smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC(C)(C)c1cc(OC(=O)c2ccccc2Br)ccc1O 364284 GUQWABLRUZCVLI-UHFFFAOYSA-N 349.224 4.671 0 40 EJAB C[C@]12C[C@H](NC(=O)N1c1ccc(Cl)cc1)c1cc(Cl)ccc1O2 422938 PYUJBPVTJFZSPC-YOEHRIQHSA-N 349.217 4.763 0 40 EJAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(F)cc1 492095 FTADFDWMQQCTNK-VIFPVBQESA-N 328.170 4.539 0 40 EJAB O=c1oc2cc(Cl)ccc2n1CSc1nc2ccccc2s1 499929 OICMGNHGKFDEQY-UHFFFAOYSA-N 348.836 4.607 0 40 EJAB Cc1ccccc1C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 557978 IDMOHLUXLDDMSN-UHFFFAOYSA-N 348.368 4.866 0 40 EJAB Cc1ccc2c(CC(=O)Nc3nc4ccc(F)cc4s3)coc2c1 3528544 XMXHLIVQFCXHPB-UHFFFAOYSA-N 340.379 4.671 0 40 EJAB Cc1ccc(C2=NN(C(=O)c3cccc(C)c3)[C@H](c3ccco3)C2)cc1 4306631 XRZKWLCRJCUPJE-FQEVSTJZSA-N 344.414 4.888 0 40 EJAB COc1cccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c1 4672224 DNAYWGBXBZCHGC-UHFFFAOYSA-N 333.387 4.527 0 40 EJAB COc1ccc(OCCCC(=O)Nc2c(C)cccc2C(C)C)cc1 5815614 JJOAKEZPXGPOIS-UHFFFAOYSA-N 341.451 4.925 0 40 EJAB CC(=O)O[C@@H]1CCC2=C(C[C@H](F)C[C@@H]3[C@@H]2CC[C@@]2(C)C(=O)CC[C@H]32)C1 5976330 IGRWPBROGNPQRG-NSAONFOLSA-N 348.458 4.542 0 40 EJAB COc1cc(/C=C(\Cl)c2nc3ccccc3s2)cc(OC)c1O 7907711 HIVVWTAFNYKAIG-XFFZJAGNSA-N 347.823 4.756 0 40 EJAB Cc1[nH]c2ccc(C(=O)OCC(=O)c3cc4ccccc4o3)cc2c1C 7987270 WOGXGWCOJYCFFI-UHFFFAOYSA-N 347.370 4.571 0 40 EJAB Cc1cc(C)nc(SCc2ccccc2C(=O)Nc2ccccc2)n1 8724721 CZJUPLQCNXKJJJ-UHFFFAOYSA-N 349.459 4.638 0 40 EJAB COc1ccc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 10022871 HTYHVRTVUSXJGI-UHFFFAOYSA-N 342.247 4.733 0 40 EJAB Cc1c(C(=O)N[C@H](C)c2cccnc2)oc2c1ccc1ccccc12 12534025 ZFMYYWAXXAFVJD-CQSZACIVSA-N 330.387 4.780 0 40 EJAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccccc1Br 14013458 YVCJNSMZVMPHEZ-MRXNPFEDSA-N 348.240 4.554 0 40 EJAB CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(-c2nccs2)cc1 14576018 OZNCAXJIURFOSQ-KRWDZBQOSA-N 338.432 4.606 0 40 EJAB COc1ccccc1CN(C)C(=O)/C=C/c1ccc(C(C)(C)C)cc1 20454924 NMEMDJQULQMGCU-NTCAYCPXSA-N 337.463 4.665 0 40 EJAB COc1ccc2[nH]c(SCc3ncc(C)c(Cl)c3C)nc2c1 22056162 UPVARCHBWKDWRW-UHFFFAOYSA-N 333.844 4.529 0 40 EJAB in-vitro CCOc1ccc(C(=O)[C@H](CN2CCCCC2)c2ccccc2)cc1 26505666 FPRLACCGUGAOCA-OAQYLSRUSA-N 337.463 4.538 0 40 EJAB CC(C)c1ccccc1O[C@@H](C)C(=O)N[C@H](C)CCc1ccccc1 30848388 CVCVXENVGHVSIY-MSOLQXFVSA-N 339.479 4.715 0 40 EJAB Brc1ccc(CNCc2cccc3ccccc23)cc1 34467528 YVUJZZPGVIMFPD-UHFFFAOYSA-N 326.237 4.892 0 40 EJAB O=C(CN(C1=NCCCCC1)C1CCCCC1)c1ccc(F)cc1 41104947 ZIAFUYYCXHUIRH-UHFFFAOYSA-N 330.447 4.616 0 40 EJAB O=C(Nc1cccc2cnccc12)N[C@@H]1CCSc2ccccc21 53962558 PKJPDIQLFSHGPO-QGZVFWFLSA-N 335.432 4.593 0 40 EJAB CCc1nnc([C@@H](C)Nc2ccc(OCc3ccco3)c(Cl)c2)o1 95404404 QAEUYEDOHYVNRZ-LLVKDONJSA-N 347.802 4.631 0 40 EJAB CC[C@@H](C)Sc1ccc(NC(=O)N[C@H](C)c2ccon2)c(C)c1 96004124 QIWBKQIXOWNPLG-CHWSQXEVSA-N 333.457 4.756 0 40 EJAB CCCOc1ccc(C(=O)N[C@@H](CC)c2ccc(C)c(C)c2)cc1 218982970 SAOLAFOIDYHLLJ-FQEVSTJZSA-N 325.452 4.973 0 40 EJAB O=C(c1ccc(Cl)s1)N1CCS[C@H](c2cccs2)CC1 219503896 KQKCYAPLKLUAFP-NSHDSACASA-N 343.926 4.783 0 40 EJAB O=C(CCc1ccc(Cl)cc1)Nc1ccc(C(F)(F)F)cc1 225304890 KYWUUYQHGDCNRR-UHFFFAOYSA-N 327.733 4.930 0 40 EJAB CCOc1ccc(NC(=O)C(Cl)(Cl)Cl)c2ccccc12 225784398 ZRZXSPDSJAFJQD-UHFFFAOYSA-N 332.614 4.547 0 40 EJAB Cc1cc(C)cc(NC(=O)c2ccccc2Nc2nc(C)cc(C)n2)c1 225917450 QQAKKXIZZSWWSO-UHFFFAOYSA-N 346.434 4.706 0 40 EJAB COc1cc2ccccc2cc1C(=O)Nc1c(C)cc(N)cc1Cl 227144938 VVIWPOPBBYLZPH-UHFFFAOYSA-N 340.810 4.645 0 40 EJAB O=C(c1cc2sccc2[nH]1)N1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 552961893 VNLMQVHDJNYNNH-RKVPGOIHSA-N 336.460 4.638 0 40 EJAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)NCCCCc1ccccc1 2114642 UFEPNEWHLXASRP-MRXNPFEDSA-N 345.870 4.555 0 40 EJAB O=C(c1cccc(CN2CC=CC2)c1)c1cccc(Cl)c1Cl 2515415 NMVVPXWVALWAPB-UHFFFAOYSA-N 332.230 4.596 0 40 EJAB COc1ccc(-c2nnc(SC(F)F)n2-c2ccc(C)cc2)cc1 2637170 QMIVCCUMUTXQLE-UHFFFAOYSA-N 347.390 4.566 0 40 EJAB CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccccc2)N3)C1 5274710 FCPFDXUBFKRDPZ-CXAGYDPISA-N 340.492 4.753 0 40 EJAB c1c2c(cc3c1OCO3)-c1cc(C34CC5CC(CC(C5)C3)C4)cn1CC2 5348470 CGVMKGCLUQCGPO-UHFFFAOYSA-N 347.458 4.908 0 40 EJAB Cc1cc(Cl)nc(Cl)c1C(=O)Nc1ccccc1C(F)(F)F 6668353 QJWIBXRAIKEYSJ-UHFFFAOYSA-N 349.139 4.968 0 40 EJAB O=C(CSc1cc(F)ccc1F)Nc1cccc(C(F)(F)F)c1 8938706 DBFYLKGZGUIUFE-UHFFFAOYSA-N 347.308 4.714 0 40 EJAB O=C(O)c1csc(-c2ccc(Oc3ccc(Cl)cc3)cc2)n1 11862348 VLONBJXZPSYHFQ-UHFFFAOYSA-N 331.780 4.954 0 40 EJAB CCCCc1ccc(NC(=S)NCCCc2ccccc2)cc1 13817331 ATEDYCNCKVOWKB-UHFFFAOYSA-N 326.509 4.948 0 40 EJAB c1ccc(C(NCc2nc(-c3cccs3)no2)c2ccccc2)cc1 14169559 FQUCNGSOLPXNSE-UHFFFAOYSA-N 347.443 4.677 0 40 EJAB Cc1ccc(OCCS[C@H](C)C(=O)Nc2ccccc2Cl)cc1 15492211 QYIKRUKPMOEHKZ-CQSZACIVSA-N 349.883 4.788 0 40 EJAB Cc1cccc(NC(=O)CSc2nc3ccc(Cl)cc3[nH]2)c1C 18227693 UPSMEXGDSFSTLU-UHFFFAOYSA-N 345.855 4.564 0 40 EJAB CCOCCOc1ccccc1CNc1ccc(O[C@@H](C)CC)cc1 19737541 MDONHRXVIJFUOV-KRWDZBQOSA-N 343.467 4.891 0 40 EJAB CC[C@H](Oc1ccccc1Cl)C(=O)N[C@H](C)CCc1ccccc1 20482032 SKDXSQXRCGCPFN-QAPCUYQASA-N 345.870 4.635 0 40 EJAB Brc1ccc(-c2csc(NCc3ccco3)n2)s1 21224873 UXKYRQNVEDUTRR-UHFFFAOYSA-N 341.255 4.839 0 40 EJAB CC(C)c1ccc(NC(=O)c2cnn(-c3ccccn3)c2C(C)C)cc1 32815129 LYAQMFFMTGVNAS-UHFFFAOYSA-N 348.450 4.766 0 40 EJAB Cc1ccc(OCC(=O)Nc2ccc3[nH]c4ccccc4c3c2)cc1 44781764 HIEVPNQZBAEVAW-UHFFFAOYSA-N 330.387 4.647 0 40 EJAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(F)cc1F 44842618 HQJBSRDWTRBPNG-SFHVURJKSA-N 341.357 4.914 0 40 EJAB CCc1cccc(NC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)c1 57412466 DDPZGTQHENDXFV-UHFFFAOYSA-N 325.799 4.545 0 40 EJAB CC[C@H](Oc1ccc(C)cc1)C(=O)N[C@@H](C)c1ccc(C)c(C)c1 59351299 WKFXRRSRCZPGOP-PXNSSMCTSA-N 325.452 4.647 0 40 EJAB CC(C)[C@@H](Sc1ncccc1Cl)C(=O)NC1CCCCCC1 84409085 YCEHUQMTUWMHDB-OAHLLOKOSA-N 340.920 4.691 0 40 EJAB CC[C@@H](C)Sc1nnc(COc2ccc(Cl)cc2Cl)o1 133301184 QXVUCHNNTLXARK-MRVPVSSYSA-N 333.240 4.846 0 40 EJAB COC(=O)/C=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1 216889762 YHCMXXXOFKTEMF-VQHVLOKHSA-N 337.202 4.759 0 40 EJAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(C)cc1 222912615 ATVMXSYPQWLIAC-FQEVSTJZSA-N 339.479 4.766 0 40 EJAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)N[C@@H](C)CCc1ccccc1 222961270 QBTDCXXFDRTRPB-AZUAARDMSA-N 339.479 4.598 0 40 EJAB Cc1ccc(NC(=O)COc2cccc3c2CCCC3)cc1Cl 224746071 RTMVIFQHWOHBCN-UHFFFAOYSA-N 329.827 4.545 0 40 EJAB O=C(Cc1ccccc1Cl)NCCCc1cccc2ccccc12 225442219 WNXRBMRBQAGUJY-UHFFFAOYSA-N 337.850 4.785 0 40 EJAB CCOc1c(C)cc(NC(=O)[C@@]2(OCC)CCC[C@H](C)C2)cc1C 225717953 IKAQHDQGGLGVDM-VBKZILBWSA-N 333.472 4.626 0 40 EJAB Cc1cccc(CSCCNC(=O)[C@H](C)Sc2ccccc2)c1 408925263 LPIUYJXCEUBSPW-INIZCTEOSA-N 345.533 4.525 0 40 EJAB Cc1cccc(CSc2nnc(C)n2-c2ccc(Cl)cc2)c1 409092805 ZEHSTYFTGLVSKH-UHFFFAOYSA-N 329.856 4.830 0 40 EJAB O=C(N[C@@H]1CCC(F)(F)C1)[C@H](c1ccccc1)c1ccc(Cl)cc1 612490025 BAPKSJAIOVKUOG-IAGOWNOFSA-N 349.808 4.776 0 40 EJAB O=S(=O)(Nc1ccccc1Cl)c1ccc(-c2ccccc2)cc1 482405 RGNSUDSOJLTOPT-UHFFFAOYSA-N 343.835 4.808 0 40 EJAB O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1c[nH]c2ccccc12 5299948 XRBSVCFHAKHSNU-UHFFFAOYSA-N 335.285 4.711 0 40 EJAB Ic1ccccc1-c1nc2ccccc2s1 5584356 TYDYIQWUXXEFRH-UHFFFAOYSA-N 337.185 4.568 0 40 EJAB CCCN1C(=O)S[C@H](Cc2cc(C(C)C)c(OCC)cc2C)C1=O 6879247 SLDZKRBGHXMUCU-QGZVFWFLSA-N 349.496 4.534 0 40 EJAB O=C(COc1ccc(Cl)c2cccnc12)Nc1cccc(Cl)c1 7612369 PFVVWWOBLFCEBP-UHFFFAOYSA-N 347.201 4.559 0 40 EJAB Cc1ccc(F)cc1NC(=O)Cc1csc(-c2ccsc2)n1 8122910 QLJLORVZLWGUEC-UHFFFAOYSA-N 332.425 4.500 0 40 EJAB COc1cccc(-c2nc(-c3ccc(NC(C)=O)cc3)c(C)s2)c1 8225514 YGGFZAGFFLTKQU-UHFFFAOYSA-N 338.432 4.753 0 40 EJAB CCOc1cc(CNC23CC4CC(CC(C4)C2)C3)cc(Cl)c1OC 8253643 UGNCWZANQVQPHE-UHFFFAOYSA-N 349.902 4.806 0 40 EJAB O=C(Nc1nc(-c2c[nH]c3ccccc23)cs1)c1cccs1 9724334 QPGBIRLHLAACRP-UHFFFAOYSA-N 325.418 4.605 0 40 EJAB Cn1ccnc1Sc1ccc(NC(=O)c2cc3ccccc3o2)cc1 10424087 JOXZKMBJGOILSI-UHFFFAOYSA-N 349.415 4.570 0 40 EJAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1cccc(OC(C)C)c1 10715487 WQZODHBMXZVDOF-LJQANCHMSA-N 327.424 4.578 0 40 EJAB O=C(Cc1ccc(C(F)(F)F)cc1)Nc1ccc(F)cc1Cl 12606944 FYDWTHHJSIMLNR-UHFFFAOYSA-N 331.696 4.679 0 40 EJAB Fc1ccc(CSc2nc(Cc3cccs3)n[nH]2)c(Cl)c1 13001909 QMMKVHPPUHPKMT-UHFFFAOYSA-N 339.848 4.542 0 40 EJAB COc1ccccc1NC(=O)c1ccccc1SCc1ccco1 14021929 FVYZDCIZQFXIRZ-UHFFFAOYSA-N 339.416 4.833 0 40 EJAB C[C@H](Sc1ccc(Cl)cc1)C(=O)NC[C@H](C)c1ccccc1 15377098 AIQREUHYICVUCU-KBPBESRZSA-N 333.884 4.741 0 40 EJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(OC)c(Cl)c1 20039267 NDEZUMZYJAVDNE-QGZVFWFLSA-N 347.842 4.762 0 40 EJAB COc1ccc(CN[C@@H](C)c2ccc(Cl)c(Cl)c2)cc1O 21021041 GZBFVTXYOMABGN-JTQLQIEISA-N 326.223 4.558 0 40 EJAB COc1ccccc1[C@@H](C)N(C)C(=O)/C=C/c1cc2ccccc2o1 25111809 BRUOQYZGBNDWSV-RDRICISKSA-N 335.403 4.674 0 40 EJAB Cc1ccc(Cl)cc1NC(=O)c1c(C)noc1-c1ccccc1 35671403 ARYQAZCYFJMLOP-UHFFFAOYSA-N 326.783 4.864 0 40 EJAB Cc1cc(Br)cc(C)c1NC(=S)NCc1ccccc1 44195223 OADGJOPNZJZGHT-UHFFFAOYSA-N 349.297 4.553 0 40 EJAB O=C(Nc1ccc(F)c(F)c1)c1cc(-c2cccc3ccccc23)[nH]n1 44838127 JNRUZFHWHHAYOJ-UHFFFAOYSA-N 349.340 4.760 0 40 EJAB CC[C@H](C)Nc1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)cn1 72213556 GLABRFUAESHSMK-GOEBONIOSA-N 333.476 4.754 0 40 EJAB CC1=Nc2c(c(C)nn2Cc2ccccc2)[C@@H](c2cccc(O)c2)S1 72405836 KZEXZDOQQYBOCP-LJQANCHMSA-N 349.459 4.832 0 40 EJAB Cc1cc(C)c(NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)c(C)c1 96586390 QQJXLPUQFAVRAT-KRWDZBQOSA-N 337.463 4.897 0 40 EJAB Clc1ccc([C@H]2C=C(c3cccs3)Nc3ncnn32)c(Cl)c1 100869402 JHESJJFLYSTSQW-CYBMUJFWSA-N 349.246 4.702 0 40 EJAB Fc1ccc(-c2nc3cc(Br)cc(Cl)c3[nH]2)cc1 216914717 VTAXOCPFLATPHY-UHFFFAOYSA-N 325.568 4.785 0 40 EJAB C[C@H](NC(=O)CCc1ccc(Cl)cc1)c1ccc2c(c1)CCC2 223256270 JQAUCVYGJNOESA-AWEZNQCLSA-N 327.855 4.639 0 40 EJAB Cc1cc(C)c(C(=O)NCCOc2ccccc2C(C)C)cc1C 223837907 DDSCAEQGMGUXGT-UHFFFAOYSA-N 325.452 4.544 0 40 EJAB Cc1cccc(NC(=S)NC2(CCc3ccccc3)CCCC2)n1 225873209 LTTMFTREQKTCCC-UHFFFAOYSA-N 339.508 4.622 0 40 EJAB Cc1ccc(C2(C(=O)Nc3cc(-c4ccccc4)on3)CCC2)cc1 1654335239 IZSBUSICOUVYPO-UHFFFAOYSA-N 332.403 4.710 0 40 EJAB CCOc1ccc([C@H]2S[C@H](C)C(=O)N2c2ccc(Cl)cc2)cc1 35028 NWFNFNKXVZAPCF-KZULUSFZSA-N 347.867 4.906 0 40 EJAB O=C(Cc1ccccc1)Nc1nc(-c2ccc(Cl)cc2)cs1 1512001 RFHKUTQYJADXTM-UHFFFAOYSA-N 328.824 4.645 0 40 EJAB CN(C(=O)CCCOc1ccc(Cl)cc1Cl)C1CCCCC1 1886750 FGOSBUKBKAYRFU-UHFFFAOYSA-N 344.282 4.944 0 40 EJAB BrC(Br)(c1ccccc1)c1ccccc1 2599102 HNBFCAMUUALGHT-UHFFFAOYSA-N 326.031 4.678 0 40 EJAB Cc1ccc(C(C)C)cc1OCC(=O)Nc1ccc(F)c(Cl)c1 2644367 FIKZLJUQMJMPND-UHFFFAOYSA-N 335.806 4.928 0 40 EJAB CCOC(=O)c1c(C2CC2)csc1NC(=O)Nc1cccc(C)c1 2663405 MXVPTRUFGZFWDC-UHFFFAOYSA-N 344.436 4.755 0 40 EJAB Cc1c(C(=O)OCc2ncc(-c3ccccc3)o2)oc2ccccc12 3442621 LVVGVAIUTJJRGW-UHFFFAOYSA-N 333.343 4.753 0 40 EJAB Cc1cc(C)c(S(=O)(=O)Oc2ccc(C(C)C)c(C)c2)c(C)c1 4076660 OHWJOMKJESZNFM-UHFFFAOYSA-N 332.465 4.811 0 40 EJAB Cc1cc(C)c2sc(NC(=O)c3nc4ccccc4s3)nc2c1 4264324 BVBZEIYNGIPTSZ-UHFFFAOYSA-N 339.445 4.775 0 40 EJAB CC1CCC2(CC1)N=C(c1ccc(Cl)cc1Cl)C(=S)N2 4891217 BZPSPAHBFNTLGD-UHFFFAOYSA-N 327.280 4.620 0 40 EJAB O=C(NC1CCCC1)c1cc2sccc2n1Cc1ccc(F)cc1 4971280 XAYIESMRBINYET-UHFFFAOYSA-N 342.439 4.563 0 40 EJAB CC(C)N[P@@](=O)(O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)c1ccccc1 5165365 ADULCGJWFWMRGU-YIKPNSEUSA-N 337.444 4.980 0 40 EJAB CSc1ccc(C(=O)Nc2nc3c(C)c(C)ccc3s2)cc1 5222843 GMKAJUZWJYORJO-UHFFFAOYSA-N 328.462 4.887 0 40 EJAB CCCCCCNc1nc2sc3c(c2c2ncnn12)[C@@H](C)CCC3 5562608 RWUIKFNUHINRLY-LBPRGKRZSA-N 343.500 4.771 0 40 EJAB O=S(=O)(Nc1ccccc1-c1ccccc1)c1ccccc1Cl 6316613 RRIXOIOFWFWMJA-UHFFFAOYSA-N 343.835 4.808 0 40 EJAB FC(F)(F)c1ccc(-c2nn3c(-c4ccccc4)nnc3s2)cc1 6787814 XFZGIJKQZYHEKB-UHFFFAOYSA-N 346.337 4.539 0 40 EJAB CCCCC(=O)Oc1cc(-c2ccccc2)c2oc(=O)sc2c1 6809655 JYJADZDKQTVYTK-UHFFFAOYSA-N 328.389 4.617 0 40 EJAB Cc1ccc(NC(=O)Cc2csc(-c3ccsc3)n2)c(F)c1 8330220 CHMLJWXDPFONGV-UHFFFAOYSA-N 332.425 4.500 0 40 EJAB COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1C 9140057 ZCAHYXQJZWDWDZ-UHFFFAOYSA-N 343.732 4.928 0 40 EJAB Cc1cc([C@H]2CCCCCN2C(=O)C23CC4CC(CC(C4)C2)C3)on1 12119654 AXSXBSIJRBJBON-IGDKPHCXSA-N 342.483 4.643 0 40 EJAB CCCCn1c([C@H]2CC(=O)N(c3ccc(C)cc3)C2)nc2ccccc21 12637202 ZNOCILUZQGYQJS-KRWDZBQOSA-N 347.462 4.665 0 40 EJAB Cc1[nH]c2ccccc2c1C(=O)CN(C)Cc1c(F)cccc1Cl 15351795 HIODMCPYWKLDSZ-UHFFFAOYSA-N 344.817 4.584 0 40 EJAB O=C(CSc1nccn1C1CCCCC1)Nc1ccc(Cl)cc1 15825413 UAZGHGJBZKAWDW-UHFFFAOYSA-N 349.887 4.773 0 40 EJAB Cn1ncc2c(SCc3sc4ccccc4c3Cl)ncnc21 21754979 WXVORFANOQORJF-UHFFFAOYSA-N 346.868 4.524 0 40 EJAB Cc1cccc(CCCNC(=O)[C@H](C)Oc2ccccc2C(C)C)c1 30854654 VAQPDBKOFIMFAC-SFHVURJKSA-N 339.479 4.635 0 40 EJAB Cc1cc(OCC(=O)N[C@H](CC(C)C)c2ccccc2)ccc1Cl 38772594 BLAMBJDOIWWTRY-LJQANCHMSA-N 345.870 4.931 0 40 EJAB Cc1ccc(-c2cc(C(=O)Nc3ccc(Cl)c(C)c3)n[nH]2)cc1 44837850 AVZALDHLPYPYCJ-UHFFFAOYSA-N 325.799 4.599 0 40 EJAB CN(C(=O)CSCc1ccc(Cl)c(Cl)c1)C1CCCC1 44885284 IJVSDGAIVVJERD-UHFFFAOYSA-N 332.296 4.628 0 40 EJAB Cc1ccc(-c2cc(-c3nc(-c4ccc(F)cc4)no3)[nH]n2)cc1C 46914248 YPFBVLWSFWUVNN-UHFFFAOYSA-N 334.354 4.550 0 40 EJAB CC(C)N1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 72215322 UOKFWWIALNJGJJ-KRWDZBQOSA-N 345.487 4.531 0 40 EJAB Cc1nnc([C@@H](C)N[C@@H](C)c2ccc(Oc3ccccc3)c(F)c2)o1 79029692 YTXZRSFELDYRJF-QWHCGFSZSA-N 341.386 4.721 0 40 EJAB Cc1n[nH]c(-c2ccccc2)c1NC(=O)c1cccc(C(F)(F)F)c1 90400074 DWYUDIRFZOHXDD-UHFFFAOYSA-N 345.324 4.656 0 40 EJAB Cc1cc(O[C@@H](Cc2cccc(Cl)c2C)C(=O)O)ccc1Cl 225071050 VKVDATQWGZYGPB-INIZCTEOSA-N 339.218 4.685 0 40 EJAB CCCOc1ccccc1CCCNC(=S)Nc1cccc(C)c1 225624156 SZBNOEMLXPJOHM-UHFFFAOYSA-N 342.508 4.703 0 40 EJAB COc1ccc([C@H](C)NC(=O)c2cc(C(C)C)c(OC)cc2C)cc1 225662986 BCKVWYWJXCRRIO-HNNXBMFYSA-N 341.451 4.627 0 40 EJAB CCCO[C@@](C)(CC)C(=O)Nc1ccc(OC(C)C)c2ncccc12 225904295 GTHCXXFBYBPHGQ-FQEVSTJZSA-N 344.455 4.556 0 40 EJAB CCc1cc(Br)cc(C)c1NC(=O)c1ccccc1C 226097255 DKDAOWAHGOSKHX-UHFFFAOYSA-N 332.241 4.881 0 40 EJAB Fc1cccc(Cc2cnc([C@@H]3CCCN3Cc3ccccc3)o2)c1 257299854 RRXUCOGSOMGOHZ-FQEVSTJZSA-N 336.410 4.742 0 40 EJAB O=C(O)c1cccc2c1N[C@H](c1ccccc1)[C@H]1Cc3ccccc3[C@@H]21 408994947 JWZCKVRWTZDHHF-PCCBWWKXSA-N 341.410 4.856 0 40 EJAB O=c1oc2ccccc2cc1C1=NC2(CCCCC2)Cc2ccccc21 99061 KOBQFTDAWUCPLS-UHFFFAOYSA-N 343.426 4.889 0 40 EJAB biogenic O=C(/C=C/c1ccco1)Nc1cccc(Cl)c1N1CCCCC1 556544 RMCHIFLDDFAQJY-MDZDMXLPSA-N 330.815 4.575 0 40 EJAB COc1ccc(C(=O)Nc2ccccc2Cc2ccccc2)c(OC)c1 3281778 XQLYJPZIAYGMSO-UHFFFAOYSA-N 347.414 4.547 0 40 EJAB Cc1c(C(=O)Nc2cccc(F)c2)oc2ccc(Br)cc12 3561825 XEAMORFFPOUFBP-UHFFFAOYSA-N 348.171 4.895 0 40 EJAB C[C@H]1CC[C@@](C)(C(=O)N(C)C(=O)[C@]2(C)CC[C@H](C)C2(C)C)C1(C)C 3846145 BHUKNCSDHSSDAL-PBFVBANWSA-N 335.532 4.896 0 40 EJAB c1ccc(-c2csc3ncnc(SC[C@H]4CCCO4)c23)cc1 6543228 KLVDSDNOCVIGEJ-CYBMUJFWSA-N 328.462 4.629 0 40 EJAB COc1ccc(Cl)cc1NC(=O)c1ccc(C(F)(F)F)cc1 6582590 ZPAGXINVYZMDIS-UHFFFAOYSA-N 329.705 4.620 0 40 EJAB Cc1cccc(NC(=S)NCc2ccc(Cl)cc2Cl)c1 7529888 RTTDXSDBVSFKOR-UHFFFAOYSA-N 325.264 4.788 0 40 EJAB COc1cccc(Nc2nn(-c3ccc(F)cc3)c(=S)s2)c1 7779940 BLZGFLFDDABVSV-UHFFFAOYSA-N 333.413 4.555 0 40 EJAB CCCCC(=O)NCc1ccc(-c2ccc(Br)cc2)o1 8071556 FHGWDHQYSFEWBQ-UHFFFAOYSA-N 336.229 4.516 0 40 EJAB Cn1cc(C(=O)N[C@@H](c2ccccc2)c2cccs2)c2ccccc21 12111231 MCELWYQNTWGAJL-FQEVSTJZSA-N 346.455 4.759 0 40 EJAB CC(C)n1ncc2cc(NC(=O)c3ccc(Cl)c(Cl)c3)cnc21 12761618 ZTSNJLVRPDCPSE-UHFFFAOYSA-N 349.221 4.571 0 40 EJAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(-c3nccs3)cc2)cc1 12977352 JXURMYSKMUNPFV-AWEZNQCLSA-N 338.432 4.525 0 40 EJAB CC(C)c1cccc(C(C)C)c1NC(=O)CCSc1nncs1 13012207 QMCITSRDZLEGJB-UHFFFAOYSA-N 349.525 4.906 0 40 EJAB Cc1ccccc1OCC(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 13632646 JAXNTRABXBGQJI-MRXNPFEDSA-N 325.452 4.549 0 40 EJAB c1ccc(COc2ccc3ccccc3c2CNC[C@@H]2CCCO2)cc1 16480621 BJHKOWYUKIGPPW-FQEVSTJZSA-N 347.458 4.687 0 40 EJAB Cc1cc(-c2nc3ccccc3[nH]2)ccc1NC(=O)c1ccc(F)cc1 20096584 MJWXFALHBONIJI-UHFFFAOYSA-N 345.377 4.930 0 40 EJAB Cc1ccc(-c2nnc(-c3nc(SC(C)C)ncc3Cl)o2)cc1 28288795 MAWGPPPGIQRVOX-UHFFFAOYSA-N 346.843 4.656 0 40 EJAB Cc1cccc(C(C)C)c1NC(=O)CN(C)[C@@H]1CCc2ccccc21 29483163 QSELXJPKDKYPSU-HXUWFJFHSA-N 336.479 4.676 0 40 EJAB Cc1ccc(Nc2nnc(SC[C@H]3CCCO3)s2)cc1Cl 40009971 YZAHOHRUJJVKEC-LLVKDONJSA-N 341.889 4.515 0 40 EJAB Cc1nnc(NC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)s1 47938927 VJWMKHSKUQCYRX-OAHLLOKOSA-N 344.484 4.513 0 40 EJAB Cc1ccc(-c2nn(CNc3cc(C)ccc3C)c(=S)o2)cc1 59475368 DRKUWNREXAOOQU-UHFFFAOYSA-N 325.437 4.867 0 40 EJAB O=C1N=C(Nc2ccc(F)c(Cl)c2)/C(=C/c2cccnc2)S1 72400789 WIQJULFPQOMGNE-MLPAPPSSSA-N 333.775 4.592 0 40 EJAB CCc1ccc([C@@H](C)NC(=O)[C@@H](CC)Oc2ccc(C)cc2)cc1 78458359 CAFJNDVVPRWQFQ-OXQOHEQNSA-N 325.452 4.592 0 40 EJAB Cc1ccc(C(=O)c2ccc(Cl)c(F)c2)cc1Br 95916270 MSTCQXOTGDHINI-UHFFFAOYSA-N 327.580 4.781 0 40 EJAB O=C(NCCCc1ccccc1)c1ccccc1OCc1ccccc1 218986559 DIDBNSHDSFBHGB-UHFFFAOYSA-N 345.442 4.628 0 40 EJAB C[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc2ccccc2c1 222794743 CZGKBSKBEJCQTL-CQSZACIVSA-N 339.822 4.577 0 40 EJAB CC[C@@H](NC(=O)Cc1cc(C)ccc1C)c1ccc2c(c1)CCCC2 223094346 HZFLZQIIMOWCNN-JOCHJYFZSA-N 335.491 4.992 0 40 EJAB CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 223219062 RQSBEHNZEHYRNO-HRAATJIYSA-N 337.463 4.519 0 40 EJAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1cc(C)c(C)cc1C 225650451 DOOHUUAWFIEMIC-IBGZPJMESA-N 337.463 4.952 0 40 EJAB CCCOC1(C(=O)Nc2ccc(OC)c(Cl)c2)CCCCCC1 225660429 CDVPRYWGRRKKQU-UHFFFAOYSA-N 339.863 4.807 0 40 EJAB CCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)cn1 225863249 GLXSMWSIDAWHAQ-UHFFFAOYSA-N 344.842 4.584 0 40 EJAB CCc1ccc(C(=O)Nc2cc(-c3ccc(C(=O)O)o3)ccc2C)cc1 226356045 PQVNHSLESKCHCB-UHFFFAOYSA-N 349.386 4.768 0 40 EJAB C[C@H](N[C@H]1CCCCc2ccccc21)c1ccc([S@](C)=O)cc1 245312414 JCBDULRIUOTXOK-RSDPBLMXSA-N 327.493 4.542 0 40 EJAB COc1ccc(-c2cc(C)nc(SCc3ccc(F)cc3)n2)cc1 409386287 RYFLDISJDDHLBX-UHFFFAOYSA-N 340.423 4.892 0 40 EJAB CCOc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1 187412 ZXJNPCPRKYVVHV-UHFFFAOYSA-N 342.395 4.600 0 40 EJAB COC(=O)c1sc2ccccc2c1NC(=O)c1ccc(C)c(C)c1 190403 JNLLESCNHZYBBP-UHFFFAOYSA-N 339.416 4.557 0 40 EJAB CC(C)CCNC(=O)c1cc2sccc2n1Cc1ccc(F)cc1 1324364 NJAPWHJHOIKQKI-UHFFFAOYSA-N 344.455 4.666 0 40 EJAB Cc1ccc(-c2nc3sc4c(N)ncnc4c3c3c2CCCC3)cc1 1384164 MSEDWRXIACSXOL-UHFFFAOYSA-N 346.459 4.676 0 40 EJAB Cc1ccc(NC(=O)CNc2ccc3c(c2)Cc2ccccc2-3)cc1 1689106 UMMLPKXNKRDXDS-UHFFFAOYSA-N 328.415 4.617 0 40 EJAB Ic1ccc(/C=C2/C=Cc3ccccc32)cc1 1702783 QWBBBEJLPJVFIO-KAMYIIQDSA-N 330.168 4.859 0 40 EJAB CC1(C)c2ccccc2C(=O)[C@@]1(Br)Cc1ccccc1 1744763 IBZBRWLTMMGQFE-SFHVURJKSA-N 329.237 4.537 0 40 EJAB CCCC[C@H](CC)COC(=O)c1ccccc1C(=O)OCC(C)C 1747954 GEWZPNMYMLQKGF-INIZCTEOSA-N 334.456 4.873 0 40 EJAB COc1ccc(CSCC(=O)Nc2ccc3ccccc3c2)cc1 3075275 BEOGYNOKRXAEDZ-UHFFFAOYSA-N 337.444 4.720 0 40 EJAB C[C@@H](CCc1ccccc1)NC(=O)CSc1ccccc1Cl 3219333 CUUAPVVRMMIXBN-AWEZNQCLSA-N 333.884 4.570 0 40 EJAB Cc1ccc(-c2nc(C)sc2C2=C(c3ccccc3)COC2=O)cc1 3287299 OFZIZVHEAXVOPA-UHFFFAOYSA-N 347.439 4.895 0 40 EJAB COc1cccc2sc(NC(=O)Nc3ccc(Cl)cc3)nc12 4071298 KQJJNDZDZOXILY-UHFFFAOYSA-N 333.800 4.602 0 40 EJAB CC[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2cccc(OC)c2)N3)C1 4545506 GWIOFSINHGOLCE-DIFFPNOSSA-N 342.464 4.701 0 40 EJAB O=S(=O)(/C=C/c1ccccc1)Nc1ccccc1Cc1ccccc1 5652555 KZFNAJLHAAYMIJ-FOCLMDBBSA-N 349.455 4.690 0 40 EJAB Cc1ccc(-c2n[nH]c(SCc3ncc(-c4ccccc4)o3)n2)cc1 5867904 TUWFRNJKDRGMSD-UHFFFAOYSA-N 348.431 4.727 0 40 EJAB Cc1s/c(=N\C(=O)c2cccs2)n(C)c1-c1ccc(Cl)cc1 8332504 OLDJBLYJGSQJFC-VLGSPTGOSA-N 348.880 4.518 0 40 EJAB CCCc1nnc2sc(C=C(c3ccccc3)c3ccccc3)nn12 8392313 IPYPYOSZXPDTTO-UHFFFAOYSA-N 346.459 4.727 0 40 EJAB Cc1cccc(N(CC(=O)c2ccc(F)cc2)C2=NCCCCC2)c1 8414541 QOFBPPGKXNWAND-UHFFFAOYSA-N 338.426 4.796 0 40 EJAB COc1ccccc1C(=O)N1c2c(OC)cccc2C(C)=CC1(C)C 10157738 OPOXDETXHFWLDU-UHFFFAOYSA-N 337.419 4.546 0 40 EJAB O=C(Nc1cccc(Cl)c1Cl)c1ccc(CN2CCCC2)cc1 10357401 FYXBPVPZHUBXCT-UHFFFAOYSA-N 349.261 4.842 0 40 EJAB CCOc1ccc(CNC(=O)CCc2ccc(C(C)(C)C)cc2)cc1 10448899 HQXXWTIFSPLWDV-UHFFFAOYSA-N 339.479 4.632 0 40 EJAB Clc1ccc(-c2cnc(CSc3nccn3C3CC3)o2)cc1 11894315 IWIPPYDYTHEPQD-UHFFFAOYSA-N 331.828 4.819 0 40 EJAB CCOc1ccccc1NC(=O)c1cc(-c2ccc(Cl)cc2)on1 11915682 FMQLHSODIZXCKA-UHFFFAOYSA-N 342.782 4.646 0 40 EJAB Cc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3)no2)cc1F 11917058 BAZGEPUOTKFQCK-UHFFFAOYSA-N 330.746 4.695 0 40 EJAB Cc1ccsc1C(=O)Nc1cc(-c2ccccc2)sc1C(=O)O 12601088 OZQZCLJAUOIKMG-UHFFFAOYSA-N 343.429 4.736 0 40 EJAB CC(C)(C(=O)NCCSc1ccc(Cl)cc1)c1ccccc1 12771294 BPAOLMBYXHGWKN-UHFFFAOYSA-N 333.884 4.526 0 40 EJAB CSc1ccccc1NC(=O)Cc1coc2cc(C)c(C)cc12 12771456 AASCSILARVOCSI-UHFFFAOYSA-N 325.433 4.953 0 40 EJAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1cccc(Br)c1 14553023 VODWPSLVNUPATJ-INIZCTEOSA-N 348.240 4.554 0 40 EJAB CCc1ccc(/C=C2\C(=O)Nc3ccc(Br)cc32)cc1 15016069 YZPWIGJYQUJUES-DHDCSXOGSA-N 328.209 4.504 0 40 EJAB COc1ccc(S[C@@H](C)C(=O)Nc2ccccc2SC)cc1 15519682 PNRTWYPNEZNVKZ-LBPRGKRZSA-N 333.478 4.536 0 40 EJAB Cc1cccc(-c2cc(Nc3cc(Cl)ccc3O)nc(C)n2)c1 15859105 XUXTXTMMKBAJBH-UHFFFAOYSA-N 325.799 4.863 0 40 EJAB O=C(Cc1cccc(F)c1)Nc1ccc(Cl)cc1C(F)(F)F 19934958 FILQYFCMSSZQGY-UHFFFAOYSA-N 331.696 4.679 0 40 EJAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N[C@@H](C)c1cc(C)ccc1C 20452629 LDSVUGXKCNMUGV-AZUAARDMSA-N 339.479 4.955 0 40 EJAB CC(C)(C)c1ccc(C(=O)Nc2ccc(Br)cc2N)cc1 20520943 OTCKJJHBFVHHMR-UHFFFAOYSA-N 347.256 4.581 0 40 EJAB Cc1ccc(Cl)cc1NC(=O)c1cc2cc(Cl)ccc2oc1=O 27529576 IHEKUDWUUVJANN-UHFFFAOYSA-N 348.185 4.661 0 40 EJAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccccc1C(C)C)c1ccccc1 44847468 LJHFBRMGRGJOND-VQIMIIECSA-N 325.452 4.845 0 40 EJAB Cc1ccc(NC(=S)Nc2ccccc2C(F)(F)F)c(F)c1 67219589 JEAIKHGAFCYLIW-UHFFFAOYSA-N 328.334 4.962 0 40 EJAB Cc1cccc(-c2cccc([C@@H]3CCCN(Cc4ccccn4)C3)n2)c1 72348919 QEGMCYJDJOFWRO-HXUWFJFHSA-N 343.474 4.832 0 40 EJAB CCc1ccc([C@@H](C)NC(=O)[C@H](CC)Oc2ccccc2C)cc1 78458345 BRBICAYWICCJOF-APWZRJJASA-N 325.452 4.592 0 40 EJAB CCN(CC)Cc1ccccc1CNc1ccnc2ccsc12 78903611 GPRPWFFTDREQLD-UHFFFAOYSA-N 325.481 4.750 0 40 EJAB O=C(NCc1ccsc1)c1cc2c(s1)-c1ccccc1CC2 89857667 LNUGZVOPDRQSNW-UHFFFAOYSA-N 325.458 4.505 0 40 EJAB CC(C)n1ccc(C[S@](=O)[C@H](C)c2ccc(Cl)c(Cl)c2)n1 95418340 PYMISHCUFFJWAX-WSVYEEACSA-N 345.295 4.781 0 40 EJAB Cc1ccc(C(=O)c2cc(F)cc(Cl)c2)cc1Br 95916214 WXALZMLGQQMJKD-UHFFFAOYSA-N 327.580 4.781 0 40 EJAB CCC1(CC)C[C@@H](NC(=O)c2cccc(OC)c2)c2ccccc2O1 223160157 OUCSSUZBTCSBQJ-GOSISDBHSA-N 339.435 4.508 0 40 EJAB COC(=O)c1ccc(CN2c3c(C)cccc3[C@@H](C)CC2(C)C)o1 223231323 GYEIASBWJWWORS-AWEZNQCLSA-N 327.424 4.667 0 40 EJAB CCc1ccc(CCC(=O)Nc2ccc(N3CCCCC3)cc2)cc1 224969109 HMOHEPDEUGHHTQ-UHFFFAOYSA-N 336.479 4.811 0 40 EJAB CC1(C)C[C@@H](NC(=O)c2ccc3c(c2)CCCC3)c2ccccc2O1 225632096 WKMJAUIWYUFHDP-LJQANCHMSA-N 335.447 4.598 0 40 EJAB CC(C)Oc1ccc(NC(=O)C(C)(C)Cc2ccc(Cl)cc2)cn1 225943380 LPAUDESKSNHDRQ-UHFFFAOYSA-N 346.858 4.730 0 40 EJAB CCC[n+]1cc(Br)cc(-c2nc3cc(C)cc(C)c3o2)c1 226774878 WBNSOMBKVMZTFQ-UHFFFAOYSA-N 346.248 4.572 0 40 EJAB O=C(c1ccc(C(F)(F)F)cc1Cl)C(F)(F)Br 575361463 HLLHVCBKGWLPPT-UHFFFAOYSA-N 337.469 4.529 0 40 EJAB C[C@H]1Cc2nn(-c3ccccc3)c(-c3ccc(F)cc3)c2C(=O)[C@@H]1C 106066 XJEHDQSJBHXWSJ-UONOGXRCSA-N 334.394 4.689 0 40 EJAB Cc1ccc(N2COc3ccc(Br)cc3C2)cc1Cl 539320 OWKXKCGVIHKUQB-UHFFFAOYSA-N 338.632 4.767 0 40 EJAB CCc1c(C)c2ccc(OCc3ccc(Cl)cc3)cc2oc1=O 2358394 KCRVNVFOUBYELF-UHFFFAOYSA-N 328.795 4.896 0 40 EJAB O=C(/C=C/c1ncc(C(F)(F)F)cc1Cl)OCc1ccccc1 3133845 QQFAEOWNLJZHKN-VOTSOKGWSA-N 341.716 4.510 0 40 EJAB Cc1cnc(NC(=O)CCCOc2ccc(Cl)cc2Cl)s1 3355518 IQUTZUCOXNCOAH-UHFFFAOYSA-N 345.251 4.556 0 40 EJAB COc1ccc(Cl)cc1NC(=O)[C@H](C)SCc1ccccc1 3532191 UCHQZPLMEVIEPR-LBPRGKRZSA-N 335.856 4.609 0 40 EJAB COc1ccc(CNCC[C@H](CCC(C)C)c2ccco2)cc1OC 4084395 NBBCJJMEMKWYAC-SFHVURJKSA-N 345.483 4.997 0 40 EJAB biogenic O=C(Nc1nc2c(s1)CCCC2)c1c(Cl)cccc1Cl 4558820 SFJJSVPHHYFZKN-UHFFFAOYSA-N 327.236 4.581 0 40 EJAB COc1ccc(C(=O)CSc2nc3cc(C)ccc3[nH]2)cc1Cl 5179693 NWOMYGKRKKMBMS-UHFFFAOYSA-N 346.839 4.508 0 40 EJAB O=C1c2ccccc2N[C@@H](c2cccnc2)N1c1ccc(Cl)cc1 7884579 NQTKEWOSKCTMEA-GOSISDBHSA-N 335.794 4.506 0 40 EJAB Cc1cccc(Nc2nc(C)c3c(n2)C[C@H](c2cccs2)CC3=O)c1 10156882 YWKIKMHAZXDGRF-AWEZNQCLSA-N 349.459 4.811 0 40 EJAB COc1ccc(CCC(=O)Nc2c(C)cc(C)cc2Cl)cc1OC 12552939 QIPGGTQYXOQUJP-UHFFFAOYSA-N 347.842 4.545 0 40 EJAB CCN(Cc1ccccc1)C(=O)c1sc(-c2cccs2)nc1C 12902317 GYCWPVMHRKWOET-UHFFFAOYSA-N 342.489 4.842 0 40 EJAB C[C@H]1c2ccsc2CCN1Cc1nnc(-c2ccccc2Cl)o1 16420790 JABUESSGZTZCHY-NSHDSACASA-N 345.855 4.571 0 40 EJAB O=C(NCCCn1c2ccccc2c2ccccc21)c1ccccc1 20436085 XAXJUFPXCAULGW-UHFFFAOYSA-N 328.415 4.615 0 40 EJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@H](C)c1cc(C)ccc1C 20485679 SCUDJCRMKMYVSK-QUCCMNQESA-N 339.479 4.955 0 40 EJAB O=C(Nc1ccc(-c2cnc(C3CC3)o2)cc1)c1ccc(F)cc1F 25929618 SOOPXBFAKVKNID-UHFFFAOYSA-N 340.329 4.750 0 40 EJAB Cn1c(SCc2ccc(C(C)(C)C)cc2)nc2ccsc2c1=O 26102674 JQWWGNRCSACXMC-UHFFFAOYSA-N 344.505 4.585 0 40 EJAB Cc1[nH]c2ccccc2c1C(=O)Nc1cccc(CN2CCCCC2)c1 27141223 OCVLQTRKJXZKTC-UHFFFAOYSA-N 347.462 4.715 0 40 EJAB O=C(Nc1ccc(N2CCCCC2)cc1)c1cc2cc(F)ccc2[nH]1 29993273 XEVOORCHGQAXCS-UHFFFAOYSA-N 337.398 4.550 0 40 EJAB Cc1ccc(C(=O)NCCSCc2ccc(Cl)cc2)c(C)c1 32341470 UZVQWZUXGQCVTG-UHFFFAOYSA-N 333.884 4.620 0 40 EJAB COc1ccc2cc([C@@H](C)C(=O)Nc3cc(F)cc(F)c3)ccc2c1 32842525 GYCZLCMPEXFRET-GFCCVEGCSA-N 341.357 4.869 0 40 EJAB O=C(Cc1cccs1)N[C@H](c1ccccc1)c1cc2ccccc2o1 36625812 ACFLIOLESQQZNW-OAQYLSRUSA-N 347.439 4.943 0 40 EJAB COc1ccc2c(c1)c(-c1ccc(C(C)C)cc1)nc(=O)n2C(C)C 45355718 FGKAKPPMUXXDDV-UHFFFAOYSA-N 336.435 4.776 0 40 EJAB CC(C)(C)c1cc(NC(=O)c2ccccc2)n(-c2ccc(F)cc2)n1 48333179 HAEKZYAMOJHFHZ-UHFFFAOYSA-N 337.398 4.561 0 40 EJAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)N[C@H](C)c1ccc(F)c(F)c1 57293364 BTVBIDFWUVAWBZ-YPMHNXCESA-N 342.389 4.677 0 40 EJAB O=C(Nc1ccc(Cl)cc1)N[C@H](c1ccccc1)c1ccco1 58014498 MUSIUWFWPYAXBR-QGZVFWFLSA-N 326.783 4.844 0 40 EJAB Cc1cccc2c1N[C@@H](c1ccc(-c3cccs3)cc1F)NC2=O 70019396 IGFCZCNBCJLMSF-GOSISDBHSA-N 338.407 4.717 0 40 EJAB COc1cccc([C@@H](C)N2CCC[C@H](c3nc4ccccc4o3)C2)c1 72309101 ZUJHOXBTSAZDJK-WBVHZDCISA-N 336.435 4.777 0 40 EJAB Cc1nc(-c2ccccc2)ncc1C(=O)Nc1ccc(C(C)C)cc1 75437339 QKMFLSNLMXOQGG-UHFFFAOYSA-N 331.419 4.828 0 40 EJAB O=C(Nc1cccc(C2SCCCS2)c1)[C@@H]1C[C@@H]1c1ccco1 95381713 JIUZKCXZMLZPBV-LSDHHAIUSA-N 345.489 4.891 0 40 EJAB Cc1ccc(Cl)cc1NC(=O)COc1ccc2c(c1)CCCC2 96586362 GKYGZGYVPLUUKQ-UHFFFAOYSA-N 329.827 4.545 0 40 EJAB CCC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118924234 ZOENOTDRHSJUPM-SPHVDITISA-N 346.511 4.632 0 40 EJAB CCC1(CC)C[C@H](NC(=O)Cc2ccc(F)cc2)c2ccccc2O1 222601811 UKNRWVJQTRRENP-SFHVURJKSA-N 341.426 4.567 0 40 EJAB Cc1ccc(CCC(=O)NCCOc2cccc3ccccc23)cc1C 223573666 YURIPEPEBVBISK-UHFFFAOYSA-N 347.458 4.584 0 40 EJAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NC(C)(C)Cc1ccccc1 225627711 NNVVGKTVBDRYQA-QGZVFWFLSA-N 347.458 4.745 0 40 EJAB O=C(/C=C/c1ccc(Cl)cc1Cl)NCCSC1CCCC1 225800330 UECACAHHXCAJRT-SOFGYWHQSA-N 344.307 4.799 0 40 EJAB CC(C)c1ccc(C(=O)Nc2cc(N)ccc2N2CCCCC2)cc1 226254401 MQTZIUQHLMVVAW-UHFFFAOYSA-N 337.467 4.635 0 40 EJAB O=C(CCCCCBr)c1cc(Br)cs1 382715551 JYZDQTSTKBIXDO-UHFFFAOYSA-N 340.080 4.649 0 40 EJAB C[C@@H](Nc1ccc2nc(C(F)F)sc2c1)c1nc(C2CC2)no1 390834537 BCUSUDHCDYXASL-SSDOTTSWSA-N 336.367 4.667 0 40 EJAB CC[C@H](C)N1C(=O)S/C(=C/c2cc(C(C)C)c(OC)cc2C)C1=O 409013201 MEYWFAHYUDXFSP-VZWMTCDZSA-N 347.480 4.962 0 40 EJAB CC(C)(C)c1ncc(CNCCc2c[nH]c3cc(Cl)ccc23)s1 621056134 MNJOTBVDDIZEML-UHFFFAOYSA-N 347.915 4.908 0 40 EJAB Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2ccccc2c1 38954 OKZQVVNSUDXNHI-UHFFFAOYSA-N 331.824 4.602 0 40 EJAB COc1cc(C(=O)Nc2ccccc2C(C)(C)C)ccc1OC(F)F 375157 ARMKROSABNKJPR-UHFFFAOYSA-N 349.377 4.846 0 40 EJAB CCn1c(CNc2ccc(C)cc2)nnc1SCc1ccccc1 422469 PPSROJQNLSLZBP-UHFFFAOYSA-N 338.480 4.511 0 40 EJAB Cc1cc2cc3c(cc2nc1SCC(=O)Nc1ccccc1)CCC3 1339895 GNFLDSNBUKPLGJ-UHFFFAOYSA-N 348.471 4.763 0 40 EJAB CCOCCCNc1nc(-c2ccc(Cl)cc2)nc2ccccc12 1912240 NZCFORJCTQFYBT-UHFFFAOYSA-N 341.842 4.789 0 40 EJAB FC(F)Oc1ccccc1-c1nnc(Cc2ccc(Cl)cc2)o1 2803995 QVHCLGBZINCENG-UHFFFAOYSA-N 336.725 4.582 0 40 EJAB COc1ccc(/C=C/C(=O)Nc2nc3c(Cl)cccc3s2)cc1 3236305 VYVMIOHPNCVPBC-JXMROGBWSA-N 344.823 4.610 0 40 EJAB COc1cccc(OC)c1C(=O)Oc1ccc(Cl)c2ccccc12 3301841 NKQYSMVNBABMJF-UHFFFAOYSA-N 342.778 4.730 0 40 EJAB Cc1ccc(OCCn2cc(C(=O)c3ccco3)c3ccccc32)cc1 3655961 NOILSTMKRHINNE-UHFFFAOYSA-N 345.398 4.853 0 40 EJAB Cc1ccc(Nc2c(-c3ccc(N(C)C)cc3)nc3cnccn23)cc1 3896513 FPCJFTKKTCGJJT-UHFFFAOYSA-N 343.434 4.514 0 40 EJAB CCCCOC(=O)C[C@@H](C)P(=O)(OCCCC)OCCCC 4428652 HJDFOLVWLGTEJN-OAHLLOKOSA-N 336.409 4.935 0 40 EJAB Cc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 5260162 ZPMHSIDPGHJHKI-UHFFFAOYSA-N 339.416 4.588 0 40 EJAB COc1ccc(NC(=O)c2ccccc2Cc2ccccc2)c(OC)c1 6553483 SHSNPHLHMYTDBT-UHFFFAOYSA-N 347.414 4.547 0 40 EJAB Cc1occc1-c1nnc(SCc2coc(-c3cccs3)n2)o1 7194261 ZCVLQMKMTISXQG-UHFFFAOYSA-N 345.405 4.647 0 40 EJAB COCCNc1oc2c(c1-c1ccccc1)c(=O)oc1c(C)cccc12 7636158 LIMPWADBIDDVIP-UHFFFAOYSA-N 349.386 4.573 0 40 EJAB CCOc1ccc(Br)cc1CN[C@H](C)c1ccccc1 8324596 PNPBCVGLPMFKTA-CYBMUJFWSA-N 334.257 4.699 0 40 EJAB CC(C)(C)C(=O)COC(=O)c1ccccc1NCCC1=CCCCC1 12515497 QTTVQPHGVVROSY-UHFFFAOYSA-N 343.467 4.761 0 40 EJAB Cc1ccc2c(CC(=O)N3CCC[C@H]3c3cccs3)coc2c1 12568094 YSQLULFJIYZOJC-INIZCTEOSA-N 325.433 4.709 0 40 EJAB Cc1ccc(NC(=S)NCc2ccc(Cl)cc2)cc1Cl 13789865 QBAVMYTUVWRMMS-UHFFFAOYSA-N 325.264 4.788 0 40 EJAB O=C(CSc1ccc(F)c(Cl)c1)Nc1cccc2ncccc12 14075831 IZEVXOZAEJZEGR-UHFFFAOYSA-N 346.814 4.758 0 40 EJAB O=C1C[C@H](c2nc3cc(Cl)ccc3o2)CN1c1ccc(Cl)cc1 15081930 DAZSOGYYQCRDGQ-JTQLQIEISA-N 347.201 4.655 0 40 EJAB CC(C)Oc1ccccc1-c1n[nH]c(SCc2ccccc2)n1 26505491 WNCHKETYRSWHJZ-UHFFFAOYSA-N 325.437 4.551 0 40 EJAB c1ccc([C@H](NCc2nc3ccccc3s2)c2ccccn2)cc1 26877793 FNFDTQHMJZEVSW-FQEVSTJZSA-N 331.444 4.571 0 40 EJAB Cc1cccc(/C=C(/C(=O)N2CCC[C@H](C)C2)c2cccs2)c1 29510807 DMWBNIKJSBSASB-HZGBGQKMSA-N 325.477 4.856 0 40 EJAB COc1ccc(CCS[C@@H](C)C(=O)Nc2cc(C)ccc2C)cc1 32854104 MEFXNDWOXIOKHX-INIZCTEOSA-N 343.492 4.615 0 40 EJAB COc1ccccc1NC(=O)[C@@H](C)SCc1cccc(Cl)c1 45089807 PLTJRTXIPRCHAY-GFCCVEGCSA-N 335.856 4.609 0 40 EJAB O=C(NCc1ccco1)Nc1cccc(-c2nc3ccccc3s2)c1 57769079 YAHVYKFYCOQZCE-UHFFFAOYSA-N 349.415 4.878 0 40 EJAB FC(F)(F)c1cccc(CN2CCC(OCc3ccccc3)CC2)c1 58452548 UNDPIYVEIDRRPK-UHFFFAOYSA-N 349.396 4.887 0 40 EJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H](C)c1ccc(C)c(C)c1 59351309 RNRPZWXYXCTMKM-WIYYLYMNSA-N 339.479 4.955 0 40 EJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc(C)cc1C 59351659 ZKWNYJVVGSPDHV-DNVCBOLYSA-N 345.870 4.992 0 40 EJAB CC[C@H](C)Nc1ncccc1[C@H]1CCCCN1C(=O)OC(C)(C)C 72213444 NSTFDXBOZMPHJD-GOEBONIOSA-N 333.476 4.754 0 40 EJAB CN(C(=O)c1ccc(-c2ccc(F)cc2)s1)c1ccc(Cl)cn1 76346694 PUDWUXQBYBOZJC-UHFFFAOYSA-N 346.814 4.879 0 40 EJAB CC(C)(C)OC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 83501865 RFFNYAOHCLVHST-UHFFFAOYSA-N 340.139 4.815 0 40 EJAB Fc1ccc(C2CC(Nc3ccc(-c4csnn4)cc3)C2)cc1 95457161 NOVSJQAUZTZJSV-UHFFFAOYSA-N 325.412 4.702 0 40 EJAB COc1ccc(NC(=O)C23CC4C[C@@](C)(C2)C[C@@](C)(C4)C3)cc1OC 101024209 DCSKVQIOVBCZDN-AZQQJEAVSA-N 343.467 4.639 0 40 EJAB Cc1ccccc1CNC(=O)c1cccc(OCc2ccccc2)c1 218976018 CFNJWCFWNGVWHA-UHFFFAOYSA-N 331.415 4.504 0 40 EJAB O=C(CCSCc1ccccc1)NCCCc1ccccc1Cl 218994422 CBFLJAVGTUXDNZ-UHFFFAOYSA-N 347.911 4.712 0 40 EJAB Cc1ccc(Cl)cc1C[C@@H](Oc1cccc2ccccc12)C(=O)O 225077979 OIYAVIZRBSRRDS-LJQANCHMSA-N 340.806 4.876 0 40 EJAB COc1cc(C)c(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1C(C)C 225308342 XHQCJASSGGNNMW-UHFFFAOYSA-N 347.480 4.545 0 40 EJAB COc1cccc(CCCNC(=S)Nc2ccc(C)c(Cl)c2)c1 225553175 BITIMCASFNTVGV-UHFFFAOYSA-N 348.899 4.576 0 40 EJAB CCCC[C@@](C)(OC)C(=O)Nc1ccc(OC2CCCC2)c(C)c1 225620326 VXTHHHCGULAYHX-HXUWFJFHSA-N 333.472 4.850 0 40 EJAB CC[C@H](CNC(=S)Nc1cc(C)cc(C)c1)Cc1ccccc1 225629469 BRDUVJPTVRGUIR-KRWDZBQOSA-N 326.509 4.859 0 40 EJAB CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OC)c(Cl)c1 225747927 RKNBZGGSZMBUFC-QGZVFWFLSA-N 327.852 4.663 0 40 EJAB COC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1ccccc1)N2 245297251 RTXPMZKUZAJFAX-CJBVTVNNSA-N 333.431 4.770 0 40 EJAB CCc1cc(=O)oc2cc3occ(-c4ccc(OC)c(F)c4)c3cc12 95291 ANAXUOSCQHPKQQ-UHFFFAOYSA-N 338.334 4.916 0 40 EJAB O=C(NCc1ccc(C(F)(F)F)cc1)c1ccc(Cl)c(Cl)c1 142074 XTAOGYSNUGVFHH-UHFFFAOYSA-N 348.151 4.942 0 40 EJAB O=C(Cc1ccccc1)Nc1nc(-c2ccc(Cl)s2)cs1 567854 HTLHMWOZFUANCL-UHFFFAOYSA-N 334.853 4.706 0 40 EJAB O=C(CSCc1ccccc1)Nc1c(Cl)cccc1Cl 573973 JYWXUYJQQVUBFL-UHFFFAOYSA-N 326.248 4.865 0 40 EJAB CCOc1cc2c(cc1[C@H](C)c1ccc(OC(C)C)cc1)OCO2 1583049 QJEWNCFKFZAUEU-CQSZACIVSA-N 328.408 4.753 0 40 EJAB CCO[C@@H]1c2c(C)ccc(NC(=O)Nc3ccccc3)c2OC1(C)C 3131361 GXYNSKCXSWFQIF-GOSISDBHSA-N 340.423 4.888 0 40 EJAB Oc1ccccc1-c1nnc(-c2ccccc2)c(-c2ccccc2)n1 3419287 YNJRKXVCRCMYBO-UHFFFAOYSA-N 325.371 4.578 0 40 EJAB Cc1cc(C)c(-c2nnc(NC(=O)c3ccccc3F)s2)c(C)c1 4070396 QMAHSTCVLFGTRM-UHFFFAOYSA-N 341.411 4.522 0 40 EJAB CC(=O)[C@@H](c1ccccc1)[C@@H](CC(=O)OC(C)(C)C)c1ccccc1 5379067 LLZKELCVXJGQDL-FPOVZHCZSA-N 338.447 4.875 0 40 EJAB O=C(CSc1nc2ccc(Cl)cc2[nH]1)c1ccc(Cl)s1 5827186 HHWSGSQQCIZJHM-UHFFFAOYSA-N 343.260 4.906 0 40 EJAB Cc1ccc(C(C)C)cc1OCCCCCCNC[C@@H]1CCCO1 5856616 GNRNPSDLQZAUIU-FQEVSTJZSA-N 333.516 4.826 0 40 EJAB CC(C)(C)c1csc(NC(=O)c2ccccc2C(F)(F)F)n1 5937412 DMMZWVXOZCUGOF-UHFFFAOYSA-N 328.359 4.712 0 40 EJAB COc1ccc(C)c(NC(=O)Nc2ccc(Cl)cc2Cl)c1 6301561 XHKNPQRNCBELPX-UHFFFAOYSA-N 325.195 4.954 0 40 EJAB CC(C)c1ccc(C[C@H]2SC(=O)N(Cc3ccccc3)C2=O)cc1 6346532 QHGLWOCIJHDKSW-GOSISDBHSA-N 339.460 4.617 0 40 EJAB CC(=O)Nc1ccc(SCC(=O)C23CC4CC(CC(C4)C2)C3)cc1 6514743 BCALOMZHKQUHSQ-UHFFFAOYSA-N 343.492 4.523 0 40 EJAB CCN(c1cccc2ccccc12)S(=O)(=O)/C=C/c1ccccc1 6998560 DEEAASKPCVHAGC-FOCLMDBBSA-N 337.444 4.667 0 40 EJAB O=C(c1cc(C2CC2)nc2ccccc12)N1CC[C@@H]2CCCC[C@H]2C1 8095390 DPSAIWDJHIMADS-RDJZCZTQSA-N 334.463 4.765 0 40 EJAB CC(C)Sc1ccccc1C(=O)NCCSCc1ccccc1 8492556 YFFRIYUBSUVEJS-UHFFFAOYSA-N 345.533 4.850 0 40 EJAB C[C@H](NC(=O)CCc1c[nH]c2ccccc12)c1cc2ccccc2o1 12736137 GSQJRORNBRYCID-AWEZNQCLSA-N 332.403 4.724 0 40 EJAB Cc1ccc(C)c(Nc2ncnc3c2cnn3-c2cccc(Cl)c2)c1 17026455 YCWAYUCLPRMIGU-UHFFFAOYSA-N 349.825 4.829 0 40 EJAB Cc1ccc(-c2noc(-c3cccnc3NC3CCCCC3)n2)cc1 20898169 LSXBTNGWAHSCKP-UHFFFAOYSA-N 334.423 4.852 0 40 EJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCCc1ccc(C)cc1 30861313 CJRQIVQAUGLSRK-NRFANRHFSA-N 339.479 4.518 0 40 EJAB COc1ccc2c(c1)CC[C@@H]1[C@@H]3CC[C@H](OCCF)[C@@]3(C)CC[C@@H]21 33771938 DGIIPHVYWDBDOJ-SXYSDOLCSA-N 332.459 4.906 0 40 EJAB O=C(c1cc(C2CC2)nc2ccccc12)N1CCC[C@@H](C(F)(F)F)C1 39976158 NAQKKJBPBCATSP-CYBMUJFWSA-N 348.368 4.527 0 40 EJAB CC(C)Oc1cccc(CNC(=S)Nc2ccccc2Cl)c1 44239619 QPUPNHPLAHACAZ-UHFFFAOYSA-N 334.872 4.614 0 40 EJAB CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@H](C)c1ccc(C)cc1 44849562 MODVMAMWKMOTAA-MJGOQNOKSA-N 325.452 4.647 0 40 EJAB Cc1c([C@H](C)Nc2nc3ccccc3o2)cnn1-c1ccc(F)cc1 51824358 LEJURLLPFFUNJL-LBPRGKRZSA-N 336.370 4.634 0 40 EJAB C[C@@H](c1ccco1)N(C(=O)c1csc(-c2ccccc2)n1)C1CC1 56183201 ISNPQCQXGUWGRE-ZDUSSCGKSA-N 338.432 4.769 0 40 EJAB Cc1nn(CC(C)C)c2sc(C(=O)NC3CCCCCC3)cc12 58405817 DZQHOQAZPRIUBD-UHFFFAOYSA-N 333.501 4.515 0 40 EJAB CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc2cc[nH]c2c1 71844245 JWWIYNVVGDWQOE-PZJWPPBQSA-N 332.447 4.966 0 40 EJAB CC(=O)Nc1cccc(NCc2ncc(-c3ccccc3Cl)o2)c1 80756302 WVMLMUCRYMULMA-UHFFFAOYSA-N 341.798 4.566 0 40 EJAB C[C@H](N[C@@H]1CCc2ccccc21)c1ccc(OC2CCOCC2)cc1 95419575 FOVCMWAWYAXQCN-KSFYIVLOSA-N 337.463 4.583 0 40 EJAB COc1ccc(OC)c(Cc2nc3cc(C(C)(C)C)ccc3o2)c1 199797386 ZOXPGHPOTVEWEV-UHFFFAOYSA-N 325.408 4.733 0 40 EJAB Cc1cc(C)c(C)c(OCC(=O)Nc2ccc(C(F)(F)F)cc2)c1 218966200 RTOBUJUYUKBWJQ-UHFFFAOYSA-N 337.341 4.648 0 40 EJAB COc1cc(C)c([C@@H](C)NC(=O)c2ccc(F)cc2)cc1C(C)C 223263712 LKCQKGVVOGNRQM-CQSZACIVSA-N 329.415 4.757 0 40 EJAB COc1ccc(C(=O)Nc2ccccc2SC)cc1COC(C)C 224430577 SPXVIUCHFVRQSX-UHFFFAOYSA-N 345.464 4.594 0 40 EJAB COc1ccc(C[C@H](Oc2ccccc2C(C)C)C(=O)O)cc1Cl 225123355 KDACFMMXUWPAPM-SFHVURJKSA-N 348.826 4.547 0 40 EJAB Cc1ccc(NC(=O)NCc2cccnc2-c2cccs2)cc1C 225762215 MUOJGVGLEGXGHM-UHFFFAOYSA-N 337.448 4.749 0 40 EJAB CCc1cc(Br)cc(CC)c1NC(=O)c1cccs1 226097069 KWQDHZOUAREHNG-UHFFFAOYSA-N 338.270 4.888 0 40 EJAB Cc1cccc(Oc2ccc(N3C(=O)c4ccccc4C3=O)cc2)c1 409086239 UVKBCXPZXPWNGT-UHFFFAOYSA-N 329.355 4.588 0 40 EJAB Cc1nc(-c2ccc(C(=O)N3CCC(=C(F)F)CC3)cc2)cs1 585126636 DUXLOMSJWLQIQD-UHFFFAOYSA-N 334.391 4.505 0 40 EJAB CC(C)(c1ccccc1)c1csc(NC(=O)c2ccccc2F)n1 1588113189 XVXCUTUJVNAZJC-UHFFFAOYSA-N 340.423 4.860 0 40 EJAB O=C(Cc1ccccc1Cl)NCc1cc(-c2ccsc2)cs1 1775970007 XAYADEMYWQDKSW-UHFFFAOYSA-N 347.892 4.989 0 40 EJAB Nc1c2c(nc3ccccc13)N(c1ccc(Cl)c(Cl)c1)CC2 104438 SOMPZWPMMFOZCE-UHFFFAOYSA-N 330.218 4.818 0 40 EJAB Cc1cc(C)cc(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)c1 506119 NOGPKKLOMCFWSV-UHFFFAOYSA-N 344.414 4.808 0 40 EJAB Cc1nn(-c2nc(-c3ccc(Br)cc3)cs2)c(C)c1C 1573347 ISWBNTUCGOVSEO-UHFFFAOYSA-N 348.269 4.684 0 40 EJAB COc1ccc(-n2c(-c3ccccc3)cn3c4ccccc4nc23)cc1 3205344 WZNPFESXIAQESA-UHFFFAOYSA-N 339.398 4.954 0 40 EJAB C[C@@H]1CCC[C@@H](N[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)[C@@H]1C 4546176 SFZFJLNLICHCTF-ZYOFANERSA-N 348.490 4.756 0 40 EJAB O=C(CCCc1c[nH]c2ccccc12)N1CCC[C@@H]1c1cccs1 6605815 ZZEAKTQZHYFQDW-GOSISDBHSA-N 338.476 4.916 0 40 EJAB Cc1ccc(C)c(NC(=O)[C@@H](Sc2ncccn2)c2ccccc2)c1 6910829 PWYFZJNLOPGTTM-SFHVURJKSA-N 349.459 4.566 0 40 EJAB Cc1c(C=O)c2ccccc2n1CC(=O)Nc1ccccc1C(C)C 7277525 OYDGKAVSHLXXMI-UHFFFAOYSA-N 334.419 4.524 0 40 EJAB O=C(/C=C/c1ccc2ccccc2n1)OCc1ccc(F)cc1Cl 8727013 SICCIUQLTNPIIS-MDZDMXLPSA-N 341.769 4.784 0 40 EJAB NC(=O)c1ccc(CSCc2ccc(Cl)c(Cl)c2)cc1 9584828 FNUXKIUGNACYQA-UHFFFAOYSA-N 326.248 4.526 0 40 EJAB C[C@@H](NC(=O)Nc1nc2ccccc2s1)c1cccc(Cl)c1 9958686 ZCOSMJHMTSSLPX-SNVBAGLBSA-N 331.828 4.832 0 40 EJAB COc1cccc2c1N(C(=O)c1cccc(F)c1)C(C)(C)C=C2C 10157731 WWQKHSACFMXYST-UHFFFAOYSA-N 325.383 4.677 0 40 EJAB CSc1ccc(CC(=O)Nc2nc(-c3ccccc3)cs2)cc1 10252251 XNNFUNYPFINUBQ-UHFFFAOYSA-N 340.473 4.713 0 40 EJAB O=C(CCCc1nc2ccccc2s1)Nc1ccc2c(c1)CCC2 12210601 RJCHYXAOPRFCPE-UHFFFAOYSA-N 336.460 4.746 0 40 EJAB Cc1ccc(NC(=O)Cc2cc(-c3cccs3)on2)cc1Cl 12422263 UXPBYFVYEXYVNS-UHFFFAOYSA-N 332.812 4.546 0 40 EJAB CC(C)(C)CC(=O)Nc1c(-c2ccc(F)cc2)nc2sccn12 18705664 PIHVUCLFWCWJBO-UHFFFAOYSA-N 331.416 4.577 0 40 EJAB COc1ccccc1CN[C@@H](Cc1ccsc1)c1ccc(C)cn1 19215578 LDJQBFRTEQXTJH-IBGZPJMESA-N 338.476 4.534 0 40 EJAB CC[C@@H](Oc1ccccc1[C@H](C)CC)C(=O)Nc1ccc(N)cc1C 19736780 PBVZXKRMTXAWOD-AUUYWEPGSA-N 340.467 4.887 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)CSCc2ccccc2Cl)cc1 20104661 OATCGTDOSCHTGS-CQSZACIVSA-N 333.884 4.759 0 40 EJAB CCc1ccc(Cc2nnc(SCc3ccc(F)cc3)o2)cc1 20197174 RQFQFFPYQIMHBK-UHFFFAOYSA-N 328.412 4.654 0 40 EJAB CC[C@H](NC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1)c1ccccc1 22527005 FLGMUJQMXXKFTH-QAPCUYQASA-N 345.870 4.992 0 40 EJAB O=C(c1c(F)cccc1Cl)N(Cc1ccc2[nH]ccc2c1)C1CC1 32088368 CMZQEPCVBODFPU-UHFFFAOYSA-N 342.801 4.765 0 40 EJAB CCCCC(=O)Nc1ccccc1-c1nc(-c2ccc(C)cc2)no1 33012666 IKRQVNPEMNSGRL-UHFFFAOYSA-N 335.407 4.841 0 40 EJAB Cc1ccccc1[C@H]1CCCN1C(=O)Nc1ccccc1-n1cccn1 40152283 XTXCETDHRKJZLJ-LJQANCHMSA-N 346.434 4.550 0 40 EJAB CC(C)Oc1ccc(NC(=O)c2cc(-c3ccccc3)no2)c(F)c1 52020637 WWGOJYKLHTUEBF-UHFFFAOYSA-N 340.354 4.520 0 40 EJAB CCN(c1ccc(NC(=O)Nc2ccc(OC)cc2)cc1)C(C)C 57856222 JVIXXBBBSYQGQB-UHFFFAOYSA-N 327.428 4.574 0 40 EJAB CC(C)(C)OC(=O)N1CCCC[C@@H]1c1cccnc1NC1CCC1 72213926 SUONYLRBTHOLQE-MRXNPFEDSA-N 331.460 4.508 0 40 EJAB c1ccc2c(c1)CCC[C@H]2Sc1nnc(-c2ccncc2)n1C1CC1 77900965 GMSFAFZAGZOMRH-GOSISDBHSA-N 348.475 4.845 0 40 EJAB COC(=O)c1sc2ccc(OCc3ccccc3)cc2c1Cl 95630765 WQQWWENFXLTIBB-UHFFFAOYSA-N 332.808 4.920 0 40 EJAB O=C([C@@H]1C[C@H]2C=C[C@H]1C2)N1CCCC[C@H]1c1nc2ccccc2s1 100804867 JLXWJSPPBHXNNB-MPTYRVRUSA-N 338.476 4.562 0 40 EJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccc(C)cc1 113956525 QKVNCRIFHILNSY-KSSFIOAISA-N 331.843 4.683 0 40 EJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCC1CCCCC1 224462059 YOWMHPLSBAPFBZ-FQEVSTJZSA-N 325.452 4.694 0 40 EJAB Cc1cc(C)nc(Nc2ccccc2C(=O)Nc2c(C)cccc2C)n1 225917421 ZBFOGQGFBNFBLL-UHFFFAOYSA-N 346.434 4.706 0 40 EJAB O=C(CCCOc1ccc(Cl)cc1)NC12CC3CC(CC(C3)C1)C2 408703838 ZDBZOMWPUMQCAN-UHFFFAOYSA-N 347.886 4.584 0 40 EJAB O=C(NCCc1ccc(-c2cccs2)s1)c1c(F)cccc1F 1889277224 ALCVXBDPIRALTD-UHFFFAOYSA-N 349.427 4.727 0 40 EJAB Cc1c(CN2CCC[C@@H](c3nccs3)C2)[nH]c2c(C)cccc12 2037850065 NNIZEMSVWWKODD-OAHLLOKOSA-N 325.481 4.621 0 40 EJAB CC(C)c1ccccc1OCC(=O)Nc1ccccc1Br 148554 SHTJURZGTTUZAC-UHFFFAOYSA-N 348.240 4.590 0 40 EJAB C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 364915 OAWQAZSNFIIVNT-SNVBAGLBSA-N 343.732 4.765 0 40 EJAB O=C1c2ccccc2N[C@H](c2cccc(F)c2)N1c1ccccc1F 500666 VXGZLGZQDHXXFX-IBGZPJMESA-N 336.341 4.736 0 40 EJAB Fc1ccc(-n2c(-c3cccs3)nc3nc4ccccc4nc32)cc1 510365 IYFONSIQLKIAMP-UHFFFAOYSA-N 346.390 4.836 0 40 EJAB Cc1cccc(C(C)C)c1N1COc2ccc3c(C)cc(=O)oc3c2C1 2126229 JDBYGBQSDVEHGM-UHFFFAOYSA-N 349.430 4.890 0 40 EJAB biogenic CCc1ccc(NC(=O)/C=C/c2ccc(OC(F)F)c(OC)c2)cc1 2655232 ALGGDCCBILTXQJ-YRNVUSSQSA-N 347.361 4.511 0 40 EJAB CCCCCC(=O)Nc1sc2c(c1C(=O)OC)CC[C@@H](CC)C2 2736202 OKQGJIWKKQMGTQ-GFCCVEGCSA-N 337.485 4.568 0 40 EJAB Cc1nn(-c2ccccc2)c(Sc2ccc(Cl)cc2)c1C=O 3252636 NYGPNKKEUMUDCK-UHFFFAOYSA-N 328.824 4.798 0 40 EJAB Cc1cc2c(SCC(=O)c3ccc(Cl)cc3)ncnc2s1 5017187 FCTMRQSDGNFKST-UHFFFAOYSA-N 334.853 4.628 0 40 EJAB Cc1ccc2nc([C@@H](NC(=O)c3cccc(Cl)c3)C(C)C)[nH]c2c1 5626086 KLVFSDOBGBXUFI-KRWDZBQOSA-N 341.842 4.652 0 40 EJAB Cc1sc(NC(=O)Cc2ccccc2F)nc1-c1ccc(F)cc1 6375827 MLCKYROTOKDNQD-UHFFFAOYSA-N 344.386 4.578 0 40 EJAB O=C(Nc1ccc(-c2csc(NC3CC3)n2)cc1)c1ccccc1 7644017 PZTJTYOWKDXDKQ-UHFFFAOYSA-N 335.432 4.637 0 40 EJAB Cc1ccnc(NC(=O)CSc2cccc3cccc(Cl)c23)c1 7735027 OXUDVWMTTVFUCN-UHFFFAOYSA-N 342.851 4.927 0 40 EJAB S=C(Nc1ccccc1)Nc1cccc(CCc2ccccn2)c1 8555486 VZNRTIOQRLIIDY-UHFFFAOYSA-N 333.460 4.676 0 40 EJAB Cc1cccc(-c2nnc(SCC(=O)c3c[nH]c4ccccc34)o2)c1 8734993 LRAOQZDCQXESTK-UHFFFAOYSA-N 349.415 4.501 0 40 EJAB Clc1ccc2oc(SCc3noc(-c4ccsc4)n3)nc2c1 12919586 JYZYDUCTJHCVGQ-UHFFFAOYSA-N 349.824 4.885 0 40 EJAB CCOc1cc2c(cc1NC(=O)C[C@H](C)c1ccccc1)O[C@H](C)C2 13002458 OLZUBEUCGXMDNV-LSDHHAIUSA-N 339.435 4.541 0 40 EJAB COCCOc1cccc(NCc2cc(Cl)cc(Cl)c2)c1 19737582 LLJHXIFEOPZJGK-UHFFFAOYSA-N 326.223 4.631 0 40 EJAB CC[C@H](NC(=O)CCSCc1ccccc1)c1ccc(C)cc1 20455464 STMWWBNIGZBGGU-IBGZPJMESA-N 327.493 4.886 0 40 EJAB Brc1ccc(CSc2cnc3ccccc3n2)cc1 27543674 PSJSLKMCGUTQPK-UHFFFAOYSA-N 331.238 4.685 0 40 EJAB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)c1cc(Cl)c[nH]1 32820743 CWQCONCGVPNISL-UHFFFAOYSA-N 349.217 4.854 0 40 EJAB Cc1cc(C)n(-c2cccc(NC(=O)c3ccc(Cl)cc3F)c2)n1 32915524 GSLMTJFHGJQQSG-UHFFFAOYSA-N 343.789 4.534 0 40 EJAB Cc1ccc(NC(=O)[C@H](c2ccccc2)N2C[C@@H](C)C[C@@H](C)C2)cc1 34863268 FTLSGFLBFISHGF-UEXGIBASSA-N 336.479 4.653 0 40 EJAB CCSc1ccccc1NC(=O)[C@@H](C)Oc1cccc(C)c1C 44948279 KWNARQWYGQRFAK-OAHLLOKOSA-N 329.465 4.821 0 40 EJAB COc1cc([C@H](C)NC(=O)[C@@H]2CC=CCC2)ccc1OC1CCCC1 48340050 VENLRASEXVWVPZ-JKSUJKDBSA-N 343.467 4.550 0 40 EJAB CCCn1c(SCc2ccccc2Cl)nc2ccccc2c1=O 59094191 AGWINAWXNZNIQY-UHFFFAOYSA-N 344.867 4.752 0 40 EJAB CCOc1ccccc1-c1noc(CN2CCC[C@H]2C(C)(C)CC)n1 89941989 DKHDYLXUDBXEQY-KRWDZBQOSA-N 343.471 4.536 0 40 EJAB CCOC(=O)Nc1cccc(-c2nccc3c2[nH]c2ccccc23)c1 90471344 AQDZYCQXYSAVHC-UHFFFAOYSA-N 331.375 4.952 0 40 EJAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccc(C)c(Cl)c2)c1 216333605 ZPJRMHVRDAYFLC-HNNXBMFYSA-N 331.843 4.980 0 40 EJAB O=C(/C=C/c1cccs1)N1CCS[C@@H](c2cccs2)CC1 219468566 CSDHWMXTNXQXSB-LLYBFZRZSA-N 335.519 4.530 0 40 EJAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCc1cccc2ccccc12 222873426 ITWKVIDYHYQYPH-OAQYLSRUSA-N 347.458 4.930 0 40 EJAB O=C(NCCc1ccc(F)cc1)c1ccccc1CCc1ccccc1 224279607 UGBHWAMWHAKCBA-UHFFFAOYSA-N 347.433 4.583 0 40 EJAB Cc1ccc(C)c(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)c1 224366842 ZDMOBTWIRDMSNN-UHFFFAOYSA-N 343.839 4.728 0 40 EJAB Cc1ccc(C)c(C[C@@H](Oc2ccccc2C(C)(C)C)C(=O)O)c1 225028142 KUMCSSCRLNNLHZ-LJQANCHMSA-N 326.436 4.676 0 40 EJAB CCOc1ccc(C(=O)Nc2ccc(OC(C)C)cc2)cc1OCC 225062210 INTARMPSEFRPQO-UHFFFAOYSA-N 343.423 4.524 0 40 EJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cc(C)ccc1C 225447613 IHYCVHAYDOBOAI-NRFANRHFSA-N 337.463 4.978 0 40 EJAB Fc1ccc(NC(=S)NC2(c3ccco3)CCCC2)cc1Cl 225856956 ZKTKUSIIWUQPMM-UHFFFAOYSA-N 338.835 4.828 0 40 EJAB CC(C)Cn1c(Sc2ccccn2)nnc1-c1ccc(Cl)cc1 409088326 LBMFHAXLAXTBQK-UHFFFAOYSA-N 344.871 4.801 0 40 EJAB O=C(Nc1ccc(C(=O)C2CCC2)cc1)c1cccc(C(F)F)c1F 529164765 WPOCXYVLMIBTTA-UHFFFAOYSA-N 347.336 4.998 0 40 EJAB C[C@@H](C(=O)Nc1cccc(F)c1Cl)c1cn(C)c2ccccc12 561852010 UOVNJIIKISTHNU-LLVKDONJSA-N 330.790 4.713 0 40 EJAB O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1cccnc1Cl 188056 QYBQRPYAEYPPRH-UHFFFAOYSA-N 349.777 4.796 0 40 EJAB Cc1ccc([C@H](OCCN(C)C)c2cccc(C(F)(F)F)c2)cc1 378183 RLJPEHJIOJINEG-SFHVURJKSA-N 337.385 4.681 0 40 EJAB Cc1ccc(N(C(=O)Nc2ccc(Cl)cc2)C2=NCCC2)cc1 510469 YVYUHOPUMRUHMI-UHFFFAOYSA-N 327.815 4.879 0 40 EJAB CCOc1ccc([C@](C)(CC)c2cc3c(cc2OC)OCO3)cc1 1588749 KLURAQCHGKNDDT-FQEVSTJZSA-N 328.408 4.539 0 40 EJAB O=C(Nc1ccc(Br)cc1Cl)c1ccc(F)cc1F 3431139 PTUUJQCZXKJLPW-UHFFFAOYSA-N 346.558 4.633 0 40 EJAB O=C(CCSc1ccc(Cl)cc1)NCc1ccccc1Cl 3562373 WCUJDMAXGYIZTP-UHFFFAOYSA-N 340.275 4.792 0 40 EJAB O=C(Nc1ccc(C(F)(F)F)cc1)c1ccccc1Br 3566698 IHJRGLJPMFWIJC-UHFFFAOYSA-N 344.130 4.720 0 40 EJAB CC(C)[C@H]1C[C@H]2CC[C@H]3[C@](C)(C(=O)O)CCC[C@]3(C)[C@@H]2C[C@@H]1CO 5022270 KZSCUPZZIHOXHT-KWVZFDLSSA-N 336.516 4.584 0 40 EJAB CN(Cc1nc2ccccc2s1)C(=O)c1cc2c(s1)CCCC2 5406368 NLMJOAHGGDYHSQ-UHFFFAOYSA-N 342.489 4.509 0 40 EJAB O=C(Nc1ccc(CN2CCCCC2)cc1)c1ccccc1Cl 5998254 NLADJVJMXRMBGO-UHFFFAOYSA-N 328.843 4.578 0 40 EJAB C[C@@H](Nc1nc(Cl)nc(Nc2ccc(F)cc2)n1)c1ccccc1 6176276 OGNQWCODCHUIAS-LLVKDONJSA-N 343.793 4.581 0 40 EJAB Cc1ccc(NC(=S)Nc2ccc(OC(F)(F)F)cc2)cc1 6276011 JFANVSDWJFLSME-UHFFFAOYSA-N 326.343 4.703 0 40 EJAB Cc1c(C(=O)Nc2nc3c(s2)C[C@H](C)CC3)oc2ccccc12 6995131 UWJOETCVJHFHAI-SNVBAGLBSA-N 326.421 4.575 0 40 EJAB Cc1ccc2nc(C)cc(C(=O)NC34CC5CC(CC(C5)C3)C4)c2c1 7168515 ROEWJSGZDPUUFJ-UHFFFAOYSA-N 334.463 4.550 0 40 EJAB O=C(c1cc(C2CC2)nn1-c1ccccc1)N1CCC[C@H]2CCCC[C@@H]21 7780517 IBEAOTZZIAVUMH-XLIONFOSSA-N 349.478 4.545 0 40 EJAB Cc1cc(SCc2nnc(-c3ccccc3)o2)nc2ccccc12 12970683 HDJRHOFDBIZILP-UHFFFAOYSA-N 333.416 4.886 0 40 EJAB COc1c(Cl)cc(C(=O)N(C)Cc2ccc(C)cc2)cc1Cl 21924144 FYTMCEBHKILSQI-UHFFFAOYSA-N 338.234 4.583 0 40 EJAB COc1ccc(NC(=O)CCCOc2cc(C)ccc2C)cc1Cl 28284372 LJQFATJUWVVKMH-UHFFFAOYSA-N 347.842 4.763 0 40 EJAB C[C@H](NC(=O)c1cc2ccccc2[nH]1)c1ccc(C(F)(F)F)cc1 30477668 ODLRLIUPBXUZOO-NSHDSACASA-N 332.325 4.678 0 40 EJAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1ccc2ccccc2n1 32753914 OGTNHWGHUWOXQV-AWEZNQCLSA-N 330.387 4.814 0 40 EJAB COc1ccccc1Nc1c(-c2ccccc2O)nc2cccc(C)n12 35616064 PLANAKGTOSUKAM-UHFFFAOYSA-N 345.402 4.768 0 40 EJAB Cc1ccc([C@@H](NC(=O)Nc2ccccc2F)C(F)(F)F)cc1 40153418 XKHBJDUXMLPMOG-CQSZACIVSA-N 326.293 4.559 0 40 EJAB Fc1cccc(CN(Cc2coc(-c3cccc(F)c3)n2)C2CC2)c1 40153661 YMLMQTSGJWNFLQ-UHFFFAOYSA-N 340.373 4.784 0 40 EJAB O=C(c1ccccc1C(F)(F)F)N(Cc1ccsc1)C1CC1 44446590 PYZWZOLQJQKNAS-UHFFFAOYSA-N 325.355 4.572 0 40 EJAB O=C(N[C@H]1CCOc2ccccc21)c1ccc(-c2ccccc2)cc1F 48289518 RSVCBHMAYHGGGD-FQEVSTJZSA-N 347.389 4.746 0 40 EJAB Cc1ccc(-c2nc(C)c(C(=O)NC(C3CC3)C3CC3)s2)c(C)c1 63575035 SOKHGXKPJKSMHW-UHFFFAOYSA-N 340.492 4.654 0 40 EJAB CC(C)N(Cc1ccccc1)C(=O)[C@H](C)Oc1cccc(Cl)c1 71822974 JVLIZKWNJLZCSK-HNNXBMFYSA-N 331.843 4.545 0 40 EJAB Cc1cc(NC(=O)[C@H]2C[C@H]2c2ccco2)ccc1Oc1cccnc1 84093771 ANDYBGMUYRVSHD-SJORKVTESA-N 334.375 4.518 0 40 EJAB COc1cc([C@@H](C)N[C@@H]2CCOc3ccccc32)ccc1SC 95419370 CYWWOYIAZAYJRO-CZUORRHYSA-N 329.465 4.592 0 40 EJAB CN(Cc1cccc(NCc2ccc(Cl)o2)c1)Cc1cscn1 95429083 IGHABYUJIOHSHV-UHFFFAOYSA-N 347.871 4.634 0 40 EJAB CC(C)(C)c1cn2nc(N[C@H]3CCC[C@H](C(F)(F)F)C3)sc2n1 95947947 PPRCQJVLJIJRLE-UWVGGRQHSA-N 346.422 4.621 0 40 EJAB CC[C@H](NCC(C)C)c1ccc(OCc2ccccc2)c(OC)c1 222637227 ZWOFDTZYXKXWOB-IBGZPJMESA-N 327.468 4.971 0 40 EJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1c(F)cccc1F 224233174 CXMZFBXYPIGCFK-GOSISDBHSA-N 345.389 4.640 0 40 EJAB C[C@H](NC(=O)CSCc1ccc(Cl)cc1F)c1ccccc1 224569724 KTYGNWKGOCATMC-LBPRGKRZSA-N 337.847 4.590 0 40 EJAB O=C(c1cc2ccccc2s1)N1CCC(c2ccsc2)CC1 225622561 UNGROAINFUJUAC-UHFFFAOYSA-N 327.474 4.983 0 40 EJAB O=C(Nc1ccccc1-c1ccccc1)c1ccnc(OCC2CC2)c1 253406323 UKHKABLUWIFQDZ-UHFFFAOYSA-N 344.414 4.790 0 40 EJAB CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3[C@H](CC[C@]12C)[C@@]1(C)CCC(=O)C[C@H]1C[C@H]3C 253617424 LLEADQQVTIBBHB-KWHIBQLJSA-N 346.511 4.776 0 40 EJAB CCOc1ccc(CC(=O)N2CCCC[C@@H]2CSC(C)(C)C)cc1 390830002 IAZDTRHZCANIML-QGZVFWFLSA-N 349.540 4.541 0 40 EJAB CC(=O)Nc1cc(C(=O)N[C@H](C)c2cccc3ccccc23)ccc1C 642578683 FRKJBGRUTNRSRD-OAHLLOKOSA-N 346.430 4.598 0 40 EJAB O=C(NCCc1ccc(-c2ccco2)s1)c1ccccc1Cl 2086896690 OFQHOGUEJPJWTP-UHFFFAOYSA-N 331.824 4.634 0 40 EJAB Cc1ccc(C(=O)Nc2c(-c3cccs3)nc3cc(C)ccn23)cc1 390657 LDLSGNXJXGNGND-UHFFFAOYSA-N 347.443 4.932 0 40 EJAB CCN(CC)Cc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1 568305 YHTFXRNKDSTDRV-NTEUORMPSA-N 342.870 4.834 0 40 EJAB Cc1ccc(-c2nc(C)c(CCNC(=O)CC(C)(C)C)s2)cc1 4392545 HRSVVKWOOZLLPU-UHFFFAOYSA-N 330.497 4.522 0 40 EJAB Cc1cc(/C=C\C2=[N+](C)c3ccccc3C2(C)C)c(O)c2ncccc12 4919505 UFFRGWXWWPRXTQ-UHFFFAOYSA-O 343.450 4.968 0 40 EJAB CCc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 5471119 HRDSXAOFXUCQAY-NSHDSACASA-N 338.234 4.962 0 40 EJAB Sc1ccccc1-c1nc(-c2ccccc2)nn1-c1ccccc1 5516858 YLDNPHCNEQFXHD-UHFFFAOYSA-N 329.428 4.890 0 40 EJAB COc1cc(C)c(NC(=O)c2cc(Cl)ccc2Cl)cc1OC 5616849 XIFGGWHDGSIGCS-UHFFFAOYSA-N 340.206 4.571 0 40 EJAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1Cl 5866536 HOBJBJACWDLDOS-SECBINFHSA-N 328.170 4.539 0 40 EJAB Cc1cccc(-c2n(O)c(-c3ccccc3)c(-c3ccccc3)[n+]2[O-])c1 6815978 POMXSOVGRPPYKJ-UHFFFAOYSA-N 342.398 4.668 0 40 EJAB CCOc1ccc(NC(=O)c2csc(-c3ccsc3)n2)cc1 7942834 DZFBHIZXJBQYNC-UHFFFAOYSA-N 330.434 4.523 0 40 EJAB Cc1ccc(-c2noc(CCCC(=O)Nc3cc(C)ccc3C)n2)cc1 9196475 YYKQKTVBUSJDNR-UHFFFAOYSA-N 349.434 4.623 0 40 EJAB Cc1nc(Nc2ccc(F)cc2)nc2c1C(=O)C[C@H](c1ccccc1)C2 10156642 SYWTXKMQFSADLT-OAHLLOKOSA-N 347.393 4.580 0 40 EJAB CCOc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1 11915685 SLWGCGWIMHPROW-UHFFFAOYSA-N 342.782 4.646 0 40 EJAB Cc1ccsc1-c1nnc2c3ccccc3c(-c3ccccc3)nn12 12322466 NMFYONUZOZKLLF-UHFFFAOYSA-N 342.427 4.981 0 40 EJAB CCCCCNC(=O)c1ccc(OCc2ccccc2Cl)cc1 13687738 BIWXGVYSGKUWAG-UHFFFAOYSA-N 331.843 4.839 0 40 EJAB C[C@H](Oc1ccccc1F)C(=O)Nc1ccc(SC(F)F)cc1 15330519 HDQSITMDGZHVAM-JTQLQIEISA-N 341.354 4.546 0 40 EJAB COc1ccc2cc([C@H](C)C(=O)Nc3ccccc3OC)ccc2c1 15577026 VWQSJOYKSIRVTE-AWEZNQCLSA-N 335.403 4.599 0 40 EJAB CCCCCOc1ccc(C(=O)Nc2ccc(Cl)c(N)c2)cc1 19736506 XDRXHBYEUGQUTP-UHFFFAOYSA-N 332.831 4.744 0 40 EJAB O=C(c1ccccc1Cl)N1CCC[C@H]1c1nc2ccccc2s1 23039313 VXHXWIAFIYODPD-HNNXBMFYSA-N 342.851 4.927 0 40 EJAB O=C(/C=C/c1cccc(Cl)c1)Nc1nnc(-c2ccccc2)s1 25735683 AHIAOLBALWIFOZ-MDZDMXLPSA-N 341.823 4.510 0 40 EJAB CC(C)c1noc([C@H](C)Nc2ccc3oc(C(C)(C)C)nc3c2)n1 40086315 YKFFBAVWUNFQTN-NSHDSACASA-N 328.416 4.805 0 40 EJAB O=C(Cc1ccccc1Cl)N(Cc1ccsc1)Cc1ccco1 42382014 FVESEYNHVBXPPN-UHFFFAOYSA-N 345.851 4.766 0 40 EJAB c1ccc2sc(C3CCN(c4ncnc5ccccc45)CC3)nc2c1 58304057 SGPBSSSMYRUPPK-UHFFFAOYSA-N 346.459 4.624 0 40 EJAB CC[C@H](Oc1ccc(C)cc1)C(=O)N[C@@H](C)c1cc(C)ccc1C 59351518 NBBSVZDCVQXPIE-PXNSSMCTSA-N 325.452 4.647 0 40 EJAB CC[C@H]1CCCCN1C(=O)c1cc(-c2ccco2)nc2ccccc12 65497490 CMWSIHAMOLZPFQ-HNNXBMFYSA-N 334.419 4.900 0 40 EJAB CC1=Nc2c(c(O)nn2C(C)C)[C@@H](c2ccc3ncccc3c2)S1 71285863 VNCOPXDNIAOVPB-MRXNPFEDSA-N 338.436 4.604 0 40 EJAB COc1ccc(C)c(NC(=S)Nc2cccc(C(F)(F)F)c2)c1 71761860 IYEDUADEIDDNOZ-UHFFFAOYSA-N 340.370 4.831 0 40 EJAB COc1cc(CO)c(Cl)cc1OCc1c(Cl)cccc1Cl 95095044 MAASENUAGULHGM-UHFFFAOYSA-N 347.625 4.727 0 40 EJAB CC(C)(C)OC(=O)N1CCC[C@H]1c1cc(F)cc(Br)c1 199830399 OOACMMKGHSTWJB-ZDUSSCGKSA-N 344.224 4.660 0 40 EJAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)Nc1cccc(Cl)c1 223097034 CQMRJSWUJRWPMB-CYBMUJFWSA-N 329.827 4.625 0 40 EJAB CC(C)c1cccc(NC(=O)N(C)C[C@H]2OCCc3ccccc32)c1 513934210 RKDJLJUENXVNPZ-HXUWFJFHSA-N 338.451 4.588 0 40 EJAB O=C(CSc1ccc(F)cc1)NCc1cc(-c2ccco2)cs1 1775968354 CQHGTTNUTQPMJM-UHFFFAOYSA-N 347.436 4.556 0 40 EJAB CCOc1ccccc1C(=O)Nc1nc(-c2ccc(C)cc2)cs1 35571 KIDILNSCQOEISK-UHFFFAOYSA-N 338.432 4.770 0 40 EJAB Cc1cc(-c2csc(Nc3cccc(C(=O)O)c3)n2)ccc1F 70725 MCIGPJGVEGRNPU-UHFFFAOYSA-N 328.368 4.699 0 40 EJAB Cc1ccc(C(=O)Nc2ccc(C(=O)Nc3cccc(C)c3)cc2)cc1 365508 JVDBZDGMXFWJJL-UHFFFAOYSA-N 344.414 4.808 0 40 EJAB COc1ccc2oc([C@H](O)c3c(C)oc4ccc(OC)cc34)cc2c1 978295 HYMWUQDJKXBZTL-FQEVSTJZSA-N 338.359 4.586 0 40 EJAB biogenic Cn1nc(-c2ccccc2)c(C(=O)Nc2ccc(Cl)cc2)c1Cl 1389107 SIDDBZBJXDCUBA-UHFFFAOYSA-N 346.217 4.646 0 40 EJAB aggregator COC(=O)c1cc(-c2ccccc2)nc2c(Cl)cc(Cl)cc12 1671653 DNDILDINWZQPRI-UHFFFAOYSA-N 332.186 4.995 0 40 EJAB Cc1cc(=O)n([C@@H](C)Cc2ccccc2)n1[C@H](C)Cc1ccccc1 1710583 WSNZBSJULJWCGD-MSOLQXFVSA-N 334.463 4.566 0 40 EJAB O=C(NCCOc1cccc2ccccc12)Nc1cccc(Cl)c1 2553843 QNJRYUBNGWZAKZ-UHFFFAOYSA-N 340.810 4.694 0 40 EJAB CC(=O)c1cccc(NC(=O)COc2ccccc2-c2ccccc2)c1 3451569 IQSGMCOURSMTDE-UHFFFAOYSA-N 345.398 4.574 0 40 EJAB COc1ccccc1[C@@H](C)NC(=O)C(c1ccccc1)c1ccccc1 3486873 UIBAGOQDCZGSRF-QGZVFWFLSA-N 345.442 4.705 0 40 EJAB O=C(COC(=O)c1c(Cl)cccc1Cl)c1ccc(Cl)s1 3530427 GCRXXCNLIARLLQ-UHFFFAOYSA-N 349.622 4.748 0 40 EJAB COc1cccc2sc(Nc3nc4c(F)cccc4s3)nc12 4137652 BOXPKVCNVBPZOL-UHFFFAOYSA-N 331.397 4.797 0 40 EJAB CCn1c2ccc(Br)cc2c2cc(NC(C)=O)ccc21 5126672 MDAUVHHFHNVVOP-UHFFFAOYSA-N 331.213 4.535 0 40 EJAB CCOc1ccccc1NC(=O)[C@@H](CC)Oc1ccc(Cl)cc1 8495974 UDOIMYGVKOEERD-MRXNPFEDSA-N 333.815 4.535 0 40 EJAB CN(C)c1ccc(C(=O)Nc2ccc3c(c2)-c2ccccc2C3)cc1 12555049 WOHDXIYHXOQPNH-UHFFFAOYSA-N 328.415 4.576 0 40 EJAB CCc1cccc(CC)c1NC(=O)CSCc1ccc(C)cc1 14181293 PDJAHEMFSFPODF-UHFFFAOYSA-N 327.493 4.992 0 40 EJAB CCOc1ccc(NC(=O)C2=Cc3cc(Cl)ccc3OC=C2)cc1 15838539 MBGIHNSVKNAYNA-UHFFFAOYSA-N 341.794 4.667 0 40 EJAB C[C@@H]1Cc2ccccc2N1C(=O)C12C[C@@H]3C[C@@H](CC(Cl)(C3)C1)C2 16022890 RPGLWNQAGYWZSU-RQBCQMOYSA-N 329.871 4.542 0 40 EJAB Fc1ccccc1CCNCc1ccc(OCc2ccccc2)cc1 16480424 GRMDJEMDVKLMGI-UHFFFAOYSA-N 335.422 4.737 0 40 EJAB Fc1cccc(Cl)c1CSc1nnc(-c2cccs2)o1 19809929 CJKCJKNYQHRIJG-UHFFFAOYSA-N 326.805 4.883 0 40 EJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)c1ccc(C)cc1C 20112575 HEDDFWWFMRCTGS-KXBFYZLASA-N 345.870 4.992 0 40 EJAB CC[C@@H](NC(=S)Nc1ccc(Cl)cc1)c1ccc(OC)cc1 20624993 VFTGNHZDRXGAJX-MRXNPFEDSA-N 334.872 4.786 0 40 EJAB OC1=Nc2n[nH]cc2[C@H](c2cccc(Oc3ccccc3)c2)SC1 20729152 BRXJDMNXCBSCJS-KRWDZBQOSA-N 337.404 4.626 0 40 EJAB Cc1ccc(C)c(Cn2cnc3c(-c4ccccc4)csc3c2=O)c1 23126378 HCBKKQJIURGSDI-UHFFFAOYSA-N 346.455 4.790 0 40 EJAB COc1ccccc1-c1csc(NC(=O)c2cccc(Cl)c2)n1 27756762 APWCFNHLDHNURE-UHFFFAOYSA-N 344.823 4.724 0 40 EJAB c1ccc(-c2nnc(Nc3ccc4c(c3)OCO4)c3ccccc23)cc1 27836923 XNSARUKDHAHOEE-UHFFFAOYSA-N 341.370 4.769 0 40 EJAB CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@@H](C)c1cc(C)ccc1C 30869912 XKIVLSNXQWPOCO-FXAWDEMLSA-N 325.452 4.647 0 40 EJAB Cc1ccc(Oc2ccccc2NC(=O)c2cc(C3CC3)on2)cc1 31297201 URFHMIYCXARJHT-UHFFFAOYSA-N 334.375 4.905 0 40 EJAB Cc1cc(C(=O)N[C@H]2CCSc3ccc(Cl)cc32)c(C)s1 36697725 JAEROQYIJXUUTR-AWEZNQCLSA-N 337.897 4.985 0 40 EJAB CCCCOc1ccc(-c2cc3c(SCC)nccn3n2)cc1 38486618 RGDFTKYMCPTUTG-UHFFFAOYSA-N 327.453 4.687 0 40 EJAB COc1ccccc1-c1nc(CSc2ccc(C)cn2)cs1 42172160 YFOGEQRIZKYCRH-UHFFFAOYSA-N 328.462 4.814 0 40 EJAB c1ccc(-c2noc(Cc3nc(-c4cccs4)cs3)n2)cc1 48990135 ISIDDWSXWOEZTM-UHFFFAOYSA-N 325.418 4.512 0 40 EJAB C[C@H](NC(=O)c1c[nH]cc1-c1ccc(Cl)s1)c1ccccc1 54675204 QDQWTOKBNDIMOD-NSHDSACASA-N 330.840 4.888 0 40 EJAB Cc1cc(C)c2oc(-c3ccc(C)c(NC(=O)C(F)(F)F)c3)nc2c1 57316759 FRQYKAZILBUXGQ-UHFFFAOYSA-N 348.324 4.921 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)COc2ccc3oc4ccccc4c3c2)o1 58414478 HCDLKZKJADSNCT-CQSZACIVSA-N 349.386 4.744 0 40 EJAB CCOC1CCN(C(=O)Nc2ccc(SC(C)(C)C)cc2)CC1 69632965 YGPCLHWOQGNXKO-UHFFFAOYSA-N 336.501 4.610 0 40 EJAB CCOc1ccc2ncc(C(=O)c3ccc(C)cc3)c(Cl)c2c1 71775365 NEWJYRPIPKCMDH-UHFFFAOYSA-N 325.795 4.826 0 40 EJAB O=C(Nc1ccc(Oc2cccc3[nH]ccc23)nc1)c1ccccc1 72403120 HPDZPFSXNPJHBB-UHFFFAOYSA-N 329.359 4.608 0 40 EJAB Clc1ccc2nc(-c3cncc(Br)c3)sc2c1 73638656 LJZDJOWIHHQGCB-UHFFFAOYSA-N 325.618 4.774 0 40 EJAB O=C(O)c1ccc(Nc2ccnc3c(Cl)c(Cl)ccc23)cc1 78401475 AVGAAXMUTBWONJ-UHFFFAOYSA-N 333.174 4.983 0 40 EJAB O=C(c1cc2c(Cl)cccc2[nH]1)N1CCc2c([nH]c3ccccc23)C1 96114348 CGUZAMBPZOKZIU-UHFFFAOYSA-N 349.821 4.501 0 40 EJAB biogenic CC[C@H](Nc1ccc(CN2CCCC2=O)cc1)c1ccc(F)cc1 96415081 KCHWJMDSZQJARM-IBGZPJMESA-N 326.415 4.511 0 40 EJAB COc1ccc(C(=O)N2CCCCC2)cc1CSc1ccccc1 224328443 MAXYXKRXVFFPQD-UHFFFAOYSA-N 341.476 4.614 0 40 EJAB CCc1ccc(CC)c(CNC(=O)CCCOc2ccc(C)cc2)c1 224837513 GLBVVYONAGJACE-UHFFFAOYSA-N 339.479 4.595 0 40 EJAB CC(C)(Cc1ccccc1)NC(=O)C(C)(C)Oc1ccc(Cl)cc1 224994541 YOJRETSOCUZYLN-UHFFFAOYSA-N 345.870 4.635 0 40 EJAB COc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1F 225387912 AHYORYGMAAJVPN-UHFFFAOYSA-N 337.350 4.879 0 40 EJAB CCOc1ccccc1CCCNC(=S)Nc1ccc(CC)cc1 225395700 GOWDQSZMDQAMMR-UHFFFAOYSA-N 342.508 4.567 0 40 EJAB Cc1ccc(C)c(C(=O)NCCSCc2cccc(Cl)c2)c1 225612321 ZAFFQPPMQZNZLS-UHFFFAOYSA-N 333.884 4.620 0 40 EJAB CO[C@@H](C)CCNc1nc(-c2cccc(Cl)c2)nc2c1CCCC2 1651076779 BQLCKJUXAYKXIN-ZDUSSCGKSA-N 345.874 4.513 0 40 EJAB COc1ccc(C(=O)N2c3ccccc3CCc3ccccc32)cc1 126623 UGNPZLBZPPQSEL-UHFFFAOYSA-N 329.399 4.772 0 40 EJAB S=C(Nc1cccc(Cl)c1)N1CCCC[C@H]1c1cccnc1 240168 XRFCUIFRWRWNSC-INIZCTEOSA-N 331.872 4.659 0 40 EJAB biogenic O=C(Nc1cccc(Cl)c1)N1CCc2[nH]c3ccc(F)cc3c2C1 523296 HBIWVFOHLHKYBH-UHFFFAOYSA-N 343.789 4.551 0 40 EJAB CC(=O)SC(Cc1ccccc1)(Cc1ccccc1)SC(C)=O 1734726 IIWJOESRUZNOJV-UHFFFAOYSA-N 344.501 4.728 0 40 EJAB CC(C)c1nc2oc3c(NCc4ccco4)ncnc3c2c2c1CCC2 2438553 ITEXEEZXBANTCC-UHFFFAOYSA-N 348.406 4.588 0 40 EJAB Cc1ccc2nc(-c3ccsc3)c(Nc3ccc4c(c3)OCO4)n2c1 3911524 QTFPSDGASCGECL-UHFFFAOYSA-N 349.415 4.844 0 40 EJAB Cn1cc(C(=O)Nc2ccc(N3CCCCCC3)cc2)c2ccccc21 8232330 YUSBJXQVSLITCS-UHFFFAOYSA-N 347.462 4.811 0 40 EJAB CCOc1ccc(NC(=O)[C@H](CC)Oc2ccc(Cl)cc2)cc1 8479704 IUYGSZNYWVHCDM-KRWDZBQOSA-N 333.815 4.535 0 40 EJAB CCOc1ccc2oc(C(=O)N3CCC[C@H]4CCCC[C@H]43)c(C)c2c1 9536013 ZWRWLGWDGKOTEK-CRAIPNDOSA-N 341.451 4.935 0 40 EJAB O=C(NCC1(c2ccc(F)cc2)CC1)c1ccc(Cl)cc1Cl 11899761 CFXQKRDYDIEUDE-UHFFFAOYSA-N 338.209 4.594 0 40 EJAB O=C(Nc1cccc(Cl)c1)N[C@@H](c1ccccc1)c1ccccn1 12557614 LUBZSZUDAADQOH-SFHVURJKSA-N 337.810 4.646 0 40 EJAB Cc1ccc(O[C@@H](C)C(=O)N[C@H](C)c2cccc3ccccc23)cc1 13018913 PASRMZPSOAHIPC-SJORKVTESA-N 333.431 4.793 0 40 EJAB CCc1ccccc1NC(=O)Cc1sc(C)nc1-c1cccs1 15840148 HWBXQONYSSRWFL-UHFFFAOYSA-N 342.489 4.924 0 40 EJAB COc1ccc([C@@H]2CCCCCN2C(=O)/C=C/c2cccs2)cc1 16470973 PVKRYTOMNVADOB-HYSAVQALSA-N 341.476 4.914 0 40 EJAB Cc1ccsc1/C=C1\SC(=O)N(c2cccc(Cl)c2)C1=O 17150276 FXYYDGAVRCVAFB-JYRVWZFOSA-N 335.837 4.951 0 40 EJAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccccc1C 20106193 SWVOEJNUGXRTFU-KRWDZBQOSA-N 333.884 4.836 0 40 EJAB O=C(Cc1coc2cc3c(cc12)CCC3)Nc1cnc2ccccc2c1 25156294 MZVJXINGJNZGMA-UHFFFAOYSA-N 342.398 4.651 0 40 EJAB CN(Cn1nc(NC2CCCCC2)sc1=S)C1CCCCC1 28705180 ZSFDXHIBILNOAD-UHFFFAOYSA-N 340.562 4.641 0 40 EJAB c1ccc(COc2cccc(CN[C@H]3CCCc4ccccc43)c2)nc1 30543928 IDSINAZBLOBNQJ-QHCPKHFHSA-N 344.458 4.828 0 40 EJAB Cc1nc(-c2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2)oc1C 33638093 MRTNZCFVAYAZMH-UHFFFAOYSA-N 340.810 4.793 0 40 EJAB C[C@@H](c1ccccc1)N(C)C(=O)c1ncc(Cl)c(Cl)c1Cl 36728949 MRDIYJMXORNPKJ-VIFPVBQESA-N 343.641 4.875 0 40 EJAB COc1ccccc1NC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C 47209548 KRYRBHHVJDMNEG-HNNXBMFYSA-N 327.424 4.533 0 40 EJAB CCc1c(C)sc2nc(-c3ccc4[nH]c(C)c(C)c4c3)[nH]c(=O)c12 89282671 LKKHTQSZRSTAJP-UHFFFAOYSA-N 337.448 4.621 0 40 EJAB CC(=O)O[C@H]1CC[C@@]2(C)[C@H](C1)C(=O)C[C@H]1[C@@H]3CCC[C@@]3(C)CC[C@@H]12 118934505 KDFBVYUYNLYXGM-QMFSJDNRSA-N 332.484 4.530 0 40 EJAB Cc1ccc2ccccc2c1[C@@H](O)c1ccc(Br)cc1 160990452 HDSJCKLGGBXKGR-SFHVURJKSA-N 327.221 4.992 0 40 EJAB CCSc1ccccc1NC(=O)[C@H](CC)Oc1ccc(OC)cc1 216236612 YSIOBQKWMGWIFE-KRWDZBQOSA-N 345.464 4.603 0 40 EJAB CCOC(=O)/C=C/c1ccc(OCc2ccccc2F)c(Cl)c1 216889009 FKYLLIZPHLPLNF-CSKARUKUSA-N 334.774 4.634 0 40 EJAB Cc1cc(-c2nc3cc(Cl)cc(Br)c3[nH]2)ccc1N 216917283 FUCYTZNDRSZILB-UHFFFAOYSA-N 336.620 4.536 0 40 EJAB Cc1cc(C)cc(C[C@H](Oc2ccc(C(C)(C)C)cc2)C(=O)O)c1 225036653 CMVSMELKVWXSNN-IBGZPJMESA-N 326.436 4.676 0 40 EJAB CC(C)(Cc1ccccc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 225942318 LRCIPKYRCIOBAG-UHFFFAOYSA-N 337.341 4.793 0 40 EJAB O=c1c(Sc2ccc(Cl)cc2)cc(Cl)nn1-c1ccccc1 343688 BSHSAMAHIJAWKO-UHFFFAOYSA-N 349.242 4.691 0 40 EJAB C/C(Cl)=C\COc1cc(C)nc2ccc(Br)cc12 366127 LKXNJCLMVVZNJH-WEVVVXLNSA-N 326.621 4.827 0 40 EJAB CC(=O)Nc1ccc(C(=O)CSc2ccc(C(C)(C)C)cc2)cc1 386117 OQVLZEUHZASECB-UHFFFAOYSA-N 341.476 4.918 0 40 EJAB CC1(C)Cc2c(sc3[nH]c(-c4ccccc4)nc(=S)c23)CO1 501647 HDVTXSGKMGFSNE-UHFFFAOYSA-N 328.462 4.872 0 40 EJAB Cc1ccsc1C(=O)Oc1ccc(C(=O)c2ccc(F)cc2)cc1 3284575 JYJOWTRZZGLVJY-UHFFFAOYSA-N 340.375 4.646 0 40 EJAB Clc1ccc2c(c1)C(c1ccccc1)=NNC(c1cccs1)=N2 4129708 SDOINTWMOKGQCN-UHFFFAOYSA-N 337.835 4.835 0 40 EJAB Cc1ccccc1N1C(=O)S/C(=C\c2ccccc2Cl)C1=O 5214090 WHUYLAWGUWWFNO-GDNBJRDFSA-N 329.808 4.889 0 40 EJAB c1cncc(Nc2ncnc3oc(-c4ccco4)c(-c4ccco4)c23)c1 5347491 XXKGJDJCUNUIEY-UHFFFAOYSA-N 344.330 4.881 0 40 EJAB CCOc1c(C)cc([C@H](C)c2cc3c(cc2OC)OCO3)cc1C 5841149 RDZZOOYNBGZWRE-AWEZNQCLSA-N 328.408 4.591 0 40 EJAB Cc1ccc2nc(SCC(=O)Nc3ccccc3C(C)C)[nH]c2c1 6908898 XFYGENCZTUTZEL-UHFFFAOYSA-N 339.464 4.726 0 40 EJAB CC(=O)c1ccc(OCc2csc(Nc3ccc(C)cc3)n2)cc1 8710648 DVPIFQPTMSTAJV-UHFFFAOYSA-N 338.432 4.977 0 40 EJAB CC(=O)Nc1ccc(-c2nc(NC3CCCCC3)sc2C)cc1 8986905 CHWPBXANQDZPAD-UHFFFAOYSA-N 329.469 4.822 0 40 EJAB Cc1nc(Nc2ccccc2Oc2ccccc2)sc1C(=O)O 20156580 NFYPCXGERGSVNW-UHFFFAOYSA-N 326.377 4.686 0 40 EJAB c1cc(C2CCCCC2)ccc1OCCCCCCN1CCNCC1 22440849 GVNAAORQEWBFDE-UHFFFAOYSA-N 344.543 4.579 0 40 EJAB CCCCOc1ccc(C(=O)Nc2ccccc2OC)cc1OCC 27294768 YXJIBIYKCKLINL-UHFFFAOYSA-N 343.423 4.525 0 40 EJAB O=C1CCCc2cc(-c3csc(-c4cccc(F)c4)n3)ccc2N1 30446991 PYSUUSZTXPZEFX-UHFFFAOYSA-N 338.407 4.891 0 40 EJAB c1ccc(N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 31938376 TVBGCVYNNJWKAX-UHFFFAOYSA-N 326.443 4.579 0 40 EJAB COc1ccc(CCS[C@H](C)C(=O)Nc2cc(C)ccc2C)cc1 32854106 MEFXNDWOXIOKHX-MRXNPFEDSA-N 343.492 4.615 0 40 EJAB OC1=Nc2nc(N3CCCCC3)sc2[C@H](c2cccc(F)c2F)C1 36360581 JCYIABGBOXCZEV-NSHDSACASA-N 349.406 4.535 0 40 EJAB CSc1ccccc1C(=O)NCC1(c2cccs2)CCCC1 38586931 DVDHNKAXKOMNSF-UHFFFAOYSA-N 331.506 4.712 0 40 EJAB CN(c1ccccc1)C1CCN(C(=O)c2ccc3ccccc3c2)CC1 47278772 XHKMYJFSVDGBDA-UHFFFAOYSA-N 344.458 4.581 0 40 EJAB CCCN1CCCC[C@@H]1c1ccc(N(CC)C(=O)OC(C)(C)C)nc1 72214636 YIXMVAVUFBXGSD-QGZVFWFLSA-N 347.503 4.780 0 40 EJAB CCc1ccc([C@@H](C)NC(=O)[C@@H](CC)Oc2ccc(Cl)cc2)cc1 78458460 HCYJDZVQZXCKDJ-AUUYWEPGSA-N 345.870 4.937 0 40 EJAB Cc1nnc([C@@H](C)Nc2ccc(Oc3cccc(Cl)c3)cc2)o1 79030184 WUDMFKOMGWNFQD-LLVKDONJSA-N 329.787 4.997 0 40 EJAB CCn1c(-c2ccc(Cl)cc2)cs/c1=N/c1ccc(O)cc1 100202222 AXLXCETVFZNQRI-HTXNQAPBSA-N 330.840 4.828 0 40 EJAB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1cccc(Cl)c1Cl)CC2=O 100834585 SUXPZCVVHOTCJP-IAGOWNOFSA-N 340.250 4.717 0 40 EJAB CC[C@@H](NC(=O)c1ccc(OC(C)C)cc1)c1ccc(OC)c(C)c1 223230100 LWEZILIVZUATBP-LJQANCHMSA-N 341.451 4.672 0 40 EJAB Cc1cc(C)cc(O[C@H](Cc2cc(Cl)cc(Cl)c2)C(=O)O)c1 225090995 CSGAOLSXOFAMMR-MRXNPFEDSA-N 339.218 4.685 0 40 EJAB Cc1ccc(NC(=S)NCc2cccc(OC(C)C)c2)cc1C 225522655 JWOVMCCDDKOKOG-UHFFFAOYSA-N 328.481 4.577 0 40 EJAB CCOc1ccc(C(=O)N[C@@H](CC)c2ccc(OC)c(C)c2)cc1C 225646737 QTMCZRZLEYZPOP-SFHVURJKSA-N 341.451 4.592 0 40 EJAB CCO[C@](C)(CC(C)C)C(=O)Nc1cc(C)c(OC(C)C)c(C)c1 225690560 IFXCBKHDPDIMND-HXUWFJFHSA-N 335.488 4.870 0 40 EJAB CC[C@@H](C(=O)NCc1cccnc1-c1ccsc1)c1ccccc1 585366685 PJDPPQYUZAQVRD-GOSISDBHSA-N 336.460 4.620 0 40 EJAB COc1ccc(NC(=O)C2(C)c3ccccc3-c3ccccc32)cc1 36746 MIXQSJQAZRDDPK-UHFFFAOYSA-N 329.399 4.620 0 40 EJAB CCOc1ccc2nc(NC(=O)c3ccc(CC)cc3)sc2c1 188377 WLYLGVWRZFEXQA-UHFFFAOYSA-N 326.421 4.510 0 40 EJAB COc1cccc(CSc2nn(-c3ccccc3)c(=S)s2)c1 2635783 UMMKLXSDLHTKSN-UHFFFAOYSA-N 346.502 4.964 0 40 EJAB Cc1c(NC(=O)C2CCCC2)cccc1-c1nc2cccnc2s1 2961561 FPBJZSPSEBRWBS-UHFFFAOYSA-N 337.448 4.795 0 40 EJAB CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=O)cc1F 3295389 UCBJBSRBZUSZPV-UHFFFAOYSA-N 338.382 4.670 0 40 EJAB CC(C)Cc1ccc([C@H](C)NC(=O)Cc2c[nH]c3ccccc23)cc1 3333497 OCRYCWNZZLMVRV-INIZCTEOSA-N 334.463 4.786 0 40 EJAB Clc1ccc(-c2nc3ccccn3c2CN2CCCCC2)cc1 4002877 IRPLZCJSJQNZNK-UHFFFAOYSA-N 325.843 4.641 0 40 EJAB Cc1ccccc1-c1nnc(NC(=O)Nc2cccc(Cl)c2)s1 4900599 FLOSGJIVKNNPEE-UHFFFAOYSA-N 344.827 4.811 0 40 EJAB Cc1cc(C)c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)c(C)c1 6255227 SIZKBYOESWZMHB-HNNXBMFYSA-N 331.843 4.980 0 40 EJAB CC[C@H](C)Oc1cccc(C(=O)NC23CC4CC(CC(C4)C2)C3)c1 6440725 YGONTXDKXIATGH-HILYYZTDSA-N 327.468 4.563 0 40 EJAB O=C(Nc1nc2c(s1)CCC2)c1ccc(Oc2ccccc2)cc1 9446530 PFZFSHZZOPJBHO-UHFFFAOYSA-N 336.416 4.676 0 40 EJAB O=C(Nc1ccccc1)c1ccc(CN2CCCc3ccccc32)cc1 20104596 ONLGBCMBFSHTHY-UHFFFAOYSA-N 342.442 4.892 0 40 EJAB O=C(Nc1cccc(OCc2ccccn2)c1)c1cccc(Cl)c1 26254726 VWSDZSHVPGUPRI-UHFFFAOYSA-N 338.794 4.566 0 40 EJAB Cc1cccc(COc2ccccc2C(=O)NCc2cccs2)c1 27753253 HPSHUXZCJCOPAV-UHFFFAOYSA-N 337.444 4.566 0 40 EJAB CCCCc1ccc(NC(=O)[C@@H](C)Oc2ccccc2CC)cc1 30755920 NUJFFTKVNMNYIW-MRXNPFEDSA-N 325.452 4.998 0 40 EJAB Cc1ccc(NC(=O)Nc2cc(C)nn2Cc2ccccc2)c(C)c1 32647711 CLGOGMJBXOIIGA-UHFFFAOYSA-N 334.423 4.501 0 40 EJAB O=C(O)CC1(CC(=O)c2ccc(Cl)c(Cl)c2)CCCCC1 37364830 VBPNEOVSYIJWAD-UHFFFAOYSA-N 329.223 4.991 0 40 EJAB CC(C)=C1OC(=O)C(C)(C)N2C(C(C)C)=C(C)c3ccccc3N12 38337630 MIIYHQYJUWLETH-UHFFFAOYSA-N 326.440 4.697 0 40 EJAB Cc1ncc(CN2CCC(c3nc4cc(Cl)ccc4o3)CC2)s1 58356208 LHXOUVBXAUIUMX-UHFFFAOYSA-N 347.871 4.626 0 40 EJAB CC(C)Oc1ccc([C@@H]2CC(O)=Nc3c2cnn3C2CCCC2)cc1 71282746 GNSCTFHMWDAILE-KRWDZBQOSA-N 339.439 4.909 0 40 EJAB C[C@@H]1SCCN(C(=O)Nc2ccccc2CCC(F)(F)F)[C@@H]1C 89920030 JLAHWJFNBRLTQM-NEPJUHHUSA-N 346.418 4.539 0 40 EJAB O=C(/C=C/c1ccc(Cl)cc1)NCc1cccc(C(F)(F)F)c1 96621883 NTDWZQGLJGJKAM-RMKNXTFCSA-N 339.744 4.688 0 40 EJAB O=C([C@@H]1C[C@H]2C=C[C@H]1C2)N1CCCC[C@@H]1c1nc2ccccc2s1 100804868 JLXWJSPPBHXNNB-LJIGWXMPSA-N 338.476 4.562 0 40 EJAB CC[C@H](Oc1ccc(C)cc1C)C(=O)N[C@@H](C)CCc1ccccc1 222961341 QBTDCXXFDRTRPB-ICSRJNTNSA-N 339.479 4.598 0 40 EJAB C[C@@H](Sc1ccccc1)C(=O)Nc1ccc(Cc2ccncc2)cc1 223410435 KSTUYZUBIHALLD-MRXNPFEDSA-N 348.471 4.792 0 40 EJAB Cc1ccc(CN(C)C(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)cc1 223654033 DJSUQVHAIZKGBB-SFHVURJKSA-N 339.479 4.853 0 40 EJAB Cc1ccc(CNC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)cc1 224460276 XOOSHTQSLBVMAI-QGZVFWFLSA-N 325.452 4.511 0 40 EJAB Cc1ccc(NC(=S)NCCSCc2ccccc2C)cc1 225359737 FJXVIQSTHYSVDF-UHFFFAOYSA-N 330.522 4.523 0 40 EJAB Cc1ccc(CCCNC(=S)Nc2ccc(C)c(Cl)c2)cc1 225387481 ODHAGTDNGNZZHM-UHFFFAOYSA-N 332.900 4.876 0 40 EJAB CC[C@@H](NC(=O)Cc1cccc(Br)c1)c1ccc(C)cc1 225618149 VBMAHBCNENTWQB-QGZVFWFLSA-N 346.268 4.568 0 40 EJAB CCO[C@@]1(C(=O)Nc2ccc(OC3CCCC3)cc2)CCC[C@@H](C)C1 225713322 IVGVRMKGBFBNJK-IERDGZPVSA-N 345.483 4.932 0 40 EJAB Cc1ccc(C2(C(=O)Nc3ccc(OC(C)C)nc3)CCCC2)cc1 225933321 GEUMYXJBTWJIFO-UHFFFAOYSA-N 338.451 4.628 0 40 EJAB CCOC(=O)c1c(CC(C)C)csc1NC(=O)c1ccc(C)cc1 227400 OKNZELFAAHBCRW-UHFFFAOYSA-N 345.464 4.684 0 40 EJAB CC[C@@H](C)Oc1ccc(C(=O)Nc2ccccc2N2CCCC2)cc1 569740 XHPSUQYESSBGRK-MRXNPFEDSA-N 338.451 4.716 0 40 EJAB Cc1nc(SCc2nc3ccccc3[nH]2)c2c(C)c(C)sc2n1 572855 ZQFQWMWOGSIICR-UHFFFAOYSA-N 340.477 4.785 0 40 EJAB CC(C)(C)NC(=O)c1cccc(COc2cccc3ccccc23)c1 998882 WRSMAVRCSHEYOP-UHFFFAOYSA-N 333.431 4.947 0 40 EJAB Cc1ccc(OCCCC(=O)Nc2ccc(OC(C)C)cc2)c(C)c1 1913921 VVEGLZHMECENTB-UHFFFAOYSA-N 341.451 4.888 0 40 EJAB Cc1ccc(N2COc3c(cc4c(C)c(C)c(=O)oc4c3C)C2)c(C)c1 2160128 ILWPDGXFXWDVSM-UHFFFAOYSA-N 349.430 4.692 0 40 EJAB biogenic O=C(Nc1nccs1)c1ccccc1OCc1ccc(Cl)cc1 2648029 ZPEPEIAUEFKGDT-UHFFFAOYSA-N 344.823 4.628 0 40 EJAB O=C(CSC1CCCCC1)NC(c1ccccc1)c1ccccc1 3453502 BLJGAEUQPZEMCZ-UHFFFAOYSA-N 339.504 4.958 0 40 EJAB COc1ccc(NC(=O)Cc2cccc(C(F)(F)F)c2)cc1Cl 6303245 SQXBNIRLOILOGU-UHFFFAOYSA-N 343.732 4.549 0 40 EJAB CCSc1nnc(-c2ccc(OC)cc2)n1[C@H]1CCCC[C@H]1C 7780509 FENCPVBIEMKQNK-CJNGLKHVSA-N 331.485 4.817 0 40 EJAB O=C1c2ccccc2N[C@H](c2ccc(Cl)c(Cl)c2)N1C1CC1 7885969 HWKXZBCZHXNEML-INIZCTEOSA-N 333.218 4.722 0 40 EJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(F)c(Cl)c1 8479004 ZYONJWGPPGUHMN-HNNXBMFYSA-N 342.197 4.929 0 40 EJAB Cc1nnc(Sc2ncnc3scc(-c4ccccc4)c23)s1 8734082 LPRPGYNEVSZQNB-UHFFFAOYSA-N 342.474 4.669 0 40 EJAB CCc1ccc(-n2nc(C)c3c2N=C(O)C[C@H]3c2cccs2)cc1 9576208 YTTMJFUXKCZELI-HNNXBMFYSA-N 337.448 4.928 0 40 EJAB CCc1ccc(Nc2nc(C)c3c(n2)C[C@@H](c2ccco2)CC3=O)cc1 10156879 IPDZYTVVQPXDRH-OAHLLOKOSA-N 347.418 4.597 0 40 EJAB O=c1[nH]c2c(s1)[C@H](c1ccccc1Cl)[C@@H]1[C@@H](S2)[C@H]2CC[C@@H]1C2 11859695 JSSBVGZWZPTGCP-OEHCEXGNSA-N 349.908 4.742 0 40 EJAB O=C(CSc1cc(-c2ccccc2)ncn1)c1c[nH]c2ccccc12 11903031 LQFFRBQRESUZKO-UHFFFAOYSA-N 345.427 4.600 0 40 EJAB COc1ccc(-c2nnc(S[C@@H](C)c3ccccc3)o2)c(OC)c1 12620973 XLKNJJHJOSTFSO-LBPRGKRZSA-N 342.420 4.607 0 40 EJAB Cc1ccc(NC(=O)[C@H](C)Oc2cccc(C(F)(F)F)c2)c(C)c1 12729006 WSALXNWCPARLGZ-ZDUSSCGKSA-N 337.341 4.728 0 40 EJAB O=C(Oc1ccccc1Br)c1cc2c(s1)CCCC2 13141620 UKUSAORWJKLIQU-UHFFFAOYSA-N 337.238 4.609 0 40 EJAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccc2[nH]ccc2c1 13687488 VSFYWJHLMICPRK-UHFFFAOYSA-N 333.416 4.852 0 40 EJAB COc1ccc(NC(=O)C23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)cc1OC 15012026 DCSKVQIOVBCZDN-DELCKGKKSA-N 343.467 4.639 0 40 EJAB Cc1ccc2cccc(NC(=O)[C@@H](C)Oc3ccccc3Cl)c2n1 15835268 HOYCRRYNCAZOSO-CYBMUJFWSA-N 340.810 4.603 0 40 EJAB Cc1ccc2[nH]c(-c3ccccc3)c(C(=O)c3ccccc3)c(=O)c2c1 17111796 HJHPOOGFIQIFRC-UHFFFAOYSA-N 339.394 4.735 0 40 EJAB CCCC(=O)N1CCC(c2cc(-c3ccc(F)cc3)cc(C)n2)CC1 19691176 FELALBDRTJBWFU-UHFFFAOYSA-N 340.442 4.702 0 40 EJAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N[C@@H](C)c1ccc(C)cc1 20456716 DARSMMJTHFPYFR-PKOBYXMFSA-N 325.452 4.647 0 40 EJAB CCc1c(-c2ccc(Br)cc2)nc2sc(C3CC3)nn12 28540087 KYJIRWBIFMKCME-UHFFFAOYSA-N 348.269 4.660 0 40 EJAB CCc1cc(C(=O)Nc2ccccc2OC(F)(F)F)sc1C 32837419 KHMGDSNUNOQKID-UHFFFAOYSA-N 329.343 4.770 0 40 EJAB CCCC[C@H](CC)C(=O)N1CCC(c2nc3ccccc3o2)CC1 35672568 DJAZHKUVUVRXCZ-HNNXBMFYSA-N 328.456 4.750 0 40 EJAB Cc1ccc(C)c([C@@H](C)NC(=O)[C@H](C)Oc2cccc(Cl)c2)c1 38754900 MTHWGEIGOPSXBK-CABCVRRESA-N 331.843 4.602 0 40 EJAB C[C@H](c1cc2ccccc2o1)N(C)C(=O)NCCc1ccccc1F 40067810 LPUKOKUNBQIJKP-CQSZACIVSA-N 340.398 4.517 0 40 EJAB CCSc1nnc(SCCCC(=O)c2ccc(F)cc2)s1 40161897 USYKVMNAOIIIRO-UHFFFAOYSA-N 342.486 4.544 0 40 EJAB Cc1ccc([C@H](C)NC(=O)[C@H](C)Oc2cccc(C)c2C)cc1C 59351228 DGWGOSBHPFXGSE-ROUUACIJSA-N 325.452 4.565 0 40 EJAB O=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccnc(F)c1 63453330 STTIDFKWQFKJRY-UHFFFAOYSA-N 349.390 4.750 0 40 EJAB CCc1ccc(NC(=S)Nc2cccc(OC(F)(F)F)c2)cc1 71326260 RRKJQVLRQIQVAV-UHFFFAOYSA-N 340.370 4.957 0 40 EJAB Fc1ccccc1Cc1cccc([C@@H]2CCCN2Cc2ccncc2)n1 72357665 DCSCIVLNWKWZFJ-QFIPXVFZSA-N 347.437 4.544 0 40 EJAB FC(F)(Br)c1cccc(C(F)(F)Br)c1 91251915 ULVRHJUXLCNCDE-UHFFFAOYSA-N 335.920 4.575 0 40 EJAB Cc1ccccc1Cc1nnc(CN[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)o1 95995941 HDQQIMLHXLPZFI-KFKAGJAMSA-N 341.499 4.519 0 40 EJAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1ccc(Cl)c(Cl)c1)CC2=O 100834592 HNYFTRHWDOKJRP-IRXDYDNUSA-N 340.250 4.717 0 40 EJAB CCc1ccc(CC)c(CNC(=O)CCc2ccccc2Cl)c1 225230937 HTNNDRXUWNLMEN-UHFFFAOYSA-N 329.871 4.714 0 40 EJAB CCOc1cccc(NC(=S)NC[C@H](CC)Cc2ccccc2)c1 225632250 PPRGAMAYGHPFFU-MRXNPFEDSA-N 342.508 4.641 0 40 EJAB CO[C@H](CNC(=O)Nc1ccccc1Cl)c1ccc(Cl)s1 225709182 ARALVJLRLPMIQE-LLVKDONJSA-N 345.251 4.564 0 40 EJAB CCOc1ccc(NC(=S)N[C@H](CC)c2ccccc2C)cc1 225756564 OHNJZRYJWZBPFW-GOSISDBHSA-N 328.481 4.831 0 40 EJAB Cc1cc(C)cc(NC(=S)N[C@H](C)COc2ccc(C)c(C)c2)c1 225788902 KJEWXOHVIMIZKV-QGZVFWFLSA-N 342.508 4.674 0 40 EJAB CC(C)CN(Cc1ccccc1)C(=O)c1ccc2oc(Cl)nc2c1 225986228 GTNKEJHCXDLSOQ-UHFFFAOYSA-N 342.826 4.780 0 40 EJAB Fc1cc(Cl)ccc1[C@@H]1CC[C@H]1c1nc(-c2cncs2)no1 579200266 REULZFWOSJVZRP-GXSJLCMTSA-N 335.791 4.647 0 40 EJAB CCCCCc1ccc(NC(=O)c2cccc(Cn3ccnc3)c2)cc1 1521077459 MCLBBBHNLBQFPI-UHFFFAOYSA-N 347.462 4.916 0 40 EJAB CN(C)c1ccc(-c2nc3ccc(Cl)cn3c2NC(C)(C)C)cc1 320237 ASMVXAHGBQKVQA-UHFFFAOYSA-N 342.874 4.931 0 40 EJAB CCCc1cc2c(cc1NC(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C)OCO2 1670454 QPHJVFKCXRFWFY-RDTXWAMCSA-N 329.440 4.545 0 40 EJAB in-vitro O=C(c1ccccc1CN1CCCC1)c1ccccc1C(F)(F)F 2515573 QBVDOAQREOUYIN-UHFFFAOYSA-N 333.353 4.532 0 40 EJAB Cc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(Cl)s2)cc1 2709059 BYYQKLSYDUXUQN-UHFFFAOYSA-N 349.864 4.605 0 40 EJAB CN(C(=O)CSc1nc(-c2ccccc2)cs1)c1ccccc1 3327608 UMQQVLWZEXVZCJ-UHFFFAOYSA-N 340.473 4.565 0 40 EJAB O=c1cc(CSc2ccc(F)cc2)c2cc3c(cc2o1)CCC3 3518113 CRKGRCRUAHVWAX-UHFFFAOYSA-N 326.392 4.713 0 40 EJAB O=C1c2ccccc2N[C@@H](c2ccc(F)cc2)N1c1ccccc1F 4710431 ZLEZFIXIXRAMBK-LJQANCHMSA-N 336.341 4.736 0 40 EJAB CC(C)(C)c1ccc(-c2csc(NC(=O)c3ccncc3)n2)cc1 5904517 OBDKLBVQSVMXFZ-UHFFFAOYSA-N 337.448 4.755 0 40 EJAB O=C1c2ccccc2CC[C@@]12N=NC[C@H]2c1cccc2ccccc12 6252895 PMTPINJVWYIZMT-UNMCSNQZSA-N 326.399 4.957 0 40 EJAB O=C(Nc1nccs1)c1cccnc1Sc1ccccc1Cl 6558613 TZNWLXTVPVKOKF-UHFFFAOYSA-N 347.852 4.595 0 40 EJAB O=C(Nc1c(-c2ccccc2)nc2ccccn12)c1ccc(F)cc1F 8709950 VROHYRKYYVHBFJ-UHFFFAOYSA-N 349.340 4.532 0 40 EJAB Cc1ccc(-c2nc(CSc3ccc(Cl)nn3)cs2)cc1 10653545 JJWUAKQFDWGYAD-UHFFFAOYSA-N 333.869 4.854 0 40 EJAB COc1ccc([C@@H]2CCCCCN2C(=O)Nc2ccccc2F)cc1 12792109 VVPZJQOAGKUTAJ-IBGZPJMESA-N 342.414 4.984 0 40 EJAB C[C@H](SCc1ccccc1)C(=O)Nc1ccc(OC(F)F)cc1 18709375 UBAAUQJQCSLGIJ-LBPRGKRZSA-N 337.391 4.548 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 20035796 UPECHILOZOGULL-OAHLLOKOSA-N 331.843 4.521 0 40 EJAB C[C@H](c1cc2ccccc2o1)N(C)Cc1nc(-c2ccccc2)no1 30006550 YZSLAXTUIMTADG-CQSZACIVSA-N 333.391 4.676 0 40 EJAB C[C@@H](NC(=O)CCc1cccc(Cl)c1Cl)c1cccs1 31699455 SCHMDJBFBVUKLA-SNVBAGLBSA-N 328.264 4.865 0 40 EJAB CCc1cccc(C)c1NC(=O)CCc1ccc(OC(F)F)cc1 32764346 ILMAHMXWTNBTJT-UHFFFAOYSA-N 333.378 4.730 0 40 EJAB Cc1cc(C(=O)Nc2cccc(F)c2)c2c(-c3ccccc3)noc2n1 36617439 MHLOOQUZXWYUMD-UHFFFAOYSA-N 347.349 4.590 0 40 EJAB CCc1ccc(OCCn2c(C(F)(F)F)nc3ccccc32)cc1 40231810 VBFDEFKRTZFOOB-UHFFFAOYSA-N 334.341 4.697 0 40 EJAB CC(C)Oc1ccc(NC(=O)CSc2ccc(Cl)cc2)cc1 40946980 VZYUILJMSIKOOV-UHFFFAOYSA-N 335.856 4.858 0 40 EJAB CC(=O)Nc1ccc([C@@H]2O[C@H]3CCCC[C@H]3c3sccc32)cc1 41107743 PZBHSMRWTXJCIK-NJAFHUGGSA-N 327.449 4.852 0 40 EJAB O=C(Nc1cccc(SC(F)F)c1)N(Cc1ccccn1)C1CC1 67356203 ZUZNFRMQOVTQAP-UHFFFAOYSA-N 349.406 4.593 0 40 EJAB Cc1cc(C)c(NC(=O)Cc2cccc(Br)c2)c(C)c1 72068305 COVQJONIMMERPD-UHFFFAOYSA-N 332.241 4.556 0 40 EJAB Fc1cc(Cl)c(OC(Cl)(Cl)Cl)cc1Br 95215509 UCVGVEKKBZKCLZ-UHFFFAOYSA-N 342.806 4.948 0 40 EJAB O=C(Oc1c(Cl)cccc1Cl)c1csc([C@H]2CCCO2)n1 95440705 HXHFUFCHEJTPAJ-LLVKDONJSA-N 344.219 4.521 0 40 EJAB Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C\c1ccccc1Cl 96759096 ZURMPPZMNHLVHH-UKTHLTGXSA-N 342.851 4.673 0 40 EJAB CCCOc1ccc(Cl)cc1C(=O)Oc1ccc(C)cc1C(C)=O 113839079 ZVRCLYGHKHQMPR-UHFFFAOYSA-N 346.810 4.859 0 40 EJAB Cc1nc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2s1 137074650 YMLKZZRISBQBSH-UHFFFAOYSA-N 336.338 4.876 0 40 EJAB Cc1cc([C@@H]2CCCN2C(=O)OC(C)(C)C)ccc1Br 199830759 VQDKQGKKKXBVMS-AWEZNQCLSA-N 340.261 4.830 0 40 EJAB CCCCOc1ccc(C(=O)n2c(C)c(C=O)c3ccccc32)cc1 216958550 DPFNTOWNHYDLMW-UHFFFAOYSA-N 335.403 4.630 0 40 EJAB CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1cccc(SC)c1 222952464 UFFHWWAXNCAAAC-KRWDZBQOSA-N 329.465 4.821 0 40 EJAB Cc1cc([C@@H](C)N[C@H](C)c2nnc(-c3cccc(F)c3)s2)c(C)o1 225577251 YSKCVVDJLTYHON-VXGBXAGGSA-N 345.443 4.966 0 40 EJAB Cc1ccc(NC(=S)NCCCSc2ccc(C)cc2)cc1 225586343 QYCQGMJTBLLXAY-UHFFFAOYSA-N 330.522 4.772 0 40 EJAB CCCO[C@@]1(C(=O)Nc2ccc(OC)c(Cl)c2)CCC[C@H](C)C1 225667006 FMSKDEUXLSLECN-UGSOOPFHSA-N 339.863 4.663 0 40 EJAB CCCO[C@@](C)(C(=O)Nc1ccc(OCC(C)C)c(C)c1)C1CC1 225673680 BLVKREXHMFOFKE-HXUWFJFHSA-N 333.472 4.564 0 40 EJAB Cc1cccc([C@H](NC(=S)Nc2cc(C)ccn2)c2ccccc2)c1 225701643 XHDFQAUWAKSHQF-HXUWFJFHSA-N 347.487 4.774 0 40 EJAB Cc1ccc2[nH]c(CN3CCC[C@@H](c4nccs4)C3)c(C)c2c1 2037850069 OGXHZSGFWPLRSF-OAHLLOKOSA-N 325.481 4.621 0 40 EJAB O=C(Nc1cccc(O)c1)OCC1c2ccccc2-c2ccccc21 349634 BAOPZRXWOAVQKO-UHFFFAOYSA-N 331.371 4.753 0 40 EJAB COc1c(C(C)C)cc(O)c2c1CC[C@H]1C(C)=C(C(=O)O)CC[C@]21C 1856356 NZQIHCWNAMEWEW-KKSFZXQISA-N 344.451 4.539 0 40 EJAB biogenic,in-vitro Cc1ccc([C@H]2C[C@H](c3ccc(C(C)C)cc3)Nc3ncnn32)cc1 2500087 VURWMRDUQVGSOW-WOJBJXKFSA-N 332.451 4.856 0 40 EJAB CCN(CC)c1nc(-c2ccc(Cl)cc2)nc(Cl)c1Cl 2567015 KPYACIZQRCWDGE-UHFFFAOYSA-N 330.646 4.950 0 40 EJAB COc1ccc(Cl)cc1C(=O)Nc1cccc(C(F)(F)F)c1 2620332 LYNVDEKPIGMCLE-UHFFFAOYSA-N 329.705 4.620 0 40 EJAB Cc1csc(NC(=O)Cc2coc3cc(C)c(C(C)C)cc23)n1 3561918 LMQBSDQARFFEOP-UHFFFAOYSA-N 328.437 4.811 0 40 EJAB S=C1NC2(CCCCCCCCCCC2)NN1c1ccccc1 4872000 SQVMBOFBYRIWHT-UHFFFAOYSA-N 331.529 4.887 0 40 EJAB CCOc1ccc(Oc2ccc(NC(=O)c3cccnc3)cc2)cc1 5938242 UUOXQQQAYGTZKU-UHFFFAOYSA-N 334.375 4.525 0 40 EJAB Cc1ccc(NC(=S)SCC(=O)c2ccc(Cl)cc2)cc1 6400918 PKUCSIWTKPVMPO-UHFFFAOYSA-N 335.881 4.961 0 40 EJAB C[C@@H](NC(=O)c1ccc(F)cc1F)c1ccc(Cl)cc1Cl 6507523 YMNNQBUMHMASMK-MRVPVSSYSA-N 330.161 4.763 0 40 EJAB O=C(COc1ccc(Cl)c2cccnc12)c1ccc(Cl)cc1 6633519 AOYTZHKMDXFLQO-UHFFFAOYSA-N 332.186 4.803 0 40 EJAB Cc1ccsc1/C=C1\SC(=N)N(c2ccc(Cl)cc2)C1=O 6925298 HYWSWWMXHLSKAO-BPBFFJPSSA-N 334.853 4.766 0 40 EJAB O=C(CCSc1nc2ccccc2s1)Nc1ccccc1F 7946942 IOKDMZXFANBFBD-UHFFFAOYSA-N 332.425 4.556 0 40 EJAB CCc1nc2ccccc2n1CC(=O)Nc1ccccc1[C@H](C)CC 8719768 TYXJWQRBHLKTOG-OAHLLOKOSA-N 335.451 4.751 0 40 EJAB COc1ccc(NC(=O)c2cc(Cl)c[nH]2)cc1Cc1ccccc1 9499092 ZZBAXUVTMBKNID-UHFFFAOYSA-N 340.810 4.520 0 40 EJAB CCOc1cccc(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c1 9817339 OFAOKGSSLPTNIM-OAHLLOKOSA-N 341.451 4.789 0 40 EJAB COc1ccccc1NC(=O)N(C1=NCCC1)c1ccc(C)c(C)c1 10165964 LCDNJIXLVHNBSH-UHFFFAOYSA-N 337.423 4.543 0 40 EJAB Cc1ccc(-n2cccc2)cc1NC(=O)c1ncoc1-c1cccs1 12115124 BIIUHTNBTLGYPM-UHFFFAOYSA-N 349.415 4.755 0 40 EJAB C[C@H](OC(=O)c1cccc2ccccc12)C(=O)c1cccc(Cl)c1 14681867 UPKBYUXSEJDRPQ-ZDUSSCGKSA-N 338.790 4.921 0 40 EJAB CN(Cc1ccc(F)cc1)C(=O)c1sccc1-c1ccccc1 15933806 VVSLBKHDQSXDPA-UHFFFAOYSA-N 325.408 4.826 0 40 EJAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N[C@H](C)c1ccc(C)cc1 20456718 DARSMMJTHFPYFR-IEBWSBKVSA-N 325.452 4.647 0 40 EJAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(C(C)C)cc1 30871313 WSRCHEDXWRMPRW-LJQANCHMSA-N 327.424 4.615 0 40 EJAB O=C(/C=C/c1ccccc1)Nc1cccc(Cl)c1N1CCCC1 33629020 NNLNXJHNMTYQGM-VAWYXSNFSA-N 326.827 4.592 0 40 EJAB COc1cccc(NC(=O)c2c(C)noc2-c2ccc(Cl)cc2)c1 35681745 DEJDSJKPJVUCHR-UHFFFAOYSA-N 342.782 4.564 0 40 EJAB COc1ccc([C@@H](CC(C)C)NC(=O)c2ccccc2Cl)cc1 38756416 QBNWWNYKVSEWEQ-GOSISDBHSA-N 331.843 4.866 0 40 EJAB CC(C)Sc1ncccc1C(=O)N(C)Cc1ccc([C@H]2C[C@@H]2C)o1 48249431 RTEWZZYNAUKXIY-BBRMVZONSA-N 344.480 4.571 0 40 EJAB Cc1nc2sc(C)c(-c3ccc(Cl)cc3Cl)c2c(=O)[nH]1 48606637 LKKPTDNRHJSCFC-UHFFFAOYSA-N 325.220 4.575 0 40 EJAB CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccccc2OC(F)(F)F)C1(C)C 58166917 HNEGKRNQEYRTHI-FZMZJTMJSA-N 327.346 4.762 0 40 EJAB COc1ccc(C2=N[C@@H](c3ccco3)N=C(c3ccccc3)S2)cc1 59488727 BUIUQNAIUQASJR-SFHVURJKSA-N 348.427 4.927 0 40 EJAB COc1cc(Cl)c(C)cc1NC(=S)Nc1cc(C)ccc1F 65695602 FYMKADHETFZXHE-UHFFFAOYSA-N 338.835 4.913 0 40 EJAB CCOc1c(Cl)cc(C(=O)Nc2c(C)cccc2C)cc1OC 70674771 QJRYMOHVOWXGBE-UHFFFAOYSA-N 333.815 4.616 0 40 EJAB CC(=O)N(c1nc(CSc2cccc(Cl)c2)cs1)C1CC1 75612647 FJLICDYRKXORPP-UHFFFAOYSA-N 338.885 4.604 0 40 EJAB CCc1cccc(CC)c1NC(=O)c1cc(-c2ccc(F)cc2)on1 134724263 PFXCGAZGZLHPCX-UHFFFAOYSA-N 338.382 4.858 0 40 EJAB Cc1ccc(N2CCC(C(=O)Nc3c(C)cc(C)cc3C)CC2)cc1 219855611 GOOGQVNSGPINEQ-UHFFFAOYSA-N 336.479 4.775 0 40 EJAB CCCN(c1ccccc1Sc1ccccc1)[C@@H](CC)C(=O)O 225004763 FPHXHAMLCIPETH-INIZCTEOSA-N 329.465 4.917 0 40 EJAB CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(O[C@H](C)CC)c(C)c1 225690087 OGQAIXCAZSYWFX-UZLBHIALSA-N 335.488 4.952 0 40 EJAB CC(C)Oc1ccc(NC(=S)NC2(c3ccco3)CCCC2)cc1 225867357 WYORQWFVFXFJMP-UHFFFAOYSA-N 344.480 4.823 0 40 EJAB COc1cccc(NC(=O)[C@@H]2[C@H]3CC/C=C\CC/C=C/CC[C@H]32)c1 252430948 VDKNMAMLBHJZFZ-BZXFBTCASA-N 325.452 4.963 0 40 EJAB Cc1cc(C)c2c(N[C@@H](C)Cc3cccc(C(F)(F)F)c3)n[nH]c2n1 257287531 PQJIEKRCJXPKNO-LBPRGKRZSA-N 348.372 4.637 0 40 EJAB FC(F)(F)c1cccc(Nc2ncnc3sc4c(c23)CCC4)c1 38239 MUKDUJGTAANHBR-UHFFFAOYSA-N 335.354 4.942 0 40 EJAB COc1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc1 276710 MMSVSEZDOKFRRK-UHFFFAOYSA-N 327.767 4.861 0 40 EJAB O=C(/C=C/c1ccc(SC(F)F)cc1)Nc1ccc(Cl)cn1 544104 KLXCMNWPDYOURJ-FPYGCLRLSA-N 340.782 4.702 0 40 EJAB O=C(Oc1cc(-c2ccccc2)no1)c1cccc(C(F)(F)F)c1 1386460 UQOUSUOVEYCWKD-UHFFFAOYSA-N 333.265 4.580 0 40 EJAB c1ccc(-c2nc3ccccc3nc2SCc2cccnc2)cc1 1633410 NREFZJKCZUVKDD-UHFFFAOYSA-N 329.428 4.984 0 40 EJAB CCCCCn1c(-c2ccccc2F)nc2nc3ccccc3nc21 2410152 ZCQFBTUMKWKKCT-UHFFFAOYSA-N 334.398 4.976 0 40 EJAB CCCn1c(CNc2ccc(Br)cc2)nc2ccccc21 2459659 CQLRDFWDUMULPG-UHFFFAOYSA-N 344.256 4.821 0 40 EJAB Cc1sc2c(c1C)C(=O)N[C@@H](c1ccc(-c3ccccc3F)o1)N2 4523671 MEGHYPKPWWSSRZ-MRXNPFEDSA-N 342.395 4.618 0 40 EJAB CCC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccccc1Cl 4860102 INPFPAFMIHQCHI-SFHVURJKSA-N 326.827 4.736 0 40 EJAB C[C@@H]1C(=O)Nc2ccc(-c3csc(NC4CCCCC4)n3)cc21 4993894 IJZPLLGYKUGDQP-NSHDSACASA-N 327.453 4.610 0 40 EJAB CC(/C=C1\SC(=O)N(c2cccc(O)c2)C1=O)=C\c1ccccc1 5376240 RCSCNJFDHJPYIB-NEOBQEPSSA-N 337.400 4.579 0 40 EJAB CC(C)Cc1cc2c(cc1O)CC[C@@H]1[C@H]2CC[C@@]2(C)[C@@H](O)CC[C@H]12 6256179 NFBYXABUAHVOLX-HDGQQAJQSA-N 328.496 4.808 0 40 EJAB COc1ccc2ccccc2c1CNCCc1c[nH]c2ccccc12 6647306 ACROMYMRAOJPKX-UHFFFAOYSA-N 330.431 4.662 0 40 EJAB Cc1nc2ccc(N[C@@H](C)C(=O)Nc3ccc(Cl)cc3)cc2s1 7242141 IQHHPSCIEATZRZ-JTQLQIEISA-N 345.855 4.697 0 40 EJAB COc1ccccc1NC(=O)COc1ccc(C2CCCCC2)cc1 14258166 AMBFZDWUDXZMCT-UHFFFAOYSA-N 339.435 4.760 0 40 EJAB Cc1ccc(C(=O)O)cc1NC(=O)c1cccc2c(Cl)cccc12 20138960 OFILGJVIEXTHNO-UHFFFAOYSA-N 339.778 4.752 0 40 EJAB CCCc1nc2ccc(NC(=O)c3cc(F)ccc3F)cc2s1 22254964 NVJAQCRDBSZBNA-UHFFFAOYSA-N 332.375 4.779 0 40 EJAB O=C(N[C@H](c1ccc2c(c1)CCCC2)c1cccs1)c1ccoc1 24659444 CGRNGNSTGTWUFO-LJQANCHMSA-N 337.444 4.739 0 40 EJAB C[C@H](NC(=O)c1cc(-c2ccco2)on1)c1cccc2ccccc12 37133082 HXMPQROBSNOAMC-ZDUSSCGKSA-N 332.359 4.579 0 40 EJAB O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)Nc1cccs1 38671401 HBVMZULHKRZDBQ-UHFFFAOYSA-N 334.404 4.935 0 40 EJAB CCSc1ccccc1NC(=O)COc1ccc(Cl)c(C)c1 44900768 SWRJAQLKXYNAJK-UHFFFAOYSA-N 335.856 4.778 0 40 EJAB CC(=O)c1c(-c2ccc(Cl)cc2)c2cc(Cl)ccc2[nH]c1=O 61957971 KHOMBBJCLYEZQF-UHFFFAOYSA-N 332.186 4.705 0 40 EJAB Cc1oc(-c2ccccc2)nc1C[S@@](=O)C/C=C/c1ccccc1 69807332 VRNJLPPVXALICB-NOENIZQJSA-N 337.444 4.612 0 40 EJAB Cc1ccc(F)cc1NC(=S)Nc1cccc(CN2CCCC2)c1 71761567 XYWCPOWDDXVJGC-UHFFFAOYSA-N 343.471 4.539 0 40 EJAB Cc1noc(C)c1NC(=O)N(C1CC1)[C@H](C)c1ccc(Cl)cc1 71911829 GCXHXFLNCOXZLJ-LLVKDONJSA-N 333.819 4.702 0 40 EJAB COc1ccc2nc(Nc3ccccc3Br)sc2c1 95082236 SYZWCXWZXOOBRW-UHFFFAOYSA-N 335.226 4.811 0 40 EJAB CCSc1ccccc1C(=O)NCc1ccc(OC(C)C)cc1 113958325 BWVWQCSOSGRVCS-UHFFFAOYSA-N 329.465 4.516 0 40 EJAB CCCOc1c(Br)cc(Br)c2cccnc12 225392087 RDZWWTNYKZIAHV-UHFFFAOYSA-N 345.034 4.549 0 40 EJAB Cc1ccc([C@H](C)NC(=S)Nc2ccc(OC(C)C)cc2)cc1 225469949 TUYZJBJNJHVPSI-HNNXBMFYSA-N 328.481 4.830 0 40 EJAB Cc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1OC(F)F 524457196 SNHAOBBSTAAVJO-UHFFFAOYSA-N 328.265 4.519 0 40 EJAB O=C(Nc1ccc(Oc2ccccn2)cc1)[C@@H]1C[C@@H]1c1ccc(F)cc1 547394926 ZMNNPKYXKCZBQA-RTBURBONSA-N 348.377 4.755 0 40 EJAB Cc1oc(C(=O)O)cc1CN1CCCCC[C@@H]1/C=C\c1ccccc1 575929356 XHCPFVLQJLXSNA-YAINUAMHSA-N 339.435 4.744 0 40 EJAB CCN(CC)c1ccc(NC(=O)[C@H](C)Oc2ccc(C)cc2)c(C)c1 364599 VGBCVKWEPQRBCI-KRWDZBQOSA-N 340.467 4.556 0 40 EJAB Cc1cc2c(C)ccc(C)c2nc1SCC(=O)N1CCCC[C@@H]1C 419208 ALVXROBWVPMXFN-INIZCTEOSA-N 342.508 4.653 0 40 EJAB CCOc1ccc([C@@H](CC)c2cc3c(cc2OCC)OCO3)cc1 1586957 YHWKXFZGLAMVAL-MRXNPFEDSA-N 328.408 4.755 0 40 EJAB COc1ccc(-c2cc(-c3cc(-c4ccc(OC)cc4)on3)no2)cc1 1588231 FFXKOGYRTVHAKJ-UHFFFAOYSA-N 348.358 4.681 0 40 EJAB COC(=O)c1cccc2cccc(C(=O)Nc3ccc(Cl)cc3)c12 1620596 LIFIDUDNLOGAMW-UHFFFAOYSA-N 339.778 4.532 0 40 EJAB O=C(c1ccccc1OCc1ccccc1)[C@H]1O[C@@H]1c1ccccc1 2597609 ZZINOVZILZHGHN-FGZHOGPDSA-N 330.383 4.588 0 40 EJAB Cc1ccc([C@H]2C[C@H](c3cccc4ccccc34)n3ncnc3N2)cc1 2797222 ASAXKNVZXXCIFJ-NHCUHLMSSA-N 340.430 4.886 0 40 EJAB O=C(NCc1cccc(C(F)(F)F)c1)c1cccc(Cl)c1Cl 5980778 IFHZOGDEYHFNQO-UHFFFAOYSA-N 348.151 4.942 0 40 EJAB Cc1c(C(=O)Nc2nc(-c3cccnc3)cs2)oc2ccccc12 6969416 NSABQNOWCMXOFT-UHFFFAOYSA-N 335.388 4.512 0 40 EJAB Cc1occc1-c1nnc(SCc2ccc(C(C)C)cc2)n1C 7236728 PXDNJDBABZNYSW-UHFFFAOYSA-N 327.453 4.799 0 40 EJAB CC(C)c1ccccc1NC(=O)CN1CCC[C@H]1c1cccs1 8320493 AGKLKHFSLZBCFF-KRWDZBQOSA-N 328.481 4.647 0 40 EJAB CC[C@H](C)NCc1cc(Br)ccc1OCc1ccccc1 8326695 RMJKPJMVNJRAJD-AWEZNQCLSA-N 348.284 4.916 0 40 EJAB C[C@@H](CNC(=O)c1ccccc1C(=O)c1cccs1)c1ccccc1 8332748 WOSGMKUAVRJXFA-HNNXBMFYSA-N 349.455 4.513 0 40 EJAB CC(=O)Nc1ccc(NC(=O)CCc2ccc(C(C)(C)C)cc2)cc1 10372028 ZIAOWBCBHZERJP-UHFFFAOYSA-N 338.451 4.514 0 40 EJAB O=C([C@H](c1ccccc1)C1CCCC1)N1CCC(c2ccncc2)CC1 12117366 RXLDMBVMKOKZOC-JOCHJYFZSA-N 348.490 4.762 0 40 EJAB COc1cccc(N2C(=O)c3ccccc3N[C@H]2c2cccs2)c1 12532919 PTRSHSITBFEHIJ-GOSISDBHSA-N 336.416 4.528 0 40 EJAB C/C=C/[C@H]1OC[C@@]2(COC(=O)NCCCCC)[C@@H](C)C=C(C)[C@@H]1[C@H]2C 12655380 CSSJDGXKUUQMTC-IYJHULEWSA-N 349.515 4.712 0 40 EJAB CC[C@@H](C)[C@H](C(=O)Nc1cc(OC)c(OC)cc1C)c1ccccc1 12808895 QMHROLAQNAHCLC-VLIAUNLRSA-N 341.451 4.781 0 40 EJAB Cc1cc(Cl)ccc1NC(=O)CCC(=O)c1ccc2c(c1)CCC2 12890724 DNLAYVGRVSYPTO-UHFFFAOYSA-N 341.838 4.739 0 40 EJAB COc1ccc2c(c1)C=C(C(=O)Nc1ccc(C(C)C)cc1)C=CO2 15838762 ATKQFKCSHMXFEQ-UHFFFAOYSA-N 335.403 4.747 0 40 EJAB Cc1cccc(Oc2ccc(N3C(=O)[C@H]4C[C@H](C)CC[C@H]4C3=O)cc2)c1 18100138 RPFXZAVVAHHALA-YSGRDPCXSA-N 349.430 4.713 0 40 EJAB O=C(Nc1ccc(-c2nc(-c3ccccc3)no2)cc1)C1CCCCC1 20900072 GFKSWMCVSBQCCO-UHFFFAOYSA-N 347.418 4.922 0 40 EJAB CSc1ccc(Cl)c(C(=O)Nc2cc(C)nn2C2CCCC2)c1 28241291 FJTWIQUWZGNELB-UHFFFAOYSA-N 349.887 4.934 0 40 EJAB Cc1ccc([C@H]2CCCN2C(=O)c2ccc(Br)cc2)cc1 32754083 YGMOTKQUCMXWMP-QGZVFWFLSA-N 344.252 4.735 0 40 EJAB O=C(CC1CCCCC1)NCc1cccc(COCc2ccco2)c1 32915096 DQZLIYAKDVRYHF-UHFFFAOYSA-N 341.451 4.583 0 40 EJAB CC1=C[C@@H](CNC(C)C)[C@H](C(C)C)C[C@H]1Cc1nnc(C(C)(C)C)o1 35442757 LJVMZBOENLTWPZ-BZSNNMDCSA-N 347.547 4.762 0 40 EJAB biogenic,in-vitro Cc1nc(C)c(CC(=O)Nc2ccc(Oc3ccccc3)cc2)s1 36360586 UOVMSXOCCUVKSE-UHFFFAOYSA-N 338.432 4.733 0 40 EJAB C[C@H](NC(=O)Nc1ccc(F)c(F)c1F)c1cccc(Cl)c1 40097382 PCKRBMCBLDIWMK-QMMMGPOBSA-N 328.721 4.640 0 40 EJAB CC(C)OCCCNc1ncnc2sc(-c3ccccc3)cc12 57364330 IXNRXKAFQAISIO-UHFFFAOYSA-N 327.453 4.585 0 40 EJAB COC(=O)Nc1sc(-c2cccc(OC)c2)nc1-c1cccs1 72427583 FKYNCIFBLBZVSL-UHFFFAOYSA-N 346.433 4.726 0 40 EJAB O=C(Nc1cccc(Br)c1)c1ccc2c(c1)CCCC2 197744309 HHUWKRGVHYDJNQ-UHFFFAOYSA-N 330.225 4.580 0 40 EJAB O=C(NCC1CCCCC1)c1ccc(CN2CCc3ccccc32)cc1 224338128 OTJPIWBYMRQSGH-UHFFFAOYSA-N 348.490 4.559 0 40 EJAB COc1ccc([C@@H](CC(C)C)NC(=S)Nc2cccc(F)c2)cc1 225498778 ARVCQAZXRZFPRT-GOSISDBHSA-N 346.471 4.908 0 40 EJAB COc1ccc(NC(=S)N[C@@H](C)CCc2ccccc2)cc1Cl 225513396 NLKRMAAATYWDAJ-ZDUSSCGKSA-N 348.899 4.656 0 40 EJAB Cc1cc(NC(=O)c2cccc3ccccc23)cc2sc(N)nc12 226311570 LWEXUXSMRBVSIR-UHFFFAOYSA-N 333.416 4.592 0 40 EJAB Cc1ccc(S[C@H](C)C(=O)N[C@@H](C)CCc2ccccc2)cc1 408578013 RVPYABJOABWOFW-DLBZAZTESA-N 327.493 4.613 0 40 EJAB Cc1nc(-c2ccc(NC(=O)c3ccc4ncccc4c3)cc2)oc1C 623273921 VFMDWVNHRPJFJV-UHFFFAOYSA-N 343.386 4.759 0 40 EJAB CCCN1C(=O)c2ccc(Cl)cc2NC12CCC(C(F)F)CC2 639412119 XJQMCLXAZHZPSU-UHFFFAOYSA-N 342.817 4.769 0 40 EJAB Cc1cccc(C(=O)Oc2c(-c3ccco3)oc3ccccc3c2=O)c1 1789874 DVDHQVYWSMUGBN-UHFFFAOYSA-N 346.338 4.581 0 40 EJAB CCCSc1nc2sc(C)c(C)c2c(=O)n1Cc1ccccc1 2644886 VKGJVUQTIOEJOM-UHFFFAOYSA-N 344.505 4.625 0 40 EJAB c1ccc([C@@H]2C[C@@H](c3cccc4ccccc34)n3ncnc3N2)cc1 3215840 IWWVHBLLICZEHD-PMACEKPBSA-N 326.403 4.578 0 40 EJAB C[C@@H](Nc1ccccc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 3298638 UERCHJKTFJBUKK-SNVBAGLBSA-N 342.748 4.798 0 40 EJAB C[C@@H]1CCN(C(=O)CSc2ccc(F)cc2)c2ccccc2S1 4414649 OPSFAQWJTSARQL-CYBMUJFWSA-N 347.480 4.835 0 40 EJAB O=C(Nc1cccc(N2CCCCC2=O)c1)c1ccc2ccccc2c1 5441683 LQHCYQVOBYAHMV-UHFFFAOYSA-N 344.414 4.609 0 40 EJAB CCCOc1c(Cl)cc(C(=O)Nc2ccccc2C)cc1OC 6204575 CFRBAJXVSLOBBN-UHFFFAOYSA-N 333.815 4.698 0 40 EJAB Cc1c(C(=O)Nc2nnc(C3CC3)s2)oc2c1ccc1ccccc12 6549349 MPZHOLIHAGVIQQ-UHFFFAOYSA-N 349.415 4.876 0 40 EJAB Cc1ccc2nc(SCC(=O)c3cc(C)n(C4CC4)c3C)[nH]c2c1 6908901 LYRIYYFZPSWKIF-UHFFFAOYSA-N 339.464 4.600 0 40 EJAB Cc1nc(SCC(=O)NC2CCCCC2)n(C2CCCCC2)c1C 6973281 VXQCJWFPBLJYNC-UHFFFAOYSA-N 349.544 4.546 0 40 EJAB O=C1CCC[C@@H]1Sc1ncc(-c2ccccc2)n1-c1ccccc1 7990608 LWYIHHPRLJEPJT-IBGZPJMESA-N 334.444 4.753 0 40 EJAB Cc1sc2ncnc(NCc3coc(-c4cccs4)n3)c2c1C 11168785 KLSDPJKQRLLSOD-UHFFFAOYSA-N 342.449 4.637 0 40 EJAB C[C@H](NC(=O)Cc1cc(-c2cc3ccccc3o2)on1)c1ccccc1 23127270 KRQZNQJWFQNMTI-AWEZNQCLSA-N 346.386 4.508 0 40 EJAB Cc1cc(-c2csc(-c3ccco3)n2)c(C)n1-c1nccs1 25204601 IRBZENLNTJBHRE-UHFFFAOYSA-N 327.434 4.934 0 40 EJAB COC1(OC)CCC2=C(C[C@@H](C)[C@@H]3[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]32)C1 26892511 RKALVZFWSBYRNC-HIHRSEIJSA-N 332.484 4.507 0 40 EJAB in-vitro CCCCc1nnc(NC(=O)/C=C/c2ccc(C(C)C)cc2)s1 27563345 JNDCKOMWFHWXRM-FMIVXFBMSA-N 329.469 4.656 0 40 EJAB O=C(Nc1ccc2c(c1)OCO2)c1ccc(-c2ccc(F)cc2)s1 27666879 CSGGWLKCSIOSKG-UHFFFAOYSA-N 341.363 4.535 0 40 EJAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccc2ccccc2c1)c1ccccc1 30866620 FMZUSEZJDHCITG-IIBYNOLFSA-N 333.431 4.875 0 40 EJAB Cc1cc(Br)ccc1NC(=O)c1cc(C)n(C2CC2)c1C 32738190 MECVYIKDCFVFKG-UHFFFAOYSA-N 347.256 4.763 0 40 EJAB Cc1ccc(NC(=S)NCc2cccc(OC(C)C)c2)c(C)c1 44239666 XKJMTMVGMYJDBA-UHFFFAOYSA-N 328.481 4.577 0 40 EJAB Cc1ncsc1C(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1 48326277 GOIDDGSDZQZJSL-INIZCTEOSA-N 328.481 4.726 0 40 EJAB Cc1cc(Br)ccc1NC(=O)Nc1cccc(F)c1C 51354554 QNFSGRMVGPSLKF-UHFFFAOYSA-N 337.192 4.849 0 40 EJAB CCN(C)c1cccc(NC(=O)N2CCC[C@@H]2c2ccccc2C)c1 58323190 OARJDUISCYSJCY-HXUWFJFHSA-N 337.467 4.820 0 40 EJAB Cc1ccc(F)cc1NC(=S)Nc1ccc(OC(F)(F)F)cc1 71761601 NETOLSAPHNYVLA-UHFFFAOYSA-N 344.333 4.842 0 40 EJAB CC1=Nc2c(cnn2Cc2ccccc2)[C@@H](c2ccc(O)cc2)S1 72406517 TVDPQAAYFJRDKE-GOSISDBHSA-N 335.432 4.523 0 40 EJAB CC(=O)c1sc(N(C(=O)c2ccccc2)c2ccccc2)nc1C 95921817 PLHWKZQNLSXXBB-UHFFFAOYSA-N 336.416 4.633 0 40 EJAB N#Cc1ccc(/C=C(/CCC(=O)O)c2nc3ccccc3s2)cc1 96767637 LKNBEDPLAHSNHY-PTNGSMBKSA-N 334.400 4.573 0 40 EJAB C[C@H](N[C@H](c1ccc(Cl)cc1)C1CC1)c1ccc([S@](C)=O)cc1 107524694 AUECQLRHFAMZEW-CUKRAGERSA-N 347.911 4.879 0 40 EJAB CN1c2ccccc2S[C@]12C=Cc1cc(Br)ccc1O2 137214415 RZZMJKVEIFYGLJ-MRXNPFEDSA-N 346.249 4.751 0 40 EJAB CCOc1ccc([C@H](C)NC(=O)/C=C/c2ccc(Cl)cc2)cc1 216307390 YFNZPYSLHRRNPH-BLXFFLACSA-N 329.827 4.629 0 40 EJAB Nc1cc(C(=O)OC2c3ccccc3-c3ccccc32)ccc1Cl 216851336 KUELKQNJQDKPIW-UHFFFAOYSA-N 335.790 4.849 0 40 EJAB CC(C)c1ccc(CNc2cccc(Cl)c2N2CCOCC2)cc1 226240500 KQHYWZKTZIZFGO-UHFFFAOYSA-N 344.886 4.912 0 40 EJAB C[C@H]1CCCCN1c1ccc(NC(=O)c2cccc(Cl)c2)cc1N 226266370 OXNLZVYUZUPQSR-ZDUSSCGKSA-N 343.858 4.553 0 40 EJAB CCCn1c(SCCOc2ccccc2)nnc1-c1ccccc1 409094131 CWYZWAGMWAPJJT-UHFFFAOYSA-N 339.464 4.526 0 40 EJAB Cc1cc(OC(=O)C2CCCCC2)ccc1OC(=O)C1CCCCC1 383786 SNPMLVOXUCXUON-UHFFFAOYSA-N 344.451 4.966 0 40 EJAB Oc1ccccc1-c1nc(Oc2ccc(F)cc2)c2ccccc2n1 531210 RTXQVGSLEOXNRD-UHFFFAOYSA-N 332.334 4.934 0 40 EJAB O=C(NCc1ccccc1Cl)C(c1ccccc1)c1ccccc1 535650 KNNWHLIQUIHMKN-UHFFFAOYSA-N 335.834 4.788 0 40 EJAB CC[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccccc2F)N3)C1 4545379 GHPOYLXPLVUNHT-QFYYESIMSA-N 330.428 4.831 0 40 EJAB CCCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccco1)C2 4912818 HDXCGSWSNVXPSO-AWEZNQCLSA-N 343.423 4.566 0 40 EJAB Cc1ccccc1COc1ccccc1C(=O)NCc1cccs1 6083067 FKYVLQYPIOLENV-UHFFFAOYSA-N 337.444 4.566 0 40 EJAB O=C(/C=C/c1ccccc1Cl)NCC12CC3CC(CC(C3)C1)C2 6495623 GKPSAJHMXHLKTA-AATRIKPKSA-N 329.871 4.686 0 40 EJAB Cc1cc(C(=O)Nc2ccc(N3CCCCC3)cc2)c2ccccc2n1 7738068 KGRHLQHYELSTGA-UHFFFAOYSA-N 345.446 4.786 0 40 EJAB C[C@H]1CCCN(c2ncnc3cc(-c4ccc(F)cc4)sc23)C1 7987980 VKKHTTOUXUKWSK-LBPRGKRZSA-N 327.428 4.734 0 40 EJAB Cc1cc(C)cc(CSCc2nc3sc(C)c(C)c3c(=O)[nH]2)c1 8344096 TXGVIJDNDUYAIK-UHFFFAOYSA-N 344.505 4.652 0 40 EJAB Cc1ccc(O[C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)cc1 8496160 NWEDPMQCUCRKJC-SFHVURJKSA-N 345.442 4.668 0 40 EJAB CC[C@@H](C)c1ccc(N[C@@H](c2ccsc2)P(=O)(O)O)cc1 12526548 GFRMMYOFIZTLHS-IAQYHMDHSA-N 325.370 4.550 0 40 EJAB CCOC(=O)c1[nH]c(C)c(-c2csc(-c3ccccc3)n2)c1C 14102747 WQVOTOHFEDDULK-UHFFFAOYSA-N 326.421 4.599 0 40 EJAB O=C(NCc1ccc(OC(F)F)cc1)c1ccc(Cl)c(Cl)c1 19601356 WVOSSNJLLYQREG-UHFFFAOYSA-N 346.160 4.525 0 40 EJAB CC(C)(C)OC(=O)Nc1cn(C(=O)OC(C)(C)C)c2ccccc12 19735933 YYBMWALZCQDBPP-UHFFFAOYSA-N 332.400 4.772 0 40 EJAB O=C(Nc1ccc(F)cc1)c1ccc(CN2CCc3ccccc32)cc1 20492854 DEAXIUJAMXNTPD-UHFFFAOYSA-N 346.405 4.641 0 40 EJAB O=C(Nc1cccc(-c2nc3cnccc3o2)c1)c1cccc(Cl)c1 20717098 OECBOYRUIRXRTK-UHFFFAOYSA-N 349.777 4.796 0 40 EJAB Cc1ccc(C(=O)Nc2ccc(-n3nc(C)c(Cl)c3C)cc2)cc1 28573060 CDECYANFBHQMSR-UHFFFAOYSA-N 339.826 4.703 0 40 EJAB CCN(CC)c1ccc(NC(=O)c2cc(C)n(C(C)C)c2C)cc1 32978811 APSCEBDYIFYGDT-UHFFFAOYSA-N 327.472 4.784 0 40 EJAB Cc1ccc(CC(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)cc1 38771718 MXUUXYGAGBXANF-QHCPKHFHSA-N 329.443 4.752 0 40 EJAB O=C(O)Cc1ccc(-c2nc3cc(-c4ccccc4)ccc3o2)cc1 41127434 JGASKFDQJQDTJZ-UHFFFAOYSA-N 329.355 4.789 0 40 EJAB Cc1ccccc1-c1noc(NCc2ccccc2C(F)(F)F)n1 57354107 SKPHTOWJNJCFIG-UHFFFAOYSA-N 333.313 4.676 0 40 EJAB Cc1nc(-c2ccc(OCCOc3ccc4ccccc4c3)cc2)no1 58358123 BZPZZJDNIGWCPD-UHFFFAOYSA-N 346.386 4.656 0 40 EJAB CC(C)N(c1ncccc1[C@H]1CCCN1C(=O)OC(C)(C)C)C(C)C 72213014 UBPFQNROZNKOOE-QGZVFWFLSA-N 347.503 4.777 0 40 EJAB CC(C)(O)c1ccc(OCc2cc(-c3ccc(Cl)cc3)no2)cc1 95454287 MZDHFQQCZNHJIL-UHFFFAOYSA-N 343.810 4.801 0 40 EJAB Cc1cccc(-c2nn3c(-c4oc5ccccc5c4C)nnc3s2)c1 96194089 SJYROVJHVQCFJF-UHFFFAOYSA-N 346.415 4.883 0 40 EJAB CCCC[C@@H]1OC[C@@]2(COC(=O)NC(C)C)[C@H](C)C=C(C)[C@H]1[C@H]2C 100743070 CTQMHZOSXPTAQT-PKRADWSKSA-N 337.504 4.545 0 40 EJAB biogenic CC(=O)O[C@@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CCC(=O)C[C@H]1C[C@H]3C 118915085 LLEADQQVTIBBHB-QSDIKZEESA-N 346.511 4.776 0 40 EJAB O=C1S/C(=C/C=C\c2ccccc2)C(=O)N1Cc1ccccc1F 214379041 CBDYEVKJHITRPL-CGVLLOTDSA-N 339.391 4.618 0 40 EJAB Cc1ccccc1CSCC(=O)NCc1cccc2ccccc12 222827192 FQBHLTNHYYYDMX-UHFFFAOYSA-N 335.472 4.698 0 40 EJAB CCc1ccc(CC)c(CNC(=O)[C@@H](C)SCc2ccccc2)c1 223242153 MGWPCOLRRORKHH-MRXNPFEDSA-N 341.520 4.750 0 40 EJAB Cc1ccc(NC(=S)N[C@@H](C)c2ccc(C(C)(C)C)cc2)nc1 225408776 PNGDFFFPIOZWNR-AWEZNQCLSA-N 327.497 4.735 0 40 EJAB C[C@@H](O)c1cc(NCc2cc(-c3ccc(Cl)cc3)no2)ccc1F 585085643 RKVKWPVYFHIZIB-LLVKDONJSA-N 346.789 4.800 0 40 EJAB Cc1c(Cl)cccc1NC(=O)COc1ccc2ccccc2c1 493251 SLUGVCXNGDATJA-UHFFFAOYSA-N 325.795 4.819 0 40 EJAB CCCCNC(=O)CSc1cc(Cl)c(Cl)cc1Cl 1733057 YFIKQPWGXVDCSZ-UHFFFAOYSA-N 326.676 4.655 0 40 EJAB O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)C1CCCCC1 3355305 NRANFRLRLGRMHW-UHFFFAOYSA-N 325.437 4.582 0 40 EJAB O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(OC(F)F)cc1 3480780 RWBGLMIHQVZXQT-UHFFFAOYSA-N 346.358 4.664 0 40 EJAB O=C(Nc1ccccc1F)c1ccc2noc(-c3ccccc3)c2c1 5034753 ZCPVCXFVCFVPDH-UHFFFAOYSA-N 332.334 4.886 0 40 EJAB CCCc1ccc(C2=NN=C(Nc3ccccc3OC)SC2)cc1 5660429 DHUVPVOXLAJZRY-UHFFFAOYSA-N 339.464 4.567 0 40 EJAB Cc1ccc(C(=O)CN(C2=NCCCCC2)c2ccc(C)cc2)cc1 8411379 VQNWETQSCYOQOD-UHFFFAOYSA-N 334.463 4.965 0 40 EJAB O=C(c1ccc(Cl)cc1)N(Cc1ccco1)Cc1cccs1 9204271 MUAGBNXELUUMIS-UHFFFAOYSA-N 331.824 4.837 0 40 EJAB Cc1oc(-c2ccccc2)nc1C(=O)OCc1cccc2cccnc12 11215313 VJCZMZPHDMFUNS-UHFFFAOYSA-N 344.370 4.555 0 40 EJAB CCOc1ccccc1NC(=S)Nc1ccc(OC)c(Cl)c1 13935150 NZUUUHSWJJEGMZ-UHFFFAOYSA-N 336.844 4.556 0 40 EJAB CN1/C(=C\C(=O)Nc2ccc(Cl)cc2)C(C)(C)c2ccccc21 32690862 NAUNYHMPZOVZLL-ATVHPVEESA-N 326.827 4.590 0 40 EJAB c1cncc(-c2nc(N3CC[C@H]4CCCC[C@@H]4C3)c3ccccc3n2)c1 35277479 OMPIEIUHJRIKOH-SJLPKXTDSA-N 344.462 4.708 0 40 EJAB O=C(NCc1cc2cc(F)ccc2s1)C12CC3CC(CC(C3)C1)C2 36398027 VISJQCMMTCDNHC-UHFFFAOYSA-N 343.467 4.873 0 40 EJAB Cn1c(Sc2ccc(-c3cccnc3)n2C)ccc1-c1cccnc1 37868639 KJMDINXKZZGZAN-UHFFFAOYSA-N 346.459 4.639 0 40 EJAB in-vitro CCc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 40913176 ZNLQFKMUVMEHGB-CQSZACIVSA-N 331.843 4.925 0 40 EJAB CC(C)c1ccccc1NC(=O)c1cc(-c2cccs2)nn1C 42383508 XTEVGZLEYRYZST-UHFFFAOYSA-N 325.437 4.524 0 40 EJAB COc1ccccc1NC(=O)[C@H](C)N[C@@H](C)c1cccc2ccccc12 56851984 LEASASBMIQNXAC-HOTGVXAUSA-N 348.446 4.526 0 40 EJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc(C)c(C)c1 59351332 UVPOHXMFEYIHOQ-BEFAXECRSA-N 345.870 4.992 0 40 EJAB CC[C@H](Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)c1ccc(Cl)cc1 78972549 ONGNSVCFVFAFRC-ABAIWWIYSA-N 330.815 4.623 0 40 EJAB CCOC(=O)C[C@@H](c1ccccc1)c1ccc(Br)cc1 82238001 XXGMGHNYWPBFNH-INIZCTEOSA-N 333.225 4.534 0 40 EJAB C[C@H](N[C@@H](c1ccccc1)C1CCCCC1)c1nnc2ccccn12 95350754 XMNOPTVIEGMIKN-JXFKEZNVSA-N 334.467 4.702 0 40 EJAB O=C1S/C(=C\c2c(F)cccc2Cl)C(=O)N1c1ccccc1 208710593 OKOJNZPSJWCSPW-ZROIWOOFSA-N 333.771 4.720 0 40 EJAB CCOc1ccccc1NC(=S)NC[C@@H](CC)Cc1ccccc1 225630159 CSNZLLCUKCLYBP-INIZCTEOSA-N 342.508 4.641 0 40 EJAB Cc1ccc(OC[C@@H](C)NC(=S)Nc2ccc(C(C)C)cc2)cc1 225639496 WCANWKTUTWXIFS-MRXNPFEDSA-N 342.508 4.872 0 40 EJAB CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OC2CCCC2)cc1 225687817 XRQUNOZMUDHFKI-HXUWFJFHSA-N 333.472 4.788 0 40 EJAB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCCC)nc1 225897409 CDCBOPYDPJYNHN-LJQANCHMSA-N 336.476 4.575 0 40 EJAB CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCC)c2ncccc12 225906172 RPGMMUJFUAAWBA-FQEVSTJZSA-N 344.455 4.557 0 40 EJAB Fc1cccc(-c2nccnc2[C@H]2CCCN(C3CCCCC3)C2)c1 257281565 OPWIUZLVAZGWTA-KRWDZBQOSA-N 339.458 4.795 0 40 EJAB CCCCSc1nnc(Cc2ccccc2)n1-c1ccc(F)cc1 409100216 VNQZUBKNRAOFNM-UHFFFAOYSA-N 341.455 4.889 0 40 EJAB O=C(O)/C(=C\c1ccc(OCc2ccccc2)cc1)c1ccccc1 169773 GHIXOMKXVXTZOO-QNGOZBTKSA-N 330.383 4.891 0 40 EJAB COc1ccc(NC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1 483550 BOPDHGRHKGHMHM-UHFFFAOYSA-N 344.370 4.756 0 40 EJAB Cc1ccc(N2C[C@@H](c3nc4ccccc4n3CC(C)C)CC2=O)cc1 534337 FBOBCBDQECXGCR-KRWDZBQOSA-N 347.462 4.521 0 40 EJAB Cc1ccc(NC(=O)[C@H](C)n2c(C(F)(F)F)nc3ccccc32)cc1 1394811 NCWMPCUJKALMBL-LBPRGKRZSA-N 347.340 4.563 0 40 EJAB CC[C@@H](C)c1ccc(OC[C@@H](C)OC(=O)Cc2ccccc2)cc1 1583819 CTQBRBWGLVRKAV-IAGOWNOFSA-N 326.436 4.753 0 40 EJAB COc1cccc(/C=C/C(=O)Nc2cc(C(C)(C)C)ccc2OC)c1 2628956 XYQMQGQUBMYVEN-FMIVXFBMSA-N 339.435 4.653 0 40 EJAB Cc1ccc([C@H]2Nc3ccccc3C(=O)N2[C@@H](C)c2ccccc2)o1 8160168 NPBZZUSYPKCCOE-YWZLYKJASA-N 332.403 4.916 0 40 EJAB COc1ccc(-c2csc3ncnc(Oc4cccnc4)c23)cc1 9365441 HPGRLXMAZJONSF-UHFFFAOYSA-N 335.388 4.554 0 40 EJAB O=C(c1ccccc1Cl)N1CCC(c2nc3ccccc3o2)CC1 11913966 GGEQCOQLISFKPB-UHFFFAOYSA-N 340.810 4.501 0 40 EJAB COc1ccc(N(Cc2cccs2)C(=O)c2ccccc2F)cc1 11916511 GBYLYEDRLLDLSS-UHFFFAOYSA-N 341.407 4.743 0 40 EJAB CCCC[C@@H]1OC[C@@]2(COC(=O)NC(C)C)[C@@H](C)C=C(C)[C@@H]1[C@H]2C 12657740 CTQMHZOSXPTAQT-NMDDUFOESA-N 337.504 4.545 0 40 EJAB Cc1nc(-c2cccs2)sc1C(=O)NCc1cccc(Cl)c1 12808014 AXTNWOOZTIHYHK-UHFFFAOYSA-N 348.880 4.763 0 40 EJAB O=C(Nc1cccc(Cl)c1)N[C@@H]1CCSc2c(F)cccc21 12913941 RWVGOLPJZZQETL-CQSZACIVSA-N 336.819 4.838 0 40 EJAB Cc1nc2cc(F)ccc2cc1C(=O)N[C@@H](C)c1cc2ccccc2o1 12923845 UPQKMHSHGXKKNQ-ZDUSSCGKSA-N 348.377 4.920 0 40 EJAB Cc1ccc(/C=C/C(=O)OCc2csc(-c3ccccc3)n2)cc1 14126156 UTGXYUWFZBSCTR-VAWYXSNFSA-N 335.428 4.875 0 40 EJAB O=C(CCc1ccco1)N1CCc2sccc2[C@H]1c1cccs1 14180928 JPEONVCDZPXUBK-SFHVURJKSA-N 343.473 4.510 0 40 EJAB CC[C@H](Oc1ccccc1[C@@H](C)CC)C(=O)Nc1ccc(N)cc1C 19736779 PBVZXKRMTXAWOD-LIRRHRJNSA-N 340.467 4.887 0 40 EJAB CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@@H](C)c1ccc(C)cc1C 20452755 SYWZCQRUOLSTNQ-FXAWDEMLSA-N 325.452 4.647 0 40 EJAB O=C(N1CCC[C@@H]1c1cccc(F)c1)C12CC3CC(CC(C3)C1)C2 20899924 BEUVDAZQVWLLOE-KXDMBUCYSA-N 327.443 4.706 0 40 EJAB CCOc1ccc(-c2cc(C(=O)Nc3c(C)cccc3C)no2)cc1 27744720 VPUCECGHVVFBSC-UHFFFAOYSA-N 336.391 4.609 0 40 EJAB COc1ccc(CC(=O)Nc2ccc3[nH]c4ccccc4c3c2)cc1 44781756 HLAIOEXRBCDVKW-UHFFFAOYSA-N 330.387 4.511 0 40 EJAB Cc1ccc(CC(=O)N[C@@H](CC(C)C)c2nc3ccccc3[nH]2)cc1C 49574791 MUIGHBPFQYLCMX-FQEVSTJZSA-N 349.478 4.626 0 40 EJAB C[C@@H]1CCCN(C(=O)C23C[C@H]4C[C@@H](C2)CC(c2ccccc2)(C4)C3)C1 58208983 PAQKQWJYRKLVNC-WUYXUBFHSA-N 337.507 4.783 0 40 EJAB CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@@H](C)c1ccc(C)c(C)c1 59351317 ULZLZXMBLSSVTQ-ICSRJNTNSA-N 339.479 4.955 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)c(C)c1 59351642 OSOVGVSUEQFVOB-HZPDHXFCSA-N 345.870 4.910 0 40 EJAB O=C(Cc1ccc(F)cc1)N(Cc1ccccc1)Cc1ccccc1 75244733 IPUKHELROBVMKS-UHFFFAOYSA-N 333.406 4.597 0 40 EJAB COc1ccc(NC(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)cc1 80344379 QYFQDLONUPANAG-HOTGVXAUSA-N 336.218 4.744 0 40 EJAB CC(C)Oc1c(Cl)cc(Br)cc1Br 90413652 FJSXYXRBTBLZOT-UHFFFAOYSA-N 328.431 4.652 0 40 EJAB O=C1OC(c2ccc(O)cc2)=C(c2ccccc2)[C@H]1c1ccccc1 104119496 MHRDCDSIYBQARQ-HXUWFJFHSA-N 328.367 4.601 0 40 EJAB CCSc1ccccc1C(=O)NCc1cccc(OC(C)C)c1 113958504 QNUOYJAQOUPEJF-UHFFFAOYSA-N 329.465 4.516 0 40 EJAB CC(C)[C@H]1C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1=O 118934569 HSPBAJZIILLPKZ-NJCVSEFDSA-N 330.512 4.761 0 40 EJAB CC(=O)[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(C)O)[C@@H]3CC[C@@H]2C1 118934783 XWDRJXANNWFPCX-SGIOEENZSA-N 332.528 4.985 0 40 EJAB Cc1ccc(C)c(C(=O)NCCSCc2ccc(Cl)cc2)c1 224422830 XJXAZUTYGLWJMY-UHFFFAOYSA-N 333.884 4.620 0 40 EJAB CCOCc1cc(C(=O)Nc2ccccc2SC)ccc1OCC 224700120 REMXLTNGCBJBCM-UHFFFAOYSA-N 345.464 4.596 0 40 EJAB Fc1ccc(CNC(=S)Nc2ccc(OC3CCCC3)cc2)cc1 225445163 XTVYUEZRKHCYMM-UHFFFAOYSA-N 344.455 4.634 0 40 EJAB CCCOc1c(C)cc(NC(=O)[C@@]2(OC)CCC[C@H](C)C2)cc1C 225638149 HKZOCNWAJWZMPX-VBKZILBWSA-N 333.472 4.626 0 40 EJAB CCCOC1(C(=O)Nc2ccc(O[C@H](C)CC)c(C)c2)CCCC1 225655617 DUJYXGQSMFKMKN-MRXNPFEDSA-N 333.472 4.850 0 40 EJAB O=C(N[C@@H](c1ccsc1)c1cccs1)c1c(F)cccc1F 390826396 JVOQNCMGDMBZTB-HNNXBMFYSA-N 335.400 4.607 0 40 EJAB O=C(c1ccc(Oc2ccccc2)cc1)C(F)(F)Br 575359082 RMTKRUVAJLRBDC-UHFFFAOYSA-N 327.124 4.649 0 40 EJAB O=C(CCSc1ccccc1)NCc1cc(-c2ccco2)cs1 1775968383 FCXRBXVLLIPEGT-UHFFFAOYSA-N 343.473 4.807 0 40 EJAB O=C(NCCc1ccc(-c2ccco2)s1)c1cc2ccccc2o1 2086896932 ZTYYUQPPJQQMEO-UHFFFAOYSA-N 337.400 4.727 0 40 EJAB COc1ccc(-c2c(-c3ccccc3)c3ccc(O)cc3oc2=O)cc1 58061 RUNKFNRKRKBFRU-UHFFFAOYSA-N 344.366 4.841 0 40 EJAB biogenic,in-vitro COC(=O)c1ccc(CSc2cc(C)c3cccc(C)c3n2)o1 3446590 SRMCSVDJIXFMCA-UHFFFAOYSA-N 327.405 4.524 0 40 EJAB CC(C)C(=O)Nc1ccc(C(=O)Nc2cccc3ccccc23)cc1 4503096 GGCLHYLMDBFQOY-UHFFFAOYSA-N 332.403 4.687 0 40 EJAB C=CNCCc1nc2ccccc2n1Cc1c(Cl)cccc1Cl 5235849 YADHPVXALDBIGE-UHFFFAOYSA-N 346.261 4.667 0 40 EJAB Cc1ccc(-n2c(S)nnc2Cc2cccc3ccccc23)c(C)c1 6183799 IAVUBXLLTJHRKX-UHFFFAOYSA-N 345.471 4.917 0 40 EJAB CCc1ccc(C(=O)Nc2nc(-c3ccc(OC)cc3)cs2)cc1 6341636 IYKIHEKDWKIRGF-UHFFFAOYSA-N 338.432 4.633 0 40 EJAB CC[C@H](C)c1ccccc1OC[C@H](O)CN(CC)C1CCCCC1 6356050 HUHCJNJBZMWXPS-PKOBYXMFSA-N 333.516 4.594 0 40 EJAB Cc1cccc(NC(=O)N(Cc2c(F)cccc2Cl)C2CC2)c1 12758577 XFBIDJSJPXCQIZ-UHFFFAOYSA-N 332.806 4.984 0 40 EJAB O=C(NCCSc1ccccc1)c1cc(Cl)ccc1Cl 14246169 YGFYDRPIUBUYNG-UHFFFAOYSA-N 326.248 4.516 0 40 EJAB CC(C)(C)C(=O)[C@@H](C(=O)C(F)(F)F)C12CC3CC(CC(C3)C1)C2 19874254 WSASGHMQGPVLPU-RQYMUSGFSA-N 330.390 4.566 0 40 EJAB Cc1cc(C)n(-c2ccc(NC(=O)C3(c4ccccc4)CCC3)cc2)n1 24760464 CNLDNMBKIABDRZ-UHFFFAOYSA-N 345.446 4.550 0 40 EJAB COCc1cccc(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c1 29144938 CQHMWBIVPFJDKY-GFCCVEGCSA-N 335.856 4.606 0 40 EJAB Cc1ccc(C)c([C@@H](C)NC(=O)[C@@H](C)Oc2cccc(Cl)c2)c1 38754896 MTHWGEIGOPSXBK-HUUCEWRRSA-N 331.843 4.602 0 40 EJAB Cc1cc(C(=O)Nc2ccccc2N2CCCC2)c(C)n1C(C)C 40162188 GSOUGIOYHRUMBT-UHFFFAOYSA-N 325.456 4.538 0 40 EJAB CC(C)(C(=O)NCC(c1ccccc1)c1ccccc1)c1ccccc1 69318036 SAQSUNOIEPZCNY-UHFFFAOYSA-N 343.470 4.913 0 40 EJAB O=C(Nc1ccccc1-c1ccccc1)N[C@H]1CCOc2ccccc21 84562829 NGDGFOFXGHQJQP-FQEVSTJZSA-N 344.414 4.999 0 40 EJAB CC[C@@](CNC(=O)c1cccc2ccccc12)(OC)c1ccccc1 96123704 PZXUJHSIHPHZLF-QFIPXVFZSA-N 333.431 4.522 0 40 EJAB C[C@@H](Sc1ccccc1)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 222905324 GDXHYLLRFSWFGD-HZPDHXFCSA-N 339.504 4.923 0 40 EJAB Cc1nc2oc(-c3ccccc3)nc2cc1NC(=O)c1cccc(F)c1 225626278 MYSSQUPZZZQJEQ-UHFFFAOYSA-N 347.349 4.590 0 40 EJAB CCN(CC)C(=O)n1nc(Nc2ccccc2)cc1Nc1ccccc1 575442840 GDSGDSGYAQTHEL-UHFFFAOYSA-N 349.438 4.680 0 40 EJAB CCOc1cc(-c2nc(O)c3ccccc3n2)ccc1O[C@@H](C)CC 1505840468 MJMCZNFUEAGLCB-ZDUSSCGKSA-N 338.407 4.578 0 40 EJAB CCCCc1ccc(N(C)C(=O)[C@H]2CCc3cc(C)ccc3O2)cc1 1525023213 OQQHTSBBXWREAF-OAQYLSRUSA-N 337.463 4.694 0 40 EJAB Fc1cccc(OCc2cccc(NCc3cccc4c3OCC4)c2)c1 1661810813 GKWVSKAVOHKKSC-UHFFFAOYSA-N 349.405 4.952 0 40 EJAB COc1ccc(-c2nc3ccccc3n2Cc2ccc(F)cc2)cc1 104766 OLZLQFKUNOLZIL-UHFFFAOYSA-N 332.378 4.899 0 40 EJAB COc1ccc(/C=C/C(=O)Nc2c(C)cc(C)cc2Cl)cc1OC 145262 AFQBDAQCXZCGLM-SOFGYWHQSA-N 345.826 4.626 0 40 EJAB CC1(C)Cc2c(ccc3ccccc23)-c2nnc(-c3cccc(N)c3)n21 524273 NMERGTYQVMBOAZ-UHFFFAOYSA-N 340.430 4.639 0 40 EJAB O=C(O[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1ccco1 3537690 YMSAJWLNSIOSDG-FQEVSTJZSA-N 345.354 4.542 0 40 EJAB COc1ccc(NC(=O)[C@H](C)c2ccc(CC(C)C)cc2)cc1OC 4666395 BFTPFHZNWZGPHY-OAHLLOKOSA-N 341.451 4.645 0 40 EJAB Cc1ccc(-c2cnc(NCc3ccc(Cl)cc3)n2C)cc1C 4678731 APXBCLPACYAOKL-UHFFFAOYSA-N 325.843 4.969 0 40 EJAB CSc1cccc2sc(NC(=O)c3ccccc3Cl)nc12 5299211 YUZIHYCLLTZGRD-UHFFFAOYSA-N 334.853 4.924 0 40 EJAB O=C(Nc1ccc(N2CCCCC2=O)cc1)Nc1cccc(Cl)c1 5441297 YJAAXFBEESNNLJ-UHFFFAOYSA-N 343.814 4.501 0 40 EJAB CC(C)OC(=O)c1ccc(NC(=O)c2ccc3ccccc3c2)cc1 6151752 VJOFMCYNCLZKAE-UHFFFAOYSA-N 333.387 4.657 0 40 EJAB CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCc2ccccc21 6821249 MAJCHZLNBNPGMG-UHFFFAOYSA-N 336.479 4.935 0 40 EJAB Cc1cc2nc(NC(=O)c3cc(Cl)cc(Cl)c3)[nH]c2cc1C 6826328 OJBSADCJFUDJCQ-UHFFFAOYSA-N 334.206 4.739 0 40 EJAB O=C(CCSc1ccccc1)Nc1ccc(Br)cc1 8206027 DAFBUUFIWRBAAC-UHFFFAOYSA-N 336.254 4.570 0 40 EJAB C[C@@H](c1ccccc1)N(C)C(=O)c1csc(-c2ccc(F)cc2)n1 8404817 INAYKFQHGRYLIV-ZDUSSCGKSA-N 340.423 4.782 0 40 EJAB Cc1ccc2nc(C)c(CN3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c(O)c2c1 8700918 ZVQPHRCZKRHKQI-AOMKIAJQSA-N 338.495 4.958 0 40 EJAB Cc1cccc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)c1 12912883 ODSKVVZEQMAGLA-MRXNPFEDSA-N 336.460 4.625 0 40 EJAB Cc1nc(-c2ccsc2)sc1C(=O)Nc1cc(F)cc(F)c1 12981480 BEVZBHIFKWEBRE-UHFFFAOYSA-N 336.388 4.711 0 40 EJAB CC(C)=CCC/C(C)=C/Cc1c(O)cc(O)c(C(=O)C(C)C)c1O 15120709 TXDNBNXWWCEVMG-NTEUORMPSA-N 332.440 4.877 0 40 EJAB biogenic C[C@H]1Cc2ccccc2N1C(=O)C12C[C@@H]3C[C@@H](CC(Cl)(C3)C1)C2 16022891 RPGLWNQAGYWZSU-TUISQQNRSA-N 329.871 4.542 0 40 EJAB O=C(NCCSCc1ccccc1F)Nc1cccc(Cl)c1 18179059 OHDICBGGYWATES-UHFFFAOYSA-N 338.835 4.534 0 40 EJAB COc1ccccc1Nc1ncccc1C(=O)Nc1c(C)cccc1C 22073092 ICUNAZZQXRINFJ-UHFFFAOYSA-N 347.418 4.703 0 40 EJAB Cc1c(C(=O)Nc2ccccc2F)oc2cc(Br)ccc12 28228459 OWILFGINRGBTQE-UHFFFAOYSA-N 348.171 4.895 0 40 EJAB C[C@H](NC(=O)c1ccc(CN2CCCCCC2)cc1)c1ccccc1 38832877 KOADSMKSUDVOOI-SFHVURJKSA-N 336.479 4.554 0 40 EJAB O=C(CSc1ccc(F)cc1)NC1c2ccccc2-c2ccccc21 39975970 XJPVQKFNUBHNCS-UHFFFAOYSA-N 349.430 4.804 0 40 EJAB COc1ccc([C@@H]2CCCCCN2C(=O)c2ccnc(Cl)c2)cc1 48332454 ZLHZRDBFEPFATQ-KRWDZBQOSA-N 344.842 4.501 0 40 EJAB COc1cc(CN[C@@H](C)c2ccc(Cl)cc2Cl)cc(OC)c1 57681657 CVMDWBSIEASELO-NSHDSACASA-N 340.250 4.861 0 40 EJAB CC(C)c1nc(CN2CCC[C@H](c3nc4ccccc4o3)C2)cs1 58052793 ULJIZFAXAGSVIN-AWEZNQCLSA-N 341.480 4.787 0 40 EJAB CCc1cccc(NC(=S)Nc2cccc(OC(F)(F)F)c2)c1 71326259 AHVJQOFSQJJJJS-UHFFFAOYSA-N 340.370 4.957 0 40 EJAB Cc1cc([C@@H]2CCCCN2Cc2ccccc2)cnc1N1CCCC1 72218826 QSFPFLFQKYVMHE-NRFANRHFSA-N 335.495 4.717 0 40 EJAB CCCc1cc(=O)oc2c(C)c(O)c(-c3cc4ccccc4[nH]3)cc12 96343745 QUUBIGFJXHUWQP-UHFFFAOYSA-N 333.387 4.908 0 40 EJAB CC(C)(C)c1ccc(/C=C2\CCn3c2nc(=O)c2ccccc23)cc1 96480671 OXDXVZXXCFZAPG-JQIJEIRASA-N 330.431 4.638 0 40 EJAB CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)/C=C/c1cccs1 97000071 SJFVMQPDMBEDSD-WTWCKAPFSA-N 325.477 4.946 0 40 EJAB C[C@H](C(=O)Nc1cccc(F)c1)c1cccc(C(=O)c2ccccc2)c1 98073287 LZLMLHPTWOVKMX-HNNXBMFYSA-N 347.389 4.799 0 40 EJAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)Nc2nc3ccccc3s2)C1 104438239 UBRLRBQOZWPXDL-KPZWWZAWSA-N 329.469 4.729 0 40 EJAB O=C1c2cc3ccccc3cc2C(=O)N1c1ccc(Cl)c(Cl)c1 109764450 JJGABSQYIIINCK-UHFFFAOYSA-N 342.181 4.947 0 40 EJAB CC[Sn](CC)(CC)SCc1ccccc1 195775827 NESXYLOEHCHRBD-UHFFFAOYSA-M 329.097 4.925 0 40 EJAB O=C(NCc1cccs1)N1CCCC[C@@H](c2ccc(Cl)cc2)C1 206881588 SSLRNGHYOQCRDD-OAHLLOKOSA-N 348.899 4.881 0 40 EJAB C[C@H](NC(=O)c1ccc2c(c1)CCCC2)c1ccc2c(c1)CCCC2 223009116 FGWSYDOQYAQGKT-INIZCTEOSA-N 333.475 4.935 0 40 EJAB CCOc1ccc(C(=O)NC(C)C)cc1CSc1ccccc1 224648698 QFFYAJIXKPCFLB-UHFFFAOYSA-N 329.465 4.516 0 40 EJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CCCc2ccccc21 225018492 XBUKOHHBPPODOF-QFIPXVFZSA-N 349.474 4.702 0 40 EJAB CC(C)CO[C@@H](Cc1ccccc1Sc1ccccc1)C(=O)O 225132746 DAEPPSQZFUUSOG-KRWDZBQOSA-N 330.449 4.506 0 40 EJAB Cc1cc(C)cc(NC(=S)NCCCc2ccc(Cl)cc2)c1 225542891 NZTXWXQLEJJOBA-UHFFFAOYSA-N 332.900 4.876 0 40 EJAB COC1(C(=O)Nc2cc(C)c(OC(C)C)c(C)c2)CCCCCC1 225632268 BWLNOAHLBDIGAN-UHFFFAOYSA-N 333.472 4.769 0 40 EJAB COc1ccc2c(c1)CCC[C@@H]2NC(=S)Nc1cccc(Cl)c1 225702322 KFTBBBHEVDJTIH-KRWDZBQOSA-N 346.883 4.713 0 40 EJAB Cc1cc(Cl)ccc1NC(=O)c1cc2cc(Cl)ccc2oc1=O 226041372 APJHPDTUYFFASN-UHFFFAOYSA-N 348.185 4.661 0 40 EJAB O=C(O)c1cccc2c1N[C@H](c1ccc(F)cc1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]21 245228011 XRZXZBRJZSEQSF-RJYYBVGHSA-N 337.394 4.820 0 40 EJAB Cc1ccc(C2=NN(C(=O)c3ccccc3C)[C@@H](c3ccco3)C2)cc1 385971 CSTODFSXMPBQTQ-HXUWFJFHSA-N 344.414 4.888 0 40 EJAB O=C1CS[C@@H](c2ccc(Cl)cc2Cl)N1c1ccc(F)cc1 423863 BPHUCTYBRVDPGG-HNNXBMFYSA-N 342.222 4.911 0 40 EJAB CC(C)(C)N(Cc1ccccc1)C(=O)c1ccc(Br)cc1 516039 IAFGBVNMKBIDEW-UHFFFAOYSA-N 346.268 4.890 0 40 EJAB FC(F)(F)c1cc(Sc2ccccc2)nc(-c2ccccn2)n1 1384881 VPTCZAKDARKHLQ-UHFFFAOYSA-N 333.338 4.709 0 40 EJAB CCC(=O)N(CC[C@@H](C(C)C)[C@@H]1CCOC(C)(C)C1)Cc1ccco1 2106209 LSPWQLQHZZKYDW-MJGOQNOKSA-N 349.515 4.886 0 40 EJAB biogenic Cc1ccccc1Nc1ncc(-c2nc3cc(Cl)ccc3o2)cn1 3031011 BTUCPCYJGWLIIL-UHFFFAOYSA-N 336.782 4.990 0 40 EJAB CC(C)(C)NC(=O)/C(=C/c1ccc(OC(F)F)cc1)c1ccccc1 3171041 NILLNGZAXXGFPC-GHRIWEEISA-N 345.389 4.743 0 40 EJAB C[C@H](N[C@H]1CCCc2ccccc21)C(=O)Nc1ccc2ccccc2c1 3476761 AOFYTWRPMZATHC-AOMKIAJQSA-N 344.458 4.834 0 40 EJAB Cc1cc(-n2c(C)cc(C(=O)CSc3ccc(F)cc3)c2C)no1 3555016 RFNUZMXVCNISOU-UHFFFAOYSA-N 344.411 4.505 0 40 EJAB CCOc1ccccc1[C@H]1N=C(O)c2c(sc3c2CC[C@@H](C)C3)N1 4571623 OJHIAYJMXSPZDW-DIFFPNOSSA-N 342.464 4.701 0 40 EJAB C[C@H]1N(C)c2cc(NC(=O)/C=C/c3ccc(F)cc3)ccc2C1(C)C 4869302 DNNFOJSNIWQBTN-WEKMIXOTSA-N 338.426 4.594 0 40 EJAB O=C(O)c1cc(N/N=C/c2cccc(Cl)c2Cl)ccc1Cl 4922430 VDPRRYUFVWYWND-CNHKJKLMSA-N 343.597 4.791 0 40 EJAB CSc1ccc2nc(NC(=O)c3c(F)cccc3F)sc2c1 5299151 YHGNZYBKTKETHM-UHFFFAOYSA-N 336.388 4.549 0 40 EJAB CCCSc1ncc(Cl)c(C(=O)Nc2ccc(Cl)cc2)n1 6810508 LWDSYGVTLDOWOD-UHFFFAOYSA-N 342.251 4.538 0 40 EJAB C[C@H](NC(=O)CSc1ccc2ccccc2c1)c1ccc(F)cc1 6850166 NDCJIAQULVBFBM-AWEZNQCLSA-N 339.435 4.948 0 40 EJAB CCOc1cc(CNCc2ccc(C)cc2)cc(Cl)c1OCC 7538056 CJDDUUMOWZSTGJ-UHFFFAOYSA-N 333.859 4.736 0 40 EJAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1cccc(Cl)c1Cl 8040907 BITWDLPPPHNJHR-CYBMUJFWSA-N 342.197 4.929 0 40 EJAB CCCCc1ccc2nc(C)c(CN3CCCC[C@H]3C)c(O)c2c1 8717225 ODNRMWTVUNTCHN-OAHLLOKOSA-N 326.484 4.966 0 40 EJAB CCn1c(NC(=O)c2cccc(Cl)c2Cl)nc2ccccc21 10651464 QEWGYXGDVAEERW-UHFFFAOYSA-N 334.206 4.615 0 40 EJAB Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Nc1ccc2c(c1)CCC2 12765959 ZHCQCXBAWKGOPM-CYBMUJFWSA-N 328.843 4.576 0 40 EJAB CC(C)c1cc(C(=O)N2CCc3ccccc3C2)c2ccccc2n1 12977450 HFFIFROUSFKWNL-UHFFFAOYSA-N 330.431 4.557 0 40 EJAB Cc1ccc(CCCNC(=O)CCSc2ccc(Cl)cc2)cc1 13673386 KGAZLWJUEAWCAW-UHFFFAOYSA-N 347.911 4.880 0 40 EJAB CCOc1ccc(NC(=S)N[C@H](C)c2ccc(C)c(C)c2)cc1 13930911 YIFGRMYEHQFCLA-OAHLLOKOSA-N 328.481 4.750 0 40 EJAB CC(=O)Nc1cccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c1 15421982 CQYKCSUNEBJQIH-UHFFFAOYSA-N 346.386 4.690 0 40 EJAB FC(F)(F)c1ccc(NC(=S)NCc2ccccc2Cl)cc1 17071938 KGYMIFVTLKMTPI-UHFFFAOYSA-N 344.789 4.845 0 40 EJAB COc1ccc(-c2cc(C(=O)Nc3ccc(C)c(Cl)c3)no2)cc1 21786497 MKDVXNXCGOCWPY-UHFFFAOYSA-N 342.782 4.564 0 40 EJAB CCc1ccccc1NC1=NC(=O)/C(=C\c2ccccc2Cl)S1 35043320 JLTDLKWIEKCWDJ-LFIBNONCSA-N 342.851 4.985 0 40 EJAB Cc1cc(CSc2nc3ccccc3n2CCc2ccccc2)on1 36790897 UDCDSYQRIJBXCD-UHFFFAOYSA-N 349.459 4.868 0 40 EJAB CC(C)C(=O)Nc1ccc(NC(=O)NC2CCCCCCC2)cc1 40104018 GKCDTNHMWLRMJW-UHFFFAOYSA-N 331.460 4.516 0 40 EJAB COCc1ccccc1C(=O)NCc1ccccc1Oc1ccccc1 60182939 AJKIJGNGHYMRAF-UHFFFAOYSA-N 347.414 4.555 0 40 EJAB Cc1cc(C)c(C(=O)[C@H](C)Sc2nnc(C3CC3)s2)cc1C 74796673 LMYYHZPMWUCNEK-LBPRGKRZSA-N 332.494 4.704 0 40 EJAB CC1(C)CC[C@H](NC(=O)N2CCc3sccc3C2)c2ccccc21 95390034 WPSQXANJRHMBPI-KRWDZBQOSA-N 340.492 4.629 0 40 EJAB O=C(NCc1ccccc1-c1ccsc1)c1ccc2[nH]ccc2c1 96122926 FAHNGJXAPZUBGN-UHFFFAOYSA-N 332.428 4.826 0 40 EJAB CC(=O)Nc1ccc(CNc2cccc(C3SCCS3)c2)cc1 96482761 KOJRSXJHQJYEJQ-UHFFFAOYSA-N 344.505 4.736 0 40 EJAB C/C(=C\c1cccc(NC(=O)c2ccccc2Cl)c1)c1cnccn1 180382289 BBQIFENEFAFEEL-SDNWHVSQSA-N 349.821 4.943 0 40 EJAB CCSc1ccccc1NC(=O)[C@@H](CC)Oc1ccc(C)cc1 219593509 IPPLBESNYQCBJM-QGZVFWFLSA-N 329.465 4.903 0 40 EJAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)c1 222769506 LDGNQYMJWGFWJL-HZPDHXFCSA-N 343.442 4.902 0 40 EJAB C[C@H](CNC(=O)c1cccc(OCc2ccccc2)c1)c1ccccc1 224270635 RILYREJCCUTIEE-GOSISDBHSA-N 345.442 4.799 0 40 EJAB CCO[C@@](C)(CC(C)C)C(=O)Nc1cc(C)c(OC(C)C)c(C)c1 225690532 IFXCBKHDPDIMND-FQEVSTJZSA-N 335.488 4.870 0 40 EJAB CCOc1c(C)cc(NC(=O)[C@]2(OCC)CCC[C@@H](C)C2)cc1C 225717928 IKAQHDQGGLGVDM-VLIAUNLRSA-N 333.472 4.626 0 40 EJAB CCCOc1ccc(NC(=O)[C@@](C)(CCC)OC)c2ccccc12 225797680 AGECDAJPXAMVOV-HXUWFJFHSA-N 329.440 4.772 0 40 EJAB CCC[C@](C)(OCC)C(=O)Nc1ccc(OCC)c2ccccc12 225822806 SIXQSPAQLKGRNH-FQEVSTJZSA-N 329.440 4.772 0 40 EJAB CCc1c(C(F)F)[nH]c2ccc(OCc3ccccc3)cc2c1=O 685938075 JBPRKPAHEGQTFG-UHFFFAOYSA-N 329.346 4.607 0 40 EJAB CC[C@@H](C(=O)NCc1cc(-c2ccoc2)cs1)c1ccccc1 1775969904 REKMNKCOQQRDBJ-GOSISDBHSA-N 325.433 4.818 0 40 EJAB CC[C@@H]1CCCCN1CC(=O)Nc1ccccc1Oc1ccccc1 36361 ZJHLPDLPHAUBCH-QGZVFWFLSA-N 338.451 4.682 0 40 EJAB CC1(C)CN=C(N(C(=O)Nc2ccccc2)c2ccc(F)cc2)S1 162093 JXTQYQKHKKLUSL-UHFFFAOYSA-N 343.427 4.746 0 40 EJAB CCn1c(SC(C)C)nnc1-c1cc(-c2ccccc2)sc1N 383372 YNZLMCFNWQOIMK-UHFFFAOYSA-N 344.509 4.776 0 40 EJAB CC(C)Oc1ccc(CNC(=O)C[C@@H](c2ccco2)C(C)C)cc1 489318 OZSKKVJNZIVVQO-GOSISDBHSA-N 329.440 4.513 0 40 EJAB biogenic Clc1cccc(-n2c(-c3ccco3)nc3nc4ccccc4nc32)c1 508190 AFLSAAWIHBWHFS-UHFFFAOYSA-N 346.777 4.882 0 40 EJAB CCc1cccc(C)c1NC(=O)COc1ccc(C(C)(C)C)cc1 513708 NOLMIQMCIAZLCW-UHFFFAOYSA-N 325.452 4.872 0 40 EJAB O=C(c1ccccc1)[C@H]1C(c2ccccc2)[C@@H]1C(=O)c1ccccc1 1674358 PWMYSWOKRDUMGE-SFTDATJTSA-N 326.395 4.782 0 40 EJAB CCCCCOc1ccc(NC(=O)/C=C/c2ccccc2OC)cc1 1782306 FUNBCBYHUWQRJX-XNTDXEJSSA-N 339.435 4.916 0 40 EJAB CCCOc1ccc(/C=C/C(=O)Nc2cc(C)ccc2C)cc1OC 1934653 ONGFENLEHDMXFH-PKNBQFBNSA-N 339.435 4.753 0 40 EJAB COC(=O)c1ccc(CSc2nc3cc(Cl)ccc3s2)o1 3423384 VYYBGLNCXKXGQF-UHFFFAOYSA-N 339.825 4.622 0 40 EJAB O=C(Nc1cccc(Cl)c1)N(Cc1ccccc1)c1ccccn1 4619328 VKYYQZIABKHNLO-UHFFFAOYSA-N 337.810 4.974 0 40 EJAB O=C(CSc1ncccn1)c1c(-c2ccccc2)[nH]c2ccccc12 6910767 YHFYZEPYDDZMKF-UHFFFAOYSA-N 345.427 4.600 0 40 EJAB O=C(Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1)C(F)(F)F 8071107 JPAIKWXARWPYKQ-UHFFFAOYSA-N 340.688 4.649 0 40 EJAB Cc1ccc(-c2nnc(SCc3ncc(-c4ccccc4)o3)o2)cc1 8507802 GUAZLLNKFYWUOE-UHFFFAOYSA-N 349.415 4.992 0 40 EJAB C[C@H]1C[C@H](C)CN(C(=S)Nc2ccc(SC(F)F)cc2)C1 8692224 VFQMVPUYWSZTNA-QWRGUYRKSA-N 330.469 4.676 0 40 EJAB CCC(=O)Nc1c(-c2nc3ccccc3[nH]2)c(C)c(C)n1CC(C)C 9059541 SRIMQMNIFLPRNX-UHFFFAOYSA-N 338.455 4.653 0 40 EJAB COc1ccc(OC)c(NC(=O)CCc2ccc(C(C)(C)C)cc2)c1 10331361 AKTUSJHMRJNLJG-UHFFFAOYSA-N 341.451 4.573 0 40 EJAB CCOc1ccc([C@@H](C)NC(=O)c2cccc(Cl)c2)cc1OCC 10542775 STDHYXHVYPACMP-CYBMUJFWSA-N 347.842 4.628 0 40 EJAB CCOc1ccc(NC(=O)CCc2ccc(-c3ccccc3)o2)cc1 11689906 KRZPJLWTUIBNKE-UHFFFAOYSA-N 335.403 4.917 0 40 EJAB CCOc1ccc(-c2cc(C(=O)Nc3ccccc3Cl)no2)cc1 11916975 XWMQOHQHTABZTC-UHFFFAOYSA-N 342.782 4.646 0 40 EJAB O=C(c1ccc(Oc2ccccc2)cc1)N(Cc1ccco1)C1CC1 12905193 ITTBIMKJGHEORK-UHFFFAOYSA-N 333.387 4.877 0 40 EJAB O=C(CCc1ncc(-c2ccccc2F)o1)Oc1ccccc1Cl 14731740 DLINJAIVMMHTBF-UHFFFAOYSA-N 345.757 4.672 0 40 EJAB COc1ccc2c(c1C)CCC1=C2CC[C@@]2(C)C1=CC[C@@H]2OC(C)=O 16249924 QDTQZEGNQUSCPP-VXKWHMMOSA-N 338.447 4.765 0 40 EJAB COc1c(C)cccc1CN[C@@H](Cc1cccs1)c1nccs1 19236022 IEQWUFKFQKOPMM-INIZCTEOSA-N 344.505 4.595 0 40 EJAB CC(C)C[C@@H](NC(=O)CSCc1ccccc1)c1ccccc1 19932829 SQQWMXAAROJOKY-LJQANCHMSA-N 327.493 4.823 0 40 EJAB CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)Nc1ccc(OC)cc1 21130172 LJBCHUBSYKYMAV-HUUCEWRRSA-N 326.440 4.648 0 40 EJAB Cc1nc(N(C)c2ccccc2)sc1C(=O)Nc1cccc(F)c1 22237705 FDQOOPSDDISUHX-UHFFFAOYSA-N 341.411 4.611 0 40 EJAB O=C(Nc1cccc(Oc2cnccn2)c1)c1csc2ccccc12 33137350 QQNBJMKCPSFCLC-UHFFFAOYSA-N 347.399 4.736 0 40 EJAB CCc1cccc(C)c1-n1nnnc1[C@](C)(CC)Nc1ccccc1C 35622582 MLABQUMZXAHDCA-NRFANRHFSA-N 349.482 4.579 0 40 EJAB COC(=O)c1cc(Nc2cccc(SC)c2)c2cccc(C)c2n1 38487144 UDLKZHFSXSKCGN-UHFFFAOYSA-N 338.432 4.795 0 40 EJAB COC(=O)/C=C/c1ccc(-c2cc(C)c(Br)c(C)c2)o1 45888732 XGYWKZWEJPCERR-FNORWQNLSA-N 335.197 4.512 0 40 EJAB CCc1cc(N)cc(C)c1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 45890460 NBRCOBGXLGJVAU-UHFFFAOYSA-N 346.858 4.589 0 40 EJAB C[C@H](Sc1nc(-c2ccccc2F)n[nH]1)c1ccc(F)cc1F 59926341 KPGUCFYXWODQIX-VIFPVBQESA-N 335.354 4.742 0 40 EJAB CC(C)CN1CCCC[C@H]1c1ccc(N(C)C(=O)OC(C)(C)C)nc1 72214461 UYEGIPATYIFYGT-KRWDZBQOSA-N 347.503 4.636 0 40 EJAB O=C(N[C@H](c1nccs1)C1CC1)N1CCCCC[C@@H]1c1ccco1 74708539 QKUSZDOTIAEREZ-ZBFHGGJFSA-N 345.468 4.514 0 40 EJAB Cc1nnc(-c2cccs2)c2cn(-c3cccc(Cl)c3)nc12 75259777 FQGVLGXDSANUPW-UHFFFAOYSA-N 326.812 4.506 0 40 EJAB C[C@@H]1CCCC[C@@H]1OCCN1CCC(c2nc3ccccc3o2)CC1 84691956 LNKVEKLVCUJCFQ-APWZRJJASA-N 342.483 4.603 0 40 EJAB CCc1ccc(-c2csc(NC(=O)[C@H]3C[C@H]4CC[C@H]3C4)n2)cc1 102600479 AHHKLTZSMVVPOJ-BPUTZDHNSA-N 326.465 4.747 0 40 EJAB O=C(NCc1ccc2ccccc2c1)c1ccc(N2CCCCC2)cc1 222780466 OIARODZLFIDRAD-UHFFFAOYSA-N 344.458 4.760 0 40 EJAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCCCc1cccc(C)c1 222965722 UAERXXNNPFRUNN-HXUWFJFHSA-N 339.479 4.518 0 40 EJAB Fc1ccc(NC(=S)NC2(c3ccccn3)CCCC2)cc1Cl 225856812 LYPUICPQGALUNP-UHFFFAOYSA-N 349.862 4.630 0 40 EJAB Fc1ccc(C[n+]2cccc(-c3nc4cc(Cl)ccc4o3)c2)cc1 226308270 IRPGCPHDQDIEJV-UHFFFAOYSA-N 339.777 4.623 0 40 EJAB CCCC(=O)N[C@H](C)c1nc2ccccc2n1Cc1cc(C)ccc1C 200849 LMNJLVUXPLTVHX-QGZVFWFLSA-N 349.478 4.679 0 40 EJAB Cc1nc(NCCc2cccs2)c2c3c(sc2n1)CCCC3 1465886 GPKSTQIQBYIVCU-UHFFFAOYSA-N 329.494 4.595 0 40 EJAB CCCCC1CCC(C(=O)Nc2nnc(SCCC)s2)CC1 4079409 LELDWRUVRNOQLT-UHFFFAOYSA-N 341.546 4.975 0 40 EJAB Cc1cccc(C(=O)N2N=C(c3ccco3)C[C@H]2c2cccs2)c1 4317986 XAWRCBBJFDLMNV-INIZCTEOSA-N 336.416 4.641 0 40 EJAB Cc1ccc(SCC(=O)Nc2ccc3sc(C)nc3c2)cc1 4496449 GREWJWUSSSHYHZ-UHFFFAOYSA-N 328.462 4.644 0 40 EJAB CCCc1nnc2sc(-c3ccc(-c4ccc(Cl)cc4)o3)nn12 4539857 DXACYGGXHLITNG-UHFFFAOYSA-N 344.827 4.719 0 40 EJAB O=C(Oc1cccc2cccnc12)C(c1ccccc1)c1ccccc1 4552880 LWPPETIUBPZCLF-UHFFFAOYSA-N 339.394 4.972 0 40 EJAB Cc1ccc(N2C(=O)c3ccc4c5c(ccc(c35)C2=O)CC4)cc1Cl 4627680 QFIMCCJWZAHDRT-UHFFFAOYSA-N 347.801 4.701 0 40 EJAB COc1ccc(Cl)cc1C(=O)Nc1c(Cl)cccc1Cl 5720647 GMPGWDAQGRJFGT-UHFFFAOYSA-N 330.598 4.908 0 40 EJAB COC(=O)c1c(-c2cccs2)csc1NC(=O)c1ccccc1 7996261 FPSSIKPOSAGQQD-UHFFFAOYSA-N 343.429 4.516 0 40 EJAB CCCCn1c([C@@H]2CC(=O)N(c3ccccc3C)C2)nc2ccccc21 12411038 XPLWOCKRSVYTIF-QGZVFWFLSA-N 347.462 4.665 0 40 EJAB Cc1cccc(NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)c1C 14396519 DDUSEYZOAAWOAC-OAHLLOKOSA-N 331.843 4.980 0 40 EJAB COc1cc(CNC2CCCC2)ccc1OCc1cccc(C)c1 16349277 DJBHMYLSXXTDER-UHFFFAOYSA-N 325.452 4.615 0 40 EJAB Cc1ccc(CSc2nnc(COc3cc(C)cc(C)c3)o2)cc1 20196973 DCBSLMMONBFPGO-UHFFFAOYSA-N 340.448 4.866 0 40 EJAB C[C@H](NC(c1ccccc1)c1ccccc1)c1nc(C(C)(C)C)no1 23903570 ITNAAPNHMSEWSL-HNNXBMFYSA-N 335.451 4.807 0 40 EJAB CC[C@@H](C)C(=O)NC[C@@H](c1cccs1)c1c[nH]c2ccccc12 24435359 HKKASRKKTLCNPJ-CZUORRHYSA-N 326.465 4.524 0 40 EJAB CC(C)(C)c1ccc(O)c(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)c1 29769627 ASCKWMPNEOVZJB-CVEARBPZSA-N 327.399 4.571 0 40 EJAB CC[C@H](C)c1ccc(OCCCn2c(C=O)nc3ccccc32)cc1 41058292 QDPSLKOBDQHBCA-INIZCTEOSA-N 336.435 4.831 0 40 EJAB CC[C@H](NC(=O)[C@H](C)Oc1ccccc1C(C)C)c1ccccc1 44847472 LJHFBRMGRGJOND-LPHOPBHVSA-N 325.452 4.845 0 40 EJAB CCCc1noc([C@H](C)Nc2ccc(-c3csc(C)n3)cc2)n1 46814979 YXSQCJOMKGXLOP-NSHDSACASA-N 328.441 4.627 0 40 EJAB CCCCCN(C(=O)Nc1ccc2c(c1)OCCO2)[C@H](C)CCC 72305781 WSRCPEYSOVWSGO-OAHLLOKOSA-N 334.460 4.671 0 40 EJAB CCSc1cc(C(=O)Nc2ccc(-c3ccccc3)cn2)ccn1 84812105 KTYXJUJQAZEZJP-UHFFFAOYSA-N 335.432 4.508 0 40 EJAB Cc1ccc(OCC(=O)N[C@@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)c(C(C)(C)C)c1 103002974 OWXUMEOFCLZJEU-BSDSXHPESA-N 343.511 4.612 0 40 EJAB C[C@H](c1cc(F)ccc1F)N(C)Cc1csc(-c2ccoc2)n1 108359863 YJTLHDIDWRDUJC-LLVKDONJSA-N 334.391 4.874 0 40 EJAB Cc1cccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c1 210197846 OPRMWKOZWQISOM-OQLLNIDSSA-N 329.808 4.889 0 40 EJAB CC[C@@H](NC(=O)[C@H](C)Oc1cc(C)cc(C)c1)c1ccc(C)c(C)c1 219550900 SKBDABPMGZAYED-GHTZIAJQSA-N 339.479 4.955 0 40 EJAB Cc1cccc(O[C@H](C)C(=O)Nc2ccc3c4c(cccc24)CC3)c1 224134496 PFDKIHKRMVAKPF-OAHLLOKOSA-N 331.415 4.653 0 40 EJAB Cc1cccc(CNC(=S)Nc2ccc(OC3CCCC3)cc2)c1 225428185 DRGKNVRZRFVCLB-UHFFFAOYSA-N 340.492 4.803 0 40 EJAB Cc1ccnc(NC(=S)N[C@@H](c2ccccc2)c2ccccc2C)c1 225507712 PIQPIJBMDZCQHK-FQEVSTJZSA-N 347.487 4.774 0 40 EJAB CCCC[C@@](C)(OC)C(=O)Nc1ccc(OCc2ccccc2)cc1 225617732 OMUHLFYRYRABFU-OAQYLSRUSA-N 341.451 4.799 0 40 EJAB Cc1cc2c(cc1C)CN(CC(=O)Nc1cc(Cl)ccc1Cl)C2 409205036 NJXLSDYPKJFRTP-UHFFFAOYSA-N 349.261 4.565 0 40 EJAB Cc1ccc(C(=O)NC(=S)Nc2ccc3ccccc3c2)c(C)c1 570449 LVGHNOLMAIRTBN-UHFFFAOYSA-N 334.444 4.583 0 40 EJAB O=C(c1cccc(Cl)c1)c1cc(Cl)ccc1Br 1654253 QNOGVSGCCUIAET-UHFFFAOYSA-N 330.008 4.987 0 40 EJAB CC(C)N(C[C@@H](c1ccccc1)[C@@](C)(O)c1ccccc1)C(C)C 1670731 PKBJERGOXGFAOR-VXKWHMMOSA-N 325.496 4.797 0 40 EJAB COc1ccc(CNc2ncnc3sc(-c4ccccc4)cc23)cc1 2664933 VOLDNORSELWHOR-UHFFFAOYSA-N 347.443 4.979 0 40 EJAB Cc1cc(C)cc(CN2C(=O)S/C(=C\c3ccc(F)cc3)C2=O)c1 4105385 UFSFWLWVIPDPQP-YVLHZVERSA-N 341.407 4.679 0 40 EJAB COc1ccc2c(c1)C[C@H](OC)c1cc3c(nc1-2)-c1ccccc1CC3 5124566 YSLDCRQITADQCD-NRFANRHFSA-N 343.426 4.766 0 40 EJAB CCN(CC)CCC[C@@H](C)/N=c1\cc(C)[nH]c2cc(Cl)ccc12 5791269 GYFRJEFMZQFVLO-CQSZACIVSA-N 333.907 4.541 0 40 EJAB O=C(CCc1ccccc1)Nc1ccc(OC(F)F)c(Cl)c1 6332929 WVCHXZCALRINPQ-UHFFFAOYSA-N 325.742 4.513 0 40 EJAB COc1cc(CNCC(C)C)ccc1OCc1cccc(Cl)c1 6883588 WYRFKTCALKNEEG-UHFFFAOYSA-N 333.859 4.673 0 40 EJAB Cc1cccc(C(=O)Nc2nnc(-c3cc(Cl)ccc3Cl)o2)c1 7510217 YRDJKFCNIZTRIF-UHFFFAOYSA-N 348.189 4.604 0 40 EJAB Cc1ccc(CN2C(=O)c3ccccc3N[C@H]2c2ccc(C)o2)cc1 7883954 SEEHFGTUFDHJFB-HXUWFJFHSA-N 332.403 4.663 0 40 EJAB CC(C)[C@@H](NC(=O)c1ccc(Br)cc1)c1cccs1 7924974 LWAVHCACZDRBDO-CQSZACIVSA-N 338.270 4.638 0 40 EJAB Cc1ccc2nc(N(Cc3ccccc3)C(=O)C3CCC3)sc2c1 7978755 CXFIUJIEBUBMMD-UHFFFAOYSA-N 336.460 4.938 0 40 EJAB COc1cc(C)c(NC(=O)c2ccc(-c3ccccc3)cc2)cc1OC 8754262 VAHPPZOBMRTIAK-UHFFFAOYSA-N 347.414 4.932 0 40 EJAB Cc1cc(C)c(NC(=O)CC2(C(=O)O)CCCCCC2)c(Cl)c1 13467037 SOOCZXXUNCJUAU-UHFFFAOYSA-N 337.847 4.711 0 40 EJAB Fc1ccccc1NC(=S)Nc1ccc(OC(F)(F)F)cc1 13937627 QGBFSSWMBQCRFO-UHFFFAOYSA-N 330.306 4.533 0 40 EJAB Cc1ccc(C)c(C(=O)CCC(=O)Nc2ccc(OC(F)F)cc2)c1 15797652 BCJHDYPWFPJBKH-UHFFFAOYSA-N 347.361 4.506 0 40 EJAB Cc1ccc2cccc(NC(=O)c3ccc(OCC(C)C)cc3)c2n1 15835247 SBMDNGIYMRCVPD-UHFFFAOYSA-N 334.419 4.830 0 40 EJAB Cc1ncc(CN[C@H]2[C@H]3CCCC[C@@H]3[C@@H]2c2ccc(Cl)cc2)cn1 19287281 NGCQAPOEQAJGRR-MUGJNUQGSA-N 341.886 4.500 0 40 EJAB COCCOc1cccc(NCc2ccc(Cl)cc2Cl)c1 19737570 ICEDTDKOWWWNEA-UHFFFAOYSA-N 326.223 4.631 0 40 EJAB CCc1ccccc1O[C@@H](C)C(=O)N[C@@H](CC)c1ccc(C)cc1 20105604 FMWKJSADZCCXAU-LPHOPBHVSA-N 325.452 4.592 0 40 EJAB Cc1noc(C(C)C)c1C(=O)N(C)Cc1cccc(Cl)c1Cl 21556545 DFUIJLIWJCVNDX-UHFFFAOYSA-N 341.238 4.685 0 40 EJAB CC(=O)Nc1ccc(NC(=O)c2oc3c(C)c(C)ccc3c2C)cc1 27995099 HMUUHYVXKWEYBX-UHFFFAOYSA-N 336.391 4.569 0 40 EJAB O=C(Nc1cccc(Cl)c1)c1ccc(CN2CCCCCC2)cc1 38833849 UKGQQFMNGKDAHC-UHFFFAOYSA-N 342.870 4.968 0 40 EJAB c1ccc(CN2CCN(c3ccc4c(c3)Cc3ccccc3-4)CC2)cc1 68677318 PTYINEOCJKJYKG-UHFFFAOYSA-N 340.470 4.580 0 40 EJAB CCCCN1CCCC[C@@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 72214342 NBVJOEGQUUHYNH-MRXNPFEDSA-N 333.476 4.756 0 40 EJAB CCOc1ccc(-c2cc(-c3cc4ccccc4o3)nc(N)n2)cc1 96136977 QGGTWSNXVZYRDH-UHFFFAOYSA-N 331.375 4.538 0 40 EJAB O=C(O)CS/C(=C/c1ccccc1)c1nc2ccccc2s1 96891470 QJXZBKUPTUVLPO-XNTDXEJSSA-N 327.430 4.612 0 40 EJAB COC(=O)Nc1cccc(NCc2csc(C3CCCC3)n2)c1 97013669 OURMQBOXBVZMGY-UHFFFAOYSA-N 331.441 4.591 0 40 EJAB O=C(c1ccc(Cl)s1)N1CCS[C@H](c2ccccc2)CC1 211143639 ZEIXVGVLRVCZTM-ZDUSSCGKSA-N 337.897 4.722 0 40 EJAB COc1ccc(CC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1C 224413103 DADPUCYEIQFQTH-UHFFFAOYSA-N 347.414 4.977 0 40 EJAB Cc1cccc(C(=O)Nc2ccc(-c3ccc(C(=O)O)o3)c(C)c2)c1 226356364 QDWJFJRQXXIDAR-UHFFFAOYSA-N 335.359 4.514 0 40 EJAB C[C@@H](Cc1cc2ccccc2o1)NC(=O)c1c(F)cccc1Cl 253473052 RDWKESQTXKAVDF-NSHDSACASA-N 331.774 4.586 0 40 EJAB Cc1ccccc1NC(=O)CN(C1CCCCC1)C1CCCCC1 408583037 RFWKRIIUIUDXIQ-UHFFFAOYSA-N 328.500 4.901 0 40 EJAB CCCOc1ccc(Cl)cc1C(=O)Nc1ccc(OCC)cc1 408586318 MUINCNBOUKUKFO-UHFFFAOYSA-N 333.815 4.780 0 40 EJAB O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccccc1F 70182 JHAZOZQXWKQIFQ-UHFFFAOYSA-N 331.350 4.621 0 40 EJAB CO[C@@]12C=C[C@@H](CC1=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c12 478129 JMMYCLRFBMAFBN-QSGQRGAGSA-N 338.017 4.768 0 40 EJAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(F)cc1 557414 VKUADNJMTKRIDR-FARCUNLSSA-N 340.181 4.793 0 40 EJAB C[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cccc(Cl)c2)N3)C1 2492892 UETJGRSSEKWJRT-RFAUZJTJSA-N 332.856 4.955 0 40 EJAB Cc1nn2c(C(F)(F)Cl)cc(-c3ccc(F)cc3)nc2c1Cl 2786810 RVNLYRJLHIJGBU-UHFFFAOYSA-N 346.139 4.785 0 40 EJAB O=C(NCCc1ccc(Cl)cc1)c1ccccc1-c1ccccc1 3127136 FRVRUZFGGILJME-UHFFFAOYSA-N 335.834 4.980 0 40 EJAB Cc1ccc(-c2nc3cccnc3s2)cc1NC(=O)CC(C)C 4063091 SCQDRFHFNZMFGB-UHFFFAOYSA-N 325.437 4.651 0 40 EJAB Fc1ccccc1OCCCN1CCC(Cc2ccccc2)CC1 4832078 ZDWIXGVLIRRLPA-UHFFFAOYSA-N 327.443 4.549 0 40 EJAB O=C(Cc1c[nH]c2ccccc12)OCc1csc(-c2ccccc2)n1 6383966 PGPZLZNSHCBCGH-UHFFFAOYSA-N 348.427 4.577 0 40 EJAB Cc1cccn2cc(CSc3ncnc4c3oc3ccccc34)nc12 6609226 KWSODZOZGJRLAJ-UHFFFAOYSA-N 346.415 4.624 0 40 EJAB CCNCC[C@@]1(c2cccc(C(F)(F)F)c2)CCOC(C)(C)C1 6757931 CEMMJTGSAMMZLF-QGZVFWFLSA-N 329.406 4.532 0 40 EJAB Cc1nnc(SCc2csc(-c3ccc(C(C)C)cc3)n2)n1C 7235124 UWVOYSMVBSFEJH-UHFFFAOYSA-N 344.509 4.663 0 40 EJAB O=C(/C=C/c1cccc(Cl)c1)Nc1nc(-c2ccccn2)cs1 7804831 JKTUNKLWYKYTOO-BQYQJAHWSA-N 341.823 4.510 0 40 EJAB COc1ccccc1-c1nc(-c2ccc(NC(C)=O)cc2F)cs1 7988136 KDTUNPGXHGXOON-UHFFFAOYSA-N 342.395 4.583 0 40 EJAB CCNCc1cc(Cl)c(OCc2ccc(F)cc2)c(OCC)c1 8227180 JAYHMTCKFRHNPV-UHFFFAOYSA-N 337.822 4.566 0 40 EJAB Cc1cccc(-c2cc(=O)c3cc(NC(=O)C(C)(C)C)ccc3o2)c1 9659958 GLHPCWXBXLGDKS-UHFFFAOYSA-N 335.403 4.753 0 40 EJAB biogenic COc1cccc(C(=O)N2c3ccc(OC)cc3C(C)=CC2(C)C)c1 10157714 ZVFJEJAFFDTQFJ-UHFFFAOYSA-N 337.419 4.546 0 40 EJAB O=C1O/C(=C\c2cccnc2)C(c2ccccc2)=C1c1ccccc1 12610362 ONJGSSUHXUPBJR-RGEXLXHISA-N 325.367 4.590 0 40 EJAB O=C(CCc1ccccc1F)NC(c1ccccc1)c1ccccc1 19164188 JFELGLUJRPDVML-UHFFFAOYSA-N 333.406 4.664 0 40 EJAB CCc1cccc(CC)c1NC(=O)[C@@H](CC)Oc1cccc(C)c1 20454658 RXRPHQAXWJMYNQ-LJQANCHMSA-N 325.452 4.916 0 40 EJAB Cc1cccc(NC(=O)[C@H](C)SCCOc2ccc(Cl)cc2)c1 23622999 JUQDGWVZTMFWRQ-AWEZNQCLSA-N 349.883 4.788 0 40 EJAB CCOCCCC(=O)Nc1ccccc1Oc1ccccc1Cl 40131934 AUAOHSMQZBFOCK-UHFFFAOYSA-N 333.815 4.888 0 40 EJAB CC(=O)Oc1ccc(C(=O)c2cccc(Oc3ccccc3)c2)cc1 43209937 WAICMJIZXHATFP-UHFFFAOYSA-N 332.355 4.635 0 40 EJAB CCc1cccc(C)c1NC(=O)NC[C@H](C(C)C)N1CCCCCC1 48303251 KHLFZFLPIOSWST-LJQANCHMSA-N 345.531 4.580 0 40 EJAB CC(C)CCN(C(=O)Nc1cccc(OC(F)(F)F)c1)C1CC1 48355728 LQZXNDPQMATBAY-UHFFFAOYSA-N 330.350 4.628 0 40 EJAB COc1cccc(NC(=S)N[C@@H](C)CC(C)(C)c2ccccc2)c1 66012466 JZXFZQZYHHFQBE-HNNXBMFYSA-N 342.508 4.738 0 40 EJAB CC(C)Sc1ccc([C@@H](C)NC(=O)c2ccncc2Cl)cc1 73077574 YRDVMDHDYILJHD-GFCCVEGCSA-N 334.872 4.727 0 40 EJAB O=C(O)c1ccccc1Nc1ccnc2cc(Cl)cc(Cl)c12 78401493 UUNSJAMOPMMBOG-UHFFFAOYSA-N 333.174 4.983 0 40 EJAB CCc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2cccc(C)c2C)cc1 78458041 GZYJZHGJLGNOEQ-SJORKVTESA-N 325.452 4.511 0 40 EJAB O=C(Nc1ccc(F)cc1NC1CC1)c1ccc(Cl)cc1Cl 79105873 IGVYFQAWDBITQF-UHFFFAOYSA-N 339.197 4.959 0 40 EJAB Fc1ccc([C@H](NCc2cn3ccsc3n2)C2CCCC2)cc1 91309024 IMRBMTBCKLRNGE-QGZVFWFLSA-N 329.444 4.556 0 40 EJAB CC(C)(C)Oc1ccc(C(=O)c2ccccc2Br)cc1 95916074 ANXKFILUSYDZAU-UHFFFAOYSA-N 333.225 4.857 0 40 EJAB O=C1S/C(=C/c2cccc(F)c2)C(=O)N1Cc1ccccc1Cl 214097721 NRNQUYJXXMWPEI-OQLLNIDSSA-N 347.798 4.716 0 40 EJAB COc1cc(Cl)c2[nH]c(-c3cccc(Br)c3)nc2c1 216915418 LHOHEDPBDILNDB-UHFFFAOYSA-N 337.604 4.654 0 40 EJAB CCCNC(=S)Nc1ccc(Sc2ccc(Cl)cc2)nc1 223872200 LJRGHGMZJVHGII-UHFFFAOYSA-N 337.901 4.583 0 40 EJAB Cc1cccc([C@H](NC(=O)CCc2ccc(F)cc2)c2ccccc2)c1 224190834 DAKJTEPCOPPTAI-HSZRJFAPSA-N 347.433 4.973 0 40 EJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NC[C@H](C)c1ccccc1 224460161 SFPHTOUHFLNXDO-HTAPYJJXSA-N 347.458 4.917 0 40 EJAB C[C@@H](NC(=O)CSCc1ccc(Cl)cc1F)c1ccccc1 224569679 KTYGNWKGOCATMC-GFCCVEGCSA-N 337.847 4.590 0 40 EJAB CC[C@H](NC(=S)Nc1cccc(OC(C)C)c1)c1ccccc1 225481587 ZSDRVEQZWUBJRI-SFHVURJKSA-N 328.481 4.912 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)cc1 225791926 XNEHKTJCWJOXMD-SJORKVTESA-N 337.463 4.519 0 40 EJAB Cc1ccc(-c2ccc(C(=O)Nc3ccc(Cl)cn3)o2)cc1C 409400264 BOLQETNCIZKQAM-UHFFFAOYSA-N 326.783 4.864 0 40 EJAB CCc1ccc(OCc2cccc(C(=O)NCc3ccccc3)c2)cc1 372212 XDHRHJKNJYZRGT-UHFFFAOYSA-N 345.442 4.758 0 40 EJAB CCC(=O)N(CC[C@]1(C(C)C)CCOC(C)(C)C1)Cc1ccco1 489049 USRZTGCJRCJWQW-FQEVSTJZSA-N 335.488 4.640 0 40 EJAB CC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 525429 ILCTUFVQFCIIDS-PJAWBFAVSA-N 332.484 4.530 0 40 EJAB COc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccco4)c3)nc2c1 556591 PXALAALVKOTODP-UHFFFAOYSA-N 348.358 4.657 0 40 EJAB C[C@@H]1CCCc2sc3nc(NC4CCCCC4)n4ncnc4c3c21 2402492 UAEISVMSOXYGFO-LLVKDONJSA-N 341.484 4.523 0 40 EJAB CCOc1ccc(-c2cc3ccc(N(CC)CC)cc3oc2=O)cc1 2598562 ZXBYZMNWKCWCGW-UHFFFAOYSA-N 337.419 4.705 0 40 EJAB biogenic Cc1cccc(NCc2cccc(OCC(=O)Nc3ccccc3)c2)c1 4741050 FUHQCMVIKIKOPT-UHFFFAOYSA-N 346.430 4.625 0 40 EJAB CC(C)c1ccccc1OCC(=O)Nc1nc2ccc(F)cc2s1 5559117 YGPQPEYKSGWVPC-UHFFFAOYSA-N 344.411 4.576 0 40 EJAB O=C(Cc1c(F)cccc1Cl)Nc1ccc(N2CCCCC2)cc1 6249156 WESJCANGJHHULC-UHFFFAOYSA-N 346.833 4.651 0 40 EJAB Cc1ccc(-c2cc(C(=O)NC3CCCC3)c3ccccc3n2)s1 6279123 VCBRXJXYCACFTE-UHFFFAOYSA-N 336.460 4.944 0 40 EJAB O=C(/C=C/c1nc2ccccc2s1)Nc1ccc(C(F)(F)F)cc1 6932209 QXSOFYAOPDNSQL-MDZDMXLPSA-N 348.349 4.967 0 40 EJAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc(Cl)cc1 8279109 UNDIZCOHEJJLKZ-NSHDSACASA-N 330.840 4.783 0 40 EJAB C[C@@H](NC(=O)c1ccc2ncsc2c1)c1cccc2ccccc12 8342137 WFIGIFNZFRZOQZ-CYBMUJFWSA-N 332.428 4.941 0 40 EJAB COc1ccc(NC(=O)Nc2ccc(OC)c(Cl)c2)cc1Cl 10277774 ZILPLGOJPCMAQW-UHFFFAOYSA-N 341.194 4.655 0 40 EJAB COc1ccc(-c2nnc(SCc3cccc4cccnc34)o2)cc1 10499335 VTDHSKMJHXELOM-UHFFFAOYSA-N 349.415 4.586 0 40 EJAB c1csc(-c2cc([C@H]3CCCCCN3Cc3ccncc3)no2)c1 12143927 QDSVIUMENUCLQG-QGZVFWFLSA-N 339.464 4.915 0 40 EJAB Cc1cc(C)c2nc3c(cc2c1)CN(Cc1cccc(F)c1)C(=O)O3 12222969 CDXFCIVDAYECIY-UHFFFAOYSA-N 336.366 4.505 0 40 EJAB COc1ccc(F)cc1CN1CCC[C@@H]1c1nc2ccccc2s1 12877724 ZMRKGWNRKOPZFD-MRXNPFEDSA-N 342.439 4.781 0 40 EJAB COc1ccc([C@@H](NC(=O)CSc2ccccc2C)C(C)C)cc1 12904341 FCVDWFBYSIUYRL-FQEVSTJZSA-N 343.492 4.609 0 40 EJAB Cc1ccn2cc(C(=O)N(Cc3ccc(C(C)C)cc3)C3CC3)nc2c1 14094946 WKCXUJZMYUMRIA-UHFFFAOYSA-N 347.462 4.571 0 40 EJAB O=C(/C=C/c1ccc(Cl)cc1)Nc1nnc(-c2ccccc2)s1 18702427 HDKDATHCWRFVBN-DHZHZOJOSA-N 341.823 4.510 0 40 EJAB Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN([C@@H](C)c1ccccc1)C3 20609872 NOWIEVGAHHVHMC-INIZCTEOSA-N 349.430 4.631 0 40 EJAB biogenic O=C(Cn1c(-c2ccccc2)cc2ccccc21)Nc1cccc(O)c1 20738804 UMXNQPKHRWYKDK-UHFFFAOYSA-N 342.398 4.653 0 40 EJAB COc1ccc(Cl)cc1NC(=O)CCC(=O)c1ccc(C)c(C)c1 27400965 QVSSLCGOTWBSLE-UHFFFAOYSA-N 345.826 4.567 0 40 EJAB COc1ccc([C@@H](C)N[C@H](C)c2ccc(C)o2)cc1Br 37105976 DHYHUZYNEYWXPK-VXGBXAGGSA-N 338.245 4.771 0 40 EJAB Cc1cccc2cc(C(=O)Nc3ccc(Br)cc3)oc12 41306655 QBONWPGWLFGTFM-UHFFFAOYSA-N 330.181 4.756 0 40 EJAB C[C@H](N[C@H](C)c1ccc(Cl)cc1Cl)c1nc(C2CC2)no1 51535225 GNWHGLIPKBYPLA-BDAKNGLRSA-N 326.227 4.666 0 40 EJAB Cc1c(Cl)cccc1NC(=O)CSc1cccc2cccnc12 57469026 PCHSWVRCTAYXGB-UHFFFAOYSA-N 342.851 4.927 0 40 EJAB CNc1nc2c(s1)[C@H](c1ccc(Cl)cc1Cl)CC(O)=N2 61717927 MUYBSJDLILZWJZ-QMMMGPOBSA-N 328.224 4.615 0 40 EJAB CC(C)(C)OC(=O)N1CCC[C@@H]1c1cccnc1NC1CCCCC1 72214015 ZOFUATXXQKRFTJ-QGZVFWFLSA-N 345.487 4.898 0 40 EJAB O=C(Nc1cccc(C2SCCCS2)c1)[C@H]1C[C@H]1c1ccco1 95381716 JIUZKCXZMLZPBV-CABCVRRESA-N 345.489 4.891 0 40 EJAB CCCC[C@]1(CCN(Cc2ccco2)C(C)=O)CCOC(C)(C)C1 96115749 STCTTYITVSZJQX-FQEVSTJZSA-N 335.488 4.784 0 40 EJAB biogenic Cc1ccccc1CSc1nc2ccsc2c(=O)n1CC(C)C 206596429 WFOGKEMKEOYFRA-UHFFFAOYSA-N 344.505 4.715 0 40 EJAB Cc1c(C=O)c2ccccc2n1C(=O)COc1ccc(C(C)(C)C)cc1 216720080 LZBYAWUDENYWIU-UHFFFAOYSA-N 349.430 4.779 0 40 EJAB Nc1ccc(Cl)c(C(=O)OC2c3ccccc3-c3ccccc32)c1 216851377 LTYGLNUIWPRSMM-UHFFFAOYSA-N 335.790 4.849 0 40 EJAB CC[C@@H](NC(=O)c1ccc(OC(C)C)cc1)c1ccc(C)cc1C 218985362 IIKBELMJVVKYSE-HXUWFJFHSA-N 325.452 4.972 0 40 EJAB CC[C@H](NC(=O)CCc1ccc(OC)c(C)c1)c1ccc(C)cc1C 222834537 DZIZCYKACDIWMF-FQEVSTJZSA-N 339.479 4.821 0 40 EJAB C[C@H](Oc1ccccc1Cl)C(=O)NCc1cccc2ccccc12 222865611 WTWHSFSCZPGOQA-AWEZNQCLSA-N 339.822 4.577 0 40 EJAB COc1cccc2cc(C(=O)N[C@H](C)c3ccc4c(c3)CCCC4)oc12 222944438 ACFRLFSTLSWCJP-CQSZACIVSA-N 349.430 4.811 0 40 EJAB Cc1cccc(NC(=S)N[C@@H](C)c2ccc(C(C)(C)C)cc2)n1 225408888 SNQCHQBTNDAMFK-AWEZNQCLSA-N 327.497 4.735 0 40 EJAB COc1ccc([C@H](CC(C)C)NC(=O)Cc2ccccc2Cl)cc1 225437641 VVQVHZGIZOBHBU-IBGZPJMESA-N 345.870 4.795 0 40 EJAB C[C@@H](NC(=S)Nc1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 225472637 AUCONMAEWAXVFI-SNVBAGLBSA-N 342.361 4.892 0 40 EJAB Cc1cc(C)c(C(=O)NCCCc2ccc(OC(C)C)cc2)cc1C 225649239 FXSUWOFLGGNNLY-UHFFFAOYSA-N 339.479 4.762 0 40 EJAB CCCC[C@](C)(OC)C(=O)Nc1ccc(OC(C)C)c2ncccc12 225886387 OEHXOCRYKNIPCJ-FQEVSTJZSA-N 344.455 4.556 0 40 EJAB Cc1cccc2cc(C(=O)Nc3ccc(Br)cc3F)oc12 226044013 CHUWVUUSSKRAFB-UHFFFAOYSA-N 348.171 4.895 0 40 EJAB Cc1cc(C)c2oc(-c3ccc[n+](Cc4cccc(F)c4)c3)nc2c1 226308213 QZFHNMZRGOZZPQ-UHFFFAOYSA-N 333.386 4.587 0 40 EJAB Cc1ccc(CN(C)C(=O)N[C@@H](C)c2ccc(-c3ccncc3)cc2)o1 252488955 JCRIRYSVPMQRFR-INIZCTEOSA-N 349.434 4.553 0 40 EJAB CC(C)c1nc(C2(NCCSC3CCCCC3)CCCC2)no1 500086779 DTXNSDRVMBNVCP-UHFFFAOYSA-N 337.533 4.618 0 40 EJAB O=C(NC[C@@H](c1ccsc1)c1ccco1)c1ccc(Cl)s1 618257152 SJHUEERBKVBEIL-NSHDSACASA-N 337.853 4.618 0 40 EJAB CN(Cc1cccc2ccccc12)C(=O)c1cccc(N2CCCC2)c1 1630386402 SQALAWWFAWXBDC-UHFFFAOYSA-N 344.458 4.712 0 40 EJAB Cc1cc(Cl)ccc1OCC(=O)Oc1ccc2ccccc2c1 357463 AIHPJGFMSZZEIB-UHFFFAOYSA-N 326.779 4.786 0 40 EJAB O=C(Oc1ccc2c(Br)cccc2c1)c1cccc(F)c1 364993 QKGNQHOLOHSMOC-UHFFFAOYSA-N 345.167 4.961 0 40 EJAB Cc1ccc2cc(C)c(SCC(=O)N3[C@H](C)CCC[C@H]3C)nc2c1 412058 HSRKZMYOTQFYRK-HZPDHXFCSA-N 342.508 4.733 0 40 EJAB O=C(/C=C/c1ccc(Cl)cc1Cl)N1CCCc2ccccc21 483882 NICHOBRVVYVDRT-CSKARUKUSA-N 332.230 4.986 0 40 EJAB COc1ccccc1C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 567870 OJVJBAJMPAJBLE-UHFFFAOYSA-N 344.823 4.724 0 40 EJAB CCc1ccccc1-n1ncc(C(=O)Nc2cccc(C)c2C)c1C 1018243 LZTGXPJUVIFVTG-UHFFFAOYSA-N 333.435 4.612 0 40 EJAB O=C(c1ccccc1)c1ccc[n+](Cc2c(Cl)cccc2Cl)c1 1719762 HTIKAMXYIXDFMO-UHFFFAOYSA-N 343.233 4.560 0 40 EJAB CC1(C)COC(CCCCC(=O)c2cccc(C(F)(F)F)c2)OC1 2518073 QKVDLOTUTSFJSW-UHFFFAOYSA-N 344.373 4.848 0 40 EJAB CCC(=O)c1ccc(OCC(=O)Nc2c(C)cc(C)cc2Cl)cc1 2646090 ZEMQADMUKRLMFW-UHFFFAOYSA-N 345.826 4.567 0 40 EJAB Cc1ccc(C)c(NC(=O)c2ccccc2C(=O)c2ccccc2)c1 3104145 LHUISMGFUZBUHO-UHFFFAOYSA-N 329.399 4.787 0 40 EJAB C[C@]12CCC3(C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(C)O)OCCO3 3843719 OCPDFDRDDCQKEV-VKPOMUGMSA-N 348.527 4.523 0 40 EJAB C[C@@H]1CCc2ccccc2N1C(=O)Cc1cccc(C(F)(F)F)c1 6850027 HTYDLFAFNUQRJA-CYBMUJFWSA-N 333.353 4.616 0 40 EJAB Cc1cnc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)s1 6969107 UNPJLYOXGFVVME-MRXNPFEDSA-N 340.473 4.924 0 40 EJAB Cc1ccc(CC(=O)Nc2nc3ccc(Cl)cc3s2)cc1C 7061864 ZDHPGOUMTAITKL-UHFFFAOYSA-N 330.840 4.748 0 40 EJAB Cc1ccc(CNC(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)cc1 9533210 DIMKMBNNCZFKBS-CYBMUJFWSA-N 336.357 4.574 0 40 EJAB O=C1C[C@@H](c2cccc(Cl)c2)Cc2nc(Nc3ccccc3)ncc21 9969149 ISCGTTWWUJOEGP-AWEZNQCLSA-N 349.821 4.786 0 40 EJAB COc1ccccc1-c1nnc(SCc2cccc3ccccc23)[nH]1 10475491 WOGAMXLERUUKLU-UHFFFAOYSA-N 347.443 4.926 0 40 EJAB CCC[C@H](C(=O)NCc1coc(-c2cccs2)n1)c1ccccc1 10869799 DEHVZFLTOQVBFD-INIZCTEOSA-N 340.448 4.603 0 40 EJAB Cc1ccc2oc(C(=O)Nc3nc(-c4ccccc4)ns3)c(C)c2c1 11914913 WVKIRGSIZVTQSK-UHFFFAOYSA-N 349.415 4.820 0 40 EJAB O=C(NCCc1cccs1)c1ccccc1CCc1ccccc1 12763043 GLQFJZNXJINARW-UHFFFAOYSA-N 335.472 4.506 0 40 EJAB COc1ccc(/C=C(\Cl)c2ncc(-c3ccccc3)o2)cc1O 13059863 ODJGOSHGSFWLOI-ZROIWOOFSA-N 327.767 4.793 0 40 EJAB O=C(NCCC1=CCCCC1)c1ccccc1SC[C@@H]1CCCO1 27389971 SRWIXRRPFWVVOY-KRWDZBQOSA-N 345.508 4.578 0 40 EJAB COc1ccc([C@@H](Nc2ncnc3sc(C)c(C)c23)C2CC2)cc1 30767147 NAGHBEDIBFPXTC-KRWDZBQOSA-N 339.464 4.880 0 40 EJAB CC1CCN(Cc2ccc(C(=O)N3c4ccccc4C[C@@H]3C)cc2)CC1 30866762 LYHKDNBYXQTMKZ-SFHVURJKSA-N 348.490 4.510 0 40 EJAB Cc1nc2cc(NC(=O)c3c(Cl)c4ccccc4n3C)ccc2o1 41688432 ZQJYQARGWDHWNX-UHFFFAOYSA-N 339.782 4.534 0 40 EJAB CC(C)c1ccc(/C=C/C(=O)Nc2ccc(-c3nnco3)cc2)cc1 44575385 MBBCMJRRWDQFIQ-LFYBBSHMSA-N 333.391 4.512 0 40 EJAB Cc1cc(C)c(S(=O)(=O)N[C@H](CC(C)C)c2ccccc2)c(C)c1 44846651 AEXOFUFSLOSGOQ-LJQANCHMSA-N 345.508 4.678 0 40 EJAB Cc1ccc(C(=O)N(C2CC2)[C@H](C)c2cccc(C(F)(F)F)c2)o1 58700941 NQNAAPLUBZTOMW-GFCCVEGCSA-N 337.341 4.973 0 40 EJAB CO[C@@H](C)c1cccc(NC(=O)NC(C)(C)c2nc(C)c(C)s2)c1 72290937 VLJRWBHJKUMQMS-LBPRGKRZSA-N 347.484 4.524 0 40 EJAB COc1cc(C(=O)Nc2c(C)cccc2Cl)cc(Cl)c1OC 78551757 HNLCNYOMXVTRLD-UHFFFAOYSA-N 340.206 4.571 0 40 EJAB CC[C@@H](COc1cccc(C)c1)NC(=O)c1ccc(C(C)(C)C)cc1 80344809 JPPAOZCTZLTMBD-IBGZPJMESA-N 339.479 4.880 0 40 EJAB Clc1cc(Cl)cc(-c2noc(-c3cccnc3Cl)n2)c1 89262759 PALBBLFKEKVDDQ-UHFFFAOYSA-N 326.570 4.759 0 40 EJAB O=C(O)C/C(=C/c1cc2cc(F)ccc2o1)c1nc2ccccc2o1 95961403 KZFAOWFZVNOYLV-XFXZXTDPSA-N 337.306 4.728 0 40 EJAB Cc1ccc([C@H]2C=C(c3ccc(C(C)C)cc3)Nc3ncnn32)cc1 102048077 KHQUHSQHNPDFQA-HXUWFJFHSA-N 330.435 4.766 0 40 EJAB Cc1cccc(CNC(=S)Nc2ccc(Br)c(C)c2)c1 225426591 PTLURVTYFOZTIT-UHFFFAOYSA-N 349.297 4.553 0 40 EJAB CC[C@](C)(OC)C(=O)Nc1cc(C)c(OCc2ccccc2)c(C)c1 225604609 UMYOUAUHNNRWQG-NRFANRHFSA-N 341.451 4.636 0 40 EJAB CCCCc1ccc(NC(=O)Cc2cccc(Br)c2)cc1 225616179 FHFHBYXTARLTCN-UHFFFAOYSA-N 346.268 4.973 0 40 EJAB Cc1cccc(-c2noc(CCC(=O)Nc3c(C)cc(C)cc3C)n2)c1 225814642 XANVFHWLTPZIQU-UHFFFAOYSA-N 349.434 4.542 0 40 EJAB Cc1ccccc1-c1nc2cc(N(C)C(=O)C(F)(F)F)cc(C)c2o1 226269583 PDZLEAQQTHUREV-UHFFFAOYSA-N 348.324 4.637 0 40 EJAB O=C1Nc2ccccc2/C1=C/c1ccccc1OCc1ccccc1F 409122506 YWQZEHOBHGOWHQ-AQTBWJFISA-N 345.373 4.897 0 40 EJAB Cc1[nH]c2c(C)ccc3c2c1CCN1C(=O)OC2(CCCCC2)[C@@]31C 118038 WROBRAPERGCHFE-HXUWFJFHSA-N 338.451 4.711 0 40 EJAB O=C(Nc1ccccc1)c1cnn(-c2ccccc2)c1-c1ccccc1 385245 GCKILFKASGEQHC-UHFFFAOYSA-N 339.398 4.792 0 40 EJAB CCOC(=O)c1c(C)n(C)c2cc(-c3ccc(Cl)cc3)c(O)cc12 1405242 PCZXDTRVIWSBRH-UHFFFAOYSA-N 343.810 4.689 0 40 EJAB Cc1ccccc1C(=O)N[C@@H]1c2ccccc2Oc2c(C)cccc21 1593449 GNNRIKPXNJRHFY-HXUWFJFHSA-N 329.399 4.929 0 40 EJAB CCn1c(SCc2ccccc2C)nnc1-c1ccccc1OC 2454285 VDWJXGYFDBEXPE-UHFFFAOYSA-N 339.464 4.574 0 40 EJAB COc1ccc(Cl)cc1NC(=O)C1(c2ccccc2)CCCC1 2512711 FAZURAFMAHLUGE-UHFFFAOYSA-N 329.827 4.799 0 40 EJAB CCOc1ccc(-c2cc(C(F)(F)F)c3c(C)nn(CC)c3n2)cc1 2733197 FHVUPTGNAIMTPZ-UHFFFAOYSA-N 349.356 4.844 0 40 EJAB Cc1cccc(OCCC(=O)NC(c2ccccc2)c2ccccc2)c1 3428160 HMQXRPFVRWUWHY-UHFFFAOYSA-N 345.442 4.670 0 40 EJAB CCn1c(SCc2ccccc2)nnc1-c1c[nH]c2ccccc12 4138591 JQQKIPNTKKNNND-UHFFFAOYSA-N 334.448 4.739 0 40 EJAB Cc1cccc(C(=O)N2N=C(c3ccccc3)C[C@H]2c2ccco2)c1 4306626 JNNMCACVEDMPGO-IBGZPJMESA-N 330.387 4.580 0 40 EJAB Cc1ccc(C(=O)[C@@H](Sc2nncs2)c2ccc(C)cc2)cc1 5054569 MZPOTUARUWOSJL-KRWDZBQOSA-N 340.473 4.871 0 40 EJAB Cc1ccc(-c2nc3c(c(SC(C)C)n2)COC(C)(C)C3)cc1 5321387 FLXJTVOEHLWWCK-UHFFFAOYSA-N 328.481 4.804 0 40 EJAB O=C(CCC(=O)c1cccs1)OCc1c(Cl)cccc1Cl 5859978 ULAZSPBNBHQLLC-UHFFFAOYSA-N 343.231 4.761 0 40 EJAB CC(=O)c1ccccc1NC(=O)c1ccc(COc2ccccc2)cc1 6553709 JGEHXIGTLKROFR-UHFFFAOYSA-N 345.398 4.721 0 40 EJAB CC[C@@]12CCC3=C(CCc4cc(OC)ccc43)C1=CC[C@@H]2OC(C)=O 6934168 PPOUPUKRVJUOAF-FCHUYYIVSA-N 338.447 4.847 0 40 EJAB Cc1nc(-c2cccs2)sc1C(=O)NCc1ccccc1Cl 8273471 LQGQUFYUGVIMRB-UHFFFAOYSA-N 348.880 4.763 0 40 EJAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccc(Cl)s1 8311914 DCAZRYDOJQERTB-UHFFFAOYSA-N 335.812 4.695 0 40 EJAB O[C@@H](c1ccccc1)c1nc2ccccc2n1Cc1ccc(Cl)cc1 8361801 FVLUDMCQFDMOIO-FQEVSTJZSA-N 348.833 4.820 0 40 EJAB Cc1ccc2c(NC(=O)C3(c4ccccc4)CCCC3)cccc2n1 10372839 VZMWTDGOTWQPCX-UHFFFAOYSA-N 330.431 4.994 0 40 EJAB CN(Cc1cccc(Cl)c1Cl)C(=O)Cc1c[nH]c2ccccc12 17917020 WJZNRVSSVHBMFA-UHFFFAOYSA-N 347.245 4.676 0 40 EJAB Cc1cccc(O[C@@H](C)C(=O)N[C@@H](CC(C)C)c2ccccc2)c1C 20108958 REFZQPRIVJCCMR-ICSRJNTNSA-N 339.479 4.974 0 40 EJAB Cc1cc(C)c(S(=O)(=O)Nc2cccc3ccccc23)cc1C 28463434 OBPRJQHUWPCFJE-UHFFFAOYSA-N 325.433 4.566 0 40 EJAB COc1ccc([C@H](Nc2ncnc3sc(C)c(C)c23)C2CC2)cc1 30767154 NAGHBEDIBFPXTC-QGZVFWFLSA-N 339.464 4.880 0 40 EJAB O=C(CCCc1nc2ccccc2s1)Nc1cccc2ncccc12 32750109 LZIGATZRXJIYEC-UHFFFAOYSA-N 347.443 4.806 0 40 EJAB O=C(c1cc2ccsc2[nH]1)N1CC=C(c2c[nH]c3ccccc23)CC1 32754637 SYOYHHLGUHGFAP-UHFFFAOYSA-N 347.443 4.640 0 40 EJAB O=C(CCCc1cccs1)NC1CCC(c2ccccc2)CC1 32797003 QBAKEDLTTPTSDG-UHFFFAOYSA-N 327.493 4.913 0 40 EJAB O=C(/C(=C/c1ccccc1)c1ccc(Cl)cc1)N1CCCCC1 32975200 HUCLSEJGPMPNDT-XDJHFCHBSA-N 325.839 4.893 0 40 EJAB CCN(CC)C(=O)c1sc2nc3ccc(C(C)C)cc3cc2c1N 35314295 GVNBLQQYUZQUTG-UHFFFAOYSA-N 341.480 4.637 0 40 EJAB O=C(CCCc1c[nH]c2ccccc12)N1CCC[C@@H]1c1ccsc1 48248071 DFTUVIKUTZKOAW-LJQANCHMSA-N 338.476 4.916 0 40 EJAB Cc1ccc(Nc2cc(N)nc(-c3ccccc3F)n2)cc1Cl 49467850 LDZQWGWDUVSRNG-UHFFFAOYSA-N 328.778 4.570 0 40 EJAB COC[C@@H](C)Nc1nc(C2CC2)nc2scc(-c3ccccc3)c12 65610131 PRKCVZDFFWIDJY-GFCCVEGCSA-N 339.464 4.683 0 40 EJAB Cc1cc(NC(=S)Nc2ccc(OC(F)(F)F)cc2)ccc1F 71326150 BDBMWDBJIBIVBY-UHFFFAOYSA-N 344.333 4.842 0 40 EJAB O=C(NCc1ccccc1C(F)(F)F)c1ccc(Cl)cc1Cl 72331414 AHZJZOLAKFEDMK-UHFFFAOYSA-N 348.151 4.942 0 40 EJAB Cc1ccc(N2CCCC2)c(C(=O)N(C)CCC2CCCCC2)c1 78764747 UWCSKKYAOVZUPK-UHFFFAOYSA-N 328.500 4.638 0 40 EJAB COc1ccccc1NC(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 80343963 XDWMESPLJRKDFP-KBPBESRZSA-N 336.218 4.744 0 40 EJAB COc1cc([C@@H](C)N[C@H]2CCOc3ccccc32)ccc1SC 95419372 CYWWOYIAZAYJRO-CJNGLKHVSA-N 329.465 4.592 0 40 EJAB O=C(CSCc1ccc(Cl)c(Cl)c1)N[C@@H]1C[C@@H]2CC[C@@H]1C2 139919708 OVOJTZXPQVHTOX-IXPVHAAZSA-N 344.307 4.531 0 40 EJAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N1CCCc2ccccc21 223023797 WHQGWMVFQOZYLV-IBGZPJMESA-N 343.854 4.785 0 40 EJAB O=C(O)[C@H](Cc1ccc(Oc2ccccc2)cc1)Oc1ccccc1 225108960 NFZMPOQRFJYGPW-FQEVSTJZSA-N 334.371 4.554 0 40 EJAB Cc1ccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)c(C)c1 225505603 NUTMXTCHDFXLNO-UHFFFAOYSA-N 343.839 4.728 0 40 EJAB Cc1ccc2oc(=O)c(C(=O)Nc3ccc(Cl)c(Cl)c3)cc2c1 226036633 MITKRWUPSIRKQS-UHFFFAOYSA-N 348.185 4.661 0 40 EJAB CCCCC(=O)c1ccc(Br)cc1OC(F)(F)F 575243139 LWMVMZHVQDSDTH-UHFFFAOYSA-N 325.124 4.721 0 40 EJAB O=C(CCc1ccccc1)c1cccc(OC(F)(F)C(F)F)c1 575360149 FTLQFUPHUSCIQA-UHFFFAOYSA-N 326.289 4.739 0 40 EJAB FC(F)(F)c1cc(CSc2nncs2)cc(C(F)(F)F)c1 629095966 KCCSPHADHJHCSP-UHFFFAOYSA-N 344.305 4.868 0 40 EJAB O=C1c2ccccc2N[C@H](c2ccc(F)cc2)N1Cc1ccccc1 70060 AIPXTGKIFBDKBO-FQEVSTJZSA-N 332.378 4.592 0 40 EJAB Cc1ccc(OC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cc1 178524 ZTZMXSMSNKAOHG-UHFFFAOYSA-N 348.427 4.923 0 40 EJAB CSc1nnc(COc2ccccc2C)n1-c1cccc(Cl)c1 421067 DHCULMZSRLIELG-UHFFFAOYSA-N 345.855 4.530 0 40 EJAB O=C(Oc1ccc(C(=O)c2ccccc2)cc1)c1ccc(Cl)cc1 2749130 OCKXYZYCERVAIG-UHFFFAOYSA-N 336.774 4.790 0 40 EJAB COc1ccc(CN(Cc2ccccc2)C(=O)Nc2ccccc2)cc1 4180532 OOYFTBTXKQDTHY-UHFFFAOYSA-N 346.430 4.930 0 40 EJAB Cc1ccc(Sc2c(C)nn(C(=O)c3ccc(C)cc3)c2C)cc1 4747092 QYMUHDIBUWGMMY-UHFFFAOYSA-N 336.460 4.956 0 40 EJAB CC1=C(C)[C@H](c2c(C)[nH]c3ccccc23)N(Cc2ccccc2)C1=O 4814138 WVIIRRIRDLUFTM-OAQYLSRUSA-N 330.431 4.896 0 40 EJAB Cc1ccc(-n2c(=S)[nH]c3sc4c(c3c2=O)[C@@H](C)CCC4)cc1 5818346 CNBBWDBUXZAIAN-NSHDSACASA-N 342.489 4.858 0 40 EJAB Clc1ccc(-c2nnc3sc(/C=C/c4cccs4)nn23)cc1 6226213 GMUVRKXJMLFQEY-BQYQJAHWSA-N 344.852 4.738 0 40 EJAB Cc1ccc(C(=O)Nc2cccc(Cl)c2N2CCCC2)cc1C 6546728 UUSGBCSYLXUPAR-UHFFFAOYSA-N 328.843 4.809 0 40 EJAB CCCCOC(=O)c1ccc(NC(=O)CCC2CCCCC2)cc1 6592495 FFMMNHRLJMWMMX-UHFFFAOYSA-N 331.456 4.943 0 40 EJAB O=C(c1ccc(Cl)cc1)N(Cc1ccco1)Cc1ccccc1F 6747626 DFHWMWCQVMMCLS-UHFFFAOYSA-N 343.785 4.915 0 40 EJAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(F)cc1F 7002516 QCXABUOHMWJPAG-UHFFFAOYSA-N 335.659 4.889 0 40 EJAB C[C@@H]1CCN(C(=O)CSc2ccccc2F)c2ccccc2S1 7910521 KQCDIQMMZNVBJV-CYBMUJFWSA-N 347.480 4.835 0 40 EJAB CCCOc1ccc(C(=O)Nc2cc(-c3ccc(C)cc3)no2)cc1 8915735 SYTKXXPUEIJVLY-UHFFFAOYSA-N 336.391 4.691 0 40 EJAB O=C(Nc1nc2c(Cl)c(Cl)ccc2s1)[C@@H]1CC=CCC1 11377683 FFMWBRSONFJOQJ-MRVPVSSYSA-N 327.236 4.898 0 40 EJAB Cc1cccc(NC(=O)N(C)Cc2ccccc2N2CCCCC2)c1 12549415 MBFCGXRRESRYOL-UHFFFAOYSA-N 337.467 4.649 0 40 EJAB O=C(Nc1ccc(Cl)c(Cl)c1)N(Cc1ccco1)C1CC1 13726602 MJSQCZVWCTZBOA-UHFFFAOYSA-N 325.195 4.783 0 40 EJAB Cc1ccc2nc(Nc3nc4ccccc4nc3Cl)sc2c1 16348731 WAHPXCHZMOMMMR-UHFFFAOYSA-N 326.812 4.945 0 40 EJAB O=C1C[C@@H](c2cccc(Cl)c2)Cc2c1cnn2-c1ccc(F)cc1 17071317 JCLOFEBLWNUBPO-ZDUSSCGKSA-N 340.785 4.578 0 40 EJAB CCOc1ccc([C@H](C)NC(=O)[C@H](C)Sc2ccc(C)cc2)cc1 20490655 ZULHDHMSHASOAX-HOTGVXAUSA-N 343.492 4.752 0 40 EJAB Fc1ccc(-c2nc(COc3ccc(Br)cc3)co2)cc1 24222620 FFPCUVCHFGPWOC-UHFFFAOYSA-N 348.171 4.822 0 40 EJAB O=C(Nc1ccc(Cl)cc1)c1cc(-c2ccccc2Cl)[nH]n1 57412302 NBLYEVRLYMWBOO-UHFFFAOYSA-N 332.190 4.636 0 40 EJAB O=C(c1ccc2c(c1)CCO2)N(CCc1ccccc1)c1ccccc1 58412519 BGNVWVLIOWQMTB-UHFFFAOYSA-N 343.426 4.511 0 40 EJAB CCc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1 78457661 QREAOIMQWPZMEW-UONOGXRCSA-N 331.843 4.547 0 40 EJAB O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cc(F)cc(F)c1 95591066 KAWOWIQMFXXSSD-UHFFFAOYSA-N 332.228 4.507 0 40 EJAB O=C1S/C(=C/c2ccccc2F)C(=O)N1Cc1ccccc1Cl 214098079 IEQSRHHIPUQDSN-OQLLNIDSSA-N 347.798 4.716 0 40 EJAB CCOc1ccc(C(=O)N2CCCC2)cc1CSc1ccccc1 224654791 NSFGMYCVICRIBG-UHFFFAOYSA-N 341.476 4.614 0 40 EJAB CCc1ccc(CC(=O)Nc2ccc(Br)c(C)c2)cc1 224691549 UGVDBIUAEARJID-UHFFFAOYSA-N 332.241 4.501 0 40 EJAB COc1cc(C)c(S(=O)(=O)Nc2ccc(C)cc2C)cc1C(C)C 224902993 KTGIAADOGYOEFZ-UHFFFAOYSA-N 347.480 4.545 0 40 EJAB CC(C)Oc1ccc(NC(=S)NCc2ccc(Cl)cc2)cc1 225305500 GVNJYBQPCGPKHH-UHFFFAOYSA-N 334.872 4.614 0 40 EJAB CCOC(=O)c1cc(N)ccc1NC(c1ccccc1)c1ccccc1 225496597 OXVLMFOIUPSJRT-UHFFFAOYSA-N 346.430 4.647 0 40 EJAB Cc1ccccc1[C@@H](NC(=S)Nc1ccc(F)cc1F)C(C)C 225760915 GWQFKOJUCRZXLD-KRWDZBQOSA-N 334.435 4.957 0 40 EJAB c1ccc(-c2nc(NCC[C@@H]3CCCS3)c3ccccc3n2)cc1 1559247574 PBOFELUXQMXPIL-INIZCTEOSA-N 335.476 4.994 0 40 EJAB C[C@H]1C[C@H](C)CN(c2nc(-c3ccccc3F)nc3ccccc23)C1 2212601 CFBQVHQSIOEIPP-GJZGRUSLSA-N 335.426 4.918 0 40 EJAB CSc1nc2ccc(NC(=O)c3cc(F)cc(F)c3)cc2s1 2726352 UPWDDINCVYIJIS-UHFFFAOYSA-N 336.388 4.549 0 40 EJAB COc1ccc2ccccc2c1[C@@H]1NN=C(c2ccc(C)cc2)S1 2987398 XBOZWXYHDHAUJS-HXUWFJFHSA-N 334.444 4.854 0 40 EJAB CC(C)N(c1ccccc1)c1ccc(NC(=O)c2ccccn2)cc1 3454095 LKCNZWVPVMHNMP-UHFFFAOYSA-N 331.419 4.880 0 40 EJAB O=C(Nc1nc(-c2ccccc2)nc2ccccc12)c1ccc(F)cc1 4106912 MYESLFCLAFQWQU-UHFFFAOYSA-N 343.361 4.688 0 40 EJAB COc1ccc2nc(Nc3nc4c(F)cccc4s3)sc2c1 4137660 DILHEQBHDUMQRW-UHFFFAOYSA-N 331.397 4.797 0 40 EJAB Cc1ccc(CC(=O)Nc2nc3c(s2)CCc2ccccc2-3)c(C)c1 5267966 RYIWIKSYVLYSJF-UHFFFAOYSA-N 348.471 4.707 0 40 EJAB Cc1sc2ncnc(N[C@H]3CCSc4ccccc43)c2c1C 5937647 UNCVTMUMZDJVKC-ZDUSSCGKSA-N 327.478 4.957 0 40 EJAB Cc1nnc(CSc2ncc(-c3ccccc3)n2-c2ccccc2)o1 6609520 HPQOJMFRPSQNNQ-UHFFFAOYSA-N 348.431 4.523 0 40 EJAB O=C1c2ccccc2N[C@@H](c2ccncc2)N1c1ccc(Cl)cc1 6831504 DZUCDUWKFSJSBT-GOSISDBHSA-N 335.794 4.506 0 40 EJAB CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1C(=O)O)N2 6935418 TWTBOXWJVMSHSK-QEEYODRMSA-N 335.403 4.610 0 40 EJAB CCc1cccc(C)c1NC(=O)c1cc(Br)ccc1F 7653425 YPTGIMBJXWVBJY-UHFFFAOYSA-N 336.204 4.711 0 40 EJAB CCc1ccc(CN(Cc2cccnc2)C(=O)c2cc(C)oc2C)cc1 7778012 IKVOIHMOGCLGNL-UHFFFAOYSA-N 348.446 4.696 0 40 EJAB Cc1ccc(N(CC(=O)c2ccc(F)cc2)C2=NCCCCC2)cc1 8411719 CVNDRTDPVKENOY-UHFFFAOYSA-N 338.426 4.796 0 40 EJAB Oc1ccccc1C1=Nc2nc3ccccc3n2[C@@H](c2ccccc2)C1 13127820 ANQWQLGUIIXYDF-HXUWFJFHSA-N 339.398 4.856 0 40 EJAB Cc1cc(NC(=S)N[C@H](C)c2ccccc2)ccc1Br 13795494 AUVJVKJOQXBQDG-GFCCVEGCSA-N 349.297 4.805 0 40 EJAB O=C(CSCc1nc2ccccc2[nH]1)c1ccc2c(c1)CCCC2 15108535 QUHCEHPCYSQTMZ-UHFFFAOYSA-N 336.460 4.558 0 40 EJAB CC(CNC(=O)c1ccccc1F)(c1ccccc1)c1ccccc1 16176796 YMJGYUXLDZRQDQ-UHFFFAOYSA-N 333.406 4.562 0 40 EJAB Cc1ccc(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(C)cc2C)cc1 20487812 ZWELLMYPMJGNAK-IRXDYDNUSA-N 327.493 4.970 0 40 EJAB O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc2c(c1)OCCCO2 22392927 TVBLQMYHAZSQOM-UHFFFAOYSA-N 345.398 4.767 0 40 EJAB CCc1cccc(C)c1NC(=O)c1cc2cc(OC)ccc2nc1C 25765265 GCFILAZGNHGWCJ-UHFFFAOYSA-N 334.419 4.675 0 40 EJAB CCOC(=O)Nc1c(-c2ccc(Cl)cc2)nc2ccc(C)cn12 26964325 DASXPXOCKFYOCR-UHFFFAOYSA-N 329.787 4.532 0 40 EJAB Cc1ccc(C)c(NC(=O)N(C)Cc2ccc(Br)cc2)c1 40095036 WOLJYQUNCJKDFQ-UHFFFAOYSA-N 347.256 4.730 0 40 EJAB CCN(CC)C(=O)Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1 41127149 UHUFSRSTJCFUHF-UHFFFAOYSA-N 342.826 4.559 0 40 EJAB COc1cc2ccccc2cc1C(=O)NCCCc1cccc(C)c1 44902212 FRIRCMZJJKYBAE-UHFFFAOYSA-N 333.431 4.519 0 40 EJAB O=C(c1ccc(C(F)(F)F)cc1)N1CCCCC[C@@H]1c1ccncc1 49765227 RLHWDKNRZIZIOV-QGZVFWFLSA-N 348.368 4.858 0 40 EJAB O=C([C@@H]1CC=CCC1)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 53988077 SKJOPFOKSHPKRJ-CQSZACIVSA-N 344.842 4.544 0 40 EJAB Cc1ccc([C@H](C)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1 59038182 HATFCELUHLUFQL-AWEZNQCLSA-N 341.842 4.891 0 40 EJAB Cc1ccc(F)c(NC(=S)Nc2ccc(OC(F)(F)F)cc2)c1 61242880 FTFLZGGLZMLHBC-UHFFFAOYSA-N 344.333 4.842 0 40 EJAB O=C(NCC[C@@H]1C[C@H]2CC[C@H]1C2)N1CCCCC[C@@H]1c1ccncc1 107334939 PEOZENXAUFGANG-IJXRJRJASA-N 341.499 4.535 0 40 EJAB COc1ccc([C@@H]2CCCCN(C(=O)c3ccc4[nH]ccc4c3)C2)cc1 206883434 QPIQHOVAJVOLBE-LJQANCHMSA-N 348.446 4.586 0 40 EJAB CC[C@H](NC(=O)[C@@H](C)Oc1cccc(Cl)c1)c1ccc(C)c(C)c1 219292697 HNZZHSRLJKWUOZ-BEFAXECRSA-N 345.870 4.992 0 40 EJAB CC[C@H](NC(=O)[C@H](C)Oc1ccc(C)cc1C)c1ccc(C)cc1C 219535500 LCBHSPMJFDIPFT-ICSRJNTNSA-N 339.479 4.955 0 40 EJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCc1cccc2ccccc12 222872857 KBWYWLBPYSBQJI-JOCHJYFZSA-N 347.458 4.930 0 40 EJAB CCOc1ccc(C(=O)N[C@H](C)CC)cc1COc1ccc(C)cc1 224463760 VHVCVFBRJRJSAO-MRXNPFEDSA-N 341.451 4.501 0 40 EJAB CCOc1ccc(C(=O)Nc2ccc(F)cc2F)cc1COC(C)C 224716703 VBXMSPGYSREQAS-UHFFFAOYSA-N 349.377 4.541 0 40 EJAB CCOc1ccc(NC(=O)CCc2ccc(Cl)cc2Cl)cc1 225367259 JFKSMJIHJQUZIX-UHFFFAOYSA-N 338.234 4.963 0 40 EJAB Fc1ccc(NC(=S)NC2(c3ccncc3)CCCC2)cc1Cl 225856854 QIWPEKFWYOTHLW-UHFFFAOYSA-N 349.862 4.630 0 40 EJAB CC1CCN(c2ccc(N)cc2NC(=O)c2cc3ccccc3o2)CC1 226254127 DWBIOBKRDRSCCJ-UHFFFAOYSA-N 349.434 4.504 0 40 EJAB CCc1sc(C)nc1-c1ccc(C(=O)Nc2ccc(O)cc2)cc1 408581645 YJHLREYHYVZCGG-UHFFFAOYSA-N 338.432 4.639 0 40 EJAB O=C(c1csc(-c2ccccc2)n1)N1CC[C@@H](c2ccsc2)C1 675008283 NWMCGWUGGOUPDM-CQSZACIVSA-N 340.473 4.501 0 40 EJAB CCOC(=O)Nc1ccc(N(C)c2c(C)cc(C)cc2C)cc1N 1570009231 KZIKEHOPRGBKQI-UHFFFAOYSA-N 327.428 4.530 0 40 EJAB O=C(Nc1ccccc1C(F)(F)F)c1cccc(Br)c1 306806 MBTQHTKUNQIUSH-UHFFFAOYSA-N 344.130 4.720 0 40 EJAB O=C(Nc1cccc(F)c1)c1cc(-c2ccco2)nc2ccccc12 483830 XNSFQDZVJHFGIW-UHFFFAOYSA-N 332.334 4.886 0 40 EJAB C/C(Cl)=C\CSc1nc(N)c2c3c(sc2n1)C[C@H](C)CC3 522773 VLRSNBJYHDADPU-CBVZUMJXSA-N 339.917 4.633 0 40 EJAB CCCCC(=O)c1ccc(OC(=O)/C=C/c2ccc(OC)cc2)cc1 1919886 CYVUVFHTPRIRFJ-OVCLIPMQSA-N 338.403 4.687 0 40 EJAB biogenic Cc1cccc(CSc2nc3nc(C)c(Br)cc3[nH]2)c1 2450544 RGCOCBMZFHQOQD-UHFFFAOYSA-N 348.269 4.630 0 40 EJAB CCN(CC)c1ccc(NC(=O)CSc2ccccc2Cl)cc1 3218030 QSRKYDIUZVPXQO-UHFFFAOYSA-N 348.899 4.917 0 40 EJAB Fc1cccc2sc(Nc3nc(-c4cccnc4)cs3)nc12 4061284 GREQIPQVWRKGQH-UHFFFAOYSA-N 328.397 4.698 0 40 EJAB O=C(Nc1nc2c(cc3c4c(cccc42)CC3)s1)c1cccs1 4176260 QWAHOGLDOMNPEE-UHFFFAOYSA-N 336.441 4.862 0 40 EJAB Cc1ccc2nc(NCc3ccccn3)nc(-c3ccccc3)c2c1 4193831 PZBBGEWYSVTAKZ-UHFFFAOYSA-N 326.403 4.612 0 40 EJAB Cc1ccc(C)c([C@H](NC(=O)/C=C/c2ccco2)c2ccccc2)c1 4695532 HKKNVLRXLCFERP-CHHLAKQQSA-N 331.415 4.815 0 40 EJAB Cc1oc(C23CC4CC(CC(C4)C2)C3)cc1C(=O)N1CCCCC1 4718043 GQUYKOLUMLMIOR-UHFFFAOYSA-N 327.468 4.682 0 40 EJAB C[C@H](NC(=O)CSC1CCCC1)c1ccc(Cl)cc1Cl 4877701 JYDDMPFEXGEVSR-JTQLQIEISA-N 332.296 4.846 0 40 EJAB O=C(CCCCC(=O)OCC1CCCCC1)OCC1CCCCC1 6130061 KTRQTHPGQDBQNH-UHFFFAOYSA-N 338.488 4.794 0 40 EJAB COc1cc(CSc2nc3ccccc3s2)cc(OC)c1OC 6793289 WSALHCYXMRZOAN-UHFFFAOYSA-N 347.461 4.614 0 40 EJAB O=C(Nc1ccc(Cc2ccncc2)cc1)Nc1ccc(F)cc1F 6831258 VVUAWVFWBSVWQK-UHFFFAOYSA-N 339.345 4.595 0 40 EJAB [O-][n+]1c(-c2ccccc2)c(-c2ccccc2)n(O)c1C1CCCCC1 6885624 KDNRHHNUOSWZKY-UHFFFAOYSA-N 334.419 4.741 0 40 EJAB CC(C)(C)c1ccccc1NS(=O)(=O)c1ccc2ccccc2c1 7056480 NYPMQFFKVAUOGV-UHFFFAOYSA-N 339.460 4.938 0 40 EJAB Fc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccco4)=NN32)cc1 12195053 VIBQLOPNPYCJJC-FXAWDEMLSA-N 334.350 4.661 0 40 EJAB O=C(Nc1ccncc1)c1cc(-c2cccs2)nc2ccccc12 12736967 DRKLHCMTMPKNMQ-UHFFFAOYSA-N 331.400 4.611 0 40 EJAB CN(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccccc1F 13023172 GHMYUMBDDPQDQZ-UHFFFAOYSA-N 340.225 4.724 0 40 EJAB COc1c(C)cccc1C(=O)Nc1ccc(N2CCCC[C@H]2C)cc1 14268986 BOHIFHQXCBDHMP-MRXNPFEDSA-N 338.451 4.635 0 40 EJAB C[C@H]1CNc2ccccc2N(Cc2c(Cl)cccc2Cl)C1=O 15838246 OMRUPCSNIIFGLJ-NSHDSACASA-N 335.234 4.588 0 40 EJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N[C@@H]1CCCc2ccccc21 20481447 GNBVUQQNVVXILH-NHCUHLMSSA-N 337.463 4.655 0 40 EJAB Clc1ccc(-c2noc(-c3cccnc3Cl)n2)cc1Cl 22120337 DEDSVWGRYFSRMC-UHFFFAOYSA-N 326.570 4.759 0 40 EJAB Cc1nc2cc(Cl)ccc2cc1C(=O)N1c2ccccc2C[C@@H]1C 24860614 OHYLBHMGEIDACF-LBPRGKRZSA-N 336.822 4.788 0 40 EJAB C[C@@H](NCc1ccc(-c2nc3ccccc3s2)o1)c1ccccn1 26308685 KIBKWXMWELFCRJ-CYBMUJFWSA-N 335.432 4.802 0 40 EJAB Cc1cccc(CNC(=O)c2c(-c3ccccc3Cl)noc2C)c1 26886098 QDIIMQFIPJKEOV-UHFFFAOYSA-N 340.810 4.542 0 40 EJAB O=C1S/C(=C/C=C/c2ccco2)C(=O)N1c1cccc(Cl)c1 27230267 ZCVZZBFTCNDUHT-BOAPOFAJSA-N 331.780 4.730 0 40 EJAB C[C@H](NC(=O)CSCc1ccc(Cl)cc1)c1ccc(F)cc1 36622801 ACKWIEVCCPUGPR-LBPRGKRZSA-N 337.847 4.590 0 40 EJAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)N1CCC[C@@H]1c1cccs1 57381181 ZAFJFOWSYFHMPC-RHSMWYFYSA-N 338.476 4.946 0 40 EJAB O=C(NCc1cc2ccccc2[nH]1)c1sccc1-c1ccccc1 58901272 SCEDUYYSYVCXQY-UHFFFAOYSA-N 332.428 4.826 0 40 EJAB Cc1cc(Cl)ccc1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1 64580975 HOUXPKUWBUGMFG-UHFFFAOYSA-N 346.217 4.740 0 40 EJAB Cc1[nH]c(=S)ccc1[C@H]1CCCN1C(=O)OCc1ccccc1 72218376 XOEYDQCGAITHQG-MRXNPFEDSA-N 328.437 4.526 0 40 EJAB Cc1cccc(-c2cccc([C@H]3CCCN(Cc4ccccn4)C3)n2)c1 72348920 QEGMCYJDJOFWRO-FQEVSTJZSA-N 343.474 4.832 0 40 EJAB Cc1cc(=O)oc2cc(Oc3ncnc4ccsc34)c(Cl)cc12 73109127 VEWDWNPDLLHMNF-UHFFFAOYSA-N 344.779 4.552 0 40 EJAB Cc1csc(C2(NCc3csc(-c4ccoc4)n3)CCCC2)n1 83225678 RCNBRKDIFWMMMD-UHFFFAOYSA-N 345.493 4.727 0 40 EJAB O=C(Nc1ccc(F)cc1F)N1C[C@H]2CCCC[C@@]21c1ccccc1 84525238 LYCVMSUSPKJXLG-FOIQADDNSA-N 342.389 4.898 0 40 EJAB Brc1ccc(NCc2csc(-c3ccco3)n2)cc1 95348855 LQZPJRQXNTVGCX-UHFFFAOYSA-N 335.226 4.778 0 40 EJAB Clc1ccccc1-c1nc2c3cc(-c4ccccc4)oc3ncn2n1 96194524 MITQLPHSZXUGHJ-UHFFFAOYSA-N 346.777 4.858 0 40 EJAB COc1ccccc1[C@H]1C2=C(O)CC(C)(C)CC2=Nc2onc(C)c21 102720996 RPXSBFXCHIBBAG-QGZVFWFLSA-N 338.407 4.842 0 40 EJAB Cc1nscc1C(=O)Nc1nc2ccccc2n1C1CCCCC1 181152060 RHWBHBXYLYISTK-UHFFFAOYSA-N 340.452 4.559 0 40 EJAB Fc1ccc(NC(=S)NCc2ccc(Cl)cc2Cl)cc1F 225306616 CMELFPDSXQCCIG-UHFFFAOYSA-N 347.217 4.758 0 40 EJAB Cc1ccc2oc(-c3ccc(N4Cc5ccccc5C4=O)cc3)nc2c1 226287197 YDDVLZLKAPUYGO-UHFFFAOYSA-N 340.382 4.964 0 40 EJAB COc1cccc(OC(=O)c2ccc(COc3cccc(C)c3)cc2)c1 409182570 MVIDDEMBAHKKOP-UHFFFAOYSA-N 348.398 4.802 0 40 EJAB Cc1ccc(C(C)C)c(OCC(=O)Nc2cccc3cccnc23)c1 363423 CIVHQCYUCAUCLK-UHFFFAOYSA-N 334.419 4.684 0 40 EJAB Cc1c(C(=O)Nc2ccc(C(C)(C)C)cc2)cnn1-c1ccccc1 385351 FIXNBDKHBMPSQI-UHFFFAOYSA-N 333.435 4.731 0 40 EJAB COc1cccc(NC(=O)C(C)(c2ccccc2)c2ccccc2)c1 513724 CFNSUEQBFXOONW-UHFFFAOYSA-N 331.415 4.640 0 40 EJAB COc1ccc(-n2cc(-c3ccccc3)c3c(SC)ncnc32)cc1 2456241 LKRJJSASTAWAHB-UHFFFAOYSA-N 347.443 4.818 0 40 EJAB Cc1c(OCc2ccccc2Cl)ccc2c3c(c(=O)oc12)CCC3 3893161 RIVZYTDAHKKVRR-UHFFFAOYSA-N 340.806 4.823 0 40 EJAB COc1cccc(C(=O)Nc2nc(-c3ccccc3Cl)cs2)c1 4369143 SZDAJKDKUDEHOS-UHFFFAOYSA-N 344.823 4.724 0 40 EJAB O=C(CSc1ccccc1)Nc1nc2ccc(Cl)cc2s1 4496610 XJIQFOZJBRHPFB-UHFFFAOYSA-N 334.853 4.681 0 40 EJAB CC(C)=C[C@H]1[C@H](C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)C1(C)C 4753550 ITSBNEWNJSOISB-GKCQOKHPSA-N 329.528 4.946 0 40 EJAB COc1ccc(N[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)cc1 7223416 YETRVDZUGACRMN-MRXNPFEDSA-N 346.430 4.801 0 40 EJAB Fc1ccc(-c2cc(-c3nc(-c4cccc(Cl)c4)no3)[nH]n2)cc1 7998487 HEEMQODRWHZTAR-UHFFFAOYSA-N 340.745 4.586 0 40 EJAB Cc1cc(OCC(=O)N[C@H](C)c2cc3ccccc3o2)ccc1Cl 8154317 UJYVHUPEMXOEFN-CYBMUJFWSA-N 343.810 4.651 0 40 EJAB Cc1ccc2cccc(OC(=O)Cc3c(Cl)cccc3Cl)c2n1 8429542 XZUZJUUNOZBNEV-UHFFFAOYSA-N 346.213 4.998 0 40 EJAB COc1ccc(CNC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc1 12292964 REUOAXZDIUGKNW-UHFFFAOYSA-N 341.794 4.539 0 40 EJAB Cc1ccc(C)c(NS(=O)(=O)Cc2c(Cl)cccc2Cl)c1 13677492 AESIUZHGOWKXLO-UHFFFAOYSA-N 344.263 4.552 0 40 EJAB CCCCOP(=O)(OCCCC)[C@H](O)C(Cl)(Cl)Cl 16639129 QAUKMLDDNLHSIP-VIFPVBQESA-N 341.599 4.502 0 40 EJAB CC[C@H](C)c1ccccc1O[C@H](CC)C(=O)Nc1cccc(N)c1C 19736763 LZTSAPZVBGLMIR-IFXJQAMLSA-N 340.467 4.887 0 40 EJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccccc1OC 20050403 BYQRRPRYWMHPNG-GOSISDBHSA-N 335.403 4.645 0 40 EJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H](C)c1ccc(C)cc1 20483882 AXHZDQLVGLBIMR-XLIONFOSSA-N 325.452 4.647 0 40 EJAB CC(C)Cc1ccc(-c2cnc(CCC(=O)N[C@H](C)C(C)C)o2)cc1 22316308 XBQWFSXFUGCZDU-MRXNPFEDSA-N 342.483 4.633 0 40 EJAB Cc1noc(-c2ccc(C(=O)OCc3cccc4ccccc34)cc2)n1 22977730 SQBPQEWKHGGVAF-UHFFFAOYSA-N 344.370 4.555 0 40 EJAB Cc1ccc2sc(NC(=O)c3c(F)cccc3Cl)nc2c1C 28304910 WCWXOJYJIUKEOJ-UHFFFAOYSA-N 334.803 4.958 0 40 EJAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(OC)c(Cl)c1 30852849 SBZGRXRMEYMPFX-INIZCTEOSA-N 347.842 4.762 0 40 EJAB CN(Cc1cccc(F)c1)C(=O)c1sccc1-c1ccccc1 36185159 YJZOWNFCBZZHLZ-UHFFFAOYSA-N 325.408 4.826 0 40 EJAB CC[C@@H](NC(=O)c1cc(C2CC2)nc2onc(C)c12)c1ccc(C)cc1 36614056 UFYNXIUHHSOYBD-QGZVFWFLSA-N 349.434 4.598 0 40 EJAB C[C@@H](c1ccccc1)n1c([C@H](O)c2ccccc2)nc2ccccc21 40224190 SKVSGFPMANFINY-HRAATJIYSA-N 328.415 4.727 0 40 EJAB CCc1cccc(C)c1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1 44257448 DOBZYOAPLSHTFZ-UHFFFAOYSA-N 339.826 4.649 0 40 EJAB Cc1noc([C@H](C)SCc2csc(-c3ccc(F)cc3)n2)n1 56232965 ZNUMVQSEPWTMKP-VIFPVBQESA-N 335.429 4.635 0 40 EJAB CSc1ccc(-c2noc(CN(CC(C)C)CC(C)C)n2)cc1 57427579 YORXCMWUSOKIMX-UHFFFAOYSA-N 333.501 4.573 0 40 EJAB CC(C)(C)OC(=O)N1CCC(Nc2ccccc2C(F)(F)F)CC1 95830902 CUHAMCCERFSWRB-UHFFFAOYSA-N 344.377 4.517 0 40 EJAB CCOc1cccc(NC(=O)[C@H](C)Oc2ccc3ccccc3c2)c1 113945469 OLNQAFTWAKHAGW-HNNXBMFYSA-N 335.403 4.645 0 40 EJAB Cc1oc(-c2ccco2)nc1C[S@@](=O)[C@H](C)c1ccc(Cl)cc1 194542803 CGLXPMCCBUZXQR-SFDCACGMSA-N 349.839 4.906 0 40 EJAB O=C(O)[C@@H](Cc1ccc(Cl)cc1Cl)Oc1ccccc1Cl 225085011 UTWVBYVIKFHRTN-CQSZACIVSA-N 345.609 4.722 0 40 EJAB Cc1ccc(S[C@@H](Cc2cccc(C(F)(F)F)c2)C(=O)O)cc1 225095009 BPLQZDLMLLBORA-HNNXBMFYSA-N 340.366 4.802 0 40 EJAB COc1ccc2cc(C(=O)Nc3cccc4ccccc34)c(C)nc2c1 408712956 DFLWCILOJQXVAT-UHFFFAOYSA-N 342.398 4.957 0 40 EJAB CCCN1C(=O)S/C(=C\c2cn(CC(C)C)c3ccccc23)C1=O 409139399 APIWFDOTLUPHHB-YVLHZVERSA-N 342.464 4.744 0 40 EJAB CCCCC[C@H](O)CCC1=C(O)C[C@@H]2Cc3c(O)cccc3C[C@H]12 1560405334 HDDFPRJOYVIENT-BQFCYCMXSA-N 330.468 4.660 0 40 EJAB CSc1sc(SC)c(Br)c1Br 42383 KGOPEIOBSMFCAK-UHFFFAOYSA-N 334.123 4.717 0 40 EJAB COC(=O)c1c(C)n(-c2ccc(C)cc2)c2c1cc(O)c1ccccc12 95533 YAUDJHUHZWMMJN-UHFFFAOYSA-N 345.398 4.893 0 40 EJAB CC[C@@]1(C)C[C@](CCNCc2ccc(OC)cc2)(C(C)C)CCO1 2111059 IQRLISDRZDPFHJ-LEWJYISDSA-N 333.516 4.796 0 40 EJAB biogenic CCc1ccc2c(c1)c1nc(C)sc1n2CCN1CCCCC1 2231177 BLLXPOFCSYKYLR-UHFFFAOYSA-N 327.497 4.608 0 40 EJAB Cc1ccc2c(CC(=O)Nc3ccc4nc(C)sc4c3)coc2c1 2617989 YCUTVGLTXHFKCE-UHFFFAOYSA-N 336.416 4.841 0 40 EJAB CN(C)[C@H](C(=O)c1ccccc1)C(c1ccccc1)c1ccccc1 2631274 SZXDHSMXKRLDLO-QFIPXVFZSA-N 329.443 4.632 0 40 EJAB Cc1ccc(SCC(=O)Nc2ncc(Cl)cc2Cl)cc1C 2631875 AQFIGDYOTPCCOF-UHFFFAOYSA-N 341.263 4.736 0 40 EJAB CC[C@H](O)c1nc2ccccc2n1CCCCOc1ccc(C)cc1 4317855 BIIGLWKPJJRQJY-FQEVSTJZSA-N 338.451 4.647 0 40 EJAB CC1(C)[C@H]2CC[C@@H](CCOC(=O)COc3ccc(Cl)cc3)[C@@H]1C2 4416322 RTFSEUXOASYQQB-ZQIUZPCESA-N 336.859 4.724 0 40 EJAB O[C@H](CCN1CC[C@@H]2CC[C@@H](C2)C1)c1ccc(-c2ccccc2)cc1 4934839 HYPJFDGAMUYUKL-SFYKDHMMSA-N 335.491 4.899 0 40 EJAB CCCn1c(=S)[nH]c2sc3c(c2c1=O)CC[C@H](C(C)(C)C)C3 5925230 MMUNBIZIULBPRB-JTQLQIEISA-N 336.526 4.682 0 40 EJAB Cc1ccc(C2=N/C(=C\c3ccc(Cl)cc3)C(=O)O2)cc1Cl 6478114 DGJAOHUACACRQW-NVNXTCNLSA-N 332.186 4.646 0 40 EJAB CCCOc1c(Cl)cc(C(=O)Nc2ccc(CC)cc2)cc1OC 6636238 XCOMHOQDCLBSRB-UHFFFAOYSA-N 347.842 4.952 0 40 EJAB COc1cc(Cl)c(C)cc1NC(=O)CCc1c[nH]c2ccccc12 6879237 XYUWMCKOBQNIRB-UHFFFAOYSA-N 342.826 4.710 0 40 EJAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cccc(Cl)c1Cl 6931775 JOUDASCCMKGNAJ-SECBINFHSA-N 328.170 4.539 0 40 EJAB CCCCNCc1ccc(OCc2ccccc2Cl)c(OC)c1 7261683 GBDFFFUJUXTCEQ-UHFFFAOYSA-N 333.859 4.817 0 40 EJAB C[C@@H](NC(=O)c1ccc(C2SCCCS2)cc1)c1ccco1 8360377 PAZBBPCSLHQEGO-GFCCVEGCSA-N 333.478 4.639 0 40 EJAB COc1ccccc1N[C@@H](C)C(=O)Nc1ccccc1-c1ccccc1 9315319 PKJNRHZWDNSASK-INIZCTEOSA-N 346.430 4.801 0 40 EJAB Cc1ccc(Nc2nnc(SCc3ccccn3)s2)cc1Cl 12632075 VGQMQENXFYDGDQ-UHFFFAOYSA-N 348.884 4.931 0 40 EJAB Cc1ccc(NC(=O)[C@@H](C)N(C)Cc2ccc3ccccc3c2)c(C)c1 12910303 GIKBZVGTBMZLFG-GOSISDBHSA-N 346.474 4.916 0 40 EJAB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 14400613 NIIRBJYUXMFRCT-JTQLQIEISA-N 343.732 4.765 0 40 EJAB Cc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccccc2C(C)C)cc1 20493336 IHQWROWYYSPYMB-DLBZAZTESA-N 325.452 4.763 0 40 EJAB c1ccc(C(NCc2ccc(-n3ccnc3)cc2)c2ccccc2)cc1 22772625 LKVVQWWQEJCPSA-UHFFFAOYSA-N 339.442 4.752 0 40 EJAB CCc1ccc2occ(CC(=O)Nc3cccc4ncccc34)c2c1 27587523 LKLNWCOVFMNEIO-UHFFFAOYSA-N 330.387 4.725 0 40 EJAB COc1cccc([C@H](C)N[C@@H](C)c2cccc(Br)c2)c1 37507757 SORHILJROYFRNC-STQMWFEESA-N 334.257 4.870 0 40 EJAB C[C@@H](Sc1nncs1)c1cccc(NC(=O)c2ccccc2)c1 53452339 DYDAIHGCHWGLTF-GFCCVEGCSA-N 341.461 4.644 0 40 EJAB C[C@H](N[C@@H](C)c1ccccc1)C(=O)Nc1cc(Cl)ccc1Cl 58160712 XKLYXBCXPBHGGD-RYUDHWBXSA-N 337.250 4.671 0 40 EJAB CC[C@@H](NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccc(C)cc1 59351741 WDOGCJDOXYUKGY-HXUWFJFHSA-N 339.479 4.939 0 40 EJAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1ccccc1SC 113971263 DKSIZXSFSOTCNT-MRXNPFEDSA-N 329.465 4.821 0 40 EJAB O=C(COc1cccc2cccnc12)Nc1ccc(Cl)cc1Cl 193820583 GZVLZVCJDHVKQM-UHFFFAOYSA-N 347.201 4.559 0 40 EJAB COc1ccc([C@@H]2CCCCN(C(=O)/C=C/c3cccs3)C2)cc1 208002761 CYTRAQGKWXRPLU-FMQWLBJXSA-N 341.476 4.566 0 40 EJAB COc1ccc(C(=O)NC(C)C)cc1COc1ccccc1C(C)C 224225620 FMXURIJJAUEURZ-UHFFFAOYSA-N 341.451 4.536 0 40 EJAB C[C@H](Oc1cccc2ccccc12)C(=O)NC[C@H](C)c1ccccc1 224288051 TZYSOFAHIGAPFU-IRXDYDNUSA-N 333.431 4.527 0 40 EJAB CC(C)CO[C@H](Cc1ccccc1Sc1ccccc1)C(=O)O 225132778 DAEPPSQZFUUSOG-QGZVFWFLSA-N 330.449 4.506 0 40 EJAB COc1ccc([C@@H](C)NC(=S)Nc2ccc(OC(C)C)cc2)cc1 225466083 COHORXBICWTECQ-CQSZACIVSA-N 344.480 4.530 0 40 EJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(F)c(F)c1 225570053 WRXALYXJTYJTNN-IBGZPJMESA-N 345.389 4.640 0 40 EJAB CC[C@H](C(=O)NCc1ccnc(-c2cccs2)c1)c1ccccc1 225650250 WFEJUGOJOWVZKW-KRWDZBQOSA-N 336.460 4.620 0 40 EJAB CC[C@@H](C)Oc1ccc(NC(=O)[C@@](C)(CC)OC)c2ccccc12 225792051 RPWOXVWYXQYWAQ-JLTOFOAXSA-N 329.440 4.771 0 40 EJAB CCC[C@@](C)(OCC)C(=O)Nc1ccc(OC(C)C)c2ncccc12 225895610 JWKFEHCBUKWTNU-HXUWFJFHSA-N 344.455 4.556 0 40 EJAB O=C(Oc1ccc(-c2ccc(F)cc2)nn1)c1cccc2ccccc12 408531621 VJMQJVFAZSRWTE-UHFFFAOYSA-N 344.345 4.655 0 40 EJAB COc1cc2c(cc1C)-c1[nH]c(=Nc3ccccc3C)sc1CC2 408883974 XLDMTUGWPOVFNU-UHFFFAOYSA-N 336.460 4.700 0 40 EJAB Cc1ccnc([C@H](C)Nc2ccc(-c3cn4ccccc4n3)cc2)c1 514744664 LAUCFCQYBXYIRG-INIZCTEOSA-N 328.419 4.878 0 40 EJAB CC(C)c1ccoc1C(=O)N(C(C)C)[C@@H]1CCCc2cccnc21 585081242 SLHUKODHOFLDDJ-QGZVFWFLSA-N 326.440 4.726 0 40 EJAB O=C(COc1ccc(Cl)cc1Cl)Oc1ccc(Cl)cc1 64764 UZCUAGMMZQMCQD-UHFFFAOYSA-N 331.582 4.631 0 40 EJAB COc1ccc(CNCC[C@H](c2ccc(OC)cc2)C(C)C)cc1 1825406 WNFVLBAWTDPPDE-NRFANRHFSA-N 327.468 4.623 0 40 EJAB biogenic O=c1c2c(-c3ccc(Cl)cc3)csc2nc2n1CCCCC2 3210685 PPVBFXCITDPYIM-UHFFFAOYSA-N 330.840 4.505 0 40 EJAB CC[C@@H](C)c1ccc(NC(=O)COC(=O)CCC2CCCC2)cc1 3217135 RPAOOTSPWBUINJ-OAHLLOKOSA-N 331.456 4.652 0 40 EJAB CCCCC[C@H]1[C@@H](OC(=O)Nc2ccccc2)CC[C@@H]1CC(=O)OC 4024241 AUTCMLIZMUTLIQ-NXHRZFHOSA-N 347.455 4.773 0 40 EJAB biogenic Cn1c(-c2ccccc2)cnc1NCc1ccc(C(F)(F)F)cc1 4678465 ODRAZRNHVFAOJB-UHFFFAOYSA-N 331.341 4.718 0 40 EJAB CSc1ccc(C(=O)Nc2nc3ccc(Cl)cc3s2)cc1 5222705 WLWSMJJDNGZDPQ-UHFFFAOYSA-N 334.853 4.924 0 40 EJAB CC(C)c1ccc(/C=C2\SC(=O)N(c3cccc(O)c3)C2=O)cc1 5376196 YPOCKPYSDYXXEN-YVLHZVERSA-N 339.416 4.757 0 40 EJAB Cc1occc1-c1nnc(S[C@@H](C)c2ccccc2Cl)n1C 7236725 FIIFDAKSLXBWGR-NSHDSACASA-N 333.844 4.890 0 40 EJAB COc1ccc(S(=O)(=O)Nc2ccc(C(C)C)cc2)cc1C(C)C 7360969 WQALVNJLECHXSJ-UHFFFAOYSA-N 347.480 4.743 0 40 EJAB CC[C@@H](C)NCc1ccc(OCc2ccc(Cl)cc2)c(OC)c1 8325959 GWAIGRZRAAYPKR-CQSZACIVSA-N 333.859 4.816 0 40 EJAB Cc1cccc(C(C)C)c1NC(=O)c1cc2c(C)nn(C)c2s1 8851738 CQIQPUIWHGUSON-UHFFFAOYSA-N 327.453 4.627 0 40 EJAB CC1=Nc2ccccc2N=C(NC(=O)c2ccco2)[C@H]1c1ccccc1 9183728 KCJDQXLNWQZJTL-LJQANCHMSA-N 343.386 4.629 0 40 EJAB COc1cc2ccccc2cc1C(=O)N(C)Cc1cccc(Cl)c1 9545048 WNDPHXZDWZDSBQ-UHFFFAOYSA-N 339.822 4.774 0 40 EJAB Cc1cc(Cl)ccc1NC(=O)CCc1c(C)nn(CC(C)C)c1C 12794033 KPJKZVNRXLQRDR-UHFFFAOYSA-N 347.890 4.689 0 40 EJAB CC(C)(C)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)O)cc1 13186892 ORQXRTACBFCKCS-UHFFFAOYSA-N 331.799 4.588 0 40 EJAB O=C(CCc1ccccc1Cl)Nc1cccc(Br)c1 14553087 KEHHXUNIZFTWNL-UHFFFAOYSA-N 338.632 4.674 0 40 EJAB CC[C@@H](Oc1ccccc1[C@H](C)CC)C(=O)Nc1cc(N)ccc1C 19736725 PBYZPQVAQPNFDE-AUUYWEPGSA-N 340.467 4.887 0 40 EJAB CCN(C(=O)c1ccccc1OC)c1nc2cc(Cl)ccc2s1 24925040 AZACWJNUZXMXQH-UHFFFAOYSA-N 346.839 4.625 0 40 EJAB CCCn1nc(C)c2c(C(F)F)cc(-c3ccc(OC)cc3)nc21 36615980 GGFZXEWHFFBEQD-UHFFFAOYSA-N 331.366 4.763 0 40 EJAB COc1cc(Br)c2oc(-c3ccc(C)c(C)c3)nc2c1 45920242 YQQJFQKWRCKSIQ-UHFFFAOYSA-N 332.197 4.883 0 40 EJAB O=C(Nc1cccc(Br)c1)Nc1ccc(F)cc1Cl 51354353 IEKJCHVTLFUYSA-UHFFFAOYSA-N 343.583 4.886 0 40 EJAB Cc1[nH]c2c(C(=O)N(C)Cc3ccc([C@H]4C[C@H]4C)o3)cccc2c1C 65537277 GTHHBUBZKSBMQU-XIKOKIGWSA-N 336.435 4.773 0 40 EJAB COc1ccc(-c2cc3c(-c4ccc(O)cc4)cccc3oc2=O)cc1 71404999 QBYVBBQIBWVCKB-UHFFFAOYSA-N 344.366 4.841 0 40 EJAB O=C(CCn1ccc2c(Cl)cccc21)Nc1cccc2[nH]ccc12 72325296 SOGITJIKBWROCU-UHFFFAOYSA-N 337.810 4.805 0 40 EJAB biogenic CCc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2)cc1 78458014 VWNTWPSSXDJYTA-DLBZAZTESA-N 325.452 4.511 0 40 EJAB O=C(Cc1cccc2ccccc12)Nc1cccc(CN2CCCC2)c1 89873226 FQCOGBUBCOOVIO-UHFFFAOYSA-N 344.458 4.617 0 40 EJAB CCc1nc(CNc2ccc(Cl)c(Br)c2)cs1 94670360 ZNTCCIQXFKHHRB-UHFFFAOYSA-N 331.666 4.734 0 40 EJAB O=C(Cc1c[nH]c2ccccc12)NCc1ccccc1-c1ccsc1 96383422 NFLVVJBZKSBUIZ-UHFFFAOYSA-N 346.455 4.755 0 40 EJAB COc1ccc([C@H]2CCCCN(C(=O)c3ccc4[nH]ccc4c3)C2)cc1 206883479 QPIQHOVAJVOLBE-IBGZPJMESA-N 348.446 4.586 0 40 EJAB NC[C@H](OCc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl 212541342 OKCIIBHHLAAJHP-HNNXBMFYSA-N 330.642 4.863 0 40 EJAB in-vitro O=C1S/C(=C/c2ccccc2F)C(=O)N1Cc1ccc(Cl)cc1 214155880 WAMCDZJUPXLFOO-OQLLNIDSSA-N 347.798 4.716 0 40 EJAB C[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc2ccccc2c1 222794800 CZGKBSKBEJCQTL-AWEZNQCLSA-N 339.822 4.577 0 40 EJAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc(OC)c1 222906827 UQNSCVHTDFTYJH-IBGZPJMESA-N 341.451 4.789 0 40 EJAB Cc1ccc(C(=O)NCCCc2cccc(OC(C)C)c2)c(Cl)c1 225003215 ZVUAVRWZCSJXJR-UHFFFAOYSA-N 345.870 4.798 0 40 EJAB O=C(O)[C@@H](Cc1ccccc1Oc1ccccc1)OCc1ccccc1 225140659 CYYZRKLEBJERRD-OAQYLSRUSA-N 348.398 4.691 0 40 EJAB CC(C)(C)SCCNC(=S)Nc1ccc(C(F)(F)F)cc1 225351251 JBVOFAHRIRLULD-UHFFFAOYSA-N 336.448 4.524 0 40 EJAB O=C(c1ccccc1)c1cc(Cl)ccc1NC(=O)C1CCCC1 225726697 XOVFZYPFGVZAPL-UHFFFAOYSA-N 327.811 4.700 0 40 EJAB CCCNC(=O)Nc1cc(Cl)ccc1Oc1ccc(OC)cc1 225775419 UCLKBLIMYAKLQW-UHFFFAOYSA-N 334.803 4.672 0 40 EJAB Fc1ccc(NC(=S)NCCCc2cccc3ccccc23)cc1 225808441 NMQOFYYSYONWPY-UHFFFAOYSA-N 338.451 4.898 0 40 EJAB CCOC1(C(=O)Nc2ccc(OC(C)C)c3ccccc23)CCCC1 225829331 WWKPVGJSDAXJHQ-UHFFFAOYSA-N 341.451 4.915 0 40 EJAB Cc1nc(-c2ccccc2)oc1C(=O)N[C@@H](C)c1cccc(Cl)c1 607715202 XLNQTCPIPLZBPA-LBPRGKRZSA-N 340.810 4.794 0 40 EJAB CC(C)c1ccc(-c2oc3cc4c(cc3c2CC(=O)O)OCO4)cc1 1547138523 BSMOESJIBJIRIC-UHFFFAOYSA-N 338.359 4.579 0 40 EJAB biogenic Cc1cccc([C@H](C)NC(=O)c2cc3ccc(C(F)(F)F)cc3[nH]2)c1 1632532372 HIIKQJTUSIGWHZ-LBPRGKRZSA-N 346.352 4.986 0 40 EJAB O=C(Nc1ccccc1C(F)(F)F)c1ccccc1Br 38975 RDAYQONDWYRSDK-UHFFFAOYSA-N 344.130 4.720 0 40 EJAB O=C(COc1cccc2ccccc12)Nc1cccc(C(F)(F)F)c1 289343 PKRPLECKMUNVRE-UHFFFAOYSA-N 345.320 4.876 0 40 EJAB Cc1ccccc1OCC(=O)Nc1cc(C(F)(F)F)ccc1Cl 341745 IPZCRBKKOHBSFJ-UHFFFAOYSA-N 343.732 4.685 0 40 EJAB CCOC(=O)CCCCCCC(=O)c1cccc(C(F)(F)F)c1 2580327 CGUPIRGEDYNVJF-UHFFFAOYSA-N 330.346 4.792 0 40 EJAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NC1CCCCCCC1 3458923 PXHROCYYSVQPRV-UHFFFAOYSA-N 345.874 4.677 0 40 EJAB Cc1ccc(-c2cc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)cc1 3644857 GHWWRQUAJSMGSS-UHFFFAOYSA-N 343.308 4.984 0 40 EJAB O=C(Nc1nnc(-c2ccc(F)cc2)s1)c1cccc2ccccc12 4072297 MDEIVSJRVHUNKG-UHFFFAOYSA-N 349.390 4.750 0 40 EJAB COc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1C1(CCCCC1)O2 4281984 MAVQVQWPTSXCEE-FQEVSTJZSA-N 348.446 4.899 0 40 EJAB Cc1ccc2sc(-c3ccc(NC(=O)c4cccnc4)cc3)nc2c1 5027349 WJTXPXORXUYSDC-UHFFFAOYSA-N 345.427 4.919 0 40 EJAB CC(=O)Nc1ccccc1OCc1csc(-c2ccc(C)cc2)n1 5111850 GPKUDVAHJCNQPX-UHFFFAOYSA-N 338.432 4.656 0 40 EJAB C[C@H](NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1)c1ccc(F)cc1 5471397 KPDXQHLLSLPLQB-LSDHHAIUSA-N 343.442 4.768 0 40 EJAB C=Cn1ccnc1[C@@](O)(c1ccccc1)c1ccc(C(C)(C)C)cc1 5500964 LNHKRKBYQRFKMF-JOCHJYFZSA-N 332.447 4.565 0 40 EJAB COc1ccc(NC(=O)Cc2cccc3ccccc23)cc1Cl 6303181 OWKUWHGQOZYGSO-UHFFFAOYSA-N 325.795 4.683 0 40 EJAB COc1ccc(CCC(=O)Nc2c(C)cccc2C(C)C)cc1OC 7264139 WULYHLDKRXCOJG-UHFFFAOYSA-N 341.451 4.707 0 40 EJAB Cc1nc(-c2cccc(NC(=O)c3cc4c(s3)CCC4)c2)cs1 8777424 PSQDWVZVTCANLZ-UHFFFAOYSA-N 340.473 4.921 0 40 EJAB O=C(Nc1ccccc1-c1nc(-c2ccccc2)no1)c1cccs1 12377043 DWFCVLANIPULLJ-UHFFFAOYSA-N 347.399 4.717 0 40 EJAB CC1=C(C)[C@@H](Sc2ccc(F)cc2)N(Cc2ccccc2)C1=O 13943399 HPHDWWLTWSMPAC-LJQANCHMSA-N 327.424 4.623 0 40 EJAB Cc1ccc2c(CC(=O)N[C@@H](C)CCc3ccccc3)coc2c1C 14125747 AFMCKMRKADJWFX-INIZCTEOSA-N 335.447 4.730 0 40 EJAB Cc1ccc(Nc2ncnc3c2cnn3-c2cccc(Cl)c2)c(C)c1 17025975 OICNESFQMWCJPT-UHFFFAOYSA-N 349.825 4.829 0 40 EJAB O=C(Nc1ccc(Cl)cc1)c1cc2c(nc3sccn32)s1 22739138 DRABQDZNXNVRQR-UHFFFAOYSA-N 333.825 4.516 0 40 EJAB O=C(Nc1ccccc1SCC(F)(F)F)c1ccc(Cl)o1 25089522 MLQJKBJOHNMBPZ-UHFFFAOYSA-N 335.734 4.840 0 40 EJAB COc1cccc2c1CC[C@@H]1[C@H]2CC[C@@H]2C[C@H](OC(C)=O)CC[C@@]21C 25665359 NTOWCXZNUSRHKI-IOVQJWLYSA-N 342.479 4.873 0 40 EJAB CC(=O)Nc1cccc([C@@H](C)NC(=O)Nc2ccc(C(C)C)cc2)c1 40096986 IIYVFABYIWUUNT-CQSZACIVSA-N 339.439 4.651 0 40 EJAB CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@@H](C)c1ccc(C)cc1 44849556 MODVMAMWKMOTAA-HKUYNNGSSA-N 325.452 4.647 0 40 EJAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)N[C@@H](C)c2cc(C)ccc2C)c1 44900069 GKPGGMBXKNINMO-OALUTQOASA-N 339.479 4.873 0 40 EJAB Cc1ccc2cc(C(=O)N(Cc3ccc([C@@H]4C[C@@H]4C)o3)C3CC3)[nH]c2c1 48303177 FOJDDGVLACLPQJ-KBXCAEBGSA-N 348.446 4.998 0 40 EJAB Cc1ccc2cc(C(=O)N(Cc3ccc([C@H]4C[C@H]4C)o3)C3CC3)[nH]c2c1 48303180 FOJDDGVLACLPQJ-KDOFPFPSSA-N 348.446 4.998 0 40 EJAB Cc1c([C@@H](C)Nc2nc3ccccc3o2)cnn1-c1ccc(F)cc1 51824357 LEJURLLPFFUNJL-GFCCVEGCSA-N 336.370 4.634 0 40 EJAB FC(F)(F)c1ccccc1[C@@H]1NCc2ccccc2-n2cccc21 55028103 XQKNXKHZYXBGMR-SFHVURJKSA-N 328.337 4.689 0 40 EJAB Cc1ccc(NC(=O)[C@H](C)SC/C=C/c2ccccc2)cc1F 58201690 XYCCCVGJGWRBNA-PPYMECGQSA-N 329.440 4.908 0 40 EJAB O=C(Nc1nc2ccccc2s1)N[C@@H](c1ccccc1)c1ccco1 58377715 YJFMACCQDOWFHY-KRWDZBQOSA-N 349.415 4.800 0 40 EJAB Cc1ccsc1CN(C)C(=O)c1ccccc1Cc1ccccc1 60637459 DHQOOCVEDOSLLI-UHFFFAOYSA-N 335.472 4.920 0 40 EJAB CC1=Nc2c(c(O)nn2C2CCCCCC2)[C@H](c2cccnc2)S1 71284667 SHVVHVHXHLTRLO-INIZCTEOSA-N 342.468 4.765 0 40 EJAB Fc1cccc(Cl)c1CN1CCC(c2c[nH]c3ncccc23)CC1 84339050 REMJKHHGULBGJE-UHFFFAOYSA-N 343.833 4.735 0 40 EJAB Cc1ccc(N2CCC(C(=O)Nc3ccc(C(C)C)cc3)CC2)cc1 219848799 AIHBZXLKRYPORW-UHFFFAOYSA-N 336.479 4.974 0 40 EJAB Cc1ccc(CCC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1C 223001074 PLOAEBIBCFKKFH-GOSISDBHSA-N 335.491 4.992 0 40 EJAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1cccc(C(C)=O)c1 223018494 YFQBWOVNACBEDA-SFHVURJKSA-N 345.826 4.647 0 40 EJAB Cc1cc(C)c([C@@H](C)NC(=O)c2ccccc2Br)cc1C 223404035 DFHSKBSSUZDGPH-CQSZACIVSA-N 346.268 4.865 0 40 EJAB CCCCOc1ccc(NC(=O)C2(OC)CCCC2)c2ccccc12 225804718 HOFRHFJKFMIGGR-UHFFFAOYSA-N 341.451 4.916 0 40 EJAB CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OC)c2ccccc12 225820879 DWQPCYBHVKXROQ-HXUWFJFHSA-N 329.440 4.628 0 40 EJAB COC(=O)c1ccc(CC2CCCCC2)n1Cc1ccc(F)cc1 226024359 XXULUIGGIMMVKA-UHFFFAOYSA-N 329.415 4.585 0 40 EJAB Fc1cccc(C[n+]2cccc(-c3nc4cc(Cl)ccc4o3)c2)c1 226308260 MFKYCOKWLNMAJX-UHFFFAOYSA-N 339.777 4.623 0 40 EJAB O=C(Cc1c(F)cccc1Cl)NCc1ccc(-c2ccsc2)o1 575611887 ZRVSAXMGIYEWMX-UHFFFAOYSA-N 349.814 4.660 0 40 EJAB Fc1cccc(OCCN2CCCC2)c1Oc1ccc(Cl)cc1 585265581 TWWQAYBBPMQBBU-UHFFFAOYSA-N 335.806 4.746 0 40 EJAB CC(C)(C)C[C@H]1CCN(C(=O)c2ccnn2C2CCCC2)C1(C)C 622709963 RUQVCLADOCRGPV-OAHLLOKOSA-N 331.504 4.675 0 40 EJAB Cc1ccn2c(NCc3ccccc3)c(-c3ccc(O)cc3)nc2c1 320741 FONZANKWJQSKGR-UHFFFAOYSA-N 329.403 4.627 0 40 EJAB CCc1cc2ccccc2nc1SCC(=O)Nc1ccccc1C 413299 ZWQBZZQHOBTJNC-UHFFFAOYSA-N 336.460 4.836 0 40 EJAB O=C(c1ccc(CN2CC=CC2)cc1)c1ccc(Cl)c(Cl)c1 2514920 LZWBVIQGFJBZSV-UHFFFAOYSA-N 332.230 4.596 0 40 EJAB FC(F)Sc1ccc(NC(=S)N2CCCCCCC2)cc1 3334762 HMBPCTADERUJGI-UHFFFAOYSA-N 330.469 4.964 0 40 EJAB c1ccn2c(Nc3ccc4c(c3)OCCO4)c(-c3ccsc3)nc2c1 4126264 PBWWOBIXIOHAAG-UHFFFAOYSA-N 349.415 4.578 0 40 EJAB Fc1ccc(C2=Nc3ccc(Cl)cc3C(c3ccccc3)=NN2)cc1 4129727 JTBZNWNADOSRQF-UHFFFAOYSA-N 349.796 4.913 0 40 EJAB CSc1ccc(-c2csc(NC(=O)c3ccccc3)n2)cc1 11422537 VWOKBHHPQXMCJC-UHFFFAOYSA-N 326.446 4.784 0 40 EJAB Cc1ccc(Oc2ccc(-c3nc(C)c(C(=O)O)s3)cc2)cc1 11896584 GVHFTHPYTODGIW-UHFFFAOYSA-N 325.389 4.917 0 40 EJAB CCCCNC(=O)OC[C@]12CO[C@@H](CCC)[C@H](C(C)=C[C@@H]1C)[C@H]2C 12655184 FGCOUMUUNRBVMZ-NMDDUFOESA-N 337.504 4.546 0 40 EJAB Cc1ccc(Nc2ncnc3c2cnn3-c2ccc(C)c(Cl)c2)cc1 17042523 NYDOBIDACUQLHV-UHFFFAOYSA-N 349.825 4.829 0 40 EJAB COc1ccc([C@H](CC(C)C)NC(=O)Cc2ccc(C)c(C)c2)cc1 20491289 NPFDXBVSJSUWJP-NRFANRHFSA-N 339.479 4.758 0 40 EJAB Fc1cccc(-c2nc(CN3CCC[C@@H]3Cc3ccccc3)co2)c1 28965821 MDRMNZARSCEVMR-HXUWFJFHSA-N 336.410 4.688 0 40 EJAB C[C@@H]1c2cccn2CCN1C(=O)c1sc2ccccc2c1Cl 29379368 YTVWTMWWPBWRGK-LLVKDONJSA-N 330.840 4.573 0 40 EJAB COc1ccccc1Nc1c(-c2ccccc2O)nc2ccc(C)cn12 35616014 XVMIUXFHECHEOA-UHFFFAOYSA-N 345.402 4.768 0 40 EJAB Nc1onc(-c2ccc(Br)s2)c1-c1ccc(F)cc1 37350377 BXXLZSMGVCTZJJ-UHFFFAOYSA-N 339.189 4.554 0 40 EJAB in-vitro C[C@H](NC(=O)/C(=C/c1ccco1)c1ccccc1)c1ccc(F)cc1 38756431 CCRVRUYKSYJERG-AUQXIXNCSA-N 335.378 4.837 0 40 EJAB COc1cc2c(cc1NC(=O)c1scnc1C)oc1ccccc12 40139070 HCOMQOIYNFUYNE-UHFFFAOYSA-N 338.388 4.612 0 40 EJAB CCc1ccc(NC(=O)Nc2ccc(Br)cc2C)cc1 44844874 YPERERMUSSDKDT-UHFFFAOYSA-N 333.229 4.964 0 40 EJAB CC(=O)Nc1ccc(OCc2csc(C3CCCCC3)n2)cc1 47348815 AUMNMOGDYDMRRY-UHFFFAOYSA-N 330.453 4.728 0 40 EJAB CC(=O)c1c(C)cc(C)c(CNc2ccccc2-n2cccn2)c1C 58394197 MWQYFKVOLOIKTO-UHFFFAOYSA-N 333.435 4.612 0 40 EJAB C[C@@H]1c2ccsc2CCN1C(=O)c1[nH]c2ccccc2c1Cl 58417750 GAUSDBHGAPJQJR-SNVBAGLBSA-N 330.840 4.642 0 40 EJAB CC(C)(C)c1ccc(NC(=O)c2csc(-c3cccnc3)n2)cc1 62635582 CGTGEVMMBCRBEB-UHFFFAOYSA-N 337.448 4.755 0 40 EJAB Brc1cncc(-c2nc3c(ccc4ccccc43)o2)c1 73638612 MPXQVYPSDKSBPW-UHFFFAOYSA-N 325.165 4.806 0 40 EJAB CCc1ccc(O[C@H](CC)C(=O)N[C@@H](C)c2ccc(C)cc2)cc1 113968959 HJZMQFMTLXFFSP-OXJNMPFZSA-N 325.452 4.592 0 40 EJAB COC(=O)c1cc(Cl)c(Cl)c(-c2cc3ccccc3oc2=O)c1 216937206 QCTJUPFAEUEWTD-UHFFFAOYSA-N 349.169 4.553 0 40 EJAB O=C(CCc1ccccc1Cl)NCCCc1ccc(Cl)cc1 220014906 VNCXXMHUAOWJOC-UHFFFAOYSA-N 336.262 4.675 0 40 EJAB CC[C@H](NC(=O)Cc1ccc(F)cc1)c1ccc2c(c1)CCCC2 223132415 PEDGXEVOWWOBNX-FQEVSTJZSA-N 325.427 4.515 0 40 EJAB Cc1cccc(CSCCNC(=O)c2ccc3c(c2)CCCC3)c1 225627243 NKPHRQSALLYVAQ-UHFFFAOYSA-N 339.504 4.537 0 40 EJAB C[C@H]1CCCCN1c1ccc(N)cc1NC(=O)c1cccc(Cl)c1 226254788 NHJYUBJFMLJNGR-ZDUSSCGKSA-N 343.858 4.553 0 40 EJAB CCOc1ccc(/C=C/C(=O)Nc2ccc(C)c(C)c2)cc1OCC 147405 RRFBBKLOTWSYNO-FMIVXFBMSA-N 339.435 4.753 0 40 EJAB O=C1Nc2ccccc2/C1=C/c1ccc(OCc2cccc(F)c2)cc1 574848 VMCKXVNPIXHAEF-MOSHPQCFSA-N 345.373 4.897 0 40 EJAB CCCCc1ccc(Nc2nc(C)cc(-n3nc(C)cc3C)n2)cc1 2452569 LFBNJWTUEKHVMB-UHFFFAOYSA-N 335.455 4.674 0 40 EJAB O=C(Cc1ccccc1F)Nc1ccc(Cl)c(C(F)(F)F)c1 3615144 PKSZUUNFHAHFGM-UHFFFAOYSA-N 331.696 4.679 0 40 EJAB O=C(CSc1ccccc1)Nc1nc(-c2cccs2)cs1 4496630 CAKFTVOORWLNSM-UHFFFAOYSA-N 332.475 4.602 0 40 EJAB Cc1cc2c(s1)[C@H]1CCCC[C@@H]1O[C@@H]2c1ccc2c(c1)OCO2 4512276 KCUMDOBAIIFHQY-DHSIGJKJSA-N 328.433 4.931 0 40 EJAB Cc1nn(-c2ccccc2)c2c1C(=O)C[C@H](c1cccc(Cl)c1)C2 5451470 PIHJKUQXZJMLQP-OAHLLOKOSA-N 336.822 4.747 0 40 EJAB O=C(Nc1ccccc1)c1cn(-c2ccccc2)nc1-c1ccccc1 5558211 RBSGMSPPHGRRJO-UHFFFAOYSA-N 339.398 4.792 0 40 EJAB Cc1nnc(-c2cccs2)c2cn(-c3ccc(Cl)cc3)nc12 6188472 NCHCMCUYIPNXEM-UHFFFAOYSA-N 326.812 4.506 0 40 EJAB Cc1ccc2nc(NC(=O)c3ccccc3C(F)(F)F)sc2c1 6232187 KJRFSCXFILPAQG-UHFFFAOYSA-N 336.338 4.876 0 40 EJAB Cc1ccc(COc2ccccc2C(=S)N2CCCCC2)cc1 6845265 RXSLURCAPVSWQM-UHFFFAOYSA-N 325.477 4.735 0 40 EJAB CC(=O)c1cccc(NCC(=O)Nc2ccccc2-c2ccccc2)c1 7972440 KKGKERFFDFYUBY-UHFFFAOYSA-N 344.414 4.607 0 40 EJAB CCc1ccc(NC(=O)c2ccc(COc3ccc(C)cc3)o2)cc1 8086752 DCTMFKOEVDKNOU-UHFFFAOYSA-N 335.403 4.982 0 40 EJAB CC(C)c1ccccc1OCC(=O)N[C@H](C)c1cc2ccccc2o1 8239137 AAKOMNUVQXEKMC-OAHLLOKOSA-N 337.419 4.812 0 40 EJAB CC1CCN(c2ccc(NC(=O)c3cccs3)cc2Cl)CC1 9064393 AVTNJDXTWCLLHY-UHFFFAOYSA-N 334.872 4.890 0 40 EJAB O=C(N[C@H]1CCSc2ccc(F)cc21)c1cc(Cl)ccc1F 12947481 XGHWKTIFWOTFSF-AWEZNQCLSA-N 339.794 4.585 0 40 EJAB CC(C)(Cc1ccccc1)N1CCO[C@H](c2cccc(Cl)c2)C1 14982449 WVZRWNPPXYLQBI-IBGZPJMESA-N 329.871 4.735 0 40 EJAB COc1c(C)cccc1CN[C@H](Cc1cccs1)c1nccs1 19236023 IEQWUFKFQKOPMM-MRXNPFEDSA-N 344.505 4.595 0 40 EJAB COc1ccc(CN[C@@H](Cc2ccsc2)c2nc(C)cs2)cc1 19240229 KWRPUZQFLVRAOT-KRWDZBQOSA-N 344.505 4.595 0 40 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EJAB Cc1cccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@@H]3[C@H]4CC[C@@H](C4)[C@H]23)c1 245380845 PFBQDCGPGMFALE-UAADMILHSA-N 333.431 4.990 0 40 EJAB CCCOc1ccc(C(=O)Nc2ccc(F)c(C)c2)cc1OCC 302767714 QJKXJBSQDTWSQT-UHFFFAOYSA-N 331.387 4.574 0 40 EJAB CCc1s/c(=N\C(=O)c2cccs2)n(CC)c1-c1ccccc1 408562234 OGSKRBVQCPXKTQ-HNENSFHCSA-N 342.489 4.602 0 40 EJAB O=C(Nc1cccnc1)c1ccc(COc2ccc3ccccc3c2)o1 115649 SUMJTXIKMNQJFE-UHFFFAOYSA-N 344.370 4.659 0 40 EJAB CCOc1ccc(NC(=O)COc2ccc([C@@H](C)CC)cc2)cc1 505793 VLRAVJGMTOGAKM-HNNXBMFYSA-N 327.424 4.616 0 40 EJAB CCCCn1c(SCC)nc2sc3c(c2c1=O)CCCCC3 2281455 XXLOHEFDLDEGRV-UHFFFAOYSA-N 336.526 4.639 0 40 EJAB c1ccc(NCc2nc3ccccc3n2CCOc2ccccc2)cc1 2441420 RRWNGHNOEYOFFB-UHFFFAOYSA-N 343.430 4.727 0 40 EJAB C[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2cccc(Cl)c2)N3)C1 2492894 UETJGRSSEKWJRT-PSLIRLAXSA-N 332.856 4.955 0 40 EJAB C[C@H]1CCc2nc3ccccc3c(C(=O)Nc3ccccc3F)c2C1 2632315 DSNQZIDDOFBCMF-ZDUSSCGKSA-N 334.394 4.751 0 40 EJAB CCCCNC(=O)OC[C@@]12CO[C@@H](CCC)[C@@H](C(C)=C[C@@H]1C)[C@H]2C 4025457 FGCOUMUUNRBVMZ-STEXWYFWSA-N 337.504 4.546 0 40 EJAB biogenic COc1ccc([C@H]2N=C(O)c3c(-c4ccccc4)csc3N2)cc1 4571755 GKUNFYCWCFZHKB-KRWDZBQOSA-N 336.416 4.853 0 40 EJAB CCCCOc1ccc(NC(=O)c2cc3sccc3n2C)cc1 4971134 XEWAYXNWRMCSGI-UHFFFAOYSA-N 328.437 4.671 0 40 EJAB Nc1nnc(S[C@H](c2ccccc2)c2ccc(Cl)cc2)s1 5636603 OORWCVAUGNKOEZ-CYBMUJFWSA-N 333.869 4.655 0 40 EJAB CCc1c(C)sc2[nH]c(=S)n(-c3cc(C)ccc3C)c(=O)c12 6566819 OLNYWVFZNYCDMW-UHFFFAOYSA-N 330.478 4.597 0 40 EJAB O=C(NCc1cccc(Cl)c1)C(c1ccccc1)c1ccccc1 6946642 UMCUBQLFWLKYQP-UHFFFAOYSA-N 335.834 4.788 0 40 EJAB S=c1oc(-c2ccccc2)nn1CN1CCC[C@@H]1c1cccs1 7143392 KQJUQPXPORJHCR-CQSZACIVSA-N 343.477 4.729 0 40 EJAB S=c1[nH]nc(-c2ccccc2)n1NC/C=C/c1ccc(Cl)cc1 7602373 JJSDIVIIOTXYEL-SNAWJCMRSA-N 342.855 4.518 0 40 EJAB CCCCOc1ccc(C(=O)Nc2cccc(OC)c2)cc1OCC 7986875 UNDBIKGWCQBSGN-UHFFFAOYSA-N 343.423 4.525 0 40 EJAB O=C1CCCN1c1ccc(-c2csc(-c3ccsc3)n2)cc1 8102900 UCFXJFBTZVLNLB-UHFFFAOYSA-N 326.446 4.665 0 40 EJAB COc1cc(CNC(C)C)cc(Cl)c1OCc1ccccc1F 10436014 AXQSEMKKQHUYAF-UHFFFAOYSA-N 337.822 4.565 0 40 EJAB CCc1ccc(-c2nc(C(=O)N(C)Cc3ccccc3)cs2)cc1 12783151 YUGZRBMHDPVHPV-UHFFFAOYSA-N 336.460 4.645 0 40 EJAB COc1cc(SC)ccc1C(=O)N[C@@H](C)c1cc2ccccc2o1 12974828 OQDFPVRJDKFFRU-LBPRGKRZSA-N 341.432 4.654 0 40 EJAB CCOc1ccc([C@@H](C)NC(=O)[C@@H](C)Sc2ccc(C)cc2)cc1 20490649 ZULHDHMSHASOAX-HZPDHXFCSA-N 343.492 4.752 0 40 EJAB CN(CCC(=O)Nc1cc(Cl)ccc1Cl)C1CCCCC1 22197560 REBGJNICRNGQDK-UHFFFAOYSA-N 329.271 4.587 0 40 EJAB CN[C@@H]1C(c2ccc(C)cc2)=NN(c2ccccc2)[C@H]1c1ccccc1 31638250 HDSOFYVWMRYEQH-PKTZIBPZSA-N 341.458 4.549 0 40 EJAB O=C(Nc1ccc2oc(C3CC3)nc2c1)c1cccc(OC(F)F)c1 33213850 ODWXUSRQHMTCPS-UHFFFAOYSA-N 344.317 4.559 0 40 EJAB CC[C@@H](C)c1ccc(OCCCn2c(C=O)nc3ccccc32)cc1 41058291 QDPSLKOBDQHBCA-MRXNPFEDSA-N 336.435 4.831 0 40 EJAB Cc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3C)n[nH]2)cc1 44837787 GHPLQJBTFFDZNC-UHFFFAOYSA-N 325.799 4.599 0 40 EJAB CN(C(=O)c1cc(-c2ccncc2)nc2ccccc12)C1CCCCC1 70715837 MOALSTXSGICZJP-UHFFFAOYSA-N 345.446 4.702 0 40 EJAB c1ccc(CN2CCCC[C@@H]2c2cccnc2N2CCCCC2)cc1 72216128 TXJVYQRUGVRPAO-OAQYLSRUSA-N 335.495 4.799 0 40 EJAB CC(C)(C)Sc1ccc([C@@H]2CCCN2C(=O)c2ccccc2)cn1 72217368 CKDNNAIGGDPQBG-KRWDZBQOSA-N 340.492 4.950 0 40 EJAB CCN(c1ccccc1)S(=O)(=O)c1cc(C)c(Cl)cc1Cl 72414356 VLWASFDTESOFMZ-UHFFFAOYSA-N 344.263 4.517 0 40 EJAB O=C(Nc1nc(-c2cccs2)cs1)c1cccc(F)c1Cl 80159334 IRQKPMXJGWNULM-UHFFFAOYSA-N 338.816 4.916 0 40 EJAB COCCn1c(-c2ccccc2)cs/c1=N/c1ccc(Cl)cc1 100950097 OYIVGDXHDBUKHV-CZIZESTLSA-N 344.867 4.749 0 40 EJAB C[C@H](NC(=O)C(c1ccccc1)c1ccccc1)[C@H]1C[C@@H]2CC[C@@H]1C2 101393680 XBIOQKJAUYGCAY-XWDORNJCSA-N 333.475 4.759 0 40 EJAB Cc1ccccc1/C=C1\SC(=O)N(Cc2ccc(Cl)cc2)C1=O 106686638 RGMOZRLAFKIUDC-YBEGLDIGSA-N 343.835 4.885 0 40 EJAB Cc1cc(C(=O)CCC(=O)N2CC[C@H](C)[C@H]3CCCC[C@H]32)c(C)s1 108066006 XHWVWRFMZHGMHN-FDQGKXFDSA-N 347.524 4.755 0 40 EJAB CSc1ccccc1NC(=O)C1CCN(c2ccc(C)cc2)CC1 219856929 PTMATOVAQAKKCR-UHFFFAOYSA-N 340.492 4.572 0 40 EJAB CCCO[C@@](C)(C(=O)Nc1ccc(O[C@@H](C)CC)c(C)c1)C1CC1 225673541 WKVIPSOZPWCXHQ-MGPUTAFESA-N 333.472 4.706 0 40 EJAB CCOc1ccc(S(=O)(=O)Nc2c(C)cccc2C(C)C)cc1C 408551778 IXOZJLODZIBHKZ-UHFFFAOYSA-N 347.480 4.626 0 40 EJAB Cc1ccccc1-c1cc(NC(=O)[C@@H]2C[C@@H]2C)n(Cc2ccccc2)n1 1528230342 ZQQBBOFZRQIMLT-QFBILLFUSA-N 345.446 4.501 0 40 EJAB O=C(Oc1ccc2c(Br)cccc2c1)c1ccccc1 383750 PNECGAQSBNVSBN-UHFFFAOYSA-N 327.177 4.822 0 40 EJAB O=C(CN1CCCCC1)Nc1cc(Cl)ccc1Oc1ccccc1 2629064 IBHOWEJCMULNCA-UHFFFAOYSA-N 344.842 4.557 0 40 EJAB CCOc1ccc(CC(=O)Nc2ccc(SC(F)F)cc2)cc1 2632242 VLFMIFDRUGPSEZ-UHFFFAOYSA-N 337.391 4.581 0 40 EJAB C[C@@H]1CCc2[nH]c3ccc(C(=O)N(C)Cc4cccs4)cc3c2C1 3351257 JIIAJWXEGZUDNK-CYBMUJFWSA-N 338.476 4.626 0 40 EJAB Cc1ccccc1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 5598848 KQGPNYJGQJPNEA-UHFFFAOYSA-N 339.416 4.588 0 40 EJAB C[C@@H](NC(=O)CSc1c(Cl)cccc1Cl)c1ccccc1 6000461 UOHQUXLCYYJXAD-LLVKDONJSA-N 340.275 4.963 0 40 EJAB Cc1ccc(-n2c(S)nnc2-c2ccc(Cl)cc2)cc1Cl 6184743 MYPJJOVWGAJQGI-UHFFFAOYSA-N 336.247 4.838 0 40 EJAB Cc1ccccc1COC(=O)c1ncc(Cl)c(Cl)c1Cl 7778175 BNXOUGXQCIAHTR-UHFFFAOYSA-N 330.598 4.707 0 40 EJAB C[C@@H](NC(=O)COc1cccc2ccccc12)c1cc2ccccc2o1 8156417 CIHLLHBTEHOEDG-OAHLLOKOSA-N 345.398 4.842 0 40 EJAB CC(C)N(Cc1ccccc1)C(=O)COc1cccc2ccccc12 8328603 VOYQMTZVAMHRGD-UHFFFAOYSA-N 333.431 4.656 0 40 EJAB Cc1ccsc1C(=O)Nc1nc(-c2ccc3c(c2)CCC3)cs1 10551253 ZXJNVYJPGIKKOM-UHFFFAOYSA-N 340.473 4.921 0 40 EJAB CCc1cccc(CC)c1NC(=O)[C@H](C)Oc1cc(C)ccc1C 13710591 BLZQOSSLUFZVNJ-INIZCTEOSA-N 325.452 4.834 0 40 EJAB CCn1c(Cc2cccs2)nnc1SCc1ccc(C)cc1 14112936 GKZFZESUFOECFV-UHFFFAOYSA-N 329.494 4.551 0 40 EJAB Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2SC(F)F)cc1 14603160 RKQIFZMCRDMGFZ-GFCCVEGCSA-N 337.391 4.716 0 40 EJAB COc1ccccc1NC1=NN=C(c2ccc3ccccc3c2)CS1 15405253 QGMWBOMSYYYGHA-UHFFFAOYSA-N 347.443 4.767 0 40 EJAB Cc1cc(C)cc(Nc2ncnc3c2cnn3-c2ccc(C)c(C)c2)c1 17120432 AYRPVFMJPPDTMZ-UHFFFAOYSA-N 343.434 4.793 0 40 EJAB Clc1cccc(Cl)c1CNC1CCN(Cc2ccccc2)CC1 20477316 VKNSWCBHBWLFSV-UHFFFAOYSA-N 349.305 4.748 0 40 EJAB C[C@@H]1c2ccsc2CCN1C(=O)c1cccc(C(F)(F)F)c1 21638373 RQRFCYXTKJDQLA-SNVBAGLBSA-N 325.355 4.526 0 40 EJAB O=C(NCCc1c[nH]c2ccccc12)c1ccc(-c2ccccc2)s1 28582884 XTABYPHLLAETRJ-UHFFFAOYSA-N 346.455 4.869 0 40 EJAB Cc1cccc(C(C)C)c1NC(=O)c1ccc(Cn2ccnc2)cc1 38860001 UFFFPVPFPRTEEO-UHFFFAOYSA-N 333.435 4.616 0 40 EJAB CC(C)(C)OC(=O)N1CCC[C@@H]1CSc1ccc(Cl)cc1 72411084 OSGMGZNGNHXSFS-CYBMUJFWSA-N 327.877 4.832 0 40 EJAB CC[C@@H](CSC(F)(F)F)NCc1cccc(C(F)(F)F)c1 95918395 OVMJRQFDHJDOEF-NSHDSACASA-N 331.325 4.827 0 40 EJAB O=c1[nH]c2c(s1)[C@H](c1ccc(Cl)cc1)[C@@H]1[C@@H](S2)[C@@H]2CC[C@@H]1C2 100860013 ATOKCVQCCLMGBV-HECBCWNYSA-N 349.908 4.742 0 40 EJAB CC1(C)CC2=Nc3ncnn3[C@@H](c3cccc4ccccc34)C2=C(O)C1 102857970 NOGGORNQBOKFEN-IBGZPJMESA-N 344.418 4.739 0 40 EJAB O=C(O)c1ccc2nc(-c3cccc(Oc4ccccc4)c3)[nH]c2c1 164810770 QMRFDGJWJOQKCO-UHFFFAOYSA-N 330.343 4.720 0 40 EJAB Cc1ccc(Cc2sc(NC(=O)Cc3ccsc3)nc2C)cc1 195698345 OUNRTJZCGGOXGO-UHFFFAOYSA-N 342.489 4.593 0 40 EJAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCCSC(C)(C)C)c1 223209017 NWDPUUMFSXFIMV-OAHLLOKOSA-N 337.529 4.534 0 40 EJAB O=C(Cc1ccc(Cl)cc1F)NCc1ccc(Cl)cc1Cl 225149115 XNHXQXYVVMAYPY-UHFFFAOYSA-N 346.616 4.645 0 40 EJAB CCCO[C@]1(C(=O)Nc2ccc(OCC)c(C)c2)CCC[C@H](C)C1 225664975 IIFPFURGSKSKGG-MGPUTAFESA-N 333.472 4.708 0 40 EJAB CCCO[C@](C)(CCC)C(=O)Nc1ccc(OC2CCCC2)cc1 225737782 CUAFRTRTOVWSAM-HXUWFJFHSA-N 333.472 4.932 0 40 EJAB CC(C)c1ccc(/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)cc1 210403 BZJWNIAIJCGEFH-AQTBWJFISA-N 342.508 4.543 0 40 EJAB CCN(CC)CCCNc1c2c(nc3cc(Cl)ccc13)CCCC2 1689836 OCKVNKHMFZLQSS-UHFFFAOYSA-N 345.918 4.911 0 40 EJAB CC1(C)COC(CCCC(=O)c2cc(Cl)cc(Cl)c2)OC1 2518150 IKKMTDYISASJHY-UHFFFAOYSA-N 331.239 4.746 0 40 EJAB O=C(c1ccccc1OCc1ccccc1)[C@H]1O[C@@H]1c1ccc(F)cc1 2575352 GOENYUXCFIBHMA-FGZHOGPDSA-N 348.373 4.728 0 40 EJAB O=C(Nc1cccc(C(F)(F)F)c1)c1cnc(Cl)c(Cl)c1 6153091 PUBALRIARMTQHH-UHFFFAOYSA-N 335.112 4.660 0 40 EJAB Cc1ccc(NC(=O)Nc2c(-c3ccccc3)nc3ccccn23)cc1 6652364 HMCZAOLHKQCLQL-UHFFFAOYSA-N 342.402 4.954 0 40 EJAB CCc1ccc(-c2noc(CSc3ncnc4ccccc34)n2)cc1 6991370 BPNRUURFNYMXBX-UHFFFAOYSA-N 348.431 4.535 0 40 EJAB c1csc(-c2noc(CSc3nc4ccccc4s3)n2)c1 7164172 KKLGOVVYNDFZTH-UHFFFAOYSA-N 331.447 4.700 0 40 EJAB S=C(NCc1ccccc1)N(Cc1ccccc1)c1ccccc1 7584176 GZQQNHBKZRFZDW-UHFFFAOYSA-N 332.472 4.768 0 40 EJAB Cc1ccc(C(=O)N(C(=O)N2CCCCC2)c2ccccc2)cc1C 9317724 YAYVFLFWFIMCRU-UHFFFAOYSA-N 336.435 4.556 0 40 EJAB Cc1cc(C)cc(-n2nc(C)c3c2N=C(O)C[C@H]3c2ccsc2)c1 9486614 CUUFTVGENPAALK-INIZCTEOSA-N 337.448 4.983 0 40 EJAB CC[C@@H](NC(=O)Nc1ccccc1)c1ccc(Br)cc1 9602546 PHHQNQUCRAQKIF-OAHLLOKOSA-N 333.229 4.722 0 40 EJAB COCc1cccc(C(=O)Nc2cccc(Oc3ccccc3)c2)c1 12779451 ILHQPUHNSWTBRR-UHFFFAOYSA-N 333.387 4.878 0 40 EJAB CCOc1cccc(CNC(=O)/C=C/c2ccc(C(C)(C)C)cc2)c1 20112604 PYSDBGZWQYIHED-SDNWHVSQSA-N 337.463 4.712 0 40 EJAB Cc1cccc(Nc2nn(-c3ccc(F)cc3)c3c2C(=O)CCC3)c1C 20672152 IBRRWFDUGFJBOC-UHFFFAOYSA-N 349.409 4.891 0 40 EJAB Cc1ccc(CCC2CCN(C(=O)c3ccc(Cl)nc3)CC2)cc1 22068527 PMQZSYXDDCUCEA-UHFFFAOYSA-N 342.870 4.528 0 40 EJAB O=C(Cc1coc2ccc3ccccc3c12)Nc1cccc2cn[nH]c12 29384654 PHNMHJUDMGMLIU-UHFFFAOYSA-N 341.370 4.644 0 40 EJAB CSc1ccccc1NC(=O)[C@@H](C)N(C)Cc1cccc(Cl)c1 36832565 VDNKSSIMYLDZQL-CYBMUJFWSA-N 348.899 4.521 0 40 EJAB Cc1ccc(CC(=O)N[C@@H](c2ccccc2)c2ccccc2C)cc1 38755722 ZEXHARCNVSZSIP-QHCPKHFHSA-N 329.443 4.752 0 40 EJAB Cc1cccc(-c2nn3c(N4C[C@@H](C)C[C@@H](C)C4)cc(C)nc3c2C)c1 40216804 IADMJONHLAAKAZ-IYBDPMFKSA-N 348.494 4.804 0 40 EJAB C[C@H](Sc1nnc(C(C)(C)C)o1)C(=O)C12CC3CC(CC(C3)C1)C2 42570034 JLOKYDZZFOOTQO-NZWMYCLXSA-N 348.512 4.633 0 40 EJAB O=C(Nc1cccc(OC(F)(F)F)c1)c1c(F)cccc1Cl 48332868 FPBLZXSHJLYMAA-UHFFFAOYSA-N 333.668 4.630 0 40 EJAB Cc1ccc(CC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)s1 57045241 YJDQXMYHBMXYCB-OAHLLOKOSA-N 342.489 4.572 0 40 EJAB c1ccc(N2N=C(c3ccc4c(c3)OCO4)C[C@@H]2c2cccs2)cc1 59203710 XXACOZPEPDKFDE-QGZVFWFLSA-N 348.427 4.833 0 40 EJAB Cc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)c(C)c1 59351643 OSOVGVSUEQFVOB-JKSUJKDBSA-N 345.870 4.910 0 40 EJAB C[C@H](c1cc2ccccc2o1)N(C)C(=O)Nc1ccc2c(c1)COC2 92167099 HSLXHJVGONSGBI-CYBMUJFWSA-N 336.391 4.688 0 40 EJAB Cc1ccc(CN2CCC3(CC2)CCN(Cc2cccs2)CC3)o1 96047188 GGTTXXXXUIDOPS-UHFFFAOYSA-N 344.524 4.528 0 40 EJAB Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)cc1Cl 96586391 XPNZFYPFIQRBGL-CQSZACIVSA-N 343.854 4.933 0 40 EJAB C[C@@](O)(CNc1ccc2[nH]ccc2c1)c1cccc(C(F)(F)F)c1 97001930 OQKHAOKVVHXROQ-QGZVFWFLSA-N 334.341 4.506 0 40 EJAB O=C(Nc1ccccc1)O[C@H]1[C@@H]2CCC[C@@H]1[C@H](N1CCCCC1)CC2 100400214 LURDPRCEUSFKGO-AFYVEPGGSA-N 342.483 4.668 0 40 EJAB CCCOc1ccc(C(=O)NCCCc2ccc(C(C)C)cc2)cc1 218983602 XWLUAXHLTZZFFW-UHFFFAOYSA-N 339.479 4.961 0 40 EJAB CCc1ccc(O[C@H](CC)C(=O)Nc2cccc(OC(C)C)c2)cc1 222887046 XWPDEUNFLTZXTC-HXUWFJFHSA-N 341.451 4.832 0 40 EJAB CCc1ccc(O[C@@H](CC)C(=O)N[C@H](C)CCc2ccccc2)cc1 222889145 CWPBAZKBOILSHF-UTKZUKDTSA-N 339.479 4.544 0 40 EJAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCCCc1cccc(C)c1 222994658 GYTQSYZSQVCEKF-OAQYLSRUSA-N 339.479 4.518 0 40 EJAB CCCOCc1cc(C(=O)Nc2ccccc2Cl)ccc1OC 224412879 ZQWMLXBXUPURMC-UHFFFAOYSA-N 333.815 4.528 0 40 EJAB Cc1cc(O[C@H](Cc2ccc(C)c(Cl)c2)C(=O)O)ccc1Cl 225080008 DZKFEBOFNLEXFB-MRXNPFEDSA-N 339.218 4.685 0 40 EJAB CCOc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)c(C)n1 225865268 OBPFMASUJOLDTN-UHFFFAOYSA-N 338.451 4.629 0 40 EJAB CC(C)c1ccc([C@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)cc1 260781515 SWAVXGWNCSWPMS-CCKFTAQKSA-N 337.492 4.794 0 40 EJAB COc1ccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1C 409125601 DEYWGKCRMUFTBE-GZTJUZNOSA-N 345.464 4.620 0 40 EJAB Cc1ccc(NC(=O)N(C2=NC[C@@H](C)S2)c2ccc(C)cc2)cc1 135401 FPTDJZLMDXYEHJ-OAHLLOKOSA-N 339.464 4.833 0 40 EJAB O=C1N(c2cccc(Cl)c2)[C@H](c2ccccc2Cl)N2CCCN12 553191 OYIOHAUJASFAKT-MRXNPFEDSA-N 348.233 4.555 0 40 EJAB CCCC(CCC)C(=O)Nc1ccc(NC(=O)c2ccco2)c(C)c1 802351 RRGMBRTYQKTIMF-UHFFFAOYSA-N 342.439 4.995 0 40 EJAB CCc1cc(=O)oc2c(C)c3c(cc12)CN(c1cccc(C)c1C)CO3 2118758 ASTSUUAYYJQZEY-UHFFFAOYSA-N 349.430 4.637 0 40 EJAB biogenic CCSc1nnc(-c2cccc(OC)c2)n1-c1ccc(Cl)cc1 3496360 XQLJGYRYSSIEDT-UHFFFAOYSA-N 345.855 4.708 0 40 EJAB COc1ccc(Cl)cc1C(=O)NCc1ccc(Cl)cc1Cl 3602980 UHRKEZGTNXWBRI-UHFFFAOYSA-N 344.625 4.585 0 40 EJAB CCCCCC1CCC(c2ccc(-n3c(C)n[nH]c3=O)cc2)CC1 4037265 BHSXCJRFXYACGP-UHFFFAOYSA-N 327.472 4.723 0 40 EJAB C[C@H](CN1[C@H](C)CCC[C@H]1C)OC(=O)c1ccc(Cl)cc1Cl 4664858 ZJSORPWYRKFLDQ-JHJVBQTASA-N 344.282 4.802 0 40 EJAB Cc1cc2ccccc2n1CC(=O)Nc1ccc(Cl)cc1Cl 6266424 ARCZNCIVBCYTKN-UHFFFAOYSA-N 333.218 4.895 0 40 EJAB O=C(Nc1cc(Cl)ccc1Cl)c1ccc(OC(F)F)cc1 6560649 ZAEVIONAVAZZPX-UHFFFAOYSA-N 332.133 4.847 0 40 EJAB O=C(Oc1ccc2cc(Br)ccc2c1)c1cccc(F)c1 6566601 GVKAISCYRDQJEH-UHFFFAOYSA-N 345.167 4.961 0 40 EJAB CCOc1ccc(C2=NNC(c3cccs3)=Nc3ccccc32)cc1 6600860 JYZXOMQUMQSCMO-UHFFFAOYSA-N 347.443 4.581 0 40 EJAB Cc1occc1-c1nnc(S[C@@H](C)C(=O)c2ccc(Cl)cc2)o1 7426904 YXZVFAYEUCYNOE-JTQLQIEISA-N 348.811 4.655 0 40 EJAB CCc1ccc(NC(=S)N[C@H](CC)c2ccc(OC)cc2)cc1 8085594 XXLOVXMMJKBNMY-GOSISDBHSA-N 328.481 4.695 0 40 EJAB COc1ccc(OC)c(C(=O)Nc2ccccc2-c2ccccc2)c1 9314559 MYCOJUFVUGTRGL-UHFFFAOYSA-N 333.387 4.623 0 40 EJAB Cc1cc(-c2csc(N3CCCCC3)n2)c(C)n1Cc1ccco1 12681767 GYNNDSJNBLSJEK-UHFFFAOYSA-N 341.480 4.860 0 40 EJAB C/C=C/c1cc(C(=O)N(C)[C@H](C)c2ccccc2)cc(OC)c1OC 12765251 PGYMTHGPQCVBTC-WCLQSUPFSA-N 339.435 4.570 0 40 EJAB CC[C@@H](C)NC(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1 12918215 AXBIWEJLRJTPRP-CYBMUJFWSA-N 338.382 4.676 0 40 EJAB Cc1cc(C)cc(-c2nc3cc(NC(=O)c4ccco4)ccc3o2)c1 14258053 VSQVEQSIBIIQQT-UHFFFAOYSA-N 332.359 4.957 0 40 EJAB COc1cc(Cl)cc2c1OC=CC(C(=O)Nc1ccccc1C)=C2 15838660 WAYBJINJONSHSA-UHFFFAOYSA-N 341.794 4.585 0 40 EJAB O=C(NCCCCOc1ccc(Cl)cc1)c1ccc(Cl)s1 21964722 CJGDZGSCJATZJL-UHFFFAOYSA-N 344.263 4.644 0 40 EJAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)OCO2 30756917 BTWHVDOHBOHDKM-INIZCTEOSA-N 349.839 4.578 0 40 EJAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)NCCc1cccc(F)c1 32779708 RHTYWCPKRMHKOF-AWEZNQCLSA-N 340.398 4.517 0 40 EJAB Cc1nc(SC[C@@H](O)c2ccc(F)cc2)n(C2CCCC2)c1C 32900843 KBLPSYNPQJUKAO-QGZVFWFLSA-N 334.460 4.580 0 40 EJAB Cc1ccc2cc(C(=O)N(Cc3ccc([C@H]4C[C@@H]4C)o3)C3CC3)[nH]c2c1 48303178 FOJDDGVLACLPQJ-KSSFIOAISA-N 348.446 4.998 0 40 EJAB CCCCc1ccc([C@H](NCc2cnn(C)c2)c2cccs2)cc1 48314522 ZZWNAQIUBLVIJB-FQEVSTJZSA-N 339.508 4.703 0 40 EJAB CC(C)(C)c1nc(CN(Cc2ccsc2)c2ccccc2)no1 89725272 JCANKKISMRBHGN-UHFFFAOYSA-N 327.453 4.635 0 40 EJAB CCc1cnc(CNc2ccc(NC(=O)OC(C)(C)C)cc2C)o1 95414904 GAYQKBCNDGKZNA-UHFFFAOYSA-N 331.416 4.505 0 40 EJAB Cc1noc2c1[C@@H](c1ccccc1F)C1=C(O)CC(C)(C)CC1=N2 102734469 ONCIIIKSXGVOBH-MRXNPFEDSA-N 326.371 4.972 0 40 EJAB O=C(O)c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)cc1O 216933969 WYYSVPWQGBRBIU-UHFFFAOYSA-N 347.581 4.630 0 40 EJAB Cc1c(Cl)cccc1C[C@H](Oc1cccc2ccccc12)C(=O)O 225071867 LGSCKFSFUKCKMK-IBGZPJMESA-N 340.806 4.876 0 40 EJAB C[C@H]1CCC[C@H](C)N1C(=O)c1ccc(-c2ccc(N)cc2Cl)o1 226304714 KNQNCUPLUIRWPW-RYUDHWBXSA-N 332.831 4.585 0 40 EJAB C[C@@H](Oc1ccccc1)C(=O)NCc1cc(-c2ccsc2)cs1 1775970038 YDNIOMMXEHDZEY-CYBMUJFWSA-N 343.473 4.560 0 40 EJAB Cc1cc(C(=O)N(C2CCCCC2)C2CCCCC2)nn1C(F)F 2732305 GXGSOMCAUYWIDG-UHFFFAOYSA-N 339.430 4.694 0 40 EJAB COP(=O)(OC)Oc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 3131450 LQJXWIQPXVIPGW-UHFFFAOYSA-N 330.361 4.767 0 40 EJAB COc1cc2c(cc1NC(=O)/C=C/c1ccco1)oc1ccccc12 3567034 YWVOGKVVXQARSK-CMDGGOBGSA-N 333.343 4.840 0 40 EJAB CCCc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)no1 3908975 LFCKSWIGQJCOEA-UHFFFAOYSA-N 332.709 4.552 0 40 EJAB O=C(Nc1ccccc1)c1oc2ccccc2c1NC(=O)C1CCCC1 4162424 UCCOTGQYKSXRKE-UHFFFAOYSA-N 348.402 4.814 0 40 EJAB CCCCCNC1=N/C(=C\c2ccccc2)C(=O)N1c1ccc(C)cc1 4664715 JTTAVTJCUPGWJT-SILNSSARSA-N 347.462 4.519 0 40 EJAB O[C@@H](c1ccccc1)[C@H](c1ccccc1)c1cc(-c2ccccc2)n[nH]1 4771871 WJLBJHCLFOKJBC-PKTZIBPZSA-N 340.426 4.942 0 40 EJAB CCc1cc(CN2CCC(C)CC2)c(NC(=O)c2ccccc2)s1 5677834 NBRWTWZHYCEUKI-UHFFFAOYSA-N 342.508 4.795 0 40 EJAB O=C(NCc1ccccc1F)c1cc(-c2ccco2)nc2ccccc12 6508494 XPKUXLUZPCZUNF-UHFFFAOYSA-N 346.361 4.564 0 40 EJAB S=C(Nc1ccc(Cl)cc1)Nc1cccc(Br)c1 6896262 YQAQXCNRRUQKQU-UHFFFAOYSA-N 341.661 4.911 0 40 EJAB Clc1ccc(COc2ccccc2CNCc2ccco2)cc1 7523574 QFJHKPOYMHJIFD-UHFFFAOYSA-N 327.811 4.802 0 40 EJAB O=S(=O)(NCCC1=CCCCC1)c1ccc(C2CCCCC2)cc1 7616213 NKTLPEJAJFQKNT-UHFFFAOYSA-N 347.524 4.903 0 40 EJAB Cc1ccccc1C(=O)Nc1ccc2oc(Cc3ccccc3)nc2c1 10119988 SWVFIYKVELKQHI-UHFFFAOYSA-N 342.398 4.979 0 40 EJAB C[C@H]1Cc2ccccc2N1C(=O)CSCc1cccc(Cl)c1 10449645 FNAHLGCXFBFBNG-ZDUSSCGKSA-N 331.868 4.551 0 40 EJAB COc1ccc2c(c1)C[C@@H](OC)c1cc3c(nc1-2)-c1ccccc1CC3 13220616 YSLDCRQITADQCD-OAQYLSRUSA-N 343.426 4.766 0 40 EJAB c1ccc(-c2nc(CSc3nnc(-c4cccs4)o3)co2)cc1 14807255 CBJKGJLZBZKKLY-UHFFFAOYSA-N 341.417 4.745 0 40 EJAB Cc1c(C(=O)OCc2coc(-c3ccccc3)n2)oc2ccccc12 15087982 DLDOJCMCVZIJGM-UHFFFAOYSA-N 333.343 4.753 0 40 EJAB O=C(Nc1ccc(SC(=O)c2ccccc2)cc1)c1ccccc1 18194209 RSBWVRLEZDKXIA-UHFFFAOYSA-N 333.412 4.871 0 40 EJAB Clc1ccc([C@@H]2[C@@H](NCc3ccccn3)[C@H]3CCCC[C@H]32)cc1 19401952 NDXXEALOHDYODB-FYQPLNBISA-N 326.871 4.797 0 40 EJAB COc1ccc(N(Cc2cccs2)C(=O)c2cc(C)oc2C)cc1 32678616 YIKDACAXRJBPBC-UHFFFAOYSA-N 341.432 4.814 0 40 EJAB C[C@@H]1Cc2ccccc2N1C(=O)c1cccc(OCc2cccs2)c1 32940389 VLKXPAAYCJQSFH-OAHLLOKOSA-N 349.455 4.919 0 40 EJAB Cc1nc2cc(NC(=O)Nc3cccc(C(F)(F)F)c3)ccc2o1 59131734 QUAAKGJCDMTLIF-UHFFFAOYSA-N 335.285 4.799 0 40 EJAB CC(C)N(c1ccc([C@H]2CCCN2C(=O)OC(C)(C)C)cn1)C(C)C 72212954 XFUAJYCGDQCXOP-QGZVFWFLSA-N 347.503 4.777 0 40 EJAB CC(C)N1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1 72215382 FQZCDVMBIHVDSI-KRWDZBQOSA-N 345.487 4.531 0 40 EJAB CCc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1 78457669 QREAOIMQWPZMEW-KGLIPLIRSA-N 331.843 4.547 0 40 EJAB CCc1ccc([C@H](Nc2cc(Cl)nc(N)n2)c2cccs2)cc1 89284796 VCUAEOXTZRWKHJ-INIZCTEOSA-N 344.871 4.538 0 40 EJAB O=C(Nc1ccccc1Oc1cccc(F)c1)[C@H]1C[C@@H]1c1cccnc1 89814114 RTXDZRIFJNRCSE-MSOLQXFVSA-N 348.377 4.755 0 40 EJAB C[C@H](c1ccccn1)N(Cc1ccc(Br)cc1)C1CC1 95369318 KGQMQRNMKKYVHB-CYBMUJFWSA-N 331.257 4.570 0 40 EJAB C[C@@H]1CCCN(c2ccccc2OCc2nc3cccnc3s2)C1 95458368 MISHLUNNKBAPCF-CQSZACIVSA-N 339.464 4.507 0 40 EJAB Cc1cccc(C(C)C)c1NC(=O)N[C@H](CCCO)c1ccccc1 96420089 SYQFPRQJDVIVGX-LJQANCHMSA-N 340.467 4.754 0 40 EJAB Cc1ccc(CC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1C 218806498 COTOKOPGFWOYSZ-UHFFFAOYSA-N 343.426 4.716 0 40 EJAB CCC[C@@H](C)NC(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc12 222630295 KOEVWONKJBXIBU-OAHLLOKOSA-N 348.446 4.829 0 40 EJAB Cc1ccc(O[C@@H](C)C(=O)NCc2ccc3ccccc3c2)cc1C 222800987 GCKPUANVAMPBHD-KRWDZBQOSA-N 333.431 4.540 0 40 EJAB CCOc1ccc(C(=O)N[C@H](C)CC)cc1CSc1ccccc1 224648921 LTQPHPWQDXQKBK-OAHLLOKOSA-N 343.492 4.906 0 40 EJAB O=C(NCc1cccnc1-c1cccs1)c1ccc(F)cc1Cl 225759528 NOMRRFVQNIIGDO-UHFFFAOYSA-N 346.814 4.533 0 40 EJAB O=C1c2ccccc2CN1c1ccc2nc(-c3cccc(F)c3)oc2c1 226286996 VMYXOVRGMFFGHA-UHFFFAOYSA-N 344.345 4.794 0 40 EJAB O=C(Nc1ccccc1Cl)c1ccc(Oc2nccs2)cc1 238891064 QPLZRZUXUMVPNA-UHFFFAOYSA-N 330.796 4.841 0 40 EJAB C[C@H](N[C@@H](C[C@H]1CCOC1)c1ccccc1)c1ncc(C(C)(C)C)o1 248795617 YUAZECNHUZQIIG-JZXOWHBKSA-N 342.483 4.791 0 40 EJAB O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1ccccc1 714192 DJAWKJOSEQRTTD-UHFFFAOYSA-N 326.248 4.865 0 40 EJAB CCCCNc1cc2c(cc1Br)-c1ccccc1C2=O 1724479 UITMILLRRMLWEB-UHFFFAOYSA-N 330.225 4.873 0 40 EJAB O=C(c1ccc(CN2CCCC2)cc1)c1ccccc1C(F)(F)F 2514576 GUADOJBUEIFHMF-UHFFFAOYSA-N 333.353 4.532 0 40 EJAB CC(=O)c1ccc(OCC(=O)Nc2ccc(-c3ccccc3)cc2)cc1 3609953 KBZRFLAULXXNPZ-UHFFFAOYSA-N 345.398 4.574 0 40 EJAB C[C@@]12Cc3cnoc3C=C1CC[C@H]1[C@@H]2CC[C@]2(C)[C@H]1CC[C@@]2(C)O 4802414 NYIRPOUXYQWAQW-FNKUJANRSA-N 327.468 4.608 0 40 EJAB O=C(Nc1ccc(F)cc1)C1[C@H]2CC[C@H]3[C@@H](CC[C@@H]12)C3(Cl)Cl 5055152 NLTXPOMUPHQBKJ-RRIFHVCJSA-N 342.241 4.620 0 40 EJAB Cc1cc(C(=O)COc2ccccc2Cl)c(C)n1Cc1ccco1 5861710 PLVDSORHEFZFCE-UHFFFAOYSA-N 343.810 4.661 0 40 EJAB Cc1nn(C(=O)N(c2ccccc2)c2ccccc2)c(C)c1Cl 7348703 DJJARFGGRFZXEI-UHFFFAOYSA-N 325.799 4.960 0 40 EJAB Cc1cc(-c2csc(NC3CCCC3)n2)c(C)n1C[C@H]1CCCO1 8192287 VVHQRSCDGUTUJC-MRXNPFEDSA-N 345.512 4.762 0 40 EJAB CC[C@H](C(=O)OCc1cc(-c2cccs2)on1)c1ccccc1 12236732 WCZFNPAVQJCKMD-HNNXBMFYSA-N 327.405 4.640 0 40 EJAB Cc1nn(C)c2sc(C(=O)Nc3cc(Cl)ccc3Cl)cc12 12687325 KCFNCXPOZMESGL-UHFFFAOYSA-N 340.235 4.502 0 40 EJAB O=C(Nc1ccc(Cl)cc1F)c1cc(Br)ccc1F 12821734 STFSGNYBHATLRG-UHFFFAOYSA-N 346.558 4.633 0 40 EJAB CC(C)c1ccccc1NC(=S)NC(=O)Cc1ccc(Cl)cc1 14784320 JXONTYRPDKXDDB-UHFFFAOYSA-N 346.883 4.519 0 40 EJAB C[C@H]1CCc2[nH]c3ccc(C(=O)Nc4ccc(F)cc4F)cc3c2C1 15564145 BWRSCSXMOFIMKD-NSHDSACASA-N 340.373 4.823 0 40 EJAB Cc1nc(NC(=O)/C=C\c2ccc(Cl)c(Cl)c2)sc1C 17066926 GXFNYDHEIOFNBV-XQRVVYSFSA-N 327.236 4.719 0 40 EJAB CC(C)c1ncc(CN[C@H]2[C@H]3CCCC[C@@H]3[C@@H]2c2ccccc2)cn1 19454166 KWOGUJMPTNNLDT-TUFLPTIASA-N 335.495 4.662 0 40 EJAB C[C@H]1CCN(C(=O)c2ccc(OC(F)F)cc2)c2ccccc2S1 21901352 MBLFOTDHOMKVJG-LBPRGKRZSA-N 349.402 4.819 0 40 EJAB O=C(Nc1ccc(Cl)cc1)c1cccnc1NC1CCCCC1 22072304 KXTINYKKZHVTJT-UHFFFAOYSA-N 329.831 4.732 0 40 EJAB O=C(Nc1ccccc1Cl)c1cccnc1Nc1ccc(F)cc1 22072374 PUXUBBUSPHDQPW-UHFFFAOYSA-N 341.773 4.870 0 40 EJAB Cc1cc(C(=O)CCC(=O)N2CCC[C@@H]2c2ccccc2)c(C)s1 22328597 ZWDQFBFDCHONOO-GOSISDBHSA-N 341.476 4.692 0 40 EJAB COc1cc2c(cc1NC(=O)CCc1cccnc1)oc1ccccc12 29473671 CCCXYFVREOFFPJ-UHFFFAOYSA-N 346.386 4.561 0 40 EJAB Cc1cc(C(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)sc1C 31128838 QFFJWIJCNLELJI-CQSZACIVSA-N 340.448 4.526 0 40 EJAB O=C(Nc1cccc(Cl)c1Sc1ccccn1)c1ccco1 58166370 GQNOSXHWGSIFRZ-UHFFFAOYSA-N 330.796 4.732 0 40 EJAB CC(C)[C@H](C)NC(=O)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 58171966 WEJZORKEUJBNFZ-ZDUSSCGKSA-N 349.450 4.511 0 40 EJAB CCN1C(=O)/C(=C/c2c(OC)ccc3ccccc23)c2ccccc21 59182382 IORSYFRUVFORFU-XMHGGMMESA-N 329.399 4.756 0 40 EJAB O=C(c1ccc(-c2nc3ccc(F)cc3s2)cc1)N1CCCCC1 59843077 UDRQXTTYDLQGEH-UHFFFAOYSA-N 340.423 4.729 0 40 EJAB Cc1ccc(CSc2nnc(COc3ccccc3Cl)o2)cc1 75340850 CLIUWWANHUEBMQ-UHFFFAOYSA-N 346.839 4.903 0 40 EJAB CC[C@H](C)Sc1ccc(NC(=O)N[C@H](C)c2ccon2)c(C)c1 96004125 QIWBKQIXOWNPLG-QWHCGFSZSA-N 333.457 4.756 0 40 EJAB O=C(c1ccco1)c1coc2ccc(OCc3cccc(F)c3)cc12 96184249 PSLMCOPFRYSGQG-UHFFFAOYSA-N 336.318 4.975 0 40 EJAB C/C=C/c1ccc(O[C@H]2NC=Nc3sc(C)c(C)c32)c(OC)c1 96305961 VKNTXVOEJWPRCS-FUTAKVPZSA-N 328.437 4.747 0 40 EJAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](Nc1ncnc3sc4c(c13)CCC4)C2 100718871 PJKJFRSOUWNLLO-SZEPBZDZSA-N 327.497 4.807 0 40 EJAB C[C@H](NC(=O)C1c2ccccc2Oc2ccccc21)[C@@H]1C[C@@H]2CC[C@@H]1C2 100861080 NWULNUHXJNDWKR-MKSNKDDYSA-N 347.458 4.865 0 40 EJAB Cc1ccc(Oc2ccc(NC(=O)/C=C/c3ccncc3)cn2)cc1C 108651732 UPKFWHYJBBMMIF-QPJJXVBHSA-N 345.402 4.538 0 40 EJAB CCc1ccc(OCC(=O)N[C@@H](CC)c2ccc(C)cc2C)cc1 218957387 PCVIXFQSWPKJAW-FQEVSTJZSA-N 325.452 4.512 0 40 EJAB COc1ccc(C(=O)Nc2ccc(C)cc2C)cc1COCC(C)C 224447209 DFLGZVDMWCQSIH-UHFFFAOYSA-N 341.451 4.737 0 40 EJAB CCOc1ccc(C(=O)N[C@@H](C)c2ccc(C)cc2C)cc1Cl 225133826 HYLAHNCDURIGSJ-AWEZNQCLSA-N 331.843 4.847 0 40 EJAB COc1ccc(C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1F 225390122 HROAVKZBDNXWPB-ZDUSSCGKSA-N 329.415 4.623 0 40 EJAB CC[C@@H](NC(=O)Cc1ccc(Cl)cc1F)c1ccc(OC)c(C)c1 225587680 UBCSSKRPDVAGMK-QGZVFWFLSA-N 349.833 4.606 0 40 EJAB COC1(C(=O)Nc2cc(C)c(OCC(C)C)c(C)c2)CCCCC1 225629764 FWDQLKASPOTCDP-UHFFFAOYSA-N 333.472 4.626 0 40 EJAB COc1ccc(C2(NC(=S)Nc3cccc(C)c3)CCCC2)cc1 225840638 XPMGVMXNXUAXIF-UHFFFAOYSA-N 340.492 4.760 0 40 EJAB CCc1ccc(CCNC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1 1544114844 KUVCTRXKACSDPJ-UHFFFAOYSA-N 346.474 4.582 0 40 EJAB O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCCc2ccccc21 145545 ODSVGZUJYKUUBI-CSKARUKUSA-N 332.230 4.986 0 40 EJAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(C(C)(C)C)cc2)c1 505948 WQPXIRDKXCPBNY-UHFFFAOYSA-N 340.492 4.728 0 40 EJAB Cc1ccccc1-n1nc(C)c2cc(C(=O)Nc3ccccc3)sc21 543589 SFBYSKXSHPXMES-UHFFFAOYSA-N 347.443 4.956 0 40 EJAB C[C@@H](Cc1cccs1)NC(=O)Nc1cccc(C(F)(F)F)c1 3211393 NWRIPNRJFCKELY-JTQLQIEISA-N 328.359 4.520 0 40 EJAB Cc1cc(OC[C@@H](O)CN(C(C)C)C(C)C)c(C(C)C)cc1Cl 3391484 KBTDZNRZQOCYEW-INIZCTEOSA-N 341.923 4.630 0 40 EJAB COc1ccc2c(CC(=O)Nc3cccc(C(F)(F)F)c3)coc2c1 3549507 IFXBXPVLZNRFQZ-UHFFFAOYSA-N 349.308 4.641 0 40 EJAB C[C@H](CN1[C@H](C)CCC[C@H]1C)OC(=O)c1ccc(C(C)(C)C)cc1 3904911 WNBGEAYOJFECOY-BRWVUGGUSA-N 331.500 4.792 0 40 EJAB C[C@H]1CCCCN1c1ncnc2c(-c3ccc(Cl)cc3)nsc12 4894993 JHUPPZDAURPUFK-NSHDSACASA-N 344.871 4.786 0 40 EJAB Cc1cc(C(=O)OCc2ncc(-c3ccccc3)o2)c2ccccc2n1 5356666 BONQYCRWUYHUHY-UHFFFAOYSA-N 344.370 4.555 0 40 EJAB Cc1cc(NC(=O)c2ccc(Br)cc2)c(C(C)C)cc1O 5697619 PNPZHSDVXFXGCL-UHFFFAOYSA-N 348.240 4.839 0 40 EJAB O=C(COc1ccc(F)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1 6288819 XCQGSLOHTJCHSH-UHFFFAOYSA-N 347.695 4.515 0 40 EJAB Cc1ccc(N[C@@H]2c3ccccc3C(=O)N2CCC(C)C)c(F)c1 6501653 WDIZAEOUZIYRPA-IBGZPJMESA-N 326.415 4.747 0 40 EJAB O=C(Cc1cc2ccccc2oc1=O)c1ccc(-c2ccccc2)cc1 6618476 QGPORYBFNAZKIF-UHFFFAOYSA-N 340.378 4.885 0 40 EJAB O=C(NCCc1ccccc1)c1ccc(-c2ccccc2Cl)o1 6885131 APZSBJRRARGXHH-UHFFFAOYSA-N 325.795 4.573 0 40 EJAB CC[C@H](O)c1nc2ccccc2n1CCCOc1c(C)cccc1C 7548928 UEVGZCWTRVICBW-IBGZPJMESA-N 338.451 4.566 0 40 EJAB O=C(Nc1ccc(Cl)c2ncsc12)c1nc2ccccc2s1 7598828 QLRBNNYXOARTJK-UHFFFAOYSA-N 345.836 4.812 0 40 EJAB CN(C(=O)c1cccc(C(F)(F)F)c1)[C@H]1CCCc2ccccc21 8039714 NYHZDENUODFVKL-KRWDZBQOSA-N 333.353 4.855 0 40 EJAB O=C(Cc1csc(-c2cccs2)n1)Nc1ccc2c(c1)CCC2 8315639 UKQGMZRRLBLGNS-UHFFFAOYSA-N 340.473 4.542 0 40 EJAB O=C(NCc1ccc(-c2nc3ccccc3o2)cc1)c1cccc(F)c1 9141125 RGPWVSMQJFGNPW-UHFFFAOYSA-N 346.361 4.564 0 40 EJAB CCS[C@@H]1c2ccccc2C(=O)N1[C@@H](C)CCc1ccccc1 9425633 DRHRJCGGYNUMQG-MGPUTAFESA-N 325.477 4.915 0 40 EJAB CN(Cc1ccccc1)C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 9757990 DYCBOGJUSOJPNB-SFHVURJKSA-N 328.843 4.633 0 40 EJAB CCOc1ccccc1NC(=O)c1ccc(-c2ccccc2)nc1C 12747734 IRKISZYCXPNAQF-UHFFFAOYSA-N 332.403 4.708 0 40 EJAB CCN(Cc1ccc(Cl)s1)C(=O)c1cccc2cccnc12 12787315 DCWKNRWQXYOCRR-UHFFFAOYSA-N 330.840 4.612 0 40 EJAB Nc1cc(N)c(/C=C/c2ccccc2)c(N)c1/C=C\c1ccccc1 13402371 NYTACRUTGWIIQX-HEEUSZRZSA-N 327.431 4.774 0 40 EJAB Cc1ccc(/C=C/C(=O)Nc2ccc(OCc3ccccc3)cc2)o1 14123470 BXOFGTNVWLGKGC-BUHFOSPRSA-N 333.387 4.819 0 40 EJAB CC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@]12O[C@H]1[C@@H](O)C(C)=CC2=O 14957785 DKOXVDVXOYHFHV-JEBGIZDZSA-N 344.495 4.823 0 40 EJAB biogenic O=C(NCc1ccc(C(F)(F)F)cc1)Nc1cccc2[nH]ccc12 14973820 DIZORDSNHUYNCI-UHFFFAOYSA-N 333.313 4.508 0 40 EJAB Cc1ccc(NC(=O)Cc2sc(C)nc2-c2cccs2)cc1 15840134 RWYGTXIELRIBAB-UHFFFAOYSA-N 328.462 4.670 0 40 EJAB Clc1cc2c(cc1CSc1cccc3cccnc13)OCO2 16448835 FLXKYALAIGGYON-UHFFFAOYSA-N 329.808 4.909 0 40 EJAB CSCc1cc(O)nc(SCc2ccc(Cl)c(Cl)c2)n1 18152514 FFOADBXXKFJPQU-UHFFFAOYSA-N 347.292 4.644 0 40 EJAB CCOc1ccc([C@H](C)NC(=O)CSCc2ccc(C)cc2)cc1 20042289 URDJGOQMQBLDLD-INIZCTEOSA-N 343.492 4.504 0 40 EJAB Cc1ccc([C@H](C)NC(=O)c2c(C)nn(-c3ccccc3)c2C)c(C)c1 28237173 NKTPYYROWRBJJQ-INIZCTEOSA-N 347.462 4.597 0 40 EJAB OC1=Nc2c(ncn2-c2ccc(Cl)cc2)[C@H](c2ccsc2)C1 36360353 NSCSXVUKEXGTRK-ZDUSSCGKSA-N 329.812 4.711 0 40 EJAB CC[C@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)c1ccc(C)cc1 38771989 LXHSVDLGQJSAMR-YOEHRIQHSA-N 331.843 4.683 0 40 EJAB Cc1[nH]c2ccc(C(=O)N(C)Cc3ccc([C@@H]4C[C@H]4C)o3)cc2c1C 45927540 RRYUPXSQGLEUQE-SJKOYZFVSA-N 336.435 4.773 0 40 EJAB CC(=O)Nc1cccc(NC(=O)N(C)[C@@H](C)c2ccccc2Cl)c1 47388938 MEOUSRVENIOOEA-LBPRGKRZSA-N 345.830 4.523 0 40 EJAB CC(C)c1ccsc1C(=O)Nc1cccc(-n2cc[nH]c2=S)c1 53798894 BBLKWNAELXIHHP-UHFFFAOYSA-N 343.477 4.972 0 40 EJAB COc1cccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)c1OC 60401104 QVRPNNINZMMNGM-UHFFFAOYSA-N 347.370 4.856 0 40 EJAB CC(C)OC(=O)/C=C/c1ccc(OCc2ccccc2Cl)cc1 62715550 VNHUKYLBXLEWQE-FMIVXFBMSA-N 330.811 4.884 0 40 EJAB O[C@@H](CNc1cc2ccccc2c(Cl)n1)c1ccc(Cl)cc1 71849555 UWXFRTRINSCGRX-HNNXBMFYSA-N 333.218 4.687 0 40 EJAB Cc1cc(C)c(NC(=O)NC(C)(C)CCC(=O)OC(C)(C)C)c(C)c1 79104158 QLVPJZQWIRZJBY-UHFFFAOYSA-N 348.487 4.634 0 40 EJAB Cc1cc(F)cc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)c1 96170939 UPDOFIHEOOGYKY-UHFFFAOYSA-N 328.265 4.677 0 40 EJAB CCO[C@H](C)c1nc(C(=O)N(CC)c2cc(C)ccc2C)cs1 96416407 JLTKIAJZWNAHSV-CQSZACIVSA-N 332.469 4.524 0 40 EJAB O=C(Nc1ccccc1)c1nnc(/C(Cl)=C\c2cccs2)s1 96947701 FVNYIXGCEKWERM-FMIVXFBMSA-N 347.852 4.589 0 40 EJAB OCc1ccc(CNc2ccccc2SCc2ccsc2)o1 97229069 NZMLZSAZPBVHMK-UHFFFAOYSA-N 331.462 4.738 0 40 EJAB Cc1nc2ccc(C(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)cc2s1 102705488 KJAFWYTXSGBXBR-KUHUBIRLSA-N 328.481 4.646 0 40 EJAB C[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 105546489 WHULTPQZMBCPJQ-DEEHTKSCSA-N 337.916 4.762 0 40 EJAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2c1c[nH]cn1 118926936 BBUJYEQSYYZBDG-WZYQIZRJSA-N 340.511 4.817 0 40 EJAB Cc1ccc(OCCNC(=O)CCc2ccc(C(C)C)cc2)c(C)c1 224597698 OSLPZOZUQNMSGC-UHFFFAOYSA-N 339.479 4.555 0 40 EJAB Cc1cc(C)c(C)c(O[C@@H](Cc2ccc(C(C)C)cc2)C(=O)O)c1 225046284 JPPIUKZBLSGLSH-FQEVSTJZSA-N 326.436 4.810 0 40 EJAB Cc1ccc(OC[C@@H](C)NC(=S)Nc2ccccc2Cl)cc1C 225789057 FSXNTDUVHCFKPT-CQSZACIVSA-N 348.899 4.711 0 40 EJAB Cc1cc(N)ccc1NC(=O)/C=C/c1ccc(-c2ccc(F)cc2)o1 227145761 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COc1cc(C(=O)Nc2ccccc2)ccc1OCc1ccccc1 6338467 YWXYTRMIELCRTP-UHFFFAOYSA-N 333.387 4.527 0 40 EJAB Cc1ccc(OCc2ccc(C(=O)Oc3ccc(F)cc3)cc2)cc1 6479751 GKPOSVJCTQPAEZ-UHFFFAOYSA-N 336.362 4.932 0 40 EJAB S=C(NCc1ccccc1)Nc1ccc(OCc2ccccc2)cc1 7522041 ZFLWVPJRKWWHJR-UHFFFAOYSA-N 348.471 4.752 0 40 EJAB O=C1c2ccccc2N[C@H](c2c(Cl)cccc2Cl)N1C1CC1 7886104 PVDPBPTVNVBYAP-INIZCTEOSA-N 333.218 4.722 0 40 EJAB C[C@@H](C(=O)Nc1nccs1)c1ccc(-c2ccccc2)c(F)c1 9184211 SUSSVWYDIMXGGI-GFCCVEGCSA-N 326.396 4.691 0 40 EJAB COc1ccc([C@@H]2CCCCCN2C(=O)Nc2ccc(F)cc2)cc1 9871353 WJXDGEZIAUOFRV-IBGZPJMESA-N 342.414 4.984 0 40 EJAB CCCCOc1ccc(NC(=S)N2CCc3ccccc3C2)cc1 12421649 SLRJHELARGKVHN-UHFFFAOYSA-N 340.492 4.621 0 40 EJAB Cc1ccc(CCCNC(=O)CSCc2cccc(Cl)c2)cc1 13669449 LRALQVOCQFYHOL-UHFFFAOYSA-N 347.911 4.631 0 40 EJAB Clc1nc2sc3c(c2c2nc(-c4ccccc4)nn12)CCCC3 13689760 QFNCNYSTZBJLFA-UHFFFAOYSA-N 340.839 4.538 0 40 EJAB CCCCCCOc1ccc(C(=O)Nc2cccc(N)c2C)cc1 19736311 WJMSDBMULTUBMS-UHFFFAOYSA-N 326.440 4.789 0 40 EJAB CC(C)=C1C(O)=Nc2ccccc2-c2nc(/C=C/c3ccccc3)nn21 19974576 VDSVDFNQIHDLHU-OUKQBFOZSA-N 342.402 4.968 0 40 EJAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)N(C)Cc2ccc(Cl)cc2)c1 20462482 ISLKHFKZSMAHCR-INIZCTEOSA-N 345.870 4.691 0 40 EJAB CC(C)Sc1ccc(CC(=O)N[C@@H](C)Cc2cccs2)cc1 38565877 FVJJIOKNTWFWPF-AWEZNQCLSA-N 333.522 4.539 0 40 EJAB CC[C@@H](NC(=O)CSCc1ccccc1C)c1ccc(OC)cc1 44903917 URVMCEOQNQLNLZ-LJQANCHMSA-N 343.492 4.504 0 40 EJAB O=C(Nc1ccc(Cl)cc1)c1cc(-c2cccc(Cl)c2)[nH]n1 57412588 SBLVVLBDWWKCSW-UHFFFAOYSA-N 332.190 4.636 0 40 EJAB CCOc1ccc(OCC)c(NC(=S)Nc2ccc(F)c(C)c2)c1 71326120 UGTKGPKDSLUFTF-UHFFFAOYSA-N 348.443 4.740 0 40 EJAB Cc1cccc(CN2CCC[C@@H]2c2nnc(-c3ccc(C)s3)o2)c1 72390177 BCJDKWUPLBZAFL-MRXNPFEDSA-N 339.464 4.752 0 40 EJAB COc1ccc(CNc2ccc(Br)cc2)cc1Cl 86583593 KOOFVGCIINPUBX-UHFFFAOYSA-N 326.621 4.723 0 40 EJAB O=C(Oc1cccc(Oc2cccnc2)c1)[C@H]1C[C@H]1c1ccc(F)cc1 95456219 GNTSXVPOIINLJO-PMACEKPBSA-N 349.361 4.722 0 40 EJAB O=C(C[C@H]1C[C@@H]2CC[C@@H]1C2)Nc1cccc(N2Cc3ccccc3C2)c1 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EJAB CCCCc1ccc(NC(=O)[C@@H](CC)Oc2ccc(OC)cc2)cc1 408705371 DEODPXQCCMJHAA-HXUWFJFHSA-N 341.451 4.834 0 40 EJAB Cc1cccc(NCc2ccccc2OCc2ccc(C(=O)O)cc2)c1 409112304 FTIMPJVWYOZARN-UHFFFAOYSA-N 347.414 4.884 0 40 EJAB NNc1nnc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1 162512 BJXMZLWEKTZSGR-UHFFFAOYSA-N 338.414 4.763 0 40 EJAB COc1ccc(C(=O)N(Cc2ccccc2)c2cccc(C)c2)cc1 577181 XGGZVHWYCSXYTL-UHFFFAOYSA-N 331.415 4.851 0 40 EJAB Cc1ccc(C(=O)N[C@@H]2c3ccccc3Oc3c(C)cccc32)cc1 1865411 JEAGVWNGZNZHKK-HXUWFJFHSA-N 329.399 4.929 0 40 EJAB CCCC[C@@H](CC)CNC(=O)[C@H](C)Oc1ccc(Cl)cc1C 2741509 ZUHBJWDLYMASGY-LSDHHAIUSA-N 325.880 4.748 0 40 EJAB Clc1ccc(CSc2nnc(-c3ccco3)o2)c(Cl)c1 3249501 BCKPGVLPUHNDFL-UHFFFAOYSA-N 327.192 4.929 0 40 EJAB O=C(Nc1nnc(-c2cc(Cl)ccc2Cl)o1)C1CCCCC1 4479420 SBHNZTRNEFQVCR-UHFFFAOYSA-N 340.210 4.562 0 40 EJAB Cc1ccc(Cl)cc1S(=O)(=O)Oc1ccc2ccccc2c1 5942686 HEOCEWYENLRGAB-UHFFFAOYSA-N 332.808 4.569 0 40 EJAB COc1ccc(CSC(=S)Nc2ccc(F)c(F)c2)cc1 6411225 WNESVLBVWFUUQT-UHFFFAOYSA-N 325.405 4.604 0 40 EJAB C[C@@H](Nc1ccc(F)cc1)C(=O)Nc1cc(Cl)ccc1Cl 7382735 SWPWIGOIYHHXQA-SECBINFHSA-N 327.186 4.572 0 40 EJAB Cc1cc(OCC(=O)N[C@@H](C)c2cc3ccccc3o2)ccc1Cl 8154316 UJYVHUPEMXOEFN-ZDUSSCGKSA-N 343.810 4.651 0 40 EJAB O=C(c1ccc(-c2ccccc2F)o1)N1CC[C@@H]2CCCC[C@H]2C1 8306006 CLWDBNQVMZEEMR-GJZGRUSLSA-N 327.399 4.738 0 40 EJAB Cc1[nH]c2ccc(C(=O)Nc3ccc(N4CCCC4)cc3)cc2c1C 8780103 LXEURQGDUODRLR-UHFFFAOYSA-N 333.435 4.637 0 40 EJAB CC(=O)Nc1ccc2c(C)c(C(=O)c3ccc(Cl)cc3)oc2c1 9420015 HDZVBEJEHXZXNL-UHFFFAOYSA-N 327.767 4.584 0 40 EJAB Cc1ccc2c(C)c(CCC(=O)Nc3cccc(C)c3C)c(=O)oc2c1 12977915 KTMWUJNOBMAFOG-UHFFFAOYSA-N 349.430 4.598 0 40 EJAB CC/C(=N\Nc1nc2ccccc2[nH]1)c1cccc(Br)c1 15514096 KAKXIOAKJKJMGJ-DEDYPNTBSA-N 343.228 4.552 0 40 EJAB CC[C@H](N)c1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1 19735041 LKCGBGGEGUNEKP-AWEZNQCLSA-N 334.250 4.801 0 40 EJAB COc1ccc(/C=C/C(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1 20030229 SDRQEHSBTOGFCD-RUDMXATFSA-N 339.288 4.505 0 40 EJAB CC(C)CC(=O)Nc1ccc2nn(-c3ccc(C(C)C)cc3)nc2c1 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Cc1cc(C)c(NC(=O)c2cnc(-c3ccc(F)cc3)nc2C)c(C)c1 225796041 HFTUYIDOPRQAQS-UHFFFAOYSA-N 349.409 4.769 0 40 EJAB CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1OCc1cccc(Cl)c1 503852979 PNMQHMCDGRXMPK-HZPDHXFCSA-N 339.863 4.693 0 40 EJAB O=C(Nc1ccc(Cl)nc1Cl)c1ccc(Cl)cc1Cl 162956 DBQNGVVYNGNJNL-UHFFFAOYSA-N 336.005 4.948 0 40 EJAB O=C(Nc1ccccc1)c1cccc(-c2cc3ccccc3oc2=O)c1 558412 PQKNWPQMWJGMKC-UHFFFAOYSA-N 341.366 4.712 0 40 EJAB CSc1cccc(NC(=O)Nc2nc3c(C)cccc3s2)c1 1574620 DPHIIOLWWBGYNC-UHFFFAOYSA-N 329.450 4.971 0 40 EJAB COc1cccc2sc(NC(=O)c3ccc(C(C)(C)C)cc3)nc12 3176837 UZBXUIAVRWHMEQ-UHFFFAOYSA-N 340.448 4.855 0 40 EJAB C[C@H](Sc1ccc(F)cc1)C(=O)Nc1ncc(Cl)cc1Cl 3429182 MIRKIUSHZHTYCN-QMMMGPOBSA-N 345.226 4.647 0 40 EJAB O=C(/C=C/c1ccc(Cl)cc1Cl)NCc1ccc(Cl)cc1 5673718 SLVRALCYQKNDAR-XBXARRHUSA-N 340.637 4.976 0 40 EJAB CCCN1C(=O)S[C@@H](Cc2cc(C(C)C)c(OCC)cc2C)C1=O 6879220 SLDZKRBGHXMUCU-KRWDZBQOSA-N 349.496 4.534 0 40 EJAB O=C(CCSc1ccc(Cl)cc1)N1CCCc2ccccc21 13646960 UGYIOPZBEUXHHC-UHFFFAOYSA-N 331.868 4.802 0 40 EJAB CCC[C@H](NC(=O)c1[nH]nc(-c2ccccc2)c1C)c1cccs1 13996097 LADKCLWUHNXOBA-HNNXBMFYSA-N 339.464 4.718 0 40 EJAB C[C@H](NC(=O)CCC(=O)c1ccc(F)cc1)c1cccc2ccccc12 15741603 LSMXXQLNSQINNK-HNNXBMFYSA-N 349.405 4.819 0 40 EJAB Cc1cccc(C)c1NC(=O)c1ccc(OCc2cscn2)cc1 19358100 CVRQUSGUSQQNHT-UHFFFAOYSA-N 338.432 4.591 0 40 EJAB Cc1ccccc1NC(=O)c1sc(Nc2ccc(F)cc2)nc1C 22245737 PLDZXASBKSXAAS-UHFFFAOYSA-N 341.411 4.895 0 40 EJAB CC(=O)c1ccc(OCCC(=O)OCc2cccc3ccccc23)cc1 24201432 ABFVAFIGVYUQQJ-UHFFFAOYSA-N 348.398 4.555 0 40 EJAB CC[C@H](NC(=O)CSCc1ccc(F)cc1)c1ccc(C)cc1 24589463 SLIZIVLVKBSXBS-SFHVURJKSA-N 331.456 4.635 0 40 EJAB COc1ccc(C(=O)N(Cc2cccs2)c2ccc(F)cc2)cc1 27581954 NAIHMVLKTDSROJ-UHFFFAOYSA-N 341.407 4.743 0 40 EJAB COc1ccccc1NC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 32935974 GTPLFDFTNCREEX-LJQANCHMSA-N 342.414 4.887 0 40 EJAB CC(C)[C@@H](NC(=O)Nc1cccc2cnccc12)c1cccs1 53998259 MFZJUXAJGGAACV-QGZVFWFLSA-N 325.437 4.815 0 40 EJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)c1ccc(C)c(C)c1 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Cc1cc(C)c2nc(C3CC3)cc(C(=O)Nc3c(C)ccnc3C)c2c1 568995101 XLZKYIFAIBGYTF-UHFFFAOYSA-N 345.446 4.993 0 40 EJAB O=C(c1ccc(C(F)(F)F)c(Cl)c1)C(Cl)(Cl)Cl 575360997 ZOXQMSLYVMMQCI-UHFFFAOYSA-N 325.928 4.912 0 40 EJAB O=C(NC(=S)Nc1ccccc1)c1sc2ccccc2c1Cl 95273 JVPUAHJKFGABKT-UHFFFAOYSA-N 346.864 4.682 0 40 EJAB CCSC(NC(=O)Nc1cccc(C(F)(F)F)c1)SCC 1390993 ZONGBIOMMURPKV-UHFFFAOYSA-N 338.420 4.617 0 40 EJAB Cc1c(-c2csc(Nc3ccc(Cl)cc3)n2)sc2ncnn12 1401917 JQUZCDFPWIIAGK-UHFFFAOYSA-N 347.856 4.620 0 40 EJAB C[C@H]1CCCC[C@H]1Nc1nc(-c2ccccc2O)nc2ccccc12 2409185 PSINKMOSZHXTLD-WMLDXEAASA-N 333.435 4.993 0 40 EJAB O=C(Nc1nc2c(F)cc(F)cc2s1)c1ccc(Cl)s1 2723748 IHHDGASEHWYRLN-UHFFFAOYSA-N 330.768 4.542 0 40 EJAB O=C(NCCSc1ccc(Cl)cc1)c1cccc(Cl)c1 3128586 TVAQEPLGMJAGMP-UHFFFAOYSA-N 326.248 4.516 0 40 EJAB O=C(C1CCCCC1)n1cc(-c2ccc(Cl)nn2)c2ccccc21 4050647 JSQPWTHSNPRQLE-UHFFFAOYSA-N 339.826 4.972 0 40 EJAB O=C(O)CCCc1cn(Cc2ccc(Cl)cc2)c2ccccc12 4053882 DNGAYDOSZBIXIR-UHFFFAOYSA-N 327.811 4.750 0 40 EJAB CCOc1ccc(N(C(=O)Nc2cccc(C)c2)C2=NCCC2)cc1 4570554 NLXHJTIMVSNSEW-UHFFFAOYSA-N 337.423 4.625 0 40 EJAB C[C@@H](Sc1nc2ccccc2o1)C(=O)Nc1ccc(Cl)cc1 5628833 LHEFYGXZUWJRLR-SNVBAGLBSA-N 332.812 4.601 0 40 EJAB CN1C[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)c2ccccc2Cl)C1 5698949 TZYCOGSJLNLMCK-CVEARBPZSA-N 334.246 4.522 0 40 EJAB CC(=O)c1ccc(NC(=O)CSCc2ccc(C(C)C)cc2)cc1 7150894 UDUZMRHIFWLACI-UHFFFAOYSA-N 341.476 4.885 0 40 EJAB CC[C@@H](C)[C@H](C(=O)Nc1cc(C(=O)OC)ccc1C)c1ccccc1 7801233 XXUXHTOWRUTVMA-KUHUBIRLSA-N 339.435 4.550 0 40 EJAB CC(C)Oc1ccc(NC(=O)COc2ccc3ccccc3c2)cc1 8569106 HHBOJCPZLNJHQZ-UHFFFAOYSA-N 335.403 4.645 0 40 EJAB c1cncc(CN2CCCCC[C@@H]2c2cc(-c3cccs3)on2)c1 12143925 PMSKDPJJHHVPMJ-QGZVFWFLSA-N 339.464 4.915 0 40 EJAB O=C(OCc1ccccc1Oc1ccccc1)c1ccc(Cl)nc1 12824231 FSWGZYUETDLMGD-UHFFFAOYSA-N 339.778 4.884 0 40 EJAB CC(C)Nc1nnc(S[C@H](C)c2nc3ccccc3s2)s1 12940243 COPVQNBNISOYGD-SECBINFHSA-N 336.511 4.821 0 40 EJAB COc1ccc(C[C@@H]2C(=O)N(c3ccccc3)c3ccccc32)cc1 15018197 YSBJDIIZHWUUOC-FQEVSTJZSA-N 329.399 4.700 0 40 EJAB Cc1nc(-c2cccs2)c(CC(=O)NC2CCCCCC2)s1 15842197 BNIVBCKKUWUYGV-UHFFFAOYSA-N 334.510 4.562 0 40 EJAB CCc1ccc(Nc2ncnc3c2cnn3-c2cccc(Cl)c2)cc1 22628120 BUXKBMRLLYZPML-UHFFFAOYSA-N 349.825 4.775 0 40 EJAB CC[C@@H](C)C(=O)NC[C@H](c1cccs1)c1c[nH]c2ccccc12 24435364 HKKASRKKTLCNPJ-CJNGLKHVSA-N 326.465 4.524 0 40 EJAB Cc1nc(NC(=O)c2cc(-c3ccco3)nc3ccccc23)sc1C 31816873 QPPFYYYWUYMJMQ-UHFFFAOYSA-N 349.415 4.820 0 40 EJAB CCOc1cccc2cc([C@H](C)NC(=O)Nc3ccccc3F)oc12 32751226 AQHVJODKHPLBFW-LBPRGKRZSA-N 342.370 4.853 0 40 EJAB Cc1[nH]c(=S)sc1CC(=O)N(C)[C@H](C)c1cc2ccccc2o1 40493925 ZARXSSPLAPPTHE-LLVKDONJSA-N 346.477 4.622 0 40 EJAB Cc1ccc(C)c(OCC(=O)Nc2ccc3[nH]c4ccccc4c3c2)c1 44781851 QACJYMUZMPUUOY-UHFFFAOYSA-N 344.414 4.955 0 40 EJAB O=C(CCC1CCCCC1)Nc1cc(N2CCCC2=O)ccc1Cl 58788108 WTOXLTUSMNOHPI-UHFFFAOYSA-N 348.874 4.766 0 40 EJAB Cc1sc2nc(-c3ccc(-c4ccc(O)cc4)cc3)[nH]c(=O)c2c1C 60476748 RLGRCSXFJIROQC-UHFFFAOYSA-N 348.427 4.641 0 40 EJAB C[C@H](Sc1nnc(NC2CC2)s1)c1ccc(C(F)(F)F)cc1 78480863 RNQCXOGUVYKYFO-QMMMGPOBSA-N 345.415 4.985 0 40 EJAB COc1ccc(C(=O)N2CCc3ccc(F)cc32)cc1-c1ccccc1 83962584 BJULLMWNZPWGPJ-UHFFFAOYSA-N 347.389 4.704 0 40 EJAB O=C(Nc1ccccc1Oc1cccc(F)c1)[C@H]1C[C@H]1c1cccnc1 89814116 RTXDZRIFJNRCSE-ROUUACIJSA-N 348.377 4.755 0 40 EJAB Cc1ncsc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccccc3)=NN21 105972643 DTWUYRHBYJFWGS-YLJYHZDGSA-N 347.443 4.694 0 40 EJAB COc1ccc(N(C(=O)OC(C)(C)C)c2cc(C)ccn2)c(C)c1 199716687 WRVIBQIMVWGZKS-UHFFFAOYSA-N 328.412 4.780 0 40 EJAB O=C(NCc1ccc2ccccc2c1)c1ccc(Br)cc1 222746446 ASJVFEAERRFHHB-UHFFFAOYSA-N 340.220 4.532 0 40 EJAB CCc1cccc(C)c1NC(=O)c1ccc(OC)c(COC(C)C)c1 224423625 QABZMUYAXURLSX-UHFFFAOYSA-N 341.451 4.743 0 40 EJAB Cc1cccc(C[C@H](Oc2ccccc2C(C)(C)C)C(=O)O)c1C 225022568 ORTMIMXACQHPDB-IBGZPJMESA-N 326.436 4.676 0 40 EJAB Cc1ccc(CN(C)C(=O)CCc2ccc(Cl)c(Cl)c2)cc1 225332780 IQXPUUWBQXJMGL-UHFFFAOYSA-N 336.262 4.893 0 40 EJAB CCCOc1ccc(NC(=O)[C@](C)(OCC)C2CC2)c2ccccc12 225837043 BSWPWCSJHQWLIN-OAQYLSRUSA-N 341.451 4.772 0 40 EJAB CCCC[C@H](CC)C(=O)Nc1ccc2c(c1)c(OC(C)C)nn2C 257173660 UMHHEEROCGMRPI-AWEZNQCLSA-N 331.460 4.515 0 40 EJAB COc1cc(C)c(/C=C2\C(=O)N(CC(C)C)c3ccccc32)cc1C 409120744 SXNPJTNEIBQHDW-UNOMPAQXSA-N 335.447 4.855 0 40 EJAB Fc1ccc(-c2ccc(CNc3ccc(-c4cncnc4)cn3)o2)cc1 543066433 HWEVTLXKRZXYOJ-UHFFFAOYSA-N 346.365 4.550 0 40 EJAB CC(C)c1ccccc1NC(=O)COC(=O)c1cccc2ccccc12 1934248 VENIQXIGARJVER-UHFFFAOYSA-N 347.414 4.759 0 40 EJAB O=C(c1cccc(CN2CCCC2)c1)c1cccc(C(F)(F)F)c1 2515078 JYMDFNYHCNJADX-UHFFFAOYSA-N 333.353 4.532 0 40 EJAB c1ccc(-c2csc3nc(-c4cccnc4)nc(NC4CC4)c23)cc1 3453538 DSOAFRXLWHIDKM-UHFFFAOYSA-N 344.443 4.995 0 40 EJAB Cc1ccc(Oc2nc(-c3ccccc3)nnc2C(F)(F)F)cc1 6213587 HBAKOTPLBDCMON-UHFFFAOYSA-N 331.297 4.658 0 40 EJAB CCOC(=O)CSc1c(C)nc2ccccc2c1-c1ccccc1 6418283 OXDLKWKSYUAMNE-UHFFFAOYSA-N 337.444 4.865 0 40 EJAB COc1cccc(NC(=O)c2ccc(OCc3ccccc3)cc2)c1 7062305 LKBNWBNSNNXIRD-UHFFFAOYSA-N 333.387 4.527 0 40 EJAB C[C@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1cc2ccccc2o1 8237721 LAESWTJMDOGXMR-LBPRGKRZSA-N 347.336 4.872 0 40 EJAB c1coc(-c2nnc(SCc3csc(-c4cccs4)n3)o2)c1 9450825 OFAPRWMSWAFBBH-UHFFFAOYSA-N 347.446 4.807 0 40 EJAB COc1ccc2cc(C(=O)Nc3cc(Cl)ccc3C)c(C)nc2c1 10413510 MPFODUJVORVRNG-UHFFFAOYSA-N 340.810 4.766 0 40 EJAB CCc1ccc(C(=O)CCC(=O)Nc2ccc(Cl)cc2F)cc1 13020685 UNFLXJHNJRICGD-UHFFFAOYSA-N 333.790 4.643 0 40 EJAB Cc1ccc(C(C)C)c(OCC(=O)N(C)Cc2cccc(Cl)c2)c1 13099010 CTVMATXPFRHNCR-UHFFFAOYSA-N 345.870 4.809 0 40 EJAB Cc1nc2cc(NC(=O)c3cc(C4CC4)nc4ccccc34)ccc2o1 14074919 NLTCKBGRRQVPBC-UHFFFAOYSA-N 343.386 4.814 0 40 EJAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)Cc1c[nH]c2ccccc12 14171890 HYLREKQYCZBYNM-CYBMUJFWSA-N 349.459 4.540 0 40 EJAB COc1ccccc1[C@H](C)NC(=O)c1ccc(-c2ccccc2)cc1 17970700 ICGZBSKTAWKBKG-INIZCTEOSA-N 331.415 4.853 0 40 EJAB CC(C)c1ccc(-c2nc(C(=O)Nc3nccs3)cs2)cc1 24842070 DZEJOEJHTVQNHE-UHFFFAOYSA-N 329.450 4.642 0 40 EJAB Cc1ccc2c(c1)-c1nc(C3CC3)nn1[C@H](c1ccc(Cl)cc1)N2 40156517 QRMMWUVWLRFKKG-GOSISDBHSA-N 336.826 4.757 0 40 EJAB C[C@@H](NC(=O)Nc1ccccc1SC(F)F)c1cccs1 43552894 IJIZOGMIATXVFU-SECBINFHSA-N 328.409 4.946 0 40 EJAB C[C@@H](Nc1ccc2oc(C3CC3)nc2c1)c1nnc(-c2ccccc2)o1 65593082 WTHUSQVFNVZQQV-GFCCVEGCSA-N 346.390 4.928 0 40 EJAB C[C@H]1Cc2ccc(F)cc2CN1C(=O)Nc1ccc(F)c(Cl)c1 72291977 WKMGLPYBNDZNHO-JTQLQIEISA-N 336.769 4.597 0 40 EJAB O=C(Nc1ccccc1C(F)(F)F)N1CC[C@H]1c1ccccc1F 72314071 RIWCXLRIQIXBDP-HNNXBMFYSA-N 338.304 4.823 0 40 EJAB COc1ccc([C@@H](C)N(C)Cc2c(C3CC3)[nH]c3ncccc23)cc1 72393375 DGBGCXDKPZAEEX-CQSZACIVSA-N 335.451 4.642 0 40 EJAB CC(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 123194937 CGMZETDGTMDEAD-BCEPDLKLSA-N 332.528 4.841 0 40 EJAB CCOC(=O)/C=C/c1ccc(OCc2ccc(F)cc2Cl)cc1 216887323 PCTARWLZKCYLBD-BJMVGYQFSA-N 334.774 4.634 0 40 EJAB C[C@@H](CC(C)(C)c1ccccc1)NC(=S)Nc1ccc(F)cc1 225659029 JHFSQSFVDUGGJH-AWEZNQCLSA-N 330.472 4.869 0 40 EJAB Cc1cc(N)cc(Cl)c1NC(=O)COc1ccc(C(C)(C)C)cc1 227145056 GZXVOLFEIGTWDP-UHFFFAOYSA-N 346.858 4.546 0 40 EJAB O=C(N1CCC(=C2CC2)CC1)C1(c2ccc(Cl)cc2)CCCC1 238828726 FJTDHOBNEXHAJA-UHFFFAOYSA-N 329.871 4.865 0 40 EJAB CCCOc1ccc2ccccc2c1CNc1cccc(C(=O)O)c1 408613992 XDVPBIKCTGWBOE-UHFFFAOYSA-N 335.403 4.939 0 40 EJAB Cc1cccc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)c1 387056 JZEHTKHJBBNKSW-UHFFFAOYSA-N 333.416 4.624 0 40 EJAB CCCCC(=O)Nc1nnc(COc2ccc(C(C)(C)C)cc2)s1 2188979 IQLRVDFASYJQCY-UHFFFAOYSA-N 347.484 4.543 0 40 EJAB O=C(Nc1nccs1)c1cc(-c2ccc(F)cc2)nc2ccccc12 3194106 AFQCBYGLKOCGAH-UHFFFAOYSA-N 349.390 4.750 0 40 EJAB O=C(Nc1cccc2ccccc12)c1c(F)c(F)c(F)c(F)c1F 5224859 ONFQPDGCKWTCCD-UHFFFAOYSA-N 337.247 4.788 0 40 EJAB Cc1ccc(OCc2ccc(C(=O)Nc3ccc(F)cc3)o2)cc1 5485823 VPLYFGNNQGRKQR-UHFFFAOYSA-N 325.339 4.558 0 40 EJAB CC(C)CC(=O)Nc1ccc(C(=O)COc2ccccc2Cl)cc1 5861802 VFTXMQJODOKHJW-UHFFFAOYSA-N 345.826 4.586 0 40 EJAB O=C(OCc1csc(-c2ccccc2)n1)C1(c2ccccc2)CC1 7397343 XMFFKBOAOJBMON-UHFFFAOYSA-N 335.428 4.585 0 40 EJAB COc1ccc([C@@H]2CCCCCN2C(=O)c2cc3ccccc3[nH]2)cc1 8394523 HEYWRJRMTPYWBZ-NRFANRHFSA-N 348.446 4.934 0 40 EJAB CCc1ccc(CN(C)[C@@H](C)c2nnc(-c3ccc(F)cc3)o2)cc1 9836685 LUPPCVGHAFPIAG-AWEZNQCLSA-N 339.414 4.631 0 40 EJAB COc1ccccc1C1(NCc2c(C)nn(C(C)C)c2C)CCCC1 12344578 RFTVWPGIQVWCAW-UHFFFAOYSA-N 341.499 4.649 0 40 EJAB CCCCOC(=O)c1ccc(NC(=S)Nc2ccc(C)cc2)cc1 13796600 NKZAMXAJPSVWML-UHFFFAOYSA-N 342.464 4.761 0 40 EJAB O=C(NC(c1ccccc1)c1ccccc1)c1cc2cc(F)ccc2[nH]1 13957077 SEQMSEZZEOWCKL-UHFFFAOYSA-N 344.389 4.826 0 40 EJAB Fc1cccc(CSc2nnc(-c3c[nH]c4ccccc34)o2)c1F 14141234 LOZDQZUTDBMHET-UHFFFAOYSA-N 343.358 4.788 0 40 EJAB O=C1Nc2ccccc2S/C1=C/c1ccccc1Br 15830572 GPKJHQREKKTAPD-NTEUORMPSA-N 332.222 4.534 0 40 EJAB COc1cc(SC)ccc1C(=O)N[C@H](C)c1ccccc1Cl 16017727 LFPIINPKOZHLEB-LLVKDONJSA-N 335.856 4.562 0 40 EJAB O=C(Nc1ccc(-c2ccc(CO)o2)cc1)c1cccc2ccccc12 20138938 JODDHWDENIQAOL-UHFFFAOYSA-N 343.382 4.844 0 40 EJAB Cc1cc(C)c(S(=O)(=O)N[C@@H](C)c2cc(C)c(C)cc2C)c(C)c1 22540259 XHCZVFPWDWEEEV-SFHVURJKSA-N 345.508 4.577 0 40 EJAB O=C(c1ccc(-c2ccc(F)cc2)o1)N1CCC[C@H]1Cc1ccccc1 25518472 ZQHXOPXPBMHSIR-IBGZPJMESA-N 349.405 4.933 0 40 EJAB CCOC(=O)c1cccc(NC(=O)c2cc3cc(Cl)ccc3o2)c1 28250161 MVUBXMIKMHQZHN-UHFFFAOYSA-N 343.766 4.515 0 40 EJAB CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccc(N3CCCC3)cc2C)C1(C)C 32843271 OKMMAIJJXOPUCS-HKUYNNGSSA-N 326.484 4.772 0 40 EJAB CCN(Cc1cccs1)C(=O)c1ccc(SC(F)F)cc1 48234283 VEPDDTJZBPACGQ-UHFFFAOYSA-N 327.421 4.725 0 40 EJAB Cc1sc2c(c1C)CN(C1CCCCC1)CN2C(=O)c1ccco1 49563743 MXOUYJOGFTVMFH-UHFFFAOYSA-N 344.480 4.711 0 40 EJAB O=C(CCC1CCCC1)Nc1nc(-c2ccc3c(c2)COC3)cs1 61340378 SSUGPMKQAGESKG-UHFFFAOYSA-N 342.464 4.749 0 40 EJAB O[C@@H](CSCc1coc(-c2ccccc2Cl)n1)c1ccccc1 65622528 KFHRORBHONXIRI-KRWDZBQOSA-N 345.851 4.962 0 40 EJAB C[C@H](c1cccc(O)c1)N(C)C(=O)Nc1ccccc1C(F)(F)F 67408141 IRCNKZDQTOYBNC-LLVKDONJSA-N 338.329 4.636 0 40 EJAB Nc1cc(Cl)c(NC(=O)c2ccccc2)cc1NC1CCCCC1 72229038 AODLAPWSNPEILM-UHFFFAOYSA-N 343.858 4.919 0 40 EJAB CC(C)c1ccc(-c2nnc(NC(=O)c3cccs3)s2)cc1 85433836 SBPSWMDCYVNFBD-UHFFFAOYSA-N 329.450 4.642 0 40 EJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCc1ccc2ccccc2c1 222797426 HANDZFSTBKHILL-NRFANRHFSA-N 347.458 4.930 0 40 EJAB CCC1(CC)C[C@H](NC(=O)/C=C/c2ccccc2)c2ccccc2O1 224352892 KEIDGDNHHWTSOF-IQGVVSCOSA-N 335.447 4.899 0 40 EJAB Cc1cc(NC(=S)NC(C(C)C)C(C)C)ccc1Br 225326827 XXKZOBIMTVBRMD-UHFFFAOYSA-N 343.334 4.725 0 40 EJAB CCCOc1ccc(NC(=O)[C@@](C)(CC)OCC)c2ccccc12 225817912 HSSZBWWCIHXWSE-HXUWFJFHSA-N 329.440 4.772 0 40 EJAB CCN(C(=O)c1ccc(-c2cc(N)ccc2Cl)o1)c1ccccc1 226304099 MBOQUGUGQMUITM-UHFFFAOYSA-N 340.810 4.849 0 40 EJAB COc1ccc([C@@H]2Nc3c(C(=O)O)cccc3[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)cc1 245380819 NXJJWEHKROFMQZ-NHQIJDEQSA-N 349.430 4.690 0 40 EJAB CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc(C(F)(F)F)cc1 408682264 WCZIEFZWDLRHDY-AWEZNQCLSA-N 341.304 4.641 0 40 EJAB CSc1ccccc1C(=O)NCc1ccc(-c2cccs2)o1 575609421 UURFFDKGXZFSQK-UHFFFAOYSA-N 329.446 4.660 0 40 EJAB O=C(CSC1CCCC1)NCc1cc(-c2ccsc2)cs1 1888998938 OQVDZPBTCWGNJD-UHFFFAOYSA-N 337.535 4.769 0 40 EJAB Oc1ccc(-c2nc(-c3cccnc3)c(-c3ccc(F)cc3)[nH]2)cc1 1649547 BXBBQCDMNMVTBC-UHFFFAOYSA-N 331.350 4.650 0 40 EJAB Cc1ccc([C@H]2C[C@@H](c3cccc(Cl)c3)n3ncnc3N2)cc1C 2919584 JGQKRLCBLLUPJI-MSOLQXFVSA-N 338.842 4.695 0 40 EJAB CC(C(=O)Nc1cccc2ccccc12)(C(F)(F)F)C(F)(F)F 3124573 QYTVWIFVHDRENH-UHFFFAOYSA-N 335.247 4.909 0 40 EJAB biogenic COc1ccc(C(=O)Nc2nc3c(s2)C[C@H](C(C)(C)C)CC3)cc1 3207616 MGUNDHXIGVVXHP-CYBMUJFWSA-N 344.480 4.555 0 40 EJAB Brc1ccccc1CSc1ncnc2sccc12 6115623 JKCYICZCGDLOIF-UHFFFAOYSA-N 337.267 4.746 0 40 EJAB Cc1ccccc1NC(=S)Nc1ccc(OC(F)(F)F)cc1 6276340 MVCFHCGIZBWBHB-UHFFFAOYSA-N 326.343 4.703 0 40 EJAB Cc1ccc(CNCc2cccc(NC(=O)c3ccc(C)cc3)c2)cc1 6787323 PZYNMPGVYMOSKG-UHFFFAOYSA-N 344.458 4.846 0 40 EJAB Cc1ccc(Oc2ccc(N[C@@H](C)C(=O)NC3CCCC3)cc2)cc1 7243364 UQCLNZYFGGWIOG-INIZCTEOSA-N 338.451 4.647 0 40 EJAB CCOC(=O)c1ccc(-c2ccc(CNC3CCCCCC3)o2)cc1 7520522 UPZPHXSWKCEXQV-UHFFFAOYSA-N 341.451 4.936 0 40 EJAB Cc1ccc(-c2csc3ncnc(Sc4nccn4C)c23)cc1 8149062 NYJYKMKIAKLKFY-UHFFFAOYSA-N 338.461 4.551 0 40 EJAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(F)c(F)c1 8224148 IOYULZYYFAMPFT-SECBINFHSA-N 327.783 4.738 0 40 EJAB COc1ccc2cc(CNC(=O)c3ccc(Cl)cc3F)ccc2c1 9941802 BHHIWCFLPVIHDQ-UHFFFAOYSA-N 343.785 4.571 0 40 EJAB CC(C)(C)c1ccc(CCC(=O)NCc2ccccc2Cl)cc1 10331928 CXUCANINTHIVEU-UHFFFAOYSA-N 329.871 4.887 0 40 EJAB CCOC(=O)c1cccc(NC(=O)CCc2ccc(C(C)C)cc2)c1 10441626 HGMDAFFCMMWSIP-UHFFFAOYSA-N 339.435 4.558 0 40 EJAB C[C@H](Sc1ccc(Cl)cc1)C(=O)N1c2ccccc2C[C@@H]1C 10449635 RSTLPDXKSRZMBS-STQMWFEESA-N 331.868 4.798 0 40 EJAB CC(C)n1ncc2cc(NC(=O)c3cccc(Cl)c3Cl)cnc21 12761520 DOGODLKIQDIYJA-UHFFFAOYSA-N 349.221 4.571 0 40 EJAB C[C@H]1CCCCN1c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 14268955 ZBIVWJGFTXFPNN-HNNXBMFYSA-N 342.870 4.900 0 40 EJAB CC(C)c1ccc(NC(=S)NCCSCc2ccco2)cc1 16313896 OIIIVMYLMROXLC-UHFFFAOYSA-N 334.510 4.623 0 40 EJAB Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)oc2c1C(=O)CCC2 16740304 CSRCUSRMUPIFGZ-UHFFFAOYSA-N 338.190 4.666 0 40 EJAB C[C@@H](c1ccccc1)N1CC[C@@H]1C(O)(c1ccccc1)c1ccccc1 19800874 SGRXPZXZFVLCLR-WMZHIEFXSA-N 343.470 4.758 0 40 EJAB Cc1nc(-c2cccs2)c(CCC(=O)Nc2ccccc2)s1 19933141 BPRQELKNSCCGDU-UHFFFAOYSA-N 328.462 4.751 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2cccc3ccccc23)cc1 20039980 WKWJLMSFLDHEPU-SJORKVTESA-N 333.431 4.793 0 40 EJAB Cc1ccc(CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 20502767 UCHYZDUQDMPPAG-UHFFFAOYSA-N 327.733 4.848 0 40 EJAB Cc1cccc2c(=O)cc(C(=O)Nc3cc(Cl)ccc3Cl)oc12 27995164 PRZRTIVKSCLMMT-UHFFFAOYSA-N 348.185 4.661 0 40 EJAB O=C1CSc2ccccc2N1C(=O)Nc1cccc2ccccc12 28527567 CTOARFGLGDWBBG-UHFFFAOYSA-N 334.400 4.511 0 40 EJAB CCCOc1ccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1 33399170 KOQXUEKSTXXCNW-LGMDPLHJSA-N 339.416 4.716 0 40 EJAB O=S(=O)(Oc1cccc2ccccc12)c1ccc2ccccc2c1 35685956 QMCHKRGSPLWSPE-UHFFFAOYSA-N 334.396 4.761 0 40 EJAB CC[C@H](C(=O)N[C@@H](C)c1cccc(Br)c1)c1ccccc1 36395557 HYCZMFDGGFBQJZ-GUYCJALGSA-N 346.268 4.820 0 40 EJAB O=C(CCc1ccc(F)c(F)c1)N1CCCC[C@@H]1Cc1ccccc1 58165961 OERFIFGOILBEIG-GOSISDBHSA-N 343.417 4.521 0 40 EJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)c1cc(C)ccc1C 59351535 MGDCPZMSSZVAPU-BEFAXECRSA-N 345.870 4.992 0 40 EJAB O=C(/C=C/c1ccccc1)O[C@H](c1cccc(F)c1)c1ccccn1 65591937 OXWZMDKRYMSTPH-JNCYCUAHSA-N 333.362 4.567 0 40 EJAB CCc1nc(C)c(C(=O)Nc2scnc2-c2ccc(F)cc2)s1 65625346 CIBIGQQRFYZQCH-UHFFFAOYSA-N 347.440 4.529 0 40 EJAB Cc1ccc2nc(C)c(C(=O)Nc3cc(Cl)cc(Cl)c3)n2c1 71459184 DFBXXYCOXXGQQN-UHFFFAOYSA-N 334.206 4.510 0 40 EJAB CN1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 72215548 HGRQBAFJBFWAEJ-QGZVFWFLSA-N 345.487 4.532 0 40 EJAB Clc1ccc2cc(Nc3cc(CN4CCCC4)ccn3)ncc2c1 85224800 HAZBPEQJWFSYCU-UHFFFAOYSA-N 338.842 4.623 0 40 EJAB Cc1nc(-c2ccccc2F)sc1CNC(=O)Nc1cccs1 85471001 LEHUFAVXWKFFID-UHFFFAOYSA-N 347.440 4.641 0 40 EJAB CC[C@@H](NC(=O)COc1ccc(Cl)c(C)c1)c1ccc(C)cc1C 218941493 MWQBOJMRXLBXDT-LJQANCHMSA-N 345.870 4.912 0 40 EJAB CC[C@@H](NC(=O)COc1cccc(C)c1C)c1ccc(C)c(C)c1 222822194 VYYOOCRXTRSDNZ-LJQANCHMSA-N 325.452 4.567 0 40 EJAB O=C(O)[C@@H](Cc1ccccc1Cl)Oc1cccc2ccccc12 225057048 RNLWKKDPUIUFOA-GOSISDBHSA-N 326.779 4.568 0 40 EJAB CC[C@H](NC(=O)c1ccc2c(c1)CCCC2)c1ccc(OC)c(C)c1 225636331 RNXUIZCEUSRDFB-FQEVSTJZSA-N 337.463 4.764 0 40 EJAB COc1ccc(NC(=O)C2(OC)CCCCCC2)c2ccccc12 225806802 UJFXJDJVCKLXRY-UHFFFAOYSA-N 327.424 4.526 0 40 EJAB O=C(NC[C@H](c1ccsc1)c1ccco1)c1c(F)cccc1Cl 618256254 GYKBBZMQUYKECW-GFCCVEGCSA-N 349.814 4.696 0 40 EJAB Cc1ccc(C2=NN3[C@H](c4ccc(F)cc4)Oc4ccccc4[C@H]3C2)o1 385956 FKLZLVMZAXCPPU-NQIIRXRSSA-N 348.377 4.969 0 40 EJAB CCn1c(COc2cccc3ccccc23)nnc1SC(C)C 419174 HRMJJXKNHQYFGM-UHFFFAOYSA-N 327.453 4.531 0 40 EJAB Cc1cc(C)cc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2)c1 512950 NWKVWKUKJMXOEW-UHFFFAOYSA-N 343.386 4.759 0 40 EJAB CCO[C@H]1CC(C)(C)c2c(-c3ccccc3)nn(-c3ccccc3)c2O1 1868704 GMSJFVWJHZNWER-GOSISDBHSA-N 348.446 4.962 0 40 EJAB Cc1cccc(-c2nnc(SCc3ccc(Cl)cc3)n2C)c1 3421285 NRBDUUWSBOBBSL-UHFFFAOYSA-N 329.856 4.736 0 40 EJAB CSc1ccccc1NC(=O)Cc1ccc(Cl)c(Cl)c1 3427627 FGQQNWLUTDLBNS-UHFFFAOYSA-N 326.248 4.897 0 40 EJAB CCCC(=O)N(Cc1ccccc1)c1nc2c(F)cccc2s1 5299692 LZOFODPZMZIXAP-UHFFFAOYSA-N 328.412 4.769 0 40 EJAB COc1ccccc1CC(=O)Nc1cccc(Oc2ccccc2)c1 6945595 CIQQLWJNTZRLHO-UHFFFAOYSA-N 333.387 4.669 0 40 EJAB c1ccc2c(c1)SCC[C@H]2Nc1ncnc2sc3c(c12)CCC3 7006545 ITLSEYVYSHWDOX-CYBMUJFWSA-N 339.489 4.829 0 40 EJAB CCOc1ccc(-c2cc(C(=O)Nc3ccc(CC)cc3)no2)cc1 11915141 HZLPFVUKONAJIV-UHFFFAOYSA-N 336.391 4.555 0 40 EJAB Cc1nc(NC(=O)c2ncoc2-c2cccs2)sc1C(C)(C)C 12115126 UGZYOMFOTKMPET-UHFFFAOYSA-N 347.465 4.718 0 40 EJAB Cc1cccc(C)c1Oc1ccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 13855874 IPUZYYXWEIVKTB-KDURUIRLSA-N 347.414 4.551 0 40 EJAB Cc1nc2ccc(N[C@@H](C)c3nnc(-c4ccccc4)o3)cc2s1 15510716 UGYCIMQKZRVQQK-NSHDSACASA-N 336.420 4.828 0 40 EJAB O=C(Cc1ccc(Cl)cc1)Nc1ccc(C(=O)c2ccccc2)cc1 18193329 ZWMOSFFEJRHRHR-UHFFFAOYSA-N 349.817 4.752 0 40 EJAB O=C(NC1CCCCCCC1)c1ccccc1SC[C@H]1CCCO1 19309810 JLHLKHDEEMPPOW-QGZVFWFLSA-N 347.524 4.800 0 40 EJAB Clc1ccc([C@@H]2[C@@H](NCc3ccncc3)[C@H]3CCCC[C@H]32)cc1 19336279 WBTAPMSKJUVVQP-FYQPLNBISA-N 326.871 4.797 0 40 EJAB Cc1ccccc1OCC(=O)N[C@@H](c1ccccc1)c1ccccc1C 20491750 SRTAPAZAPKPNHJ-QHCPKHFHSA-N 345.442 4.588 0 40 EJAB CC(=O)c1ccc(OCc2coc(-c3cccc(Cl)c3)n2)cc1 26776746 RNOMOYORGFEUMP-UHFFFAOYSA-N 327.767 4.777 0 40 EJAB CC(C)c1ccc(CCNC(=O)Cc2c(F)cccc2Cl)cc1 32983080 AJJWBBUYBFDQGG-UHFFFAOYSA-N 333.834 4.504 0 40 EJAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccccc1C(C)C 38755816 BTKHFSKLKJAATK-CYBMUJFWSA-N 347.842 4.878 0 40 EJAB COc1cc(OC)cc(C(=O)Nc2ccc3[nH]c4ccccc4c3c2)c1 44781721 OJRFACAADUJXEP-UHFFFAOYSA-N 346.386 4.591 0 40 EJAB CC[C@H](NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccc(C)cc1 59351739 WDOGCJDOXYUKGY-FQEVSTJZSA-N 339.479 4.939 0 40 EJAB Oc1ccccc1C1=N[C@H](c2ccccc2)N[C@@H](c2ccccc2)C1 61868520 UJROPHQMKHBBEJ-DENIHFKCSA-N 328.415 4.615 0 40 EJAB CC[C@H](NC(=O)c1ccc(OC(C)C)cc1)c1ccc(OC)c(C)c1 223230151 LWEZILIVZUATBP-IBGZPJMESA-N 341.451 4.672 0 40 EJAB CCCc1ccc(OCCNC(=O)c2ccccc2SCC)cc1 224640139 MCQVYQGYTSYQLB-UHFFFAOYSA-N 343.492 4.560 0 40 EJAB COc1ccc([C@H](CC(C)C)NC(=S)Nc2cccc(F)c2)cc1 225498815 ARVCQAZXRZFPRT-SFHVURJKSA-N 346.471 4.908 0 40 EJAB CCOc1ncc(NC(=O)C2(c3ccc(C)cc3)CCCC2)cc1C 225861185 RJEMFYUMHNPGMM-UHFFFAOYSA-N 338.451 4.548 0 40 EJAB CCN(CC)c1ccc(NC(=O)c2cccc3ccccc23)cc1N 226263225 YVKCNTGVBKNZHD-UHFFFAOYSA-N 333.435 4.521 0 40 EJAB O=C(CCCc1ccccc1)NCc1cc(-c2ccco2)cs1 1775969094 XFRQRINWJDGJNH-UHFFFAOYSA-N 325.433 4.647 0 40 EJAB O=C(NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)c1cccs1 3345759 OHCDEUBPASYAPI-KRWDZBQOSA-N 346.455 4.791 0 40 EJAB COc1ccc(NC(=O)Cc2coc3cc(C)c(C)cc23)cc1Cl 5463553 ZGJUXNAHEYWONP-UHFFFAOYSA-N 343.810 4.893 0 40 EJAB O=C(c1ccc(Cl)cc1)N(Cc1ccc(F)cc1)Cc1ccco1 6747497 NTOHZOQPWWDNRD-UHFFFAOYSA-N 343.785 4.915 0 40 EJAB O=C(Cc1csc(-c2ccccc2Cl)n1)NC1CCCCCC1 6789320 GJPKPXJLEGKJCU-UHFFFAOYSA-N 348.899 4.845 0 40 EJAB O=C(Nc1nc2cc(Cl)ccc2s1)c1cc2ccccc2o1 8560652 NGDXWTWUMKQEQU-UHFFFAOYSA-N 328.780 4.948 0 40 EJAB O=C(COc1cccc(C(F)(F)F)c1)Nc1cccc2ccccc12 10860374 REINOMZNTWTFGL-UHFFFAOYSA-N 345.320 4.876 0 40 EJAB O=C(NCCCCOc1ccccc1)c1cccc(Cl)c1Cl 11079378 PDXKQZGLARJPDB-UHFFFAOYSA-N 338.234 4.582 0 40 EJAB Cc1nc(NCc2ccccn2)c2c(-c3cccs3)csc2n1 12643847 HBNPBBLXJMJDHM-UHFFFAOYSA-N 338.461 4.735 0 40 EJAB O=C(Cc1ccc(-c2ccccc2)cc1)N(Cc1ccco1)C1CC1 12905141 RSKHLKKYYGICEY-UHFFFAOYSA-N 331.415 4.680 0 40 EJAB S=C(Nc1cc(Cl)cc(Cl)c1)Nc1ccc2c(c1)OCO2 13788223 SHRJSFYJNXTWCD-UHFFFAOYSA-N 341.219 4.531 0 40 EJAB Cc1ccc([C@@H](C)NC(=S)Nc2ccc(Br)cc2)cc1 13816111 PDDUWNFQPHKVIC-GFCCVEGCSA-N 349.297 4.805 0 40 EJAB CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(Br)cc1 13994533 IZUFSEOOQOTWMI-HNNXBMFYSA-N 348.240 4.554 0 40 EJAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)Cc1c[nH]c2ccccc12 14171892 HYLREKQYCZBYNM-ZDUSSCGKSA-N 349.459 4.540 0 40 EJAB Cc1ccc(-c2nnc(C3CCN(Cc4cccs4)CC3)o2)s1 19217866 FYNLHVPBJYHBMA-UHFFFAOYSA-N 345.493 4.548 0 40 EJAB O=C(NCCSCc1cccc(Cl)c1)c1ccc(Cl)cc1 20240008 GZWDICHXXKDVIC-UHFFFAOYSA-N 340.275 4.657 0 40 EJAB COc1ccc(Cc2nc(-c3cc(F)ccc3F)cs2)cc1OC 23624777 TYKTZNNBVZOYNK-UHFFFAOYSA-N 347.386 4.696 0 40 EJAB Cc1cc(OS(=O)(=O)c2ccc(C(C)(C)C)cc2)ccc1Cl 26844531 QZNSYWRZHNYFMT-UHFFFAOYSA-N 338.856 4.714 0 40 EJAB CCCCc1ccc([C@@H](NCc2cnn(C)c2)c2cccs2)cc1 48314523 ZZWNAQIUBLVIJB-HXUWFJFHSA-N 339.508 4.703 0 40 EJAB CC(C)CCNC(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 57344743 JDPAQHCQSBDKIC-OTXOEQGISA-N 325.496 4.687 0 40 EJAB Cc1ccc(C(=O)N(C2CC2)[C@@H](C)c2cccc(C(F)(F)F)c2)o1 58700937 NQNAAPLUBZTOMW-LBPRGKRZSA-N 337.341 4.973 0 40 EJAB CCc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1 64982240 LOAUXOBINDLWMM-AWEZNQCLSA-N 331.843 4.925 0 40 EJAB C[C@H](c1ccccc1Cl)N1CCC(NC(=O)C2CCCCC2)CC1 68335033 SLMYRXSNHOFMKZ-OAHLLOKOSA-N 348.918 4.562 0 40 EJAB CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2C)cn1 72215141 GLJXFSGZGBTCQP-WBVHZDCISA-N 347.503 4.778 0 40 EJAB Cc1c(NC(=O)c2csc(-c3ccoc3)n2)sc2c1CCCC2 72305411 QYBQJMCZRJTQMK-UHFFFAOYSA-N 344.461 4.904 0 40 EJAB Cc1nnc(-c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)o1 74827701 RSIMSBHUADXFOC-UHFFFAOYSA-N 348.189 4.604 0 40 EJAB CCO[C@H](C)c1nc(CSCc2csc(CC)n2)cs1 76860420 OJGWUFNSTGNGAD-SNVBAGLBSA-N 328.528 4.693 0 40 EJAB CO[C@H](C)c1cccc(NC(=O)N(C2CC2)[C@@H](C)c2ccco2)c1 84656148 OPQVVJGNOQXUGM-UONOGXRCSA-N 328.412 4.745 0 40 EJAB Cc1ccccc1NC(=O)N(CCc1cccs1)Cc1ccoc1 90612435 CZYDXTNNGFTHFU-UHFFFAOYSA-N 340.448 4.926 0 40 EJAB COCCOc1ccc([C@@H](C)Nc2ccc(C)c(C)c2)cc1OC 95462730 MXHZVLDZZDACOY-MRXNPFEDSA-N 329.440 4.510 0 40 EJAB Cc1ccc(SCCC(=O)N[C@@H]2CCCc3ccccc32)cc1 113932633 NABOTHFOVDBULT-LJQANCHMSA-N 325.477 4.671 0 40 EJAB CCN(c1ccccc1-c1ccccc1)S(=O)(=O)c1ccccc1 224676124 RRHPHKBSSLUZIM-UHFFFAOYSA-N 337.444 4.569 0 40 EJAB CC[C@H](NC(=O)c1ccc(C)cc1Cl)c1ccc(OC)c(C)c1 225007396 RYWJBEMHHKWUCQ-KRWDZBQOSA-N 331.843 4.847 0 40 EJAB CN(C(=O)C(F)(F)F)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 226302993 XEBPYIWSPUXNAM-UHFFFAOYSA-N 337.385 4.680 0 40 EJAB Nc1nc2c(Cl)cc(NC(=O)c3cc4ccccc4o3)cc2s1 226311207 HTLPBSPGTOMNFU-UHFFFAOYSA-N 343.795 4.530 0 40 EJAB CSc1ccccc1C(=O)N[C@@H](C)Cc1csc2ccccc12 575619302 CYZHAXXYTGXFFT-ZDUSSCGKSA-N 341.501 4.984 0 40 EJAB O=C(NC1(Cc2cccc(F)c2)CCC1)c1csc2c1CCCC2 1138484169 FJFWBTVOZDKOMH-UHFFFAOYSA-N 343.467 4.661 0 40 EJAB COc1ccccc1C(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1 260350 BMPHLJRRBDXUPD-UHFFFAOYSA-N 342.395 4.519 0 40 EJAB CCC(=O)N1c2ccc(Cl)cc2[C@@H]2OCC[C@@H]2[C@H]1c1ccco1 529705 DKDKVIPKAZQOEX-OCBCSQNSSA-N 331.799 4.509 0 40 EJAB Cc1cc(C)c(C(=O)COC(=O)c2cccc3ccccc23)c(C)c1 3334053 MAUPTWOWXZZUHQ-UHFFFAOYSA-N 332.399 4.805 0 40 EJAB COc1cccc2sc(Nc3nc(-c4cccnc4)cs3)nc12 4061280 LNDRUXJTIYBBFL-UHFFFAOYSA-N 340.433 4.567 0 40 EJAB O[C@@H](c1ccc(Cl)cc1)[C@@H](c1ccccc1)N1CCCCCC1 4311722 JFAWEJBCVBGKNT-UXHICEINSA-N 329.871 4.991 0 40 EJAB Fc1ccc(-c2cn3cc(Cc4ccccc4F)sc3n2)cc1 5020479 FDLXBZROLUTTLH-UHFFFAOYSA-N 326.371 4.932 0 40 EJAB CCC(=O)Nc1ccc(-c2csc(NC3CCCCC3)n2)cc1 5861265 MRTSWMSDLACEEM-UHFFFAOYSA-N 329.469 4.903 0 40 EJAB COc1ccc2oc(C(=O)N3CCC[C@H]4CCCC[C@@H]43)c(C)c2c1 7689997 SORNPEHOJDVEMC-PBHICJAKSA-N 327.424 4.545 0 40 EJAB COc1ccc(Nc2nc(-c3cc(F)ccc3OC)cs2)cc1 7843959 ZDPWKRMUAIFYKZ-UHFFFAOYSA-N 330.384 4.710 0 40 EJAB CC[C@@H](NC(=O)CCc1ccccc1)c1ccc(Br)cc1 8038769 BXBHFNMVWBPDOE-QGZVFWFLSA-N 346.268 4.649 0 40 EJAB COc1ccc(C(C)=O)cc1CNC(c1ccccc1)c1ccccc1 8319894 OPENXDHMQNZLHF-UHFFFAOYSA-N 345.442 4.777 0 40 EJAB O=C(CSc1nc2ccccc2n1C1CCCCC1)c1ccc[nH]1 9367078 LBTOJGZJYYVXRM-UHFFFAOYSA-N 339.464 4.845 0 40 EJAB C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)c1cccs1 12816769 SKIQSLQVLOJNQJ-VHSXEESVSA-N 344.263 4.700 0 40 EJAB COc1ccccc1C[C@@H]1C(=O)N(c2ccccc2)c2ccccc21 15018280 HTEXUKZIAITSLH-IBGZPJMESA-N 329.399 4.700 0 40 EJAB COc1ccc(O[C@@H](C)CNc2ccc(Cl)cc2Cl)cc1 19737866 SKZXZRSQKODTNR-NSHDSACASA-N 326.223 4.881 0 40 EJAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccccc1SC 20048244 MYCVIBUFAQLQGO-INIZCTEOSA-N 329.465 4.821 0 40 EJAB CCc1ccccc1O[C@@H](C)C(=O)N[C@@H](CC(C)C)c1ccccc1 30856345 HAKCRJYOPQKFLR-PXNSSMCTSA-N 339.479 4.920 0 40 EJAB O[C@](CCN1CCCCC1)(c1ccccc1)c1ccc(C2CC2)cc1 33898496 GZUDNCQEOHGFEE-HSZRJFAPSA-N 335.491 4.676 0 40 EJAB COc1ccccc1[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc2N1 35572153 UVDGAWJDRWQSBG-MRXNPFEDSA-N 340.423 4.604 0 40 EJAB Cc1ccc(C)c(NC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)c1 40478253 JGRYRGDEVYERGJ-UHFFFAOYSA-N 325.799 4.599 0 40 EJAB CC(=O)Nc1ccc([C@@H]2O[C@H]3CCCC[C@@H]3c3sccc32)cc1 41107746 PZBHSMRWTXJCIK-SZMVWBNQSA-N 327.449 4.852 0 40 EJAB O=C(Cc1ccc(-c2nc3ccccc3s2)cc1)N1CCCCC1 41127084 HPLCOEFTDWORNN-UHFFFAOYSA-N 336.460 4.518 0 40 EJAB Cc1nn(C(C)C)c(C)c1NC(=O)Nc1cccc2c1CCCC2 48333377 VKZQGVJLJSQHQC-UHFFFAOYSA-N 326.444 4.604 0 40 EJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccc(C)c(C)c1 59351328 UVPOHXMFEYIHOQ-KXBFYZLASA-N 345.870 4.992 0 40 EJAB Oc1ccccc1C1=N[C@@H](c2ccccc2)N[C@H](c2ccccc2)C1 61868521 UJROPHQMKHBBEJ-UGKGYDQZSA-N 328.415 4.615 0 40 EJAB O=C(Nc1ccc(CCN2CCCC2)cc1)c1cccc2ccccc12 65876982 BWHUJHKRJGWHPA-UHFFFAOYSA-N 344.458 4.730 0 40 EJAB O=C(Nc1ccc(Nc2ccccc2)cc1)[C@H]1COc2ccccc21 78692543 WIHSQWHOMYJWQY-IBGZPJMESA-N 330.387 4.545 0 40 EJAB CC(C)CSCCSc1nnc(-c2ccccc2Cl)n1C 89856448 VYDUAWXZLIJURY-UHFFFAOYSA-N 341.933 4.617 0 40 EJAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1Cl 96586406 XEZFHRKOLYESJR-CYBMUJFWSA-N 329.827 4.625 0 40 EJAB CCOC(=O)c1cc(Cl)c(OCc2ccccc2C)c(OCC)c1 216828689 ACLKXGPMQTTXFJ-UHFFFAOYSA-N 348.826 4.803 0 40 EJAB COc1ccc(C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1C 222774357 RAEZNFHZUIAKLL-OAHLLOKOSA-N 325.452 4.792 0 40 EJAB CCCCc1ccc(C[C@H](Oc2cc(C)cc(C)c2)C(=O)O)cc1 225128385 HKPCYPSAVCLRJV-FQEVSTJZSA-N 326.436 4.721 0 40 EJAB Cc1cccc(C(=O)Nc2cc(-c3ccc(C(=O)O)o3)ccc2C)c1 226356023 MIMHNWNDIIXNLG-UHFFFAOYSA-N 335.359 4.514 0 40 EJAB COc1cccc(C(=O)N2c3ccccc3CCc3ccccc32)c1 55125 FIRWZFWFRCJCKB-UHFFFAOYSA-N 329.399 4.772 0 40 EJAB Cc1[nH]c2ccccc2c1CCNC(=O)c1c(Cl)cccc1Cl 91620 MGEKSZJPCUJZMV-UHFFFAOYSA-N 347.245 4.756 0 40 EJAB biogenic,in-vitro COP(=O)(OC)[C@@H](Nc1ccc(Cl)cc1)c1ccccc1 2306212 KONUECVLMWQWKY-OAHLLOKOSA-N 325.732 4.937 0 40 EJAB CC[C@H](C)Nc1c2c(nc3c(-c4ccccc4)c(C)nn13)CCCC2 2348357 XZHXGFPECHMTOQ-AWEZNQCLSA-N 334.467 4.794 0 40 EJAB O=C(Nc1cc2ccccc2cc1NC(=O)c1ccco1)c1ccco1 3087253 KRKJKBWGDZZPEP-UHFFFAOYSA-N 346.342 4.530 0 40 EJAB C[C@H]1CCc2nc(NC(=S)Nc3ccc(Cl)cc3)sc2C1 3304946 WDKRFVJAYVIHEI-VIFPVBQESA-N 337.901 4.730 0 40 EJAB CCOc1ccc(-c2cnc(NCc3cccc(Cl)c3)n2C)cc1 4678933 UWYJQBYGVLNZPM-UHFFFAOYSA-N 341.842 4.751 0 40 EJAB C[C@H]1Cc2ccccc2N1C(=O)CCSc1ccc(Cl)cc1 4731667 OCVUUDDPQJUJLD-ZDUSSCGKSA-N 331.868 4.800 0 40 EJAB COCCn1cc(NC(=O)Nc2cc(C)cc(C)c2)c2ccccc21 5266533 OAHOBIWIPHUEAP-UHFFFAOYSA-N 337.423 4.549 0 40 EJAB COc1ccccc1-c1csc(NC(=O)c2ccc(C)c(C)c2)n1 6815112 NGHCDFQQAZWHMA-UHFFFAOYSA-N 338.432 4.688 0 40 EJAB CCCCOc1ccc(C(=O)Nc2c(F)c(F)cc(F)c2F)cc1 6875601 AVMQKVJOLPYTFK-UHFFFAOYSA-N 341.304 4.674 0 40 EJAB CC(=O)c1ccc(NC(=O)c2sc(-c3ccccc3)nc2C)cc1 8060213 YDNFSCOKGSZHLD-UHFFFAOYSA-N 336.416 4.573 0 40 EJAB CC[C@H](C)c1ccc(Cn2c(CN(C)C(C)=O)nc3ccccc32)cc1 9250266 HUQJKJZBVWZBSI-INIZCTEOSA-N 349.478 4.576 0 40 EJAB CCc1ccc(CCC(=O)NCCSc2ccc(Cl)cc2)cc1 10338634 BUQPWALOZYBNRG-UHFFFAOYSA-N 347.911 4.744 0 40 EJAB COc1cccc(-c2ccc(SCc3ccccc3F)nn2)c1 10453423 LNSKASMZIIBEIE-UHFFFAOYSA-N 326.396 4.584 0 40 EJAB c1ccc2c(C3CCN(c4ncnc5sccc45)CC3)c[nH]c2c1 12791149 CWAZGLRYBXOCKV-UHFFFAOYSA-N 334.448 4.557 0 40 EJAB CC(C)(C)c1nc2ccc(NC(=O)c3cccc4ncccc34)cc2[nH]1 12792887 AYIRQFAPITZRPU-UHFFFAOYSA-N 344.418 4.661 0 40 EJAB CN(Cc1ccc(C(C)(C)C)cc1)C(=O)Cc1ccc(Cl)cc1 13097236 RAWZHTPGJZGTDW-UHFFFAOYSA-N 329.871 4.839 0 40 EJAB CC[C@@H](NC(=O)CSCc1cccc(Cl)c1)c1ccccc1 20456775 SHPWSNMTPCUDAF-QGZVFWFLSA-N 333.884 4.841 0 40 EJAB Cc1ccc(S[C@H](C)C(=O)N[C@@H](C)c2ccc(C)cc2C)cc1 20487806 ZWELLMYPMJGNAK-DLBZAZTESA-N 327.493 4.970 0 40 EJAB CC(C)CCNC(=O)c1ccc(OCCSc2ccccc2)cc1 20492702 BRPBUWMKQMDJNX-UHFFFAOYSA-N 343.492 4.634 0 40 EJAB O=C(O)c1cc(-c2cccc(Br)c2)nc2ccc(F)cc12 20553260 QBDBHCCPRPWBBZ-UHFFFAOYSA-N 346.155 4.502 0 40 EJAB Cc1ccc(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)s1 21205718 VCHDYCVNDWJYAG-UHFFFAOYSA-N 329.421 4.740 0 40 EJAB Cc1nc(C(F)(F)F)ccc1NC(=O)Nc1ccc(Cl)cc1 44676307 SCGIYLHCNCYNMT-UHFFFAOYSA-N 329.709 4.706 0 40 EJAB Cc1ncsc1C(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 48326276 GOIDDGSDZQZJSL-MRXNPFEDSA-N 328.481 4.726 0 40 EJAB Cc1nc(S[C@H](C)C(=O)Nc2c(Cl)cccc2Cl)oc1C 53720680 PHKSPDDUKODBPX-SECBINFHSA-N 345.251 4.718 0 40 EJAB O=C(Nc1cccc2cnccc12)N[C@H]1CCSc2ccccc21 53962560 PKJPDIQLFSHGPO-KRWDZBQOSA-N 335.432 4.593 0 40 EJAB Cc1ccc(OCc2nnc(SC/C=C/c3ccccc3)o2)cc1 58217962 ITWGZHXNQMIHMY-VMPITWQZSA-N 338.432 4.763 0 40 EJAB Cc1nc2ccc(Cl)cc2cc1C(=O)N1CCCc2ccccc21 58439455 BJXYIFPHICANDY-UHFFFAOYSA-N 336.822 4.790 0 40 EJAB Cc1ccccc1-c1noc(CNc2cccc(OC3CCCC3)c2)n1 84247702 DSWLUUDXEOLJCI-UHFFFAOYSA-N 349.434 4.979 0 40 EJAB C[C@@H]1C[C@@H]1c1ccc(CN(C)Cc2coc(-c3cccc(F)c3)n2)o1 84688943 LCNSCOUFSKTQAA-ACJLOTCBSA-N 340.398 4.829 0 40 EJAB CC(C)c1nn(C)cc1CNc1cccc(C2SCCS2)c1 89891133 CNLWIFLFKWWENH-UHFFFAOYSA-N 333.526 4.634 0 40 EJAB Cc1csc([C@H](NCc2cc(Cl)cc3cccnc23)C2CC2)n1 95418539 SBRJCLHFICGINB-QGZVFWFLSA-N 343.883 4.894 0 40 EJAB C[C@H](NCC1(c2ccccc2)CCCC1)c1ccc([S@](C)=O)cc1 95967221 DVLREDXKWJKQDJ-BXKMTCNYSA-N 341.520 4.587 0 40 EJAB CCCCN(CC)C(=O)c1cc2c(c3ccccc3n2C(C)C)n1C 96037354 WEPUGRVSAJJIHI-UHFFFAOYSA-N 339.483 4.976 0 40 EJAB Cc1ccc(C)c(O[C@H](C)C(=O)N[C@H](C)c2ccc(C)c(C)c2)c1 219073588 DQVWHBUUPRTCAY-QZTJIDSGSA-N 325.452 4.565 0 40 EJAB CC[C@@H](NC(=O)c1ccc(OC)c(C)c1)c1ccc2c(c1)CCCC2 223133089 BZROCUMROXJACH-HXUWFJFHSA-N 337.463 4.764 0 40 EJAB CCC1(CC)C[C@H](NC(=O)c2cccc(OC)c2)c2ccccc2O1 223160216 OUCSSUZBTCSBQJ-SFHVURJKSA-N 339.435 4.508 0 40 EJAB CCc1ccccc1NC(=O)[C@@H](CC)Oc1ccc2c(c1)CCCC2 223283125 GCVSVVSTLTUQNO-OAQYLSRUSA-N 337.463 4.924 0 40 EJAB Cc1ccc(NC(=O)c2cc3cccc(Cl)c3oc2=O)cc1Cl 226039563 NCIXRWWQEVSWPR-UHFFFAOYSA-N 348.185 4.661 0 40 EJAB O=C(Nc1cc(SC(F)(F)F)ccc1Cl)c1cccnc1 1473367 ZJYXLJKHGIMOED-UHFFFAOYSA-N 332.734 4.599 0 40 EJAB COc1cccc(/C=C/[C@]23N=C(O)CCN2c2ccccc2C3(C)C)c1 2412995 VKJDLOHKBOGKLK-SDNYCIMKSA-N 348.446 4.563 0 40 EJAB O=C(Nc1ccc(Cl)cc1)Nc1nc(-c2ccccc2O)cs1 3166648 BGUBOPOMVZPWHT-UHFFFAOYSA-N 345.811 4.813 0 40 EJAB Cc1sc2nc(SCC(C)C)n(-c3ccccc3)c(=O)c2c1C 3470869 VHWQHCPBOCDEAD-UHFFFAOYSA-N 344.505 4.812 0 40 EJAB CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)no1 3833983 LPEKZMUSADNNSA-UHFFFAOYSA-N 328.199 4.923 0 40 EJAB CSc1cc(-c2ccc(Cl)cc2)c(C(=O)NC(C)C)s1 4050421 QOJHXFVNFIJSMN-UHFFFAOYSA-N 325.886 4.929 0 40 EJAB CCCCC1CCC([C@@H](C)OC(=O)c2ccccc2C(=O)O)CC1 4659043 PVGZFRRNZJEOQV-QQFBHYJXSA-N 332.440 4.927 0 40 EJAB O=C(CSC(c1ccccc1)c1ccccc1)NCc1ccccc1 6337287 NTBZSEAYCMGNAD-UHFFFAOYSA-N 347.483 4.826 0 40 EJAB COc1ccc(-c2csc(NC(=O)C3CCCC3)n2)cc1Cl 6544958 IMRWHBIZFBGDNM-UHFFFAOYSA-N 336.844 4.601 0 40 EJAB COc1ccc(OC)c(NC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)c1 6839876 FPBXFNMWBBXMTF-SFHVURJKSA-N 347.842 4.736 0 40 EJAB COc1ccc2nc(/C=C/c3cc(Cl)c(O)c(OC)c3)sc2c1 8322235 SXKOJCZXSKOEHG-ZZXKWVIFSA-N 347.823 4.843 0 40 EJAB O=C(Nc1cccc(Cl)c1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 9365217 WOCSCTVVVSHYFW-MRXNPFEDSA-N 340.814 4.585 0 40 EJAB Cc1ccc(-c2onc3ccc(C(=O)NCc4cccs4)cc23)cc1 9581533 ZAKLRFRCTHAPAH-UHFFFAOYSA-N 348.427 4.795 0 40 EJAB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(CN2CCCC2)cc1 10336711 YTBPNGKKDMHHQL-UHFFFAOYSA-N 348.368 4.554 0 40 EJAB Cc1cc(NC(=O)[C@@H](SCc2ccccc2)c2ccccc2)no1 12580649 IMGZCUKTZBXODY-SFHVURJKSA-N 338.432 4.596 0 40 EJAB O=C(CCCc1nc2ccccc2s1)Nc1cccc(Cl)c1 12939223 HLJYIBQERNUQEL-UHFFFAOYSA-N 330.840 4.911 0 40 EJAB COc1ccc(C(=O)Nc2cccc(Oc3ccccc3)c2)c(F)c1 14202282 UZMORRHWKRMVQG-UHFFFAOYSA-N 337.350 4.879 0 40 EJAB COc1ccc(NC(=O)c2ccc(C)c(-n3cccc3)c2)cc1Cl 14283593 LSOUHQCTPXQYMH-UHFFFAOYSA-N 340.810 4.700 0 40 EJAB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)c1ccsc1 22662698 OOJIXPOXGWPPCH-UHFFFAOYSA-N 331.824 4.934 0 40 EJAB CC(=O)Nc1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2Cl)cc1 23606748 WKOAJRTWQSTKRE-RUDMXATFSA-N 349.217 4.604 0 40 EJAB Cc1ccc(CN(C)C(=O)c2ccc(-c3ccc(Cl)cc3)o2)o1 24274948 VQMCJDDZOHRFKB-UHFFFAOYSA-N 329.783 4.774 0 40 EJAB Cc1nn(-c2ccc(NC(=O)c3ccccc3F)cc2)c(C)c1Cl 32611500 UJHHCMQDKYXGHY-UHFFFAOYSA-N 343.789 4.534 0 40 EJAB Cc1ccc(-c2cc(C(F)F)nc(N3CCC(C)CC3)n2)cc1C 36613870 VZHAMWIBMOWGHZ-UHFFFAOYSA-N 331.410 4.934 0 40 EJAB CCc1ccccc1O[C@H](C)C(=O)N[C@@H](C)c1ccc(C)cc1C 38772897 IKHOHUSKDYNCIG-DLBZAZTESA-N 325.452 4.511 0 40 EJAB Cc1cccc(C(C)C)c1NC(=O)N1CCC[C@H](C(F)(F)F)C1 40526102 BKCACEMTMIQUFJ-ZDUSSCGKSA-N 328.378 4.925 0 40 EJAB C/C(=C\C(=O)NCc1ccc(-c2nc3ccccc3s2)o1)C1CC1 55099283 VUJGTSAOQBKJCH-ZRDIBKRKSA-N 338.432 4.529 0 40 EJAB CN(C(=O)c1cc(-c2ccccc2Cl)[nH]n1)c1ccccc1Cl 57412412 HDYCUONXXLMREY-UHFFFAOYSA-N 346.217 4.660 0 40 EJAB COc1ccc(-c2cnc(CN[C@@H](C)c3ccc(Cl)cc3)o2)cc1 60105726 XSINGSLCYKLSIT-ZDUSSCGKSA-N 342.826 4.854 0 40 EJAB COc1cccc(OCC(=O)Nc2ccccc2Oc2ccccc2)c1 60964752 CHWXUEIXZCJXJV-UHFFFAOYSA-N 349.386 4.505 0 40 EJAB OC1=Nc2c(cnn2C2CCCC2)[C@H](c2cccc(OC(F)F)c2)C1 71282937 UDXFGGOYANRGEE-AWEZNQCLSA-N 347.365 4.723 0 40 EJAB Cc1ccc(F)cc1NC(=S)Nc1ccccc1Br 71761594 VWJSSWVIOOXQFB-UHFFFAOYSA-N 339.233 4.706 0 40 EJAB CCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2CCC)cn1 72214680 FDHSGONMUSRFER-KRWDZBQOSA-N 347.503 4.780 0 40 EJAB O=C([C@@H]1C[C@H]1c1cccc(Cl)c1)N1CCCC[C@@H]1c1nccs1 72285869 LJDINNTZVDFUQD-ARFHVFGLSA-N 346.883 4.654 0 40 EJAB CCC[C@]1(C)CCCN(C(=O)c2csc(-c3ccccc3F)n2)C1 72303833 QCALUJCHFGFQCO-LJQANCHMSA-N 346.471 4.992 0 40 EJAB COc1ccc(C2=CCN([C@H](C)c3c(F)cccc3F)CC2)cc1 84647283 MBNYBFQUHOCONE-CQSZACIVSA-N 329.390 4.824 0 40 EJAB CC(C)Oc1ccccc1C[S@@](=O)Cc1csc(C(C)C)n1 96404392 PEZYWKRWZXQVNZ-QFIPXVFZSA-N 337.510 4.503 0 40 EJAB CC[C@H](Oc1ccc(C)cc1C)C(=O)N[C@@H](C)c1ccc(C)cc1 113970221 NYTUZZFPFQZACS-HKUYNNGSSA-N 325.452 4.647 0 40 EJAB CCc1ccc([C@@H](C)NC(=O)CSCc2ccc(C)cc2)cc1 224327021 WLAGZDHBOBZNNY-MRXNPFEDSA-N 327.493 4.668 0 40 EJAB CCCOCc1cc(C(=O)Nc2cc(C)cc(C)c2)ccc1OCC 224704638 MVBWZAYJHUBLQG-UHFFFAOYSA-N 341.451 4.881 0 40 EJAB S=C(NCCCc1ccccc1Cl)Nc1ccc(Cl)cc1 225539554 WMUJGXQTVKXQMF-UHFFFAOYSA-N 339.291 4.913 0 40 EJAB Cc1ccnc(NC(=S)N[C@H](c2ccc(C)cc2C)C(C)C)c1 225766492 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330.431 4.576 0 40 EJAB CN(Cc1ccc(C(C)(C)C)cc1)C(=O)c1cccc2ncccc12 22082868 ICBCHLRTDRCEEK-UHFFFAOYSA-N 332.447 4.805 0 40 EJAB CCc1ccccc1O[C@H](C)C(=O)N[C@H](CC(C)C)c1ccccc1 30856365 HAKCRJYOPQKFLR-YLJYHZDGSA-N 339.479 4.920 0 40 EJAB Cc1ccc(NCC(=O)Nc2ccc(C(C)(C)C)cc2)c(Cl)c1 33005480 UYACASQGRDPWHH-UHFFFAOYSA-N 330.859 4.997 0 40 EJAB Cc1ccc(-c2csc3c(=O)n(Cc4ccccc4C)cnc23)cc1 38486725 VQAPRVFIUMTMCR-UHFFFAOYSA-N 346.455 4.790 0 40 EJAB O=C(NCc1ccccc1Cl)c1cccnc1SC1CCCC1 40156611 QRFMWLBMUJTWFQ-UHFFFAOYSA-N 346.883 4.700 0 40 EJAB Cc1cccc(-c2nn3c(N4C[C@@H](C)C[C@H](C)C4)cc(C)nc3c2C)c1 40216806 IADMJONHLAAKAZ-HOTGVXAUSA-N 348.494 4.804 0 40 EJAB COc1ccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)c(C)c1 51355915 JUNFLHAMJIBUDI-UHFFFAOYSA-N 340.301 4.546 0 40 EJAB COc1ccc2c(-c3ccccc3)c(C(=O)Nc3ccccn3)oc2c1 55128430 PYIBXFYCKUNDKJ-UHFFFAOYSA-N 344.370 4.756 0 40 EJAB COc1ccccc1C[C@H]1CCCN1Cc1ncc(-c2ccccc2)o1 58434121 NZLJTRJNWRYOBR-LJQANCHMSA-N 348.446 4.557 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)COc2ccccc2C(C)C)cc1C 59351189 PZSXULFKQQPGMP-QGZVFWFLSA-N 325.452 4.683 0 40 EJAB Cc1cc(C)c2c(N)c(-c3nc4ccc(Cl)cc4o3)sc2n1 78546478 DGCYPTBILSVGJC-UHFFFAOYSA-N 329.812 4.957 0 40 EJAB CCc1ncc(CN[C@H](c2cccnc2)c2cc(C)cc(C)c2)s1 95409414 MCUZICQBRVGUBL-HXUWFJFHSA-N 337.492 4.597 0 40 EJAB C[C@@H](c1cccs1)S(=O)(=O)[C@H](C)c1ncc(-c2ccccc2)o1 96471560 CDJTYNLYLQAJBI-QWHCGFSZSA-N 347.461 4.640 0 40 EJAB Cc1ccc(O[C@@H](C)C(=O)N[C@H](CC(C)C)c2ccccc2)cc1C 219515160 ZMJFEKLMOCMNAV-GHTZIAJQSA-N 339.479 4.974 0 40 EJAB Cc1ccc(N2CCC(C(=O)Nc3ccc(C)c(Cl)c3)CC2)cc1 219852689 ZZVBEULKFQJDET-UHFFFAOYSA-N 342.870 4.812 0 40 EJAB CCc1ccc(O[C@@H](CC)C(=O)NCc2cccc3ccccc23)cc1 222892163 HRLIMXSXJWPDQF-QFIPXVFZSA-N 347.458 4.876 0 40 EJAB C[C@H](NC(=O)CCc1ccc(F)cc1)c1ccc2c(c1)CCCC2 223002213 PPDRZMQLMMCIHO-HNNXBMFYSA-N 325.427 4.515 0 40 EJAB Cc1cc(C)c([C@H](C)NC(=O)Cc2ccc(Cl)cc2F)cc1C 223496191 MWMOJKMWCNFKBA-AWEZNQCLSA-N 333.834 4.824 0 40 EJAB CCOc1ccc(C(=O)N[C@H](C)CC)cc1COc1ccccc1C 224369627 IZVKZCQGBIFBII-MRXNPFEDSA-N 341.451 4.501 0 40 EJAB COc1ccc(NC(=S)N[C@@H](C)c2ccc(C)cc2)cc1Cl 225468010 OYNMXKNFNZVUSL-LBPRGKRZSA-N 334.872 4.705 0 40 EJAB CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCC(C)C)c(C)c1 225740098 IEHPAUZZXNJWKR-FQEVSTJZSA-N 335.488 4.954 0 40 EJAB Cc1cc(C)nc(Nc2ccccc2C(=O)Nc2ccc(C)c(C)c2)n1 225917436 TVUMVWSSDVJLDV-UHFFFAOYSA-N 346.434 4.706 0 40 EJAB CC(C)c1ccc(C(=O)Nc2cc(/C=C/C(=O)O)ccc2Cl)cc1 226357162 QACUNSMFZJUYKN-ONNFQVAWSA-N 343.810 4.814 0 40 EJAB COc1ccccc1NC(=O)CN(C1CCCCC1)C1CCCCC1 408583848 XPFFECGDEIPLDJ-UHFFFAOYSA-N 344.499 4.601 0 40 EJAB FC1(F)CCC(Nc2nc(-c3ccccn3)nc3sccc23)CC1 1651710735 OWLIISFHIREIGL-UHFFFAOYSA-N 346.406 4.743 0 40 EJAB Cc1cc(Cl)ccc1OCC(=O)Nc1cccc2ccccc12 311199 XBKCWBMLURBKTH-UHFFFAOYSA-N 325.795 4.819 0 40 EJAB Cc1ccc(-n2c(COc3ccccc3)nnc2SC(C)C)cc1 422141 GRHLPGXNCGYWOM-UHFFFAOYSA-N 339.464 4.655 0 40 EJAB O=C(Nc1ccc(Cl)c(Cl)c1)OCc1cnc(Cl)s1 1392585 QRXZLGZTRRMYIQ-UHFFFAOYSA-N 337.615 4.852 0 40 EJAB CC1(C)COC(CCCC(=O)c2cc(Cl)ccc2Cl)OC1 2518144 OYQFVWVMDQPPSY-UHFFFAOYSA-N 331.239 4.746 0 40 EJAB O=S1(=O)c2cccc3cccc(c23)N1Cc1cccc2ccccc12 3321157 NIDIMPUXVRWYDP-UHFFFAOYSA-N 345.423 4.702 0 40 EJAB CC1(C)[C@H]2CC[C@H](CCOC(=O)COc3ccc(Cl)cc3)[C@@H]1C2 4416321 RTFSEUXOASYQQB-KEYYUXOJSA-N 336.859 4.724 0 40 EJAB CC(C)(C)c1ccc(-c2nnc3sc(Nc4ccccc4)nn23)cc1 6732848 YHCGAINKDOILGY-UHFFFAOYSA-N 349.463 4.894 0 40 EJAB CC[C@H](NC(=S)Nc1cc(C)ccc1C)c1ccc(OC)cc1 8085604 ISCFEGIWERFTDH-KRWDZBQOSA-N 328.481 4.750 0 40 EJAB CCOc1ccc(NC(=O)c2cc3cc(Cl)ccc3o2)cc1OC 8388109 IUFZJMBGUFPCST-UHFFFAOYSA-N 345.782 4.746 0 40 EJAB CCc1ccc(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cc1 9141952 YGBVTBMLSTWGEW-UHFFFAOYSA-N 344.414 4.754 0 40 EJAB Cc1ccccc1NC(=O)c1cc(-c2ccco2)nn1-c1ccccc1 12799990 CRFJKHUFDRFHNE-UHFFFAOYSA-N 343.386 4.693 0 40 EJAB COc1ccc(NC(=O)N(C2=NCCC2)c2cccc(C)c2C)cc1 17135615 PUHKYDKNNOGAHE-UHFFFAOYSA-N 337.423 4.543 0 40 EJAB Cc1cc([C@H]2CCCCCN2Cc2ccc(OC(C)C)cc2)on1 19120273 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CCCCOc1ccc(C2=NC3(CCC(C)CC3)N=C2S)cc1 67172379 VLGRTOLIZASJCF-UHFFFAOYSA-N 330.497 4.903 0 40 EJAB COc1ccc([C@@H]2CCCCCN2C(=O)[C@H]2C[C@@H]2c2ccco2)cc1 70004175 VRTWGQRWALVIPP-FHWLQOOXSA-N 339.435 4.536 0 40 EJAB C[C@@H]1C[C@H]1c1ccc(CN(C(=O)c2ccc(O)c(Cl)c2)C2CC2)o1 71811820 USWPIBHHGRRSJT-IAQYHMDHSA-N 345.826 4.567 0 40 EJAB FC(F)(F)c1nc(N[C@@H]2C[C@@H]2c2ccccc2)c2ccccc2n1 84525477 BUWRPUDKFVOJAV-UKRRQHHQSA-N 329.325 4.617 0 40 EJAB O=C(N[C@@H]1CCSc2ccc(F)cc21)[C@H]1CCCc2ccccc21 84581898 NEBNEJMPSSGBDS-FUHWJXTLSA-N 341.451 4.599 0 40 EJAB Cc1c(C(=O)Nc2cccnc2N(C)C)oc2c1ccc1ccccc12 95349986 HAWJXMIMSPOARW-UHFFFAOYSA-N 345.402 4.608 0 40 EJAB CCc1ncc(CN[C@@H](c2cccnc2)c2cc(C)cc(C)c2)s1 95409413 MCUZICQBRVGUBL-FQEVSTJZSA-N 337.492 4.597 0 40 EJAB Cc1cccc(CCCNC(=O)[C@@H](C)Oc2cccc3ccccc23)c1 219040235 CAAQBMMNWRZNSJ-GOSISDBHSA-N 347.458 4.665 0 40 EJAB C[C@@H]1CC(C)(C)N(C(=O)C(C)(C)Br)c2ccc(F)cc21 223238555 NSPZSCXRQXNPPY-SNVBAGLBSA-N 342.252 4.618 0 40 EJAB CCCc1ccc(OCCNC(=O)/C=C/c2ccccc2Cl)cc1 223377632 NLIZQNOGTVJDAS-JLHYYAGUSA-N 343.854 4.501 0 40 EJAB CCOc1ccc(C(=O)NCC(C)C)cc1CSc1ccccc1 224648819 YAOGXLVIEUIFLG-UHFFFAOYSA-N 343.492 4.763 0 40 EJAB CCOc1ccc(C(=O)Nc2ccccc2C)cc1COCC(C)C 224735480 BSZMASRUUGBSNZ-UHFFFAOYSA-N 341.451 4.819 0 40 EJAB O=C(Nc1ccccc1Br)c1ccc2c(c1)CCCC2 225625437 QWHRGAABWVVSOY-UHFFFAOYSA-N 330.225 4.580 0 40 EJAB CCO[C@@]1(C(=O)Nc2ccc(OCC(C)C)c(C)c2)CCC[C@@H](C)C1 225717530 IVYSWUXVEJZVJC-IERDGZPVSA-N 347.499 4.954 0 40 EJAB CCCCc1ccc(NC(=O)[C@H](CC)Oc2ccc(OC)cc2)cc1 408705370 DEODPXQCCMJHAA-FQEVSTJZSA-N 341.451 4.834 0 40 EJAB O=C(c1ccc(-c2ccccc2)c(F)c1)C(F)(F)Br 575357546 LMVBFUHVAMXIBD-UHFFFAOYSA-N 329.115 4.663 0 40 EJAB CC(C)Oc1ccccc1-c1ccc(C(=O)O)c(Cc2ccccc2)n1 585265159 HTGOHPNJHQUPJK-UHFFFAOYSA-N 347.414 4.825 0 40 EJAB CCOc1cc2c(cc1OCC)[C@@H](c1cc(C)c(C)cc1C)NCC2 34569 XMHWWXLACWWANG-JOCHJYFZSA-N 339.479 4.644 0 40 EJAB O=C1C=C(c2ccccc2)O[C@H](c2ccccc2)N1c1ccccc1 260529 CJVCVCPYIZVRLD-JOCHJYFZSA-N 327.383 4.790 0 40 EJAB CC(C)CC[C@]1(CCNC(=O)c2cccs2)CCOC(C)(C)C1 2444634 XYFWWPIWCWSQJD-IBGZPJMESA-N 337.529 4.880 0 40 EJAB c1ccc(C2=NO[C@H](Cn3c4ccccc4c4ccccc43)C2)cc1 5249791 NPVVJFAKHILPMK-KRWDZBQOSA-N 326.399 4.988 0 40 EJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NC12CC3CC(CC(C3)C1)C2 5557343 CYTUEESGQUATHL-UHFFFAOYSA-N 347.886 4.582 0 40 EJAB c1ccc(-c2ccc(C3=NN4COc5ccccc5[C@@H]4C3)cc2)cc1 5573248 IQYHFROLVAUMRO-NRFANRHFSA-N 326.399 4.855 0 40 EJAB CC[C@H](C)c1ccc(NCCC(=O)c2ccc3c(c2)OCO3)cc1 6026765 XMJNBNWOYODSSI-AWEZNQCLSA-N 325.408 4.614 0 40 EJAB CCOc1cc(C(=O)Nc2ccc(Cl)cc2Cl)ccc1OC 6351033 FFRWXGNTLSEVMQ-UHFFFAOYSA-N 340.206 4.653 0 40 EJAB S=C(c1ccccc1OCc1ccc(Cl)cc1)N1CCCC1 6473664 IHGNKKZXLLYCDS-UHFFFAOYSA-N 331.868 4.690 0 40 EJAB CCCCCNc1nc2c(-c3ccc(C)cc3)nnn2c2ccccc12 6738877 UKTMNDYKABSECW-UHFFFAOYSA-N 345.450 4.855 0 40 EJAB Cc1ccc(-n2ncc3c(Nc4cccc(Cl)c4)ncnc32)c(C)c1 6814075 DQXPZXWVIMUDAF-UHFFFAOYSA-N 349.825 4.829 0 40 EJAB COc1cccc(CNCc2ccc(C)cc2)c1OCc1ccccc1 7525186 MDPARPMNULHIMP-UHFFFAOYSA-N 347.458 4.872 0 40 EJAB O=C(NCc1ccc(Cl)cc1)c1ccc(-c2ccc(F)cc2)o1 9647597 KEYLEMSYIBLODK-UHFFFAOYSA-N 329.758 4.669 0 40 EJAB Cc1ccc(-c2ccsc2C(=O)N2CCc3sccc3C2)cc1 10924356 JZQRXDWXSVBDNS-UHFFFAOYSA-N 339.485 4.984 0 40 EJAB COc1ccc(-c2cc(=O)oc3cc4c(cc23)CCC(C)(C)O4)cc1 11865528 QWHVNRXOKUBOJV-UHFFFAOYSA-N 336.387 4.572 0 40 EJAB Cc1ccc(Cl)cc1NC(=O)[C@H](C)Nc1ccc2c(c1)CCC2 12765964 ZHCQCXBAWKGOPM-ZDUSSCGKSA-N 328.843 4.576 0 40 EJAB CCc1ccccc1NC(=S)N1c2ccc(F)cc2CC[C@H]1C 13829558 LAENKAXXAVDFDW-CYBMUJFWSA-N 328.456 4.926 0 40 EJAB Cc1ccccc1SCC(=O)Nc1ccc(-c2nccs2)cc1 14075171 MSHMECYIAVPZBX-UHFFFAOYSA-N 340.473 4.849 0 40 EJAB O=C(Nc1ccc(-c2nccs2)cc1)c1c(F)cccc1Cl 14576217 DUCMGLNOERLQMY-UHFFFAOYSA-N 332.787 4.855 0 40 EJAB Cc1ccc2oc(-c3ccccc3)c/c(=N\CCCCCC(=O)O)c2c1 19793146 AMFOLHGCUOUSNU-FCDQGJHFSA-N 349.430 4.954 0 40 EJAB O=C(c1cc(Br)ccc1F)N1CCC[C@H]1c1ccccc1 22328642 RLESQGQGWQMFDA-INIZCTEOSA-N 348.215 4.566 0 40 EJAB COCCCNC(=O)c1sc2cc(C(C)(C)C)ccc2c1Cl 26965886 UUGLCZXUIZCNCG-UHFFFAOYSA-N 339.888 4.619 0 40 EJAB C[C@H](NC(=O)c1c(F)cccc1Cl)c1ccc(C(F)(F)F)cc1 30477264 JPLYHHYVBHFLAY-VIFPVBQESA-N 345.723 4.989 0 40 EJAB Cc1cc(NC(=O)Nc2ccc(Cl)cc2)n(Cc2ccccc2)n1 32609936 WWSZAROLNKKMOX-UHFFFAOYSA-N 340.814 4.537 0 40 EJAB FC(F)(F)c1cccc(CSc2nnc(-c3ccco3)o2)c1 35586245 YFTLDTXGKGHRJV-UHFFFAOYSA-N 326.299 4.641 0 40 EJAB Cc1cccc(-c2nn3c(N4CCC(C)CC4)cc(C)nc3c2C)c1 40216787 DOJHVFPCKANTCT-UHFFFAOYSA-N 334.467 4.558 0 40 EJAB O=C(NCCSC1CCCC1)Nc1ccc2oc(C3CC3)nc2c1 44308222 CCOYXHBYAYYEBP-UHFFFAOYSA-N 345.468 4.503 0 40 EJAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)N[C@@H](C)c1ccc(F)c(F)c1 57293360 BTVBIDFWUVAWBZ-AAEUAGOBSA-N 342.389 4.677 0 40 EJAB Cc1c(Cl)cccc1NC(=O)c1cc(-c2ccccc2Cl)[nH]n1 57412356 XWVMHYXJGUXXFV-UHFFFAOYSA-N 346.217 4.944 0 40 EJAB CC(C)n1ncc2c1N=C(O)C[C@@H]2c1ccc(-c2ccc(F)cc2)o1 71280420 SNDBBTKADWFJHK-AWEZNQCLSA-N 339.370 4.987 0 40 EJAB Cc1ccc(C(=O)O[C@H](C)c2ccc3c4c(cccc24)CC3)cc1N 216850661 FRIZZVVPFDGVNE-CQSZACIVSA-N 331.415 4.747 0 40 EJAB CCOCc1cc(C(=O)Nc2cc(Cl)ccc2C)ccc1OCC 224695242 YGXDBPXZDXJAOF-UHFFFAOYSA-N 347.842 4.836 0 40 EJAB CCOc1ccccc1/C=C1\C(=O)Nc2cc(C(F)(F)F)ccc21 409108547 VDBRGTXDYRQFEL-ZROIWOOFSA-N 333.309 4.597 0 40 EJAB Cc1ccc(NC(=O)N2CC(n3c(C(C)C)nc4ccccc43)C2)cc1 1888962462 WHGBNTKPQSGMLC-UHFFFAOYSA-N 348.450 4.557 0 40 EJAB CN(C)Cc1ccccc1Sc1ccc(Br)s1 346606 WTNGDPKBAHYYGR-UHFFFAOYSA-N 328.300 4.723 0 40 EJAB O=C(Cc1nc(-c2ccccc2)cs1)Nc1ccc(Cl)cc1 1415156 OFTSTPQWNDSUQN-UHFFFAOYSA-N 328.824 4.645 0 40 EJAB Cc1ccc(C(=O)C[C@@H](SCC(=O)O)c2ccc(Cl)cc2)cc1 1896376 UTRLTXVZWADCSN-QGZVFWFLSA-N 348.851 4.780 0 40 EJAB Cc1c(OCc2ccc(F)cc2)ccc2c3c(c(=O)oc12)CCCC3 2551156 NUZCHECFIUFNFA-UHFFFAOYSA-N 338.378 4.698 0 40 EJAB O=C(Nc1cc(Cl)ccc1O)c1cc(-c2cccc(Cl)c2)on1 3908264 JGQZLVVSXDUMEN-UHFFFAOYSA-N 349.173 4.606 0 40 EJAB O=C(O)/C(=C\c1cccc(OCc2ccccc2)c1)c1cccs1 4206190 UFJARPROIBLYDR-AQTBWJFISA-N 336.412 4.952 0 40 EJAB CCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C 5509535 XRKFWLKYSYKIKT-KOVVAJLHSA-N 342.479 4.960 0 40 EJAB in-vitro Cc1cccnc1NC(=O)c1cc(-c2cccs2)nc2ccccc12 5936234 MECNIHZNFBFIBU-UHFFFAOYSA-N 345.427 4.919 0 40 EJAB Cc1ccc(NC(=O)CSc2cccc3cccc(Cl)c23)nc1 6590428 AGBCRUKLPNCPGA-UHFFFAOYSA-N 342.851 4.927 0 40 EJAB O=C(c1ccccc1F)N(Cc1ccco1)Cc1ccccc1Cl 6810635 QREKZVAUNBYHKA-UHFFFAOYSA-N 343.785 4.915 0 40 EJAB Cc1nc(SC[C@H]2CCCO2)c2cc(-c3ccccc3)sc2n1 7111326 VSGCLXAVICPYQB-CQSZACIVSA-N 342.489 4.938 0 40 EJAB Cc1ccc(Oc2ccc(N[C@H](C)C(=O)NC3CCCC3)cc2)cc1 7243367 UQCLNZYFGGWIOG-MRXNPFEDSA-N 338.451 4.647 0 40 EJAB O=C1c2ccccc2N[C@@H](c2ccc(Cl)c(Cl)c2)N1C1CC1 7885968 HWKXZBCZHXNEML-MRXNPFEDSA-N 333.218 4.722 0 40 EJAB Cc1ccccc1CNC(=O)CC(c1ccccc1)c1ccccc1 7977076 WRJWNIIKHCYCPZ-UHFFFAOYSA-N 329.443 4.833 0 40 EJAB Cc1ccccc1C(=O)NCc1ccc(-c2nc3ccccc3o2)cc1 9141113 ZHBFGOWUVWVPQI-UHFFFAOYSA-N 342.398 4.733 0 40 EJAB O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1ccc2c(c1)CCC2 12942251 PQXZMNXPUDPCEP-UHFFFAOYSA-N 337.753 4.682 0 40 EJAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)NC[C@H](C)c1ccccc1 15377096 AIQREUHYICVUCU-UONOGXRCSA-N 333.884 4.741 0 40 EJAB CN(Cc1cccc(F)c1)C(=O)c1ccccc1Nc1ccccc1 18080427 CYUQYLIZZYDUAC-UHFFFAOYSA-N 334.394 4.842 0 40 EJAB COc1ccc(N(Cc2cccs2)C(=O)c2ccc(C)cc2)cc1 20896890 NEPIKXCPCZEBRO-UHFFFAOYSA-N 337.444 4.912 0 40 EJAB CCC(CC)c1nnc(NC(=O)Cc2cccc3ccccc23)s1 26561695 GFSKJUZQBJLUHT-UHFFFAOYSA-N 339.464 4.776 0 40 EJAB CN(CC(=O)Nc1ccccc1C(C)(C)C)[C@H]1CCc2ccccc21 29488670 QKDKLXFPKREGNT-FQEVSTJZSA-N 336.479 4.542 0 40 EJAB O=C(CCOc1ccccc1)N[C@@H](c1cccs1)C1CCCC1 32398240 GXPZDTHQARBPIL-LJQANCHMSA-N 329.465 4.565 0 40 EJAB O=C(NCC1CCCCC1)c1cc(-c2ccncc2)nc2ccccc12 36147092 UIXNBQZFBYQNNF-UHFFFAOYSA-N 345.446 4.607 0 40 EJAB O=C(Cc1ccccc1Cl)NCC(c1ccccc1)c1ccccc1 36764537 XLCKQPNEUKLPBY-UHFFFAOYSA-N 349.861 4.831 0 40 EJAB O=C(Nc1cccc(Cl)c1)c1cc(-c2cccc(Cl)c2)no1 66089047 VQAJLIVZJGSCDR-UHFFFAOYSA-N 333.174 4.901 0 40 EJAB O=C(/C=C/c1ccsc1)N1CCCC[C@H]1c1nc2ccccc2o1 79111205 SRLRAIQREPPJCD-FDMDGMSGSA-N 338.432 4.656 0 40 EJAB Cc1ccc(-c2nnc([C@@H](C)Sc3nc(C)c(C)o3)o2)cc1C 89643329 PCBBXNBKTQXMCC-CYBMUJFWSA-N 329.425 4.812 0 40 EJAB Cc1c(Cl)cccc1NC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2 96586420 HASLEELZMPUBQA-AWEZNQCLSA-N 343.854 4.933 0 40 EJAB O=C(CC(C(=O)c1ccccc1)C(=O)c1ccccc1)c1ccccc1 104939294 NMLIJDSVLDFESZ-UHFFFAOYSA-N 342.394 4.641 0 40 EJAB O=C(CSC1CCCC1)N1CCCC[C@@H](c2ccc(F)cc2)C1 207960190 PTPOVCWPWBFEOB-MRXNPFEDSA-N 335.488 4.598 0 40 EJAB Nc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(Cl)c1 226272512 AWSVCMFGQLPITG-UHFFFAOYSA-N 349.139 4.847 0 40 EJAB CCCC[C@@H](C(=O)OC)N1c2c(OC)cccc2[C@H](C)CC1(C)C 260616181 GKBMYRAXIHBEER-ZBFHGGJFSA-N 333.472 4.519 0 40 EJAB CCOc1ccc(-n2c(C)nnc2SCc2cccc(C)c2)cc1 409103733 BODSFEJHJHHHMR-UHFFFAOYSA-N 339.464 4.575 0 40 EJAB CC(=O)c1cn([C@@H](C)C(=O)Nc2cccc(C)c2C)c2ccccc12 409195245 NUIFQSSHNDBLDA-HNNXBMFYSA-N 334.419 4.660 0 40 EJAB Clc1ccc(CSc2nnc(COc3ccccc3)o2)cc1 87604 ZROMCEXTEQYNDW-UHFFFAOYSA-N 332.812 4.594 0 40 EJAB Clc1ccc(-n2c(-c3ccco3)nc3nc4ccccc4nc32)cc1 508208 JWGPOXQZCDEDDH-UHFFFAOYSA-N 346.777 4.882 0 40 EJAB O=C(O)c1cnc(-c2ccccc2)nc1Sc1cccc(Cl)c1 1386398 GNIGLSTZDXVIAF-UHFFFAOYSA-N 342.807 4.646 0 40 EJAB Cc1ccc(C23C[C@@H]4C[C@@H](CC(C(=O)CNC(C)(C)C)(C4)C2)C3)cc1 1506842 ZDZWYBQALASASL-WVKNIADZSA-N 339.523 4.790 0 40 EJAB CCCCn1c(=S)[nH]c2c(c1=O)C1(CCCC1)Cc1ccccc1-2 2322339 UCNPQOVCIYYBEI-UHFFFAOYSA-N 340.492 4.741 0 40 EJAB Fc1c(F)c(CCc2ccccc2)c(F)c(F)c1Br 2529926 POMHZMVJDQRQMS-UHFFFAOYSA-N 333.122 4.791 0 40 EJAB CSCc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 3407237 KPGGZGNLRYMMFG-UHFFFAOYSA-N 341.354 4.701 0 40 EJAB COC(=O)C[C@@H](C)CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@H]2CC[C@@]1(C)O 3852089 GOECIRGMYVJNBS-LKDYQKJYSA-N 338.532 4.959 0 40 EJAB Cc1ccc(-c2ncc(Cl)cc2-c2ccc([S@@](C)=O)cc2)cn1 3986168 SLXXLDBGJKCVGS-QHCPKHFHSA-N 342.851 4.510 0 40 EJAB CC(C)C1=CC2=CC[C@H]3[C@](C)(CN)CCC[C@]3(C)[C@@H]2C[C@@H]1CCN 5022265 NMPPZQLCNJPHMH-WWOGRVQXSA-N 330.560 4.655 0 40 EJAB O=C(CSc1nc2ccccc2[nH]1)c1ccc(Cl)cc1Cl 5615256 DGDJFSSXMCWNLB-UHFFFAOYSA-N 337.231 4.845 0 40 EJAB O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccc(F)c(Cl)c1 6378381 ALHMGRAADZBPRL-UHFFFAOYSA-N 331.696 4.679 0 40 EJAB Cc1ccc(F)cc1NC(=O)COc1ccccc1-c1ccccc1 6390126 HBKWFSHYARNTTG-UHFFFAOYSA-N 335.378 4.819 0 40 EJAB COc1ccc(CN(C)Cc2ncc(-c3ccc(Cl)cc3)o2)cc1 7682603 SNDUTGAOKBOEOA-UHFFFAOYSA-N 342.826 4.636 0 40 EJAB Cc1ccc2cccc(OC(=O)/C=C/c3nc4ccccc4s3)c2n1 7783864 YQAKFGANTDDHFC-VAWYXSNFSA-N 346.411 4.772 0 40 EJAB C1=C(c2ccccc2)CCN(c2ncnc3c2oc2ccccc23)C1 8392394 VERJTFDLLAPKOK-UHFFFAOYSA-N 327.387 4.670 0 40 EJAB O=C(Nc1ccc(F)c(F)c1F)c1occc1COc1ccccc1 11370649 SKQIHJKHMLFXJP-UHFFFAOYSA-N 347.292 4.528 0 40 EJAB C/C(=C\c1ccccc1)CN1C[C@@H](c2cc[nH]n2)[C@H](c2ccccc2)C1 12128740 WFMYCLUBUXRSBR-YLFSKNCBSA-N 343.474 4.696 0 40 EJAB Cc1ccc2cc3c(nc2c1)OC(=O)N(Cc1ccccc1Cl)C3 12236774 PELCNBQLNXQEGI-UHFFFAOYSA-N 338.794 4.711 0 40 EJAB CCOc1ccccc1CN(Cc1cccnc1)Cc1cccs1 13569711 ZHDWNOJQHIAUIA-UHFFFAOYSA-N 338.476 4.744 0 40 EJAB Clc1ccc(-c2nc(CSc3nncs3)cs2)cc1 14093494 IGKMTTOUDVJXKF-UHFFFAOYSA-N 325.871 4.607 0 40 EJAB COc1ccc(C)cc1NC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1 14397425 WYPUPQNZGZBKMS-CQSZACIVSA-N 347.842 4.680 0 40 EJAB CCCCNC(C)(C)COC(=O)/C=C\c1ccc(OCCCC)cc1 17157477 DBWIJBFAIFEGRA-KAMYIIQDSA-N 347.499 4.590 0 40 EJAB O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccnc(Cl)c1 25387043 RPZFLQPDMDGEQI-UHFFFAOYSA-N 348.793 4.531 0 40 EJAB CCn1c(C)c(C)c2cc(C(=O)Nc3ccc(N(C)C)cc3)ccc21 28226665 TVXCVAZORJSZOA-UHFFFAOYSA-N 335.451 4.596 0 40 EJAB O=C(Cc1noc2ccccc12)Oc1ccc2oc3ccccc3c2c1 32747470 BEDCTPJISSZUCK-UHFFFAOYSA-N 343.338 4.875 0 40 EJAB CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(Cl)ccc21 38895767 COAPWBUTTSOWLG-IBGZPJMESA-N 333.834 4.595 0 40 EJAB in-vitro O=C(c1ccc(Cl)c(Cl)c1)N(Cc1ccsc1)C1CC1 44446596 GRNQQTZUNULOAO-UHFFFAOYSA-N 326.248 4.860 0 40 EJAB CCOc1ccccc1NC(=O)[C@@H](C)Oc1ccccc1C(C)C 44902131 MYJGKQSLLCVUTA-OAHLLOKOSA-N 327.424 4.615 0 40 EJAB CCCCOC(=O)c1ccc(NC(=O)Nc2cc(F)ccc2F)cc1 51354419 KUPVUABIIMIOCV-UHFFFAOYSA-N 348.349 4.566 0 40 EJAB O=C(/C=C/c1ccccn1)N(Cc1cccs1)c1ccc(F)cc1 58380298 HQZXGBNAZTYMTD-DHZHZOJOSA-N 338.407 4.529 0 40 EJAB Cc1cc(F)ccc1NC(=S)Nc1ccccc1Br 71761194 XUOWFOCVEMALOX-UHFFFAOYSA-N 339.233 4.706 0 40 EJAB Clc1cccc(-c2nccnc2[C@@H]2CCCN(C3CCCC3)C2)c1 72358324 ULEHLQNJCWGEKD-MRXNPFEDSA-N 341.886 4.919 0 40 EJAB CCCN(C(=O)c1cc2c(s1)CCC2)[C@@H]1CCc2ccccc2C1 84750330 CVWUTOAZGLZMQU-GOSISDBHSA-N 339.504 4.647 0 40 EJAB CC[C@](CNC(=O)c1cc2ccccc2s1)(OC)c1ccccc1 96391826 XPSOXNDIXRFECG-HXUWFJFHSA-N 339.460 4.583 0 40 EJAB CC(=O)O[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 118928562 WKVMGWGAHCQQRX-UUHAENJBSA-N 332.484 4.530 0 40 EJAB CCOc1ccc(NCc2nnc(-c3ccccc3)s2)c(C)c1 121182720 CUHSSLOHMCURFZ-UHFFFAOYSA-N 325.437 4.524 0 40 EJAB COc1cc(C)c([C@H](C)NC(=O)Cc2ccccc2F)cc1C(C)C 223387733 FABFMJOSNRCHJL-HNNXBMFYSA-N 343.442 4.686 0 40 EJAB C[C@@H](Oc1ccccc1)C(=O)Nc1ccc2c(c1)oc1ccccc12 224598379 JISQUIWVUWJJKP-CQSZACIVSA-N 331.371 4.992 0 40 EJAB Cc1cc(C)c(N(C)S(=O)(=O)c2ccc3ccccc3c2)c(C)c1 225059556 KQDXKBLJTYHTFN-UHFFFAOYSA-N 339.460 4.590 0 40 EJAB CC[C@@H]1CCCCN1CCCNC(=S)Nc1ccc(C(C)C)cc1 225580374 RUWKCMRVRGNFLA-LJQANCHMSA-N 347.572 4.751 0 40 EJAB Clc1c(-c2nnc([C@@H]3CC34CCOCC4)o2)sc2ccccc12 521393857 FVCHKLCRHZYURW-NSHDSACASA-N 346.839 4.889 0 40 EJAB C[C@H](CC(=O)c1ccc(OCCN2CCCC2)cc1)CC(C)(C)C 575358728 BWEHRWRKFSURLC-QGZVFWFLSA-N 331.500 4.806 0 40 EJAB CCOc1ccccc1NC(=O)COc1ccc([C@H](C)CC)cc1 505766 QTNHZKFUQAFOGJ-OAHLLOKOSA-N 327.424 4.616 0 40 EJAB Cc1cccc(NS(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)c1C 1431601 VAXHCLAPFAEVOT-UHFFFAOYSA-N 349.455 4.675 0 40 EJAB CC(=O)C1=NN(c2ccc(C)cc2)[C@H](c2cccs2)N1C(C)(C)C 2298875 NPPSJUDUDJNUJJ-GOSISDBHSA-N 341.480 4.578 0 40 EJAB O=C(c1ccc(F)cc1Cl)c1ccccc1CN1CCCCC1 2515523 GMUXAHGCQFFDFP-UHFFFAOYSA-N 331.818 4.696 0 40 EJAB CC[C@@H](C)c1ccccc1OC[C@H](O)CNC(C)(C)CC(C)(C)C 2694445 HVYPGZIRVLSJMJ-IAGOWNOFSA-N 335.532 4.744 0 40 EJAB O=C(CSc1cccc2cccc(Cl)c12)Nc1nccs1 3407140 MVLXBDBADPIWBM-UHFFFAOYSA-N 334.853 4.681 0 40 EJAB CCOC(=O)c1c(C)n(C)c2cc(-c3cccc(Cl)c3)c(O)cc12 4424909 NAUWZYHPSAIVAP-UHFFFAOYSA-N 343.810 4.689 0 40 EJAB Nc1c(C(=O)c2ccc(F)cc2)sc2nc(-c3ccccc3)ccc12 5338518 ZBSZCEYSPLPZFL-UHFFFAOYSA-N 348.402 4.916 0 40 EJAB CC(C)CC(=O)Nc1ccc(C(=O)COc2cccc(Cl)c2)cc1 5869084 IXEXIZGOTQGVHK-UHFFFAOYSA-N 345.826 4.586 0 40 EJAB O=C1C[C@H](c2cccc(Cl)c2)Cc2nc(Nc3ccccc3)ncc21 9969150 ISCGTTWWUJOEGP-CQSZACIVSA-N 349.821 4.786 0 40 EJAB COc1ccc(Oc2cc(NC(=O)CCC(C)C)ccc2OC)cc1 11294820 GKHFFYNMUHOECE-UHFFFAOYSA-N 343.423 4.871 0 40 EJAB CC(C)c1ccc(-c2nnc(NC(=O)Cc3ccsc3)s2)cc1 12784256 JJIZWWSBVRLGHJ-UHFFFAOYSA-N 343.477 4.571 0 40 EJAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1cccc(F)c1 14138863 QTMRJMBRYYKSGP-UHFFFAOYSA-N 344.773 4.705 0 40 EJAB Clc1ccc([C@@H]2[C@@H](NCc3ccncc3)[C@@H]3CCCC[C@H]32)cc1 19336287 WBTAPMSKJUVVQP-ZRNYENFQSA-N 326.871 4.797 0 40 EJAB Cc1ccc2onc(CC(=O)Nc3cc(Cl)cc(Cl)c3)c2c1 19910221 YNBNVCVZNJEOMF-UHFFFAOYSA-N 335.190 4.624 0 40 EJAB Cc1nc(-c2cccs2)c(CCC(=O)Nc2ccc(F)cc2)s1 19933155 ZUGKTIPULSSFTA-UHFFFAOYSA-N 346.452 4.890 0 40 EJAB CC[C@H](NC(=O)CCSc1ccc(C)cc1)c1ccc(OC)cc1 20487368 VZIFPEOTJZHJRY-IBGZPJMESA-N 343.492 4.753 0 40 EJAB Cc1ccc(Cl)cc1NC(=O)c1cc(-c2ccccc2Cl)[nH]n1 25042786 XPUXDIIIERHFRU-UHFFFAOYSA-N 346.217 4.944 0 40 EJAB Cc1nc(Nc2ccc(F)cc2F)sc1C(=O)Nc1ccccc1 25061238 OFABQKVBMGGNFB-UHFFFAOYSA-N 345.374 4.726 0 40 EJAB S=C(Nc1ccc2ncncc2c1)Nc1cccc2ccccc12 33783258 LEIVJUWFJCZBGB-UHFFFAOYSA-N 330.416 4.592 0 40 EJAB COc1ccc([C@@H](C)N[C@@H](C)c2ccc(C)o2)cc1Br 37105977 DHYHUZYNEYWXPK-NEPJUHHUSA-N 338.245 4.771 0 40 EJAB Clc1ccc(C2=N[C@@H]3N=C(c4ccccc4)S[C@@H]3S2)cc1 41097528 APJAYBKWRXQIPW-XJKSGUPXSA-N 330.865 4.679 0 40 EJAB CC[C@H](Oc1ccccc1Cl)C(=O)NC12CC3CC(CC(C3)C1)C2 44848876 WQBCJHDHULSSGN-SOZFHFLDSA-N 347.886 4.582 0 40 EJAB CCCCOc1ccc2oc(C)c(C(=O)NC3CCCCC3)c2c1 46086074 ALDUNTIOODHVDL-UHFFFAOYSA-N 329.440 4.983 0 40 EJAB Cc1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)cc1Cl 57412675 PBAUATTUDDSYLH-UHFFFAOYSA-N 346.217 4.944 0 40 EJAB O=[S@@](Cc1nc2ccccc2s1)Cc1ccc(F)cc1Cl 69350801 LLZZPFUEQXZIPE-NRFANRHFSA-N 339.844 4.538 0 40 EJAB Cc1ccc(NC(=S)Nc2cccc(CN3CCCC3)c2)c(F)c1 71760551 LIKLEYUKFRKNLN-UHFFFAOYSA-N 343.471 4.539 0 40 EJAB CC(C)(C)Cc1nnc(-c2cnc3onc(C4CCCC4)c3c2)o1 71890736 RUBFJGCDGPSXAS-UHFFFAOYSA-N 326.400 4.519 0 40 EJAB CC(C)CSc1nnc(COc2ccc(Cl)cc2Cl)o1 72750154 WCQGGCLTGDYPIA-UHFFFAOYSA-N 333.240 4.704 0 40 EJAB FC(F)(F)c1cc(NCCCN2CCCCC2)c2ccccc2n1 89866642 JLPKEXSSFUSBHW-UHFFFAOYSA-N 337.389 4.542 0 40 EJAB CC(=O)[C@H](C)CCCCC(=O)N[C@@H](C)c1ccc2ccccc2c1 89895368 QQUVDOAUSBRFKP-CVEARBPZSA-N 325.452 4.803 0 40 EJAB CC(C)Oc1ccccc1C[S@](=O)Cc1csc(C(C)C)n1 96404391 PEZYWKRWZXQVNZ-JOCHJYFZSA-N 337.510 4.503 0 40 EJAB Cc1ccccc1Cc1nnc(CN[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)o1 108382318 HDQQIMLHXLPZFI-ZYSHUDEJSA-N 341.499 4.519 0 40 EJAB Cc1ccc(O[C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1 222957567 KFZLNERNBYHTCF-IAGOWNOFSA-N 337.463 4.519 0 40 EJAB Cc1ccccc1O[C@H](C)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 222967624 WVNVUZSQMRVXBZ-IAGOWNOFSA-N 337.463 4.519 0 40 EJAB Cc1ccc(C)c(O[C@@H](C)C(=O)N[C@H](C)c2cc(C)c(C)cc2C)c1 223454598 KOPHRMDDCOOXPX-MOPGFXCFSA-N 339.479 4.873 0 40 EJAB CCCNC(=O)Nc1cc(Cl)ccc1Oc1cccc(OC)c1 225775390 BDFGCFOHDFYATG-UHFFFAOYSA-N 334.803 4.672 0 40 EJAB Cc1ccc(C)c([C@H](NCc2cc(C)[nH]n2)c2ccccc2Cl)c1 608063262 DKJIYTNSAHIZEH-HXUWFJFHSA-N 339.870 4.868 0 40 EJAB O=C(Nc1ccc(C(=O)c2ccccc2)cc1)c1cccc(Cl)c1 364783 NYPQZQMIJGYTGR-UHFFFAOYSA-N 335.790 4.823 0 40 EJAB Cn1c(-c2ccc(-c3ccccc3)cc2)cnc1NCc1cccnc1 819127 BJEDJKIYEQKQBV-UHFFFAOYSA-N 340.430 4.761 0 40 EJAB CCN1C(=O)S/C(=C\c2ccccc2Sc2ccccc2)C1=O 982452 QXFRMZNALHKDJG-VBKFSLOCSA-N 341.457 4.894 0 40 EJAB COc1ccc(NC(=O)c2ccc(-c3cccs3)cc2)cc1OC 1397026 AVLBAZSDBQBTPS-UHFFFAOYSA-N 339.416 4.685 0 40 EJAB CC[C@@H](C)c1ccc([C@@H](CC)N2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1 2733151 WKKACERQTVEMHY-DQEVTTJGSA-N 327.468 4.826 0 40 EJAB CCOC(=O)c1sc(NC(=O)Nc2cccc(Cl)c2)cc1C 3225685 WDHFBYKXRZMEJO-UHFFFAOYSA-N 338.816 4.531 0 40 EJAB aggregator CCCSc1nnc(NC(=O)c2ccc(C(C)(C)C)cc2)s1 4086620 BRPGNMOYEBAAJQ-UHFFFAOYSA-N 335.498 4.590 0 40 EJAB Cc1nc(SCc2ccccn2)c2c3c(sc2n1)C[C@@H](C)CC3 4847503 HQORDQWUKURWQC-NSHDSACASA-N 341.505 4.812 0 40 EJAB C[C@H](C[C@]1(c2ccccc2)CCOC(C)(C)C1)NCc1ccco1 5350367 JARGVZLPOWSQTB-DYESRHJHSA-N 327.468 4.675 0 40 EJAB CN(Cc1c(F)cccc1Cl)C(=O)Cc1cccc2ccccc12 6308787 IBDLHGWFCWQHKG-UHFFFAOYSA-N 341.813 4.833 0 40 EJAB Cc1cccc(NS(=O)(=O)c2c(C)cc(C(C)(C)C)cc2C)c1 6623262 PMXJIANMHVKGNK-UHFFFAOYSA-N 331.481 4.710 0 40 EJAB COc1ccccc1CCC(=O)Nc1ccccc1Cc1ccccc1 6648732 IRBVRYYIQISRHI-UHFFFAOYSA-N 345.442 4.857 0 40 EJAB CC[C@H](C)Nc1nc(-c2cccnc2)nc2sc3c(c12)CCCC3 7004698 GTZTUIPZCQQTPK-LBPRGKRZSA-N 338.480 4.843 0 40 EJAB CC(=O)c1ccc(NC(=O)c2cccc(OCc3ccccc3)c2)cc1 7668590 JSIBDWIIPLYOTM-UHFFFAOYSA-N 345.398 4.721 0 40 EJAB CCc1cccc2c(O)c(CN(CC)Cc3ccccc3)c(C)nc12 8926973 NYCGFWPKWIWKNK-UHFFFAOYSA-N 334.463 4.833 0 40 EJAB Cc1cc(C)c(NC(=O)c2cc3c(nc4ccccn43)s2)c(C)c1 12546432 CVXCRTQAZQYMJL-UHFFFAOYSA-N 335.432 4.727 0 40 EJAB CN(Cc1cccs1)C(=O)c1ccc(Oc2ccc(F)cc2)cc1 12904936 OHZZVUUHDHHAFP-UHFFFAOYSA-N 341.407 4.952 0 40 EJAB Cc1nc(-c2ccsc2)sc1C(=O)N[C@@H](C)c1ccccc1 12977323 UFSMXCYBKSTGLA-NSHDSACASA-N 328.462 4.671 0 40 EJAB O=C(Nc1ccccc1Oc1ccccc1)c1ccc2c(c1)OCCO2 13582487 DFYSTUPPFYKTTC-UHFFFAOYSA-N 347.370 4.502 0 40 EJAB C[C@@H]1Cc2ccccc2N1C(=O)/C=C/c1ccc(Cl)cc1Cl 13668095 OXLUBBNXRRZOTE-YPUOHESYSA-N 332.230 4.984 0 40 EJAB CCCc1nc2c(-c3ccc(Cl)cc3)c(C)nn2c(O)c1Cl 18222805 YEGGRTILEPYZID-UHFFFAOYSA-N 336.222 4.670 0 40 EJAB c1ccc(CN2CCN(Cc3ccccc3)[C@H](c3ccccc3)C2)cc1 19366319 GENVHINXIOAJEH-DEOSSOPVSA-N 342.486 4.746 0 40 EJAB CCc1ccccc1O[C@H](C)C(=O)N[C@H](C)c1cc(C)ccc1C 20044391 ZMHSWGKZKLJLIV-IAGOWNOFSA-N 325.452 4.511 0 40 EJAB CCCOc1ccc2ccccc2c1CN(C)C(=O)c1occc1C 21936787 BCMFYGLCNFUZCC-UHFFFAOYSA-N 337.419 4.802 0 40 EJAB CCOc1c(Cl)cc(Cl)cc1CNCCc1ccccc1F 22074746 CQKCJBITVFJIKF-UHFFFAOYSA-N 342.241 4.864 0 40 EJAB CCCCCNC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 25704494 DDCWXXHTJHSPDS-UHFFFAOYSA-N 334.419 4.929 0 40 EJAB Cc1ccc(CN(C)C(=O)CSCc2cc(C)cc(C)c2)cc1 44880806 GNBSOSKBEDNXHG-UHFFFAOYSA-N 327.493 4.504 0 40 EJAB COc1ccc([C@@H](CC(C)C)NC(=O)c2ccccc2SC)cc1 44950140 CTESHGRFUCTKMU-GOSISDBHSA-N 343.492 4.934 0 40 EJAB Clc1ccc(-c2nnc([C@H]3CCN(CC4CCCCC4)C3)o2)cc1 49169410 AILXVOLVGVITRG-INIZCTEOSA-N 345.874 4.760 0 40 EJAB biogenic,in-vitro CSc1cccc(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)c1 57412234 NOMNJUGAZYSLFC-UHFFFAOYSA-N 343.839 4.704 0 40 EJAB CS[C@H](C)C(=O)Nc1ccc(Sc2nc(C)cs2)cc1C 58167861 YKGDLDLTQPUKIA-LLVKDONJSA-N 338.523 4.601 0 40 EJAB CCc1ccc([C@@H](C)NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 78458639 RVYDBGIOLOSCSB-CQSZACIVSA-N 345.870 4.937 0 40 EJAB Cc1c([C@@H](C)N[C@@H](C)c2ccncc2)cnn1-c1cccc(Cl)c1 89544947 JPUFRYKDVHSEAH-UONOGXRCSA-N 340.858 4.641 0 40 EJAB Cc1cc(-c2cc(C(=O)OC3CCCC3)c3c(C)noc3n2)c(C)o1 95348648 DEIZSKOFJMJCER-UHFFFAOYSA-N 340.379 4.507 0 40 EJAB CC[C@@H](C)c1ccc(NC(=O)COC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)cc1 102151286 PMFSHDFIRODOCD-FZCLSBEQSA-N 343.467 4.508 0 40 EJAB CC(C)(C)c1ccc(-c2nc3cc(C(=O)O)cc(Cl)c3[nH]2)cc1 216922888 NQVRKVVVVJTYNN-UHFFFAOYSA-N 328.799 4.879 0 40 EJAB CC(C)C[C@@H](NC(=O)CSCc1ccccc1F)c1ccccc1 222709975 UNDRFXGGIZOAAF-LJQANCHMSA-N 345.483 4.963 0 40 EJAB Cc1ccc(C(C)C)c(OCC(=O)NCc2cccc3ccccc23)c1 222893296 ZPNFEKQIYYKXQH-UHFFFAOYSA-N 347.458 4.967 0 40 EJAB CO[C@]1(C(=O)Nc2ccc(OC3CCCC3)c(C)c2)CCC[C@@H](C)C1 225637784 YWPOWWWMNNAXMW-QVKFZJNVSA-N 345.483 4.850 0 40 EJAB CCOc1ccc(NC(=O)[C@@]2(OC)CCC[C@@H](C)C2)c2ccccc12 225809784 HPEOSIVNJNKSCX-QVKFZJNVSA-N 341.451 4.772 0 40 EJAB Cc1ccc(NC(=S)NC2(c3ccncc3)CCCC2)cc1Cl 225852689 GMFBNPABTNDYIW-UHFFFAOYSA-N 345.899 4.799 0 40 EJAB CCOc1ccccc1[C@H]1SCC(=O)N1c1ccc(Cl)cc1 408556997 LJWGUYHATWHPNV-QGZVFWFLSA-N 333.840 4.517 0 40 EJAB Cc1cccc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c1 409237275 JEQCGDJIUSNHPO-MHWRWJLKSA-N 343.835 4.885 0 40 EJAB O=C(c1cc(C(F)(F)F)ccc1Cl)C(Cl)(Cl)Cl 575360292 CAWNRECNLMXOPK-UHFFFAOYSA-N 325.928 4.912 0 40 EJAB COc1ccc2nc(Nc3nc4ccc(OC)cc4s3)sc2c1 175725 HCSHGAKBJZYRTE-UHFFFAOYSA-N 343.433 4.667 0 40 EJAB COc1ccccc1/C=C/C(=O)Oc1ccccc1-c1ccccc1 1782482 UVNWHOGQKWIDAT-FOCLMDBBSA-N 330.383 4.981 0 40 EJAB C[C@@H]1CC(C)(C)N2C(=O)[C@@]3(Nc4ccccc4S3)c3cccc1c32 2352456 BFQJGJYTDOYXDQ-MPBGBICISA-N 336.460 4.690 0 40 EJAB CC(C)(C)C1CCC(C(=O)OCC(=O)c2ccc(Cl)s2)CC1 3229261 YFSVRSTYCZTDDT-UHFFFAOYSA-N 342.888 4.980 0 40 EJAB CC(=O)c1cccc(OCC(=O)Nc2ccc(-c3ccccc3)cc2)c1 3609955 DFZVVAIIGQRNOK-UHFFFAOYSA-N 345.398 4.574 0 40 EJAB O=C(Nc1nc2c(ccc3ccccc32)s1)c1ccc(F)cc1F 5578427 RFLHOUZCFTYIKQ-UHFFFAOYSA-N 340.354 4.980 0 40 EJAB Cc1sc(-c2cnn(-c3ccccc3)c2N)nc1-c1ccccc1 6934829 XUIBVKHMBAFGNS-UHFFFAOYSA-N 332.432 4.553 0 40 EJAB COc1ccc(CN(Cc2cc(-c3cccs3)on2)C2CC2)cc1 7662290 GTGUEQZIWYLKTB-UHFFFAOYSA-N 340.448 4.576 0 40 EJAB CCCCOc1ccc(C(=O)Nc2ccc(C)cc2C)cc1OC 8208038 KMUYUSQBUMNXAR-UHFFFAOYSA-N 327.424 4.743 0 40 EJAB O=C(COc1ccc(Cl)cc1Cc1ccccc1)c1ccc[nH]1 8428858 HRGVSDMMJUKUHE-UHFFFAOYSA-N 325.795 4.521 0 40 EJAB Cc1cccc(/N=c2\scc(-c3cccs3)n2CCCO)c1C 10187305 JXWXZBHSIUBYEU-HNENSFHCSA-N 344.505 4.510 0 40 EJAB CCOc1cccc(NC(=O)c2cccc(OCc3ccccc3)c2)c1 10472972 TZWNWSDMGBFNMF-UHFFFAOYSA-N 347.414 4.917 0 40 EJAB O=C(Cc1csc(-c2ccc(Cl)cc2)n1)OCc1ccccc1 11168172 YUWBOUJXRQIRBE-UHFFFAOYSA-N 343.835 4.749 0 40 EJAB O=C(CCc1ccsc1)Nc1ccc2c(c1)OC1(CCCCC1)O2 12792061 SWRVZXOVGOCLLN-UHFFFAOYSA-N 343.448 4.751 0 40 EJAB COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)Oc1cccc(C)c1C 15366688 SLLBBNGKVPOPLP-CQSZACIVSA-N 347.842 4.680 0 40 EJAB O=C(CCCc1c[nH]c2ccccc12)Nc1cnc2ccccc2c1 21146244 NGHPOMZJQGPMHF-UHFFFAOYSA-N 329.403 4.678 0 40 EJAB CCCCC[C@H](C)NC(=O)Cc1csc(-c2cccc(F)c2)n1 29432261 NVOCKRGNCORKAK-ZDUSSCGKSA-N 334.460 4.577 0 40 EJAB Cc1nc(C)c(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)s1 32678712 PGAOXYDSAWWOEZ-UHFFFAOYSA-N 348.431 4.556 0 40 EJAB Cc1ccccc1[C@H]1CCCN1S(=O)(=O)c1ccc(C(C)C)cc1 36620337 MVOFHGLBNMSBCZ-HXUWFJFHSA-N 343.492 4.644 0 40 EJAB O=C(c1cccc(Cl)c1)N(Cc1ccsc1)CC(F)(F)F 44447487 IGWNREROKSZICA-UHFFFAOYSA-N 333.762 4.606 0 40 EJAB CCc1ccc(O[C@H](CC)C(=O)N[C@@H](C)c2cc(C)ccc2C)cc1 59351538 PNYFQDZILXGCMZ-LAUBAEHRSA-N 339.479 4.901 0 40 EJAB O=C(CSc1nc2ccccc2s1)Nc1cccc2[nH]ccc12 65610940 QAJZJOYNBRSNHI-UHFFFAOYSA-N 339.445 4.508 0 40 EJAB O=[S@@](Cc1coc(-c2cccs2)n1)Cc1ccccc1Cl 69485592 SRUZZVUZSVIRIL-NRFANRHFSA-N 337.853 4.505 0 40 EJAB O=C(CSc1ccncc1)N(C1CCCCC1)C1CCCCC1 84615173 ZCHAATVCNRWTTG-UHFFFAOYSA-N 332.513 4.668 0 40 EJAB CCN(C(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F)C1CCCC1 84761144 XYLWGCKMJJCDNB-CABCVRRESA-N 325.374 4.600 0 40 EJAB CSc1ccccc1NC(=O)c1cccc(Oc2ccccn2)c1 96122641 XYOUXCTYBZXCCY-UHFFFAOYSA-N 336.416 4.848 0 40 EJAB Cc1cc(O)ccc1-c1nc(-c2ccc(Oc3ccccc3)nc2)no1 97102681 BRHBRTLLKQGQKG-UHFFFAOYSA-N 345.358 4.605 0 40 EJAB O=c1c(Sc2ccccc2)c(O)c2ccccc2n1-c1ccccc1 100292802 PSJYETKZVFAKCO-UHFFFAOYSA-N 345.423 4.848 0 40 EJAB COc1cc(Cc2nc3cc(C(C)(C)C)ccc3o2)cc(OC)c1 199797690 UJAXOACOQWXNAM-UHFFFAOYSA-N 325.408 4.733 0 40 EJAB CC(C)(C)c1ccc(OCC(=O)NCCSC2CCCCC2)cc1 218929208 DKIQXVGYQIWZFV-UHFFFAOYSA-N 349.540 4.545 0 40 EJAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccc(F)cc2F)c1 222617416 YZKZIDIFEXAKHU-CYBMUJFWSA-N 333.378 4.803 0 40 EJAB CCCCOCc1cc(C(=O)N[C@@H](C)c2ccccc2)ccc1OC 224434501 CMBPUGWZXSZOHC-INIZCTEOSA-N 341.451 4.503 0 40 EJAB CCOc1ccc(C(=O)Nc2ccccc2F)cc1COCC(C)C 224736440 GFXSXWKDIHYGQZ-UHFFFAOYSA-N 345.414 4.649 0 40 EJAB Cc1cccc(-c2c(C(F)(F)F)nn(-c3cccc(C)c3)c2N)c1 225178489 JESDQSIWHKMYAO-UHFFFAOYSA-N 331.341 4.757 0 40 EJAB CCCCOc1ccc(NC(=O)[C@@]2(OCCC)CCC[C@H](C)C2)cn1 225910708 SPASZNDRDMZJKO-OXJNMPFZSA-N 348.487 4.575 0 40 EJAB Cc1noc(C2CC2)c1NC(=O)N1CC2(CCCCC2)[C@@H]1C(C)C 573211813 WLZXUMVLEXSMGN-KRWDZBQOSA-N 331.460 4.683 0 40 EJAB O=C(NCc1ccc(Cl)cc1)NCc1ccc(-c2cccs2)o1 575608724 KIPCGIHVIGKWOS-UHFFFAOYSA-N 346.839 4.661 0 40 EJAB CCn1c(SCc2cccc(C)c2)nc2sc(C)c(C)c2c1=O 532064 AFGWBKRGOYMMBC-UHFFFAOYSA-N 344.505 4.695 0 40 EJAB O=C(CCN1CC[C@@H](c2ccccc2)C1)c1ccc2ccccc2c1 1176787 ATIWHAUCBKCFSB-JOCHJYFZSA-N 329.443 4.902 0 40 EJAB CC[C@]1(C)Cc2ccccc2-c2[nH]c(=S)n(-c3ccccc3)c(=O)c21 1240551 QLLJNTJSHQFULX-OAQYLSRUSA-N 348.471 4.786 0 40 EJAB CCC(=O)Oc1cc(C(C)(C)C)c(OC(=O)CC)cc1C(C)(C)C 1600081 SOWCJBZBSXHVNE-UHFFFAOYSA-N 334.456 4.912 0 40 EJAB Nc1nccc(-c2ccc(Oc3ccc(Cl)cc3)cc2Cl)n1 2508448 ALJPJGVHXSVUKL-UHFFFAOYSA-N 332.190 4.825 0 40 EJAB CCC[C@@H](C)NCC(=O)Nc1ccccc1Sc1ccccc1 2647531 PMCZMBQUUFTLEH-OAHLLOKOSA-N 328.481 4.555 0 40 EJAB CC1CCN(C(=O)[C@@H](Sc2ccccc2)c2ccccc2)CC1 2734345 ALWIQVNDADMOPG-IBGZPJMESA-N 325.477 4.779 0 40 EJAB CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)CC 3273212 UHILERJLXIGJKE-UHFFFAOYSA-N 337.828 4.594 0 40 EJAB CCN(C(=S)NC(=O)C1CCCCC1)c1cccc2ccccc12 3293259 VMBUKIILLPQLFB-UHFFFAOYSA-N 340.492 4.648 0 40 EJAB CCSc1nnc(-c2ccccc2OC)n1-c1ccc(Cl)cc1 3401918 CPJMTZKJPHFUHM-UHFFFAOYSA-N 345.855 4.708 0 40 EJAB 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C[C@H](Nc1ccc(Oc2ccccc2)cc1)C(=O)NC1CCCCC1 6784370 FOXFBBQFGUURJQ-INIZCTEOSA-N 338.451 4.728 0 40 EJAB O=C(Cc1c(-c2cccs2)[nH]c2ccccc12)Nc1nccs1 9950861 YUEQDPOXTQBZAN-UHFFFAOYSA-N 339.445 4.534 0 40 EJAB Cc1ccc2cc(CNc3cccc4ccccc34)c(=O)[nH]c2c1C 12492990 XLZMIEIGIPGYBE-UHFFFAOYSA-N 328.415 4.910 0 40 EJAB COc1cc(C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)ccc1C 12892263 JBOZAMZEYJAHGI-SFHVURJKSA-N 329.827 4.538 0 40 EJAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1cccc2cccnc12 14136691 JYTQCXYMBHMKSF-UHFFFAOYSA-N 345.427 4.919 0 40 EJAB O=C1S/C(=C/c2cccc(Cl)c2)C(=O)N1Cc1ccccc1 15019181 QMJIEMBQOIWVBB-XNTDXEJSSA-N 329.808 4.577 0 40 EJAB CCC(CC)C(=O)N1N=C(c2cccs2)C[C@@H]1c1ccccc1 19815968 KDYFCSCQTJXQLI-QGZVFWFLSA-N 326.465 4.862 0 40 EJAB C[C@H](NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1F 23544184 LSEQSOFTLIGSQQ-INIZCTEOSA-N 333.406 4.835 0 40 EJAB N=C(N)c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 26896770 ZKFKMIMWRGYSPM-UHFFFAOYSA-N 332.247 4.675 0 40 EJAB CCCC(=O)Nc1ccc(-c2nc(-c3ccc(Cl)cc3)no2)cc1 32623615 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O=c1[nH]c2c(s1)[C@H](/C=C/c1ccccc1)[C@H]1[C@H]3CC[C@H](C3)[C@H]1S2 32594758 VGFYUYWOQJIDBW-YTDBTRHPSA-N 341.501 4.754 0 40 EJAB CCc1ccc(NC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)cc1 38835376 XRNBRQNVZWSCES-QGZVFWFLSA-N 336.479 4.733 0 40 EJAB O=C(O)[C@@H](Oc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1 38846716 DDTQLPXXNHLBAB-ZDUSSCGKSA-N 330.689 4.564 0 40 EJAB in-vitro Cc1ccccc1NC(=O)N[C@H](C)c1ccccc1Br 43135500 WZGFAHIJGHZYCT-GFCCVEGCSA-N 333.229 4.640 0 40 EJAB Cc1cc(NC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)ccc1Cl 57412159 NGPZPSGNYYKTME-UHFFFAOYSA-N 346.217 4.944 0 40 EJAB Fc1ccccc1-c1cccc([C@@H]2CCCN(Cc3cccnc3)C2)n1 72348836 YKNMOIKBNAFJTO-GOSISDBHSA-N 347.437 4.662 0 40 EJAB COc1cc(CSCc2nnc(C(C)(C)C)o2)ccc1SC 95412912 NUHQXWRJLWOPLD-UHFFFAOYSA-N 338.498 4.531 0 40 EJAB Cc1cc(C(=O)Nc2ccncc2F)sc1-c1ccc(F)cc1 123187474 POPCHVGTFVLLHS-UHFFFAOYSA-N 330.359 4.649 0 40 EJAB CCc1ccccc1O[C@@H](C)C(=O)N[C@@H](CC)c1ccc(C)cc1C 219295857 KDHWAMPUQSTENV-PXNSSMCTSA-N 339.479 4.901 0 40 EJAB 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O=C(CCc1ccco1)N[C@H](c1ccccc1)c1cc2ccccc2o1 36625860 XBXYAVTVKXONKV-JOCHJYFZSA-N 345.398 4.864 0 40 EJAB CC(C)[C@H](NC(=O)Nc1cccc2cnccc12)c1cccs1 53998257 MFZJUXAJGGAACV-KRWDZBQOSA-N 325.437 4.815 0 40 EJAB CCc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccccc2Cl)cc1 78458056 QKFSZNWJPYNKBP-UONOGXRCSA-N 331.843 4.547 0 40 EJAB O=C(/C=C(/c1ccccc1)C(F)(F)F)N[C@H](c1ccccc1)C1CC1 96316220 DVTPXLGYUVRVCA-BLMOFCDVSA-N 345.364 4.900 0 40 EJAB Cc1cc(Cl)ccc1OCCCC(=O)N[C@@H](C)[C@H]1C[C@@H]2CC[C@@H]1C2 102234227 IZTFTQNBTGOQST-BVIKNXMNSA-N 349.902 4.748 0 40 EJAB CCCC[Sn]1(CCCC)Oc2ccccc2O1 195999740 YMVULZQBPBMZGZ-UHFFFAOYSA-L 341.039 4.500 0 40 EJAB COc1cccc2cc(C(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)oc12 222944384 ACFRLFSTLSWCJP-AWEZNQCLSA-N 349.430 4.811 0 40 EJAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCCCc1ccc(C)cc1 222994517 KSRKXNSDVKBTQX-OAQYLSRUSA-N 339.479 4.518 0 40 EJAB C[C@H](SCc1ccccc1)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 223153833 MQIIRGBUMJBGBO-CVEARBPZSA-N 339.504 4.674 0 40 EJAB CCCOCc1cc(C(=O)Nc2cccc(Cl)c2)ccc1OCC 224705235 OYLHSVWTKINEQJ-UHFFFAOYSA-N 347.842 4.918 0 40 EJAB Cc1c(Cl)cccc1C[C@H](Oc1ccc2ccccc2c1)C(=O)O 225071960 RWEOOWUEBKEXTD-IBGZPJMESA-N 340.806 4.876 0 40 EJAB COc1ccc(Cl)cc1C[C@H](Oc1ccccc1C(C)C)C(=O)O 225120763 PCCCRPWXTFWYJX-SFHVURJKSA-N 348.826 4.547 0 40 EJAB CC(C)Oc1cccc(CNC(=S)Nc2cccc(Cl)c2)c1 225522737 LLELGPNFFSBEGS-UHFFFAOYSA-N 334.872 4.614 0 40 EJAB CCCn1nc(NC(=O)c2ccccc2)c2cc3ccc(C)cc3nc21 1292398 GIIJSYYGQGGHEM-UHFFFAOYSA-N 344.418 4.555 0 40 EJAB CC(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)N1c1ccccc1 2062672 ITMWOAQPJMNDKV-JOCHJYFZSA-N 341.414 4.615 0 40 EJAB CCCCn1nc(NC(=O)C(C)(C)C)c2cc3cccc(C)c3nc21 2401532 BDRUNOOROGIUDI-UHFFFAOYSA-N 338.455 4.678 0 40 EJAB CCCCC(=O)Nc1nn(CC(C)C)c2nc3c(C)cccc3cc12 2447130 MAUBJYIQEGWSML-UHFFFAOYSA-N 338.455 4.678 0 40 EJAB Clc1ccc(COc2ccc(CNCc3cccnc3)cc2)cc1 4675713 MBXWYHOMOHIJHV-UHFFFAOYSA-N 338.838 4.604 0 40 EJAB O=C(Nc1[nH]nc(-c2ccc(Cl)cc2)c1Cl)c1ccccc1 6493955 UPSWUOALQHJZMW-UHFFFAOYSA-N 332.190 4.636 0 40 EJAB CCC(=O)c1ccc(Oc2nc3cc(C)nn3c3ccccc23)cc1 7737819 XMYMYLBSUISEMD-UHFFFAOYSA-N 331.375 4.576 0 40 EJAB Oc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN23)cc1 12275978 ZJTSWZBWWAXWJL-IRLDBZIGSA-N 342.398 4.635 0 40 EJAB Cc1nc(SCc2cccc(Br)c2)c2ccccc2n1 13942911 PJINEBPLKOPSCR-UHFFFAOYSA-N 345.265 4.993 0 40 EJAB O=C(Nc1ccc(-c2ccc(C(=O)O)cc2)cc1)OCc1ccccc1 16083101 VCMKEYFWDQMGOJ-UHFFFAOYSA-N 347.370 4.801 0 40 EJAB CCCCN[C@@H]1c2ccccc2C(=O)N1[C@@H](C)CCc1ccccc1 20149702 BAEHIFDGFKNAKZ-UWJYYQICSA-N 336.479 4.552 0 40 EJAB Cc1cccc(-n2nc(C)c3c2C[C@@H](c2ccc(F)cc2)CC3=O)c1 20632884 JRFMSTXBNHGWBS-MRXNPFEDSA-N 334.394 4.541 0 40 EJAB CCN(C(=O)c1csc(-c2ccsc2)n1)c1ccc(F)cc1 21599134 QKRJXURMUGKHGY-UHFFFAOYSA-N 332.425 4.677 0 40 EJAB Cc1ccccc1OCCSc1nc(-c2ccc(Cl)cc2)n[nH]1 28807323 KIAQVZLRFNXVPO-UHFFFAOYSA-N 345.855 4.605 0 40 EJAB CC(C)c1ccccc1O[C@H](C)C(=O)N[C@H]1CCCc2ccccc21 30871997 LOXFYUCMOYUHEG-UZLBHIALSA-N 337.463 4.771 0 40 EJAB C[C@H](NCc1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1Cl 32800292 WTYXWFRPEVGRCP-NSHDSACASA-N 348.233 4.894 0 40 EJAB Cc1ccc(CN(Cc2ccccc2)C[C@H](O)c2ccccc2)cc1 36031636 HAIRCBXPJLYHGO-QHCPKHFHSA-N 331.459 4.731 0 40 EJAB CN(C)C(=O)c1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1 41127553 TYRBMRAPPPUIQX-UHFFFAOYSA-N 335.190 4.503 0 40 EJAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1SC 44946506 PCSGJAXEJAMANF-AWEZNQCLSA-N 335.856 4.858 0 40 EJAB COc1cc(Cl)c(C)cc1NC(=S)Nc1cc(F)cc(F)c1 71761099 KOQGAJFXLIPLOT-UHFFFAOYSA-N 342.798 4.744 0 40 EJAB CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)Oc1cccc(Cl)c1 71822973 JVLIZKWNJLZCSK-OAHLLOKOSA-N 331.843 4.545 0 40 EJAB CC(C)CNc1ncccc1[C@H]1CCCCN1C(=O)c1ccccc1 72213291 DVTXXJXEDSPZNN-LJQANCHMSA-N 337.467 4.517 0 40 EJAB Cc1ccc(C(=O)Cn2c(C)cs/c2=N/c2ccccc2)c(C)c1 100840896 AIUPEBMFTDZZOF-QZQOTICOSA-N 336.460 4.590 0 40 EJAB O=C(Nc1ccccc1F)N1CCS[C@H](c2cccs2)CC1 219530978 UWTJKAWFHFTALB-HNNXBMFYSA-N 336.457 4.599 0 40 EJAB Cc1cccc(OCC(=O)Nc2ccc(OC3CCCC3)cc2)c1C 222819497 AWORWDMJFRPEDN-UHFFFAOYSA-N 339.435 4.642 0 40 EJAB CCc1ccc(O[C@H](CC)C(=O)Nc2ccc(OC(C)C)cc2)cc1 222886898 KXJOPKXPTPWUOB-HXUWFJFHSA-N 341.451 4.832 0 40 EJAB CC(=O)c1cccc(NC(=O)CCc2ccc(Cl)c(Cl)c2)c1 225328137 HEIOKGYAIRMFTI-UHFFFAOYSA-N 336.218 4.767 0 40 EJAB Cc1ccc(CSCCNC(=O)c2cc(C)c(C)cc2C)cc1 225640032 HFKSUBAHMAHGIL-UHFFFAOYSA-N 327.493 4.583 0 40 EJAB Cc1ccc(Cc2nnc(SCc3ccccc3Cl)[nH]2)cc1 226299445 HSBNMRYQDRAEAS-UHFFFAOYSA-N 329.856 4.650 0 40 EJAB O=C(NC1CCCCC1)c1ccc(COc2cccc(Cl)c2)o1 115660 BIAZUGZSSYHHPQ-UHFFFAOYSA-N 333.815 4.575 0 40 EJAB O=C1N(c2cccc3ccccc23)[C@@H](c2ccc(F)cc2)N2CCCN12 550507 STOSUHLPHVQXGC-FQEVSTJZSA-N 347.393 4.540 0 40 EJAB O=C(c1cccc(CN2CC=CC2)c1)c1cc(Cl)ccc1Cl 2515417 OIQBVPXZYNBFQV-UHFFFAOYSA-N 332.230 4.596 0 40 EJAB O=C1Nc2cc(Cl)ccc2/C1=C/c1ccccc1Br 3239211 KXELMHZKTJYGFM-GHXNOFRVSA-N 334.600 4.595 0 40 EJAB COc1ccc(C(=O)c2c(N)sc3c2CC[C@H](C(C)(C)C)C3)cc1 3434705 YENGKNWKJZXNQQ-ZDUSSCGKSA-N 343.492 4.721 0 40 EJAB CCOc1ccc(-c2csc(NC(=O)c3cccc(F)c3)n2)cc1 4086457 KPINPOPUJPTCFU-UHFFFAOYSA-N 342.395 4.600 0 40 EJAB Cc1ccccc1NC(=O)Cc1nc(-c2c(F)cccc2F)cs1 6606523 PABVRMLRJKTIQV-UHFFFAOYSA-N 344.386 4.578 0 40 EJAB CCc1cc(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)sc1C 9909199 LYVMTKZHJOEYRG-UHFFFAOYSA-N 343.448 4.913 0 40 EJAB CCOc1c(Cl)cccc1NC(=O)c1ccc(OC(C)C)cc1 12137921 ZLGHKZUYDDFBHI-UHFFFAOYSA-N 333.815 4.778 0 40 EJAB Cc1ccc([C@H](NC(=O)c2ccc(F)c(F)c2)c2ccccc2)cc1 12686218 RDMTYJVNKFGZGG-HXUWFJFHSA-N 337.369 4.793 0 40 EJAB CCc1ccccc1NC(=O)c1cc(-c2ccco2)nc2onc(C)c12 12746837 LFCZADSAXYKNKJ-UHFFFAOYSA-N 347.374 4.606 0 40 EJAB CC(C)(C)[C@H]1CCc2c(sc3c2[C@H](c2cccnc2)CC(=O)N3)C1 15106479 YRKWTXYCIYWYJZ-ZFWWWQNUSA-N 340.492 4.768 0 40 EJAB Cc1nc(-c2cccs2)c(CC(=O)Nc2ccccc2C)s1 15840130 CGBPPJMTHTUHOA-UHFFFAOYSA-N 328.462 4.670 0 40 EJAB Cc1cccc(-c2cc3ncccc3c(NCc3ccccn3)n2)c1 19235313 LLAGXIDTYPZTCI-UHFFFAOYSA-N 326.403 4.612 0 40 EJAB Cc1cc(C)c(C)c(OCC(=O)N[C@@H](CC(C)C)c2ccccc2)c1 20452415 RLLCTRZIMWOFEN-FQEVSTJZSA-N 339.479 4.894 0 40 EJAB COc1cc(C)c(NC(=O)c2cc3c(F)cccc3s2)cc1OC 24004872 LNBRARLSQRZIAZ-UHFFFAOYSA-N 345.395 4.618 0 40 EJAB COc1cccc(-c2nc(-c3c[nH]c4ccccc34)cs2)c1OC 24033941 PFOUFFONNQOWIC-UHFFFAOYSA-N 336.416 4.976 0 40 EJAB CC[C@H](C)C(=O)NC[C@H](c1cccs1)c1c[nH]c2ccccc12 24435367 HKKASRKKTLCNPJ-BBRMVZONSA-N 326.465 4.524 0 40 EJAB O=C(Cc1c(F)cccc1Cl)NCCC12CC3CC(CC(C3)C1)C2 32994579 RPOXLCDLYFWODL-UHFFFAOYSA-N 349.877 4.744 0 40 EJAB Cc1ccc(COc2c(Cl)cc(/C=C/C(=O)O)cc2Cl)cc1 33746706 TTZTWTQBLBNUHU-VOTSOKGWSA-N 337.202 4.979 0 40 EJAB COc1cccc([C@@H](C)N[C@H](C)c2cccc(Br)c2)c1 37507760 SORHILJROYFRNC-CHWSQXEVSA-N 334.257 4.870 0 40 EJAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2c(F)cccc2F)c1 52413777 QDIDDYCZFWMJPM-ZDUSSCGKSA-N 333.378 4.803 0 40 EJAB O=C1c2cc3ccccc3cc2C(=O)N1c1ccccc1C(F)(F)F 58871695 ZUMLITHRVDLIGG-UHFFFAOYSA-N 341.288 4.659 0 40 EJAB CC(C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1C(C)C 72214917 QOPSKDJFCUSBCP-QGZVFWFLSA-N 347.503 4.777 0 40 EJAB CCC(=O)c1cc(C(=O)N[C@@H](c2ccc(C)cc2)C2CC2)ccc1F 95441014 PKIHOWNLWWCPEW-FQEVSTJZSA-N 339.410 4.608 0 40 EJAB Cc1ccc(C)c([C@H](C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1 113943668 NGYQGEOCXLWRFA-LSDHHAIUSA-N 331.843 4.602 0 40 EJAB Cc1cc([C@H]2CCCN2C(=O)OC(C)(C)C)ccc1Br 199830778 VQDKQGKKKXBVMS-CQSZACIVSA-N 340.261 4.830 0 40 EJAB O=C(O)c1cc(-c2ccc3c4c(cccc24)CC3)nc2ccccc12 216941936 PAAGRMOGZNDTIF-UHFFFAOYSA-N 325.367 4.852 0 40 EJAB Cc1ccc2c(c1)N(C(=O)C(C)(C)Br)C(C)(C)C[C@H]2C 223238063 JINWVAPAWJCVSE-GFCCVEGCSA-N 338.289 4.787 0 40 EJAB CC(C)Cc1nc(CC(C)C)c(-c2ccccc2F)cc1C(=O)O 257306550 SUSBCMVNVHCXFV-UHFFFAOYSA-N 329.415 4.983 0 40 EJAB C=CC(=O)Nc1ccc(Oc2ccc(F)c(Br)c2)cc1 1120554184 NCOHJUONIQJRSV-UHFFFAOYSA-N 336.160 4.505 0 40 EJAB c1ccc(CC2CCN(c3ncnc4sc5c(c34)CCC5)CC2)cc1 38231 ADVCOZAITDWYMV-UHFFFAOYSA-N 349.503 4.639 0 40 EJAB c1ccc2cc(C3=Nn4c(nnc4C4CCCCC4)SC3)ccc2c1 527640 RWNWVPGSCCJTAW-UHFFFAOYSA-N 348.475 4.837 0 40 EJAB Fc1cccc(-c2nnc3sc(-c4cccc5ccccc45)nn23)c1 1018190 CLRSEJYMOLBMOV-UHFFFAOYSA-N 346.390 4.812 0 40 EJAB CCCn1nc(NC(=O)c2ccccc2)c2cc3cccc(C)c3nc21 1277500 WTYUAFUHGJUHHY-UHFFFAOYSA-N 344.418 4.555 0 40 EJAB O=C(Oc1ccc2cc(-c3ccccc3)c(=O)oc2c1)c1cccs1 1317598 INVQLZRFOXQXSH-UHFFFAOYSA-N 348.379 4.741 0 40 EJAB biogenic CCN(CC)CCCCCCNc1cc(OC)cc2scnc12 1855234 FFQYHMRTTIDFIL-UHFFFAOYSA-N 335.517 4.619 0 40 EJAB CCCCCOc1ccc([C@](O)(CCN(C)C)C2CCCCC2)cc1 2193326 FCOCMDJFHNPRQP-QFIPXVFZSA-N 347.543 4.975 0 40 EJAB CCCCCC[C@]1(C)Nc2ccccc2-c2nnc(SC)nc2O1 3211835 ALKLPMOSISBIDL-GOSISDBHSA-N 344.484 4.751 0 40 EJAB CC[C@H](C(=O)OCC(=O)Nc1cccc2ccccc12)c1ccccc1 3411397 AIOTXRODCOJNBD-SFHVURJKSA-N 347.414 4.515 0 40 EJAB CC(C)(C)[C@@H]1CCc2c(sc(N)c2C(=O)c2cccc(F)c2)C1 3434697 QMNUABQTEYKEST-GFCCVEGCSA-N 331.456 4.851 0 40 EJAB O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(Br)cc1 3566702 AFGCVHXUISYRSL-UHFFFAOYSA-N 344.130 4.720 0 40 EJAB CC(=O)O[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 3843589 ILCTUFVQFCIIDS-HQVUBJEZSA-N 332.484 4.530 0 40 EJAB CCN(C(=O)c1c(-c2ccccc2Cl)noc1C)c1ccccc1 6594284 FRTXMAIYRDENNV-UHFFFAOYSA-N 340.810 4.970 0 40 EJAB CCCCN(CCCC)CCCNC(=O)Nc1cccc(Cl)c1 6756768 SDSGOJOSCBWTJF-UHFFFAOYSA-N 339.911 4.754 0 40 EJAB O=C(Cc1cccc(F)c1)Nc1nc(-c2ccccc2Cl)cs1 6933761 RHCCUKCDROYTQY-UHFFFAOYSA-N 346.814 4.784 0 40 EJAB Cc1ccc(C(=O)NCc2ccc(-c3csc(C)n3)s2)c(C)c1 10105332 LWCYNMLOYGXSRN-UHFFFAOYSA-N 342.489 4.727 0 40 EJAB Cc1ccc(OCc2nc(C(=O)Nc3ccccc3C)cs2)cc1 12808838 IYDXPZGPNAZPJR-UHFFFAOYSA-N 338.432 4.591 0 40 EJAB Cc1cc(C)nc(Nc2ncc(-c3ccccc3)n2-c2ccccc2)n1 14608330 DNOUVWSMYLUCTE-UHFFFAOYSA-N 341.418 4.690 0 40 EJAB COc1ccc2c(c1C)CCC1=C2CC[C@@]2(C)C1=CC[C@H]2OC(C)=O 16249922 QDTQZEGNQUSCPP-YADHBBJMSA-N 338.447 4.765 0 40 EJAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1cc(Cl)ccc1OC 20038534 LPNCEABYUJIOBL-MRXNPFEDSA-N 347.842 4.762 0 40 EJAB CC1(C)c2ccccc2-c2nc3ccccc3cc2[C@H]1N1CCOCC1 31623531 OBPAOOYHSBQACT-JOCHJYFZSA-N 344.458 4.566 0 40 EJAB COc1ccccc1NC(=O)CCSCc1cccc(Cl)c1 32778651 KZWABPZAZHHFDF-UHFFFAOYSA-N 335.856 4.611 0 40 EJAB O[C@H](c1ccc(Cl)c(Cl)c1)c1ccccc1Br 40260237 ARKIOCDQBQGVSK-CYBMUJFWSA-N 332.024 4.838 0 40 EJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H](C)c1ccc(C)cc1C 44839189 SMWOPRXXKCGPRJ-NQIIRXRSSA-N 339.479 4.955 0 40 EJAB CC(C)c1ccc(-n2ccnc2SCc2nnc(C3CC3)o2)cc1 58158548 GACQVHKMKXZDRA-UHFFFAOYSA-N 340.452 4.548 0 40 EJAB Cc1[nH]c2ccc(C(=O)N(Cc3ccco3)C3CCCC3)cc2c1C 58354728 WLSNFTNOKXOBMQ-UHFFFAOYSA-N 336.435 4.963 0 40 EJAB O=C(NCc1ccc(Cl)cc1)c1cc(-c2cccc(Cl)c2)no1 66088957 YIPZEIFJCNNIJR-UHFFFAOYSA-N 347.201 4.578 0 40 EJAB CC(C)COc1cccc([C@@H]2CC(O)=Nc3c2cnn3C(C)C)c1 71280269 AXKSZEBDCJKHLS-INIZCTEOSA-N 327.428 4.622 0 40 EJAB CC(C)c1ocnc1C[S@@](=O)Cc1cc(Cl)ccc1Cl 92251964 XPAWEVUILFJGRX-HXUWFJFHSA-N 332.252 4.554 0 40 EJAB Cc1occc1Sc1cc(C(F)(F)F)nc(-c2ccccn2)n1 96003742 AZEWDZAAAAIUGO-UHFFFAOYSA-N 337.326 4.610 0 40 EJAB CCc1ccc(O[C@@H](CC)C(=O)N[C@H](C)c2ccc(C)cc2)cc1 113968962 HJZMQFMTLXFFSP-UZLBHIALSA-N 325.452 4.592 0 40 EJAB C[C@@H]1CCCN(Cc2ccc(C(=O)N3c4ccccc4C[C@H]3C)cc2)C1 215937978 VOQPZMDYLYAFEW-QZTJIDSGSA-N 348.490 4.510 0 40 EJAB Cc1cc(C)c([C@@H](C)NC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1C 223464735 TZVPAAXUAGEDRH-RTBURBONSA-N 339.479 4.873 0 40 EJAB CCOC(=O)c1ccc(NC(c2ccccc2)c2ccccc2)c(N)c1 225449893 XOKVSKPEWFQBSF-UHFFFAOYSA-N 346.430 4.647 0 40 EJAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCCC2=CCCCC2)c1 225610132 HUCDKBNTUJIIBF-KRWDZBQOSA-N 329.484 4.892 0 40 EJAB CCCOc1ccc(NC(=O)C2(OC)CCCCCC2)cc1Cl 225632654 NIQUBOBYUNVVQN-UHFFFAOYSA-N 339.863 4.807 0 40 EJAB C[C@H]1CCCCN1c1ccc(N)cc1NC(=O)c1ccc(Cl)cc1 226254861 MGSZKSFQLATMTI-ZDUSSCGKSA-N 343.858 4.553 0 40 EJAB Cc1ccccc1CCC(=O)N1CCCC[C@H]1CSC(C)(C)C 390830343 KJWVHJRTJHWFGX-SFHVURJKSA-N 333.541 4.840 0 40 EJAB S=C(Nc1ccc2ccccc2c1)Nc1ccc2snnc2c1 408996370 DGCGKRJOLNFZSV-UHFFFAOYSA-N 336.445 4.653 0 40 EJAB Cc1noc(C)c1[C@H](C)CC(=O)N1Cc2ccccc2-c2ccccc21 677135555 HDMHLOIFELVUBN-CQSZACIVSA-N 346.430 4.999 0 40 EJAB Cc1ccc(OC(=O)c2ccc(C(=O)Oc3ccc(C)cc3)cc2)cc1 242512 XOGHUKBCGNLXOX-UHFFFAOYSA-N 346.382 4.742 0 40 EJAB CCc1cc(C(=O)O)c(NC(=O)c2ccc(C(C)(C)C)cc2)s1 348491 DFDSOCARHZNETH-UHFFFAOYSA-N 331.437 4.559 0 40 EJAB CCc1cc2c(=O)c(-c3nc4ccccc4s3)coc2cc1OC 504049 CUEWAEZXTBDTAY-UHFFFAOYSA-N 337.400 4.641 0 40 EJAB CCCSc1nnc(-c2ccncc2)n1-c1cccc(Cl)c1C 3376888 SMKSYIFBFPNTGD-UHFFFAOYSA-N 344.871 4.793 0 40 EJAB COc1ccc2nc(Nc3nc4c(F)cc(F)cc4s3)sc2c1 4137761 MYHJYEOJTCTTIA-UHFFFAOYSA-N 349.387 4.936 0 40 EJAB Cc1cccc(N[C@H](c2ccccn2)c2c(C)[nH]c3ccccc23)n1 4148690 YSMGXGMEJVBETQ-OAQYLSRUSA-N 328.419 4.776 0 40 EJAB COCCn1cc(NC(=O)Nc2ccc(Cl)cc2)c2ccccc21 5266484 KPSGGBIAOWSEPK-UHFFFAOYSA-N 343.814 4.585 0 40 EJAB O=C(Nc1ncnc2sccc12)c1sc2ccccc2c1Cl 5299426 CYTOKYOIZPPSIG-UHFFFAOYSA-N 345.836 4.812 0 40 EJAB Cc1cccc(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)c1 5520656 SIBVXVQLDNWQHR-UHFFFAOYSA-N 339.398 4.858 0 40 EJAB COc1ccc(Cc2nnc(/C=C/c3cccc4ccccc34)o2)cc1 6793588 YUDPGEGYVPUHCX-SDNWHVSQSA-N 342.398 4.993 0 40 EJAB CC(=O)c1ccc(OCc2csc(-c3ccc(F)cc3)n2)cc1 7191798 VIZLCHMVUHEJSI-UHFFFAOYSA-N 327.380 4.731 0 40 EJAB Cc1cc(Br)ccc1NC(=O)Cc1ccccc1Cl 7304506 ZWSQDXXSUZHXKC-UHFFFAOYSA-N 338.632 4.592 0 40 EJAB Cc1[nH]c2ccccc2c1/C=C1/SC(=O)N(Cc2ccccc2)C1=O 8275998 WCMZQRCNJNCDHJ-WOJGMQOQSA-N 348.427 4.713 0 40 EJAB Oc1cccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)c1 15016867 BOURZNRLAYPTDH-YLJYHZDGSA-N 348.427 4.696 0 40 EJAB O=C(c1cc2ccccc2o1)N(Cc1ccco1)Cc1cccs1 16469702 YLGIARPCMDOBDE-UHFFFAOYSA-N 337.400 4.930 0 40 EJAB Cc1ccc(NC(=S)Nc2cccc(Br)c2)c(F)c1 16942031 AQBWYKOBJHIWCN-UHFFFAOYSA-N 339.233 4.706 0 40 EJAB O=C(NCC1CCC1)c1ccccc1-c1ncc(-c2ccccc2)o1 26141378 GCSBCLRIRCZDBG-UHFFFAOYSA-N 332.403 4.539 0 40 EJAB CCc1ccc(CN(C(=O)c2ccc(F)cc2)c2ccccn2)cc1 27662673 DKKWCAHLTJOXJG-UHFFFAOYSA-N 334.394 4.630 0 40 EJAB COC(=O)/C=C(\C)CC[C@]1(C)[C@@H](C)CC[C@]2(C)C(C(=O)O)=CCC[C@H]21 31164363 CCDSRPQULZAXRF-RHXAROHWSA-N 348.483 4.749 0 40 EJAB biogenic,in-vitro O[C@@](CCN1CCCCC1)(c1ccccc1)c1ccc(C2CC2)cc1 33898494 GZUDNCQEOHGFEE-QHCPKHFHSA-N 335.491 4.676 0 40 EJAB Cc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4n3C)c2)cc1 40153296 BFVAWHFJZVYYSC-UHFFFAOYSA-N 341.414 4.801 0 40 EJAB O=C(NCCc1ccsc1)C1(c2ccc(Cl)cc2)CCCC1 49343522 WRDWTKDEBZTBGF-UHFFFAOYSA-N 333.884 4.572 0 40 EJAB CC(C)c1ccccc1OCCNC(=O)/C=C/c1ccccc1Cl 59471931 YVXRBFPQQFBOPX-VAWYXSNFSA-N 343.854 4.672 0 40 EJAB CC1=Nc2c(c(O)nn2C2CCCCCC2)[C@@H](C(F)(F)F)S1 71288791 AMGQDDSTMWPADL-NSHDSACASA-N 333.379 4.884 0 40 EJAB O=C(CCc1ccccc1)N1N=C(c2ccco2)C[C@H]1c1ccccc1 75110292 NYERKYYTNSJZKV-FQEVSTJZSA-N 344.414 4.590 0 40 EJAB CC[C@@H](C(=O)NCC[C@@H](O)c1cccc2ccccc12)c1ccccc1 77116627 YJWRDUPEYXBPPB-DENIHFKCSA-N 347.458 4.573 0 40 EJAB COc1cccc(C[C@H]2CCCN2Cc2ncc(-c3ccccc3)o2)c1 83973357 NBTMWFBWAVJHOW-LJQANCHMSA-N 348.446 4.557 0 40 EJAB Cc1ccc(-c2n[nH]c(SCc3csc(C(C)C)n3)n2)cc1 84171699 CWSIAOLDOIGPJT-UHFFFAOYSA-N 330.482 4.652 0 40 EJAB CC[C@H](C)n1ncc(C(=O)Nc2cnc3ccccc3c2)c1C1CC1 89658925 QLXREGZJFZLJRF-ZDUSSCGKSA-N 334.423 4.532 0 40 EJAB COc1ccc(Nc2nc(-c3ccc4nsnc4c3)cs2)cc1 96124468 GJLNDVWLOQXDQO-UHFFFAOYSA-N 340.433 4.567 0 40 EJAB CN(C(=O)c1ccc(C2SCCS2)cc1)c1ccccc1F 102253120 SZNSRUYCBAYYAY-UHFFFAOYSA-N 333.453 4.581 0 40 EJAB Cc1nc(C2=C(O)CN(c3ccc(C(C)C)cc3)C2=N)sc1C 102404712 PECUVSGPILJWLA-UHFFFAOYSA-N 327.453 4.650 0 40 EJAB COc1ccc([C@@H]2C3=C(O)CCCC3=Nc3nc4ccccc4n32)cc1 102889355 ZNUQSQHGQOUGJI-HXUWFJFHSA-N 345.402 4.716 0 40 EJAB COCc1ccccc1N[C@H](C)c1nnc(-c2ccc(C)c(C)c2)o1 123541962 LKIXYQFHMDIAPF-OAHLLOKOSA-N 337.423 4.673 0 40 EJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(SC)c1 216340925 VGJILXCZVWTZLW-MRXNPFEDSA-N 335.856 4.858 0 40 EJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NC(C(C)C)C(C)C 216363620 DIFDSPBJCJUWCZ-GOSISDBHSA-N 327.468 4.794 0 40 EJAB CC(C)Oc1ccccc1C(=O)N1CCC(Cc2ccccc2)CC1 219732983 FKWLLPWMWRAKIM-UHFFFAOYSA-N 337.463 4.569 0 40 EJAB Cc1ccc([C@H](C)NC(=O)CSCc2ccccc2F)c(C)c1 222709605 LZHOKZNJGKZBRX-HNNXBMFYSA-N 331.456 4.553 0 40 EJAB CCCCc1ccc(C[C@H](Oc2cccc(Cl)c2)C(=O)O)cc1 225128021 XRXMCSHISRXSFC-SFHVURJKSA-N 332.827 4.757 0 40 EJAB Nc1ccc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)c(Cl)c1 227157486 KKGYVWAZNSPSET-UHFFFAOYSA-N 330.746 4.574 0 40 EJAB O=C(O)c1ccc([C@@H]2Nc3c(F)cccc3[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)cc1 247384171 JWMWZZNXNPHCDS-JCTKKGROSA-N 337.394 4.820 0 40 EJAB Cc1ccc(CN(C)C(=O)N[C@H](C)c2ccc(-c3ccncc3)cc2)o1 252488956 JCRIRYSVPMQRFR-MRXNPFEDSA-N 349.434 4.553 0 40 EJAB CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(-c3ccccc3)o2)C1=O 409012719 RMQPPUUMXOVTGE-PILJQMSFSA-N 327.405 4.781 0 40 EJAB Cc1cccc(C(=O)N[C@H](c2nc(-c3ccccc3)no2)C(C)(C)C)c1 585152313 NOQAOFJLCPKJLP-QGZVFWFLSA-N 349.434 4.562 0 40 EJAB CCC(CC)N(CCNc1cc(OC)cc2cccnc12)CC(C)C 1656146 IDYUSIGMOWUUAY-UHFFFAOYSA-N 343.515 4.802 0 40 EJAB Cc1ccc(OCCCC(=O)Nc2nc3ccccc3s2)c(C)c1 1914026 UCLYGTGLIVCIAQ-UHFFFAOYSA-N 340.448 4.711 0 40 EJAB Cc1[nH]c2ccccc2c1CCNc1ncnc2c1oc1ccccc12 4686436 FDBBWPYUCVGASJ-UHFFFAOYSA-N 342.402 4.820 0 40 EJAB Cc1ccc(Cn2cnc3c(Nc4ccccc4)nc(Cl)nc32)cc1 5160552 OYEKUVZUFASBGC-UHFFFAOYSA-N 349.825 4.580 0 40 EJAB O=C(Cc1cccs1)Nc1nc(-c2c[nH]c3ccccc23)cs1 6553158 IMFXGSFRBXFXOK-UHFFFAOYSA-N 339.445 4.534 0 40 EJAB COc1cccc(/C=C/C(=O)Nc2ccccc2Cc2ccccc2)c1 6942830 ALZAJDFTZZVUIL-CCEZHUSRSA-N 343.426 4.938 0 40 EJAB O=C1c2ccccc2N[C@@H](c2ccc(-c3ccccc3F)o2)N1C1CC1 7364517 UZLVPSAFPFMCJL-HXUWFJFHSA-N 348.377 4.815 0 40 EJAB CCCCc1nn2cc(-c3cccc(Br)c3)nc2s1 7994996 IZZKAJBVOUSIDA-UHFFFAOYSA-N 336.258 4.563 0 40 EJAB COC(=O)c1cccc(NC(=O)c2ccc(-c3ccccc3)cc2)c1C 8330780 GJUKMJFIJQBQQQ-UHFFFAOYSA-N 345.398 4.701 0 40 EJAB CC1(c2ccc(NC(=O)c3ccccc3Br)cc2)CC1 9028542 KBLRFQATRDSIKD-UHFFFAOYSA-N 330.225 4.753 0 40 EJAB CC(C)c1ccc(NC(=O)C[C@@H](C)CC(=O)NC2CCCCC2)cc1 9805740 NUOOCYOKOWYWPZ-INIZCTEOSA-N 344.499 4.614 0 40 EJAB Cc1cc2cc(CNc3cc(Cl)ccc3C)c(=O)[nH]c2cc1C 12493405 UFUIGASWYDHQPE-UHFFFAOYSA-N 326.827 4.719 0 40 EJAB Cc1nc(-c2ccc(CNC(=O)Nc3ccccc3)s2)cs1 14138762 COWRLZKBASYYRP-UHFFFAOYSA-N 329.450 4.502 0 40 EJAB CCCCC[C@H](C)NC(=O)c1ccccc1OCc1csc(C)n1 19309865 QHPUCIWYEAVAAG-AWEZNQCLSA-N 346.496 4.729 0 40 EJAB C[C@@H](CN(C)Cc1c([C@H]2CCCO2)[nH]c2ncccc12)c1ccccc1 19455977 ISYWFVNUMGRPOM-OXJNMPFZSA-N 349.478 4.650 0 40 EJAB O=C(CSCc1ccc(Cl)c(Cl)c1)N[C@H]1C[C@H]2CC[C@@H]1C2 20041983 OVOJTZXPQVHTOX-NVBFEUDRSA-N 344.307 4.531 0 40 EJAB C[C@@H](NC(=O)c1cccnc1Oc1ccc(F)cc1)c1cccs1 28570798 LRQBXHMVEXEFBO-GFCCVEGCSA-N 342.395 4.566 0 40 EJAB CN[C@H]1C(c2ccc(C)cc2)=NN(c2ccccc2)[C@H]1c1ccccc1 31638246 HDSOFYVWMRYEQH-GOTSBHOMSA-N 341.458 4.549 0 40 EJAB COc1ccc(/C=C/C(=O)N(C)[C@H](C)c2cc3ccccc3o2)cc1 32754288 QFRVUVDTWCANLQ-NRMKIYEFSA-N 335.403 4.674 0 40 EJAB CC(C)C[C@H](NC(=O)COc1ccccc1Cl)c1ccccc1 38756964 HCEXHPNJPISWOP-KRWDZBQOSA-N 331.843 4.622 0 40 EJAB C[C@@H](NC(=O)c1[nH]c2ccccc2c1Cl)c1ccc(F)c(F)c1 40144977 HJUNEJVSIIOQSV-SECBINFHSA-N 334.753 4.591 0 40 EJAB CCCCc1ccc(NC(=O)c2cc(-c3ccc(OC)cc3)[nH]n2)cc1 51315551 ZJHLULKBZAPHPM-UHFFFAOYSA-N 349.434 4.680 0 40 EJAB CCc1cccc(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)c1 57412188 JQUMURGFDGVNAE-UHFFFAOYSA-N 325.799 4.545 0 40 EJAB Cc1ccccc1CN(Cc1cccnc1)C(=O)C=C1CCCCC1 71824309 LNOHZDUATDZXFN-UHFFFAOYSA-N 334.463 4.809 0 40 EJAB CCN1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C(C)C 72214935 NMYGGXVYBRDZGX-KRWDZBQOSA-N 347.503 4.778 0 40 EJAB Cc1ccc(-c2nc(C(N)=O)c(Sc3ccc(Cl)cc3)o2)cc1 98086547 NWKRPIJBPZUJJF-UHFFFAOYSA-N 344.823 4.554 0 40 EJAB CCc1ccc(-c2csc(NC(=O)[C@@H]3C[C@H]4CC[C@H]3C4)n2)cc1 102600475 AHHKLTZSMVVPOJ-CWRNSKLLSA-N 326.465 4.747 0 40 EJAB O=C(CCc1c(Cl)cccc1Cl)NCc1ccccc1Cl 225350979 DTSZNCNMOQNKNA-UHFFFAOYSA-N 342.653 4.896 0 40 EJAB COc1cc(C)c(C(=O)NC(C)(C)Cc2ccccc2)cc1C(C)C 225671412 UGAUBUZCPPNIOH-UHFFFAOYSA-N 339.479 4.878 0 40 EJAB FC(F)(F)c1ccc(NC(=S)NC2(C3CC3)CCCC2)cc1 225859558 MXAYCMVREZWILX-UHFFFAOYSA-N 328.403 4.715 0 40 EJAB CCN(C(=O)C(F)(F)F)c1ccc(N2CCCC[C@H]2C)c(Cl)c1 226284888 KDPBSTRAYFABIK-LLVKDONJSA-N 348.796 4.634 0 40 EJAB O=C(NCc1ccc(-c2ccoc2)cc1)C12CC3CC(CC(C3)C1)C2 390831660 TYFDLFHOBPCJGF-UHFFFAOYSA-N 335.447 4.779 0 40 EJAB O=C(c1ccc(C(F)(F)F)cc1Cl)C(Cl)(Cl)Cl 575361600 VTQNUQUWLLKCNJ-UHFFFAOYSA-N 325.928 4.912 0 40 EJAB Cc1ccc(-n2nc(-c3ccccc3)c3nc4ccccc4nc32)cc1 78533 YQQCZJLUFSZDCJ-UHFFFAOYSA-N 336.398 4.944 0 40 EJAB CCCC(=O)N[C@@H](C)c1nc2ccccc2n1Cc1cc(C)ccc1C 200847 LMNJLVUXPLTVHX-KRWDZBQOSA-N 349.478 4.679 0 40 EJAB CC(C)CCNC(=O)[C@@H](C)Oc1cc(Cl)c(Cl)cc1Cl 2061862 HHVZPMLVRZZNIZ-SECBINFHSA-N 338.662 4.576 0 40 EJAB O=C(NCc1ccccc1Cl)C1c2ccccc2Oc2ccccc21 2633860 BBDOJDCAIPKBBX-UHFFFAOYSA-N 349.817 4.894 0 40 EJAB CCCCSc1nc2sc(C)c(-c3ccccc3)c2c(=O)[nH]1 4649957 IKVPVZJWIMWCJD-UHFFFAOYSA-N 330.478 4.852 0 40 EJAB Cc1ccc([C@@H]2c3cccn3CCN2C(=O)Nc2ccc(F)cc2)cc1 5256420 AQJRYHXPHCPRFW-HXUWFJFHSA-N 349.409 4.573 0 40 EJAB CCOc1ccc(C(=O)Nc2c(C)cccc2CC)cc1OCC 5471715 LJKIEIWOTWKJIR-UHFFFAOYSA-N 327.424 4.607 0 40 EJAB O=C(CSc1c(Cl)cccc1Cl)c1ccc2c(c1)OCO2 6000275 GLZWHRJGZWTOOM-UHFFFAOYSA-N 341.215 4.697 0 40 EJAB Cc1nc2ccc(NC(=O)c3ccc4[nH]c(C)c(C)c4c3)cc2s1 6669540 BDFDMVXKPCQUIF-UHFFFAOYSA-N 335.432 4.955 0 40 EJAB O=C(c1ccccc1Cl)N(Cc1cccc(F)c1)Cc1ccco1 6747577 ZXWBICUAPKXPGV-UHFFFAOYSA-N 343.785 4.915 0 40 EJAB Cc1cc(C(=O)OCc2csc(-c3ccc(F)cc3)n2)c(C)o1 7746959 GZOJVVMCYYFLKT-UHFFFAOYSA-N 331.368 4.516 0 40 EJAB Cc1ccc2c(CC(=O)N[C@H]3CCSc4ccccc43)coc2c1 7779168 ZQERBLZJLVFVNP-KRWDZBQOSA-N 337.444 4.637 0 40 EJAB CCc1ccc2c(c1)c(C)c(C(=O)NCc1ccc(Cl)cc1)n2C 9264142 UYXCVVKIPMKHCH-UHFFFAOYSA-N 340.854 4.633 0 40 EJAB CC(C)c1ccc(CC(=O)Nc2nc3ccc(F)cc3s2)cc1 10096044 GTSPXOBCOIQWML-UHFFFAOYSA-N 328.412 4.740 0 40 EJAB C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc2ccccc2c1 10670597 FIAILSDLLSACFH-ZDUSSCGKSA-N 325.795 4.899 0 40 EJAB CC(C)CCC(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 12785020 IPULENMISRMDON-MRXNPFEDSA-N 338.451 4.552 0 40 EJAB Cc1cccc(NC(=O)c2cc(-c3ccccc3)nc3onc(C)c23)c1 12905857 WYKMPQGQXXPCTC-UHFFFAOYSA-N 343.386 4.759 0 40 EJAB C[C@H](CCc1ccccc1)NC(=O)N(C)Cc1ccc(Cl)cc1 13011636 KHJMDIIVDJJRLW-OAHLLOKOSA-N 330.859 4.503 0 40 EJAB Cc1c(Cl)cccc1NC(=O)c1ccc(N2CCCCC2)cc1 14400149 PTCYTJDAHNWZKE-UHFFFAOYSA-N 328.843 4.891 0 40 EJAB COc1ccc(Nc2cc(-c3cccc(C)c3)nc(C)n2)c(OC)c1 15859107 RDWNNWGHBJXIAX-UHFFFAOYSA-N 335.407 4.521 0 40 EJAB O=C(CCCc1c[nH]c2ccccc12)Nc1cccc2ncccc12 15980038 NVHRQSUIDDQMFY-UHFFFAOYSA-N 329.403 4.678 0 40 EJAB Clc1ccc(-c2c[n+](-c3ccccc3)c3n2CCCS3)cc1 17122444 WNHPTNMZGCSRLW-UHFFFAOYSA-N 327.860 4.581 0 40 EJAB Cc1ccc(C23C[C@@H]4C[C@@H](CC(C(=O)N5CCCCC5)(C4)C2)C3)cc1 18062049 LAGFEPOYFSBVPA-MGAZVUHYSA-N 337.507 4.846 0 40 EJAB Cc1cccc(C)c1NC(=O)c1cccnc1Nc1cccc(F)c1 22073094 QIAAYYFGQQEYPO-UHFFFAOYSA-N 335.382 4.833 0 40 EJAB Cc1nc2cc(NC(=O)C3(c4cccc(Cl)c4)CCC3)ccc2o1 26390493 FTZFBHKKEBQUHG-UHFFFAOYSA-N 340.810 4.850 0 40 EJAB COc1ccc(-c2cnc(SC)n2-c2cccc(Cl)c2)cc1 44087236 PYPANWQEXNKSHI-UHFFFAOYSA-N 330.840 4.923 0 40 EJAB CCCN(C(=O)Nc1ccc(F)cc1F)[C@@H]1CCc2ccccc21 58157394 DDIYOGYDGPDELD-GOSISDBHSA-N 330.378 4.896 0 40 EJAB Cc1ccc(O[C@@H](C)C(=O)N[C@H](C)c2cc(C)ccc2C)c(C)c1 59351567 REAVJIRLOUKMIR-MSOLQXFVSA-N 325.452 4.565 0 40 EJAB CC(C)(C(=O)Nc1ccc(NCc2ccccn2)cc1)c1ccccc1 69527861 HIEHWKNBKNCWBW-UHFFFAOYSA-N 345.446 4.610 0 40 EJAB CC(C)(C)OC(=O)N(c1ccccc1)c1ncccc1C1=NCCC1 72215843 PMUZMPUFZXNJRD-UHFFFAOYSA-N 337.423 4.738 0 40 EJAB O=C(NCc1ccc(F)c(Cl)c1)c1cc(Cl)ccc1Cl 72331633 IOBCFLZMEVRFOW-UHFFFAOYSA-N 332.589 4.716 0 40 EJAB Fc1ccc(-c2cccc([C@@H]3CCCN(Cc4cccnc4)C3)n2)cc1 72348834 YMOCWUUGHXYCNJ-LJQANCHMSA-N 347.437 4.662 0 40 EJAB CO[C@](C)(CNC(=O)Nc1ccc(C)c(C)c1)c1cccc(Cl)c1 96393247 KSTZKQMVUZCEDM-LJQANCHMSA-N 346.858 4.640 0 40 EJAB C[C@@H]1Cc2ccccc2N1C(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 195531358 RPGLWNQAGYWZSU-IXERNEQCSA-N 329.871 4.542 0 40 EJAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2ccc(C)c(Cl)c2)c1 216333647 ZPJRMHVRDAYFLC-OAHLLOKOSA-N 331.843 4.980 0 40 EJAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H](C)c1ccccc1 223005393 PPOJEVRULPEEAL-KSSFIOAISA-N 331.843 4.683 0 40 EJAB CCc1ccccc1O[C@@H](C)C(=O)N[C@@H](C)c1cc(C)c(C)cc1C 223463802 OYMSJLJCUIRBHF-ROUUACIJSA-N 339.479 4.819 0 40 EJAB Cc1cc(C)c(C)c(O[C@@H](Cc2cccc(Cl)c2C)C(=O)O)c1 225071613 FPKJIGOORHHBLN-SFHVURJKSA-N 332.827 4.648 0 40 EJAB Clc1ccc([C@@H]2CN(CC[C@@H]3C[C@H]3C3CC3)CCO2)cc1Cl 1615405297 BMGZJDFEDBZEQF-XUWXXGDYSA-N 340.294 4.803 0 40 EJAB Cc1c(NC(=O)c2ccccc2F)cccc1-c1nc2ncccc2o1 118189 BAVJOLWPUKYOGG-UHFFFAOYSA-N 347.349 4.590 0 40 EJAB CCOc1ccccc1-c1csc(NC(=O)C2CCCCC2)n1 151140 YLHFGTJTCXSCEZ-UHFFFAOYSA-N 330.453 4.728 0 40 EJAB COC(=O)c1sc2ccccc2c1NC(=O)c1ccccc1Cl 190393 FLFYQEOIXGFLIU-UHFFFAOYSA-N 345.807 4.594 0 40 EJAB Cc1c(C(=O)Oc2cccc3ccccc23)cnn1-c1ccccc1 385358 XJMAQGNYDQXTAG-UHFFFAOYSA-N 328.371 4.553 0 40 EJAB Clc1ccc2c(c1)C=Nc1c(NCc3ccccc3)ncnc1O2 546644 SDWKRCWWPOLYID-UHFFFAOYSA-N 336.782 4.598 0 40 EJAB aggregator O=Cc1cc(Cc2cccc3ccccc23)cc(Br)c1O 570150 KGVJLOJXJAGEIR-UHFFFAOYSA-N 341.204 4.711 0 40 EJAB CSc1nnc(COc2cccc3ccccc23)n1-c1ccccc1 1396273 ZGZGDIFVFRKLTC-UHFFFAOYSA-N 347.443 4.721 0 40 EJAB Cc1ccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)cc1C 2643047 IQNOYMCGOALXJV-UHFFFAOYSA-N 337.444 4.771 0 40 EJAB CC(=O)[C@H]1[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 4024148 JYYRDDFNMDZIIP-JAACQLHSSA-N 328.496 4.970 0 40 EJAB biogenic C[C@@H]1CCCCN1c1ncnc2c(-c3ccc(Cl)cc3)nsc12 4894989 JHUPPZDAURPUFK-LLVKDONJSA-N 344.871 4.786 0 40 EJAB Cc1ccc(-c2cc(C(=O)Oc3ccccc3Cl)no2)cc1C 8586515 JMOHWOQEJQIKPB-UHFFFAOYSA-N 327.767 4.831 0 40 EJAB O=C(CCc1ccccc1)N1N=C(c2ccccc2)C[C@H]1c1ccco1 8734927 UWVKKZSIVKUROQ-FQEVSTJZSA-N 344.414 4.590 0 40 EJAB O=C(C[C@@H]1C=CCC1)Nc1nc2c(Cl)c(Cl)ccc2s1 11378239 LMLWKWSIRRKMKT-MRVPVSSYSA-N 327.236 4.898 0 40 EJAB CCCn1c(SCCOc2ccccc2C)nc2ccccc21 12062271 TVDGGZCLJRSCIK-UHFFFAOYSA-N 326.465 4.926 0 40 EJAB Cc1ccccc1NC(=S)Nc1cc(-c2ccc(Cl)cc2)[nH]n1 12463122 LLIFQIIJVODILL-UHFFFAOYSA-N 342.855 4.847 0 40 EJAB CCc1cccc(C)c1NC(=O)c1occc1COc1ccccc1 12620097 LEJURACYVXMJNZ-UHFFFAOYSA-N 335.403 4.982 0 40 EJAB Cc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccncc4)=NN23)cc1 13653958 QMCSZZALGFYYNJ-IRLDBZIGSA-N 341.414 4.632 0 40 EJAB CC(C)(C)SCCNC(=O)CC(c1ccccc1)c1ccccc1 13717003 QXLIEKOUOQOWLT-UHFFFAOYSA-N 341.520 4.857 0 40 EJAB CCOC(=O)c1ccc(NC(=S)Nc2ccccc2C(C)C)cc1 13789410 AUEWIOHGTQZXAH-UHFFFAOYSA-N 342.464 4.796 0 40 EJAB Cc1ccccc1[C@H](C)NC(=S)Nc1cccc(Br)c1 16943344 PVCCGPNSENXUJL-LBPRGKRZSA-N 349.297 4.805 0 40 EJAB C[C@H](CN[C@H](Cc1ccsc1)c1nccs1)c1ccccc1 19456524 NNNZEKCJZYVZOT-RHSMWYFYSA-N 328.506 4.882 0 40 EJAB Clc1cc(-c2csc(NC[C@H]3CCCO3)n2)c(Cl)s1 20672971 BWYAZCUSMGEZMC-SSDOTTSWSA-N 335.281 4.769 0 40 EJAB Cc1cccc(-c2noc(CCCC(=O)Nc3cccc(C)c3C)n2)c1 21168507 DZUHFGZDTUJIHJ-UHFFFAOYSA-N 349.434 4.623 0 40 EJAB CCCC[C@H](CCC(=O)Nc1ccc(Cl)cc1Cl)C(=O)O 26807728 FDEYDAPDJJAOSS-SNVBAGLBSA-N 332.227 4.603 0 40 EJAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(C(=O)O)cc1 30855834 XTSQFYMUSKSSQQ-HNNXBMFYSA-N 349.839 4.548 0 40 EJAB Cc1ccc(-c2nn3c(N4C[C@@H](C)C[C@H](C)C4)cc(C)nc3c2C)cc1 40216946 CHYCQOQQUMQGAW-HOTGVXAUSA-N 348.494 4.804 0 40 EJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H](C)c1ccc(C)c(C)c1 59351307 RNRPZWXYXCTMKM-NQIIRXRSSA-N 339.479 4.955 0 40 EJAB OC1=Nc2c(cnn2C2CCCC2)[C@@H](c2ccc(F)c(F)c2F)C1 71279231 NAANPXLBKCMAMF-LLVKDONJSA-N 335.329 4.539 0 40 EJAB Cc1ccc(-c2nc(C)c([C@H](C)N[C@@H](C)c3nnc(C)o3)s2)cc1 71902708 GCUOZFAYSHLNHA-AAEUAGOBSA-N 342.468 4.530 0 40 EJAB Cc1ccc2c(-c3nnnn3-c3ccc4ccccc4c3)c[nH]c2c1C 85432670 ZWBDNWXLAOMHJH-UHFFFAOYSA-N 339.402 4.581 0 40 EJAB COCc1nc(CNc2ccccc2SCC(F)(F)F)cs1 86197371 SREYMCFQTHYVMT-UHFFFAOYSA-N 348.415 4.556 0 40 EJAB Cc1noc(C2CC2)c1NC(=O)Nc1cccc(-c2nccs2)c1 121887040 OSVGURIPOOCHBL-UHFFFAOYSA-N 340.408 4.628 0 40 EJAB CC[C@@H](NC(=O)COc1ccccc1Cl)c1ccc(C)c(C)c1 218850960 WHLMPOWFLNNSNY-QGZVFWFLSA-N 331.843 4.603 0 40 EJAB Cc1ccc(-c2c(C(F)(F)F)nn(-c3cccc(C)c3)c2N)cc1 225178842 WCPMOTAWSBWBNU-UHFFFAOYSA-N 331.341 4.757 0 40 EJAB O=C(CCc1ccc(Cl)cc1Cl)NCCC1=CCCCC1 225369957 SLVHYFXJVOXNLU-UHFFFAOYSA-N 326.267 4.933 0 40 EJAB Cc1cccc2cc(C(=O)Nc3c(Cl)cccc3Cl)c(=O)oc12 226034725 FELUNWHFDGZLOC-UHFFFAOYSA-N 348.185 4.661 0 40 EJAB CC(C)c1ccc(C(=O)Nc2ccc(N3CCCCC3)c(N)c2)cc1 226265922 OSIRJZNXALUBSR-UHFFFAOYSA-N 337.467 4.635 0 40 EJAB Oc1cc(O)c(-c2cccc(-c3ccc(F)c(F)c3)c2)c(Cl)n1 585090180 FIFWDJUUSNFUJB-UHFFFAOYSA-N 333.721 4.758 0 40 EJAB CCc1sc(-n2cccc2)nc1C(=O)Nc1ccc(C(C)C)cc1 1565524130 AYIPUMMKAXLPCI-UHFFFAOYSA-N 339.464 4.872 0 40 EJAB C[C@H](c1ccccc1)[C@H]1CCCCCN1Cc1ccc(C(=O)O)o1 1615003139 GDFUUPDPYGWQRR-CRAIPNDOSA-N 327.424 4.526 0 40 EJAB O=C(Nc1nccs1)c1ccc(COc2ccccc2Cl)cc1 355456 HTTLOYJJKAMCOI-UHFFFAOYSA-N 344.823 4.628 0 40 EJAB CC(C)(C)c1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1 362912 CWWXLFFHLPFZSM-UHFFFAOYSA-N 339.460 4.938 0 40 EJAB CN(C(=O)c1cccs1)c1nc(-c2ccc(Cl)cc2)cs1 932753 FCLXKZVQXUSRIL-UHFFFAOYSA-N 334.853 4.802 0 40 EJAB CN(C)Cc1ccccc1C(=O)C(c1ccccc1)c1ccccc1 1677215 GPMLXMNBPTVPMR-UHFFFAOYSA-N 329.443 4.763 0 40 EJAB CCCc1cc(=O)oc2c3c(ccc12)OCN(c1cccc(C)c1C)C3 2114241 QSYPZFHDHWLRDB-UHFFFAOYSA-N 349.430 4.719 0 40 EJAB biogenic CCCOc1ccc(/C=C/c2cc(C(=O)O)c3ccccc3n2)cc1 6138783 SMTLQXNYQHAIRQ-JXMROGBWSA-N 333.387 4.892 0 40 EJAB COc1cc(/C=C/C(=O)O)ccc1OCc1cccc2ccccc12 6453853 VYFDXTJHFAPCFY-ZRDIBKRKSA-N 334.371 4.525 0 40 EJAB CCOc1cccc(/C=C/c2cc(C(=O)O)c3ccccc3n2)c1OC 6862475 FXPJBNYBWUYSNA-VAWYXSNFSA-N 349.386 4.511 0 40 EJAB CCOc1ncccc1C(=O)Nc1ccccc1Oc1ccccc1 7000756 SINNWSJXHPTCDU-UHFFFAOYSA-N 334.375 4.525 0 40 EJAB COc1ccc(C(=O)N[C@H](c2ccc(C)cc2)c2cccs2)cc1 7739556 GQYKPYGLWYHIRI-LJQANCHMSA-N 337.444 4.585 0 40 EJAB CCOc1ccccc1C(=O)N(Cc1ccc(C)cc1)Cc1ccco1 9431928 STUCBTRSPBKMCR-UHFFFAOYSA-N 349.430 4.829 0 40 EJAB O=C(CCc1nc2ccccc2s1)N1CCC[C@H]1c1ccccc1 9895241 AYLHSFVFFDLIMM-KRWDZBQOSA-N 336.460 4.593 0 40 EJAB O=C(Nc1ccc(-n2cnc3ccccc32)cc1)c1cc(F)cc(F)c1 10427283 ILPCJZPLDQOJMW-UHFFFAOYSA-N 349.340 4.556 0 40 EJAB COc1cc(OC)c2c(-c3ccccc3)cc(C(F)(F)F)nc2c1 12821481 XAKDVXXGPHQJLR-UHFFFAOYSA-N 333.309 4.938 0 40 EJAB CCCN(Cc1ccccc1)C(=S)Nc1ccc(OCC)cc1 13636164 NDQDGGQFZDMUTN-UHFFFAOYSA-N 328.481 4.694 0 40 EJAB O=C(COc1ccc(Cl)cc1)Nc1ccc(F)c(C(F)(F)F)c1 19935014 UCIXVHGSZBCQOJ-UHFFFAOYSA-N 347.695 4.515 0 40 EJAB Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1N 20220793 RQRDQVYIEORLPT-UHFFFAOYSA-N 328.721 4.502 0 40 EJAB CCOc1c(Cl)cc(Cl)cc1CNCCc1ccc(F)cc1 22074752 GXWJRRKDGJZLLE-UHFFFAOYSA-N 342.241 4.864 0 40 EJAB O=C(CSCc1ccccc1F)Nc1ccc(C(F)(F)F)cc1 23410903 MJZIYWXCDKXDBM-UHFFFAOYSA-N 343.345 4.716 0 40 EJAB CCCOc1ccc(-c2n[nH]c(SCc3ccc(F)cc3)n2)cc1 26806923 RTDUUSCDHNCNRX-UHFFFAOYSA-N 343.427 4.692 0 40 EJAB O=C(c1ccc(CSc2ccccc2)o1)N1CCc2ccccc21 28193593 KPDFOKYCVXNCFT-UHFFFAOYSA-N 335.428 4.775 0 40 EJAB CC[C@H](Oc1ccccc1Cl)C(=O)NCCCc1ccc(C)cc1 30865990 LQXCZGOSGUOFOO-SFHVURJKSA-N 345.870 4.555 0 40 EJAB COc1ccc(N(Cc2cccc(C)c2)c2snnc2C)cc1 32611844 PBQZXSOFFMEVAY-UHFFFAOYSA-N 325.437 4.502 0 40 EJAB Cc1ccc(-c2noc(Cc3nc(-c4cccs4)cs3)n2)cc1 35592657 FUFSLDSCVXYZHK-UHFFFAOYSA-N 339.445 4.821 0 40 EJAB CC(C)(C)c1cc(Br)ccc1OCC[C@@H]1CCCNC1 42770442 KWRYVTAVYXOUPJ-ZDUSSCGKSA-N 340.305 4.515 0 40 EJAB CC(C)CS[C@H](C)c1nc2scc(-c3ccco3)c2c(=O)[nH]1 53359249 MUWBICRQEKBHKB-SNVBAGLBSA-N 334.466 4.695 0 40 EJAB CC(C)(C)Nc1ccccc1NC(=O)c1cc2c(F)cccc2[nH]1 97117368 HQSUJAXPNJPFRZ-UHFFFAOYSA-N 325.387 4.770 0 40 EJAB Cc1cccc(O[C@H](C)C(=O)N[C@H](C)c2cc(C)c(C)cc2C)c1 223441896 LVVFKIQEJKWVEL-QZTJIDSGSA-N 325.452 4.565 0 40 EJAB Cc1ccc(OCCNC(=O)c2ccccc2SC(C)C)cc1C 224640734 YMOZSJHWMSOIIQ-UHFFFAOYSA-N 343.492 4.613 0 40 EJAB Cc1ccc(C)c(C[C@@H](Oc2ccc(C(C)(C)C)cc2)C(=O)O)c1 225028238 RNHYBEMOCSKMOC-LJQANCHMSA-N 326.436 4.676 0 40 EJAB O=C(O)[C@H](Cc1cccc(Cl)c1Cl)Oc1ccccc1Cl 225082241 MQHCUUUPQOZTNH-ZDUSSCGKSA-N 345.609 4.722 0 40 EJAB CCc1ccc(CC)c(CNC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)c1 225111165 QXYGYUVVFUGGTN-QGZVFWFLSA-N 339.479 4.512 0 40 EJAB CCCO[C@@](C)(C(=O)Nc1ccc(OC2CCCC2)c(C)c1)C1CC1 225673756 OTVGIIWKLSIGHP-OAQYLSRUSA-N 345.483 4.850 0 40 EJAB COc1ccc(/C=C2\C(=O)N(CC(C)C)c3ccccc32)cc1Cl 409114649 HWXJMCTZEWNTDB-YBEGLDIGSA-N 341.838 4.892 0 40 EJAB CCC(=O)c1cn(CCOc2ccc(Cl)cc2)c2ccccc12 560743 QBDBZWKPNCDPGG-UHFFFAOYSA-N 327.811 4.966 0 40 EJAB CC(=O)Nc1cc2c(cc1Cl)-c1ccc(Br)cc1C2 1592330 IYMOOQAEEKBMKZ-UHFFFAOYSA-N 336.616 4.632 0 40 EJAB CCCc1cc2c(cc1NC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C)OCO2 1670455 QPHJVFKCXRFWFY-KDOFPFPSSA-N 329.440 4.545 0 40 EJAB in-vitro CCSc1nc2sc(C)c(C)c2c(=O)n1-c1cccc(C)c1C 3380918 IIBWHHQGTGXAPS-UHFFFAOYSA-N 344.505 4.793 0 40 EJAB Cc1cc(Cl)ccc1NC(=O)CSc1nc2ccccc2o1 3503782 YGNSDRIYMOLADL-UHFFFAOYSA-N 332.812 4.520 0 40 EJAB C[C@@H]1CC2(CCCCC2)Nc2ccc(I)cc21 3999779 GQAFJKXWYYVIJV-LLVKDONJSA-N 341.236 4.913 0 40 EJAB biogenic Brc1ccc(CSc2ccc(-c3ccco3)nn2)cc1 4357922 GHTDIOSUORRDJH-UHFFFAOYSA-N 347.237 4.791 0 40 EJAB C=Cn1ccnc1[C@](O)(c1ccccc1)c1ccc(C(C)(C)C)cc1 5386597 LNHKRKBYQRFKMF-QFIPXVFZSA-N 332.447 4.565 0 40 EJAB Cc1cc(C)c(NC(=O)COc2ccccc2C(C)(C)C)c(C)c1 5724732 DUMNQVHFICRCEZ-UHFFFAOYSA-N 325.452 4.927 0 40 EJAB CCSc1ccccc1C(=O)Nc1ccc(Br)cc1 6439981 ANTPQJIAVRJLDM-UHFFFAOYSA-N 336.254 4.813 0 40 EJAB CC(=O)Nc1c(-c2cc(=O)oc3c(C)cc(C)cc23)oc2ccccc12 6623942 YVUBSFMNQOERPZ-UHFFFAOYSA-N 347.370 4.781 0 40 EJAB biogenic CCc1cccc(C)c1NC(=O)c1ccc(Br)cc1F 7071738 FGLNPAFREQKDSA-UHFFFAOYSA-N 336.204 4.711 0 40 EJAB O=C(c1ccc(OCc2ccccc2Cl)cc1)N1CCCCC1 7700078 GCMONDAYABWYFO-UHFFFAOYSA-N 329.827 4.545 0 40 EJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(OC(C)C)cc1 8041036 DVWXIBJDGYZKTK-SFHVURJKSA-N 347.842 4.923 0 40 EJAB Cc1c(NC(=O)/C(=C/c2ccco2)c2ccccc2)cccc1[N+](=O)[O-] 8330948 JRHOBQGIPAFEMQ-GHRIWEEISA-N 348.358 4.676 0 40 EJAB O=C(CCCc1cccs1)Nc1ccc2c(c1)OC1(CCCC1)O2 8394703 KDCVMZAJKCCANC-UHFFFAOYSA-N 343.448 4.751 0 40 EJAB O=C(Nc1cc2c(cc1Cl)OCO2)c1ccc(Cl)c(Cl)c1 12764547 CMOXDIJAYDRRMB-UHFFFAOYSA-N 344.581 4.628 0 40 EJAB CCc1ccc(CN(Cc2ccc(OC)cc2)Cc2cccnc2)cc1 13569085 VJCBTUTVDPCIKV-UHFFFAOYSA-N 346.474 4.855 0 40 EJAB O=c1[nH]c2ccc(-c3csc(-c4ccc(Cl)cc4)n3)cc2o1 14237632 QPBKOSGEXIQKPX-UHFFFAOYSA-N 328.780 4.565 0 40 EJAB COc1cccc(NC(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)c1 15577000 HAKKTPKHPZJMQX-AWEZNQCLSA-N 335.403 4.599 0 40 EJAB CCC[C@@](O)(c1ccccc1)[C@H](CN1CCCCC1)c1ccccc1 27241997 FZFRYOBRYWNHTG-DHIUTWEWSA-N 337.507 4.944 0 40 EJAB N#CC(CCOC(=O)c1ccsc1)(c1ccccc1)c1ccccc1 28184498 QRTHSHNPXFVFMJ-UHFFFAOYSA-N 347.439 4.805 0 40 EJAB CCCCCOc1cc(C)ccc1S(=O)(=O)Nc1ccccc1C 28252122 FMVWWNJVUYNGLU-UHFFFAOYSA-N 347.480 4.673 0 40 EJAB COc1ccc(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)cc1Cl 30755166 KDSRHEBLOQBZSD-AWEZNQCLSA-N 347.842 4.680 0 40 EJAB CC(C)CC(=O)Nc1ccccc1-c1nc(-c2ccc(F)cc2)no1 32623064 GEIOBNBGKIZIRK-UHFFFAOYSA-N 339.370 4.527 0 40 EJAB CCOc1ccccc1NC(=O)CSc1cccc2ccccc12 32691836 MIMSGXWHBMPRPD-UHFFFAOYSA-N 337.444 4.969 0 40 EJAB O=C(CCC(=O)c1ccc(-c2ccccc2)cc1)Nc1ccccc1O 32814962 KWOONRINVVPFIS-UHFFFAOYSA-N 345.398 4.661 0 40 EJAB O=C(Nc1ccc(Cl)cc1)c1ccc(CN2CCCCCC2)cc1 38833902 KIFOBRJLNINWNC-UHFFFAOYSA-N 342.870 4.968 0 40 EJAB Cc1oc(-c2ccccc2Cl)nc1COc1ccccc1C=O 39321196 XXPSOHRJMBFCMH-UHFFFAOYSA-N 327.767 4.695 0 40 EJAB O=C(C[C@H]1C=CCC1)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 40110774 KGTFBGPBRMULSW-AWEZNQCLSA-N 344.430 4.639 0 40 EJAB Cn1c(C(=O)Nc2cccc(COc3ccccc3)c2)cc2occc21 40288268 GSSQRSGPFLVFKR-UHFFFAOYSA-N 346.386 4.603 0 40 EJAB CC(C)(C)OC(=O)N1CCC[C@H](Nc2ccc(C(F)(F)F)cc2)C1 40448233 NSOAWCGGUDAFMR-AWEZNQCLSA-N 344.377 4.517 0 40 EJAB Cc1cc(C)cc(NC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)c1 40478248 CZIKDISXZUFPJX-UHFFFAOYSA-N 325.799 4.599 0 40 EJAB Cc1ccc(OCC(=O)N[C@H](CC(C)C)c2ccccc2)cc1C 44849776 NNQGCWWIQZEQFA-HXUWFJFHSA-N 325.452 4.586 0 40 EJAB Cn1cc(Cl)cc1C(=O)Nc1ccc(Nc2ccccc2)cc1 48302941 AIPFERUUQUNJTJ-UHFFFAOYSA-N 325.799 4.674 0 40 EJAB CCCCNc1ncccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C 72213626 RMUQYBQGROSQRJ-INIZCTEOSA-N 333.476 4.756 0 40 EJAB Cc1cccc(-c2cccc([C@H]3CCCN(Cc4ccncc4)C3)n2)c1 72348797 GYUNEUBTDDNWIM-NRFANRHFSA-N 343.474 4.832 0 40 EJAB Cc1ccc(NC(=O)N2CCC(Cc3cccnc3)CC2)cc1Cl 95457613 OHCLAXFXMALQGC-UHFFFAOYSA-N 343.858 4.530 0 40 EJAB C/C(=C\C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1)C1CC1 98055042 SVCJJUZEVLZKCP-YRNVUSSQSA-N 332.856 4.682 0 40 EJAB CC[C@H](NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1)c1ccc(C)cc1C 219551157 DLRFWFBEQHFFEJ-NQIIRXRSSA-N 339.479 4.955 0 40 EJAB COc1cc(C)c([C@H](C)NC(=O)Cc2cccs2)cc1C(C)C 223385169 UCSUIAJTUZCWRC-AWEZNQCLSA-N 331.481 4.608 0 40 EJAB CC[C@@H](NC(=O)c1ccc(OC)c(Cl)c1)c1ccc(C)c(C)c1 223654115 RKIAOXQWLNXJJZ-QGZVFWFLSA-N 331.843 4.847 0 40 EJAB Cc1ccc(Cl)cc1NC(=O)c1cc(-c2ccc(F)cc2)on1 224066634 WOUNMPYNCSEPRW-UHFFFAOYSA-N 330.746 4.695 0 40 EJAB COCc1cccc(NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)c1 224139560 WXGHJBXDVFAICD-CQSZACIVSA-N 347.842 4.509 0 40 EJAB Cc1cccc(O[C@H](Cc2ccc(Oc3ccccc3)cc2)C(=O)O)c1 225109152 NHZLFGFFARXHEC-OAQYLSRUSA-N 348.398 4.862 0 40 EJAB CC(C)c1ccc(NC(=O)c2ccc3c(c2)OCC(C)(C)CO3)cc1 225359287 GLUFWDOTHTZPNN-UHFFFAOYSA-N 339.435 4.860 0 40 EJAB Cc1cc(C)cc(NC(=S)NCCSCc2ccccc2C)c1 225359891 LLBFGLOEJHKCQP-UHFFFAOYSA-N 344.549 4.832 0 40 EJAB Cc1cc(OCc2ccccc2)ccc1C(=O)COc1ccccc1 575242771 LDYWMZHOLINILX-UHFFFAOYSA-N 332.399 4.836 0 40 EJAB CC(C)[C@@H](C)NCc1csc(-c2cccc(Br)c2)n1 620851119 CYCMHJZNTHSZKI-LLVKDONJSA-N 339.302 4.707 0 40 EJAB O=C(NCc1cc(-c2ccco2)cs1)c1ccc2ncsc2c1 1775969156 ZMYJOIJXQWQSKI-UHFFFAOYSA-N 340.429 4.548 0 40 EJAB O=C1c2ccccc2N[C@H](/C=C/c2ccccc2)N1c1ccccc1 35051 KNWKRQPNAIFZPF-ANUWBXLYSA-N 326.399 4.798 0 40 EJAB O=C1c2ccccc2N[C@H](c2cccc(F)c2)N1c1ccc(F)cc1 104500 XBVLVAIVOXLBKZ-IBGZPJMESA-N 336.341 4.736 0 40 EJAB Cc1cccc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)c1 176217 NOUNBUVKKLTPOZ-UHFFFAOYSA-N 327.387 4.791 0 40 EJAB O=C(Nc1cccc2ccccc12)c1cccc(Br)c1 340327 XKNZEZOUWZIZTR-UHFFFAOYSA-N 326.193 4.855 0 40 EJAB Cc1nc(SCC(=O)c2ccccc2F)c2c(C)c(C)sc2n1 414678 SVPZMLQKIGXXAS-UHFFFAOYSA-N 346.452 4.731 0 40 EJAB O=C(Cc1ccc(Br)cc1)Nc1cccc2ccccc12 3549142 IONNZMGRFONFGO-UHFFFAOYSA-N 340.220 4.784 0 40 EJAB C[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc4ccccc4c2)N3)C1 4543390 QDOQLAGESWEVFL-BLVKFPJESA-N 348.471 4.880 0 40 EJAB S=C1CCC(c2ccc(Br)cc2)=NN1c1ccccc1 4855569 TVIPPNLERADXLI-UHFFFAOYSA-N 345.265 4.781 0 40 EJAB Cc1cc(C)c2oc(C(=O)Nc3cccc(Cl)c3C)cc(=O)c2c1 6811328 OWODVWRAHNCLCX-UHFFFAOYSA-N 341.794 4.624 0 40 EJAB CC(=O)c1ccc(NC(=O)c2ccccc2OCc2ccccc2)cc1 7608471 CBEHPCWOXGIPIW-UHFFFAOYSA-N 345.398 4.721 0 40 EJAB COc1ccc(Br)cc1CNc1ccc(Cl)cc1 8161239 YVXBURWAGNATMV-UHFFFAOYSA-N 326.621 4.723 0 40 EJAB CCOc1ccc2ccccc2c1C(=O)Nc1ccc(N(C)C)cc1 8382819 FDTKNMMZVHYETH-UHFFFAOYSA-N 334.419 4.557 0 40 EJAB O=C(Nc1ccc(C(=O)c2cc3ccccc3o2)cc1)c1ccccc1 12798160 ZCCGYVMTRHAJSY-UHFFFAOYSA-N 341.366 4.916 0 40 EJAB CSc1ccccc1NC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1 12980158 DVGSMGDCZLHERG-LBPRGKRZSA-N 335.856 4.776 0 40 EJAB CCCOc1ccc(NC(=O)c2cccc(Cl)c2)c2cccnc12 15841009 UIGHUOPXKVURBQ-UHFFFAOYSA-N 340.810 4.929 0 40 EJAB Cc1nc(Nc2cc(C(F)(F)F)ccc2Cl)sc1C(=O)O 20156549 FYIOXYKHHXVYHC-UHFFFAOYSA-N 336.722 4.566 0 40 EJAB Cc1ccc(C(=O)Nc2ccc(C(=O)OC3CCCCC3)cc2)cc1 20412084 DKUSJOAOGVHENE-UHFFFAOYSA-N 337.419 4.737 0 40 EJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(OC(C)C)cc1 20488018 GFZLCYSGFNUUIY-FQEVSTJZSA-N 341.451 4.887 0 40 EJAB COc1cc2ccccc2cc1C(=O)N[C@@H](C)c1ccc(C)cc1C 20491693 MYNVSRTWPKHWTL-INIZCTEOSA-N 333.431 4.956 0 40 EJAB C[C@H](SCc1ccccc1)C(=O)N[C@H]1CCCc2ccccc21 20493446 WEIKEJRICRNHPM-KXBFYZLASA-N 325.477 4.502 0 40 EJAB Oc1ccc([C@@H]2NC[C@H](c3cccs3)c3c2[nH]c2ccccc32)cc1 32666109 VRGSDOREZIQCQX-UZLBHIALSA-N 346.455 4.760 0 40 EJAB Cc1ccc([C@H](C)NC(=O)[C@H](C)Oc2cc(C)ccc2C)c(C)c1 38754189 QONRLBASLJINDR-ROUUACIJSA-N 325.452 4.565 0 40 EJAB Cc1cc(O[C@@H](C)C(=O)Nc2c(C)cccc2C)cc(C)c1Cl 40913173 TUSQNZXGDVXGHK-HNNXBMFYSA-N 331.843 4.980 0 40 EJAB CC(C)(C)c1cc(Br)ccc1OCCC1CCNCC1 42770439 WHKSXJMRVTZGDO-UHFFFAOYSA-N 340.305 4.515 0 40 EJAB Fc1ccccc1CSc1nccn2nc(-c3cccs3)cc12 45925291 UAZXXMGUQKRFQG-UHFFFAOYSA-N 341.436 4.889 0 40 EJAB CCc1cccc2sc(NC(=O)Nc3c(F)cccc3F)nc12 70655603 JEMTWERHJWOATK-UHFFFAOYSA-N 333.363 4.781 0 40 EJAB CN(CCc1ccccc1)C(=O)Cc1coc2ccc3ccccc3c12 71800752 LQONOODFENWGLV-UHFFFAOYSA-N 343.426 4.830 0 40 EJAB Cc1nnc([C@H](C)Nc2ccc(Oc3cccc(Cl)c3)cc2)o1 79030189 WUDMFKOMGWNFQD-NSHDSACASA-N 329.787 4.997 0 40 EJAB CC1(C)CC(=O)C([C@@H]2c3ccccc3Oc3ccc(F)cc32)C(=O)C1 101350985 XMZZHNKHWOQKMH-LJQANCHMSA-N 338.378 4.638 0 40 EJAB CC(C)c1ccccc1OCCNC(=O)/C=C/c1ccc(Cl)cc1 223745549 YITPVXBRFDUUNA-FMIVXFBMSA-N 343.854 4.672 0 40 EJAB CCCCOCc1cc(C(=O)Nc2ccc(C)cc2)ccc1OCC 224725179 BUUXQNKERRILSG-UHFFFAOYSA-N 341.451 4.963 0 40 EJAB Cc1cccc(-n2nc(C(F)(F)F)c(-c3ccccc3F)c2N)c1 225179171 ATLIDPGOEMBTEQ-UHFFFAOYSA-N 335.304 4.588 0 40 EJAB Fc1ccc2c(c1)[C@@H]1OCC[C@@H]1[C@H](c1ccc(Br)cc1)N2 409188109 APFPMKQYSIXZIK-XOKHGSTOSA-N 348.215 4.833 0 40 EJAB O=C(c1ccc(Cl)cc1C(F)(F)F)C(F)(F)Br 575360786 IDAASDKVYBVEFT-UHFFFAOYSA-N 337.469 4.529 0 40 EJAB CC(C)(C)OC(=O)n1c2ccncc2c2ccc(Br)cc21 2362803227 QWPLEZQMDWYWQU-UHFFFAOYSA-N 347.212 4.735 0 40 EJAB Cc1cc(C)n(C(=O)c2cc(-c3ccc(C)s3)nc3ccccc23)n1 483543 YODXSONWXBKPCG-UHFFFAOYSA-N 347.443 4.774 0 40 EJAB C[C@H](Nc1nc(-c2ccncc2)nc2ccccc12)c1ccccc1 520897 YILNAATVQIJIAT-HNNXBMFYSA-N 326.403 4.865 0 40 EJAB O=C(NCc1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 1405260 REEHEFAEZXLPSC-UHFFFAOYSA-N 347.258 4.654 0 40 EJAB O=C(COc1cccc(Cl)c1Cl)Nc1cccc(Cl)c1 1441010 FNUOYVDLAXOBCF-UHFFFAOYSA-N 330.598 4.664 0 40 EJAB Cc1nc2ccc(NC(=O)Cc3c(F)cccc3Cl)cc2s1 2627710 HVDHIWYHQRITSQ-UHFFFAOYSA-N 334.803 4.578 0 40 EJAB COc1ccccc1OCCC(=O)Nc1ccc(-c2ccccc2)cc1 2655797 FYMPMOQIHLSENK-UHFFFAOYSA-N 347.414 4.770 0 40 EJAB Cc1ccc(Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)cc1 5410562 ODGBJYKXEREKME-UHFFFAOYSA-N 346.455 4.790 0 40 EJAB Oc1ccc(C(O)(c2ccccc2)c2ccccc2)c2ccccc12 5699396 IUMOCCIEKFOXCO-UHFFFAOYSA-N 326.395 4.830 0 40 EJAB Cc1nc(C(=O)N[C@@H](C)c2ccccc2)cc2c1[nH]c1ccccc12 6075855 CFUQAFSVAQDAPM-ZDUSSCGKSA-N 329.403 4.516 0 40 EJAB biogenic Cc1cc(-c2ccccc2)nc(SCc2cc(-c3ccco3)on2)n1 7625467 HQIOTTSUQALSPN-UHFFFAOYSA-N 349.415 4.992 0 40 EJAB Cc1ccccc1N(CC(=O)c1ccc(Cl)cc1)C1=NCCCC1 8415713 LMDAULDOTKTBNO-UHFFFAOYSA-N 340.854 4.920 0 40 EJAB COc1cccc2c1N(C(=O)c1ccccc1-c1ccccc1)CCC2 12371692 SGYWJZUYIXKQJU-UHFFFAOYSA-N 343.426 4.955 0 40 EJAB COc1ccc2cc([C@@H](C)C(=O)N[C@H](C)c3ccccc3)ccc2c1 14171742 KAGMPABCTWFXKG-HZPDHXFCSA-N 333.431 4.829 0 40 EJAB CCOc1c(Cl)cc(C(=O)Nc2cccc(Cl)c2)cc1OC 14427408 PZNMVODEEDHIJB-UHFFFAOYSA-N 340.206 4.653 0 40 EJAB CCOc1ccccc1NC(=O)c1ccccc1C(=O)c1ccccc1 14903338 JFZMSCBWMVXGDX-UHFFFAOYSA-N 345.398 4.569 0 40 EJAB O=C(c1ccccc1Cl)N(Cc1ccc(F)cc1)Cc1ccco1 15831768 UFNWXUQOVLVBPZ-UHFFFAOYSA-N 343.785 4.915 0 40 EJAB Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCN2C(=O)CC(C)C)n1 19691511 QKEBMIVKQYSTOW-FQEVSTJZSA-N 340.442 4.906 0 40 EJAB CCCCCCOc1ccc(C(=O)Nc2cc(N)ccc2C)cc1 19736106 LQLHDDLQOWKDPA-UHFFFAOYSA-N 326.440 4.789 0 40 EJAB Cc1ccc(C(=O)O)cc1NC(=O)/C=C/c1ccc(-c2ccccc2)o1 20145263 AGHDOFYFBFGPAD-ZRDIBKRKSA-N 347.370 4.605 0 40 EJAB CN(Cc1cccc(F)c1)Cc1coc(-c2ccc(Cl)cc2)n1 24992492 WLDLWRZEYSTGSY-UHFFFAOYSA-N 330.790 4.766 0 40 EJAB COc1ccc2cc([C@@H](C)C(=O)N3CCc4ccccc43)ccc2c1 32716582 HJFIJESOJOCDGH-OAHLLOKOSA-N 331.415 4.541 0 40 EJAB CCc1ccc(C(=O)Nc2nc(-c3cccc(Cl)c3)cs2)o1 40089229 MQZZCXNQBGGGHW-UHFFFAOYSA-N 332.812 4.871 0 40 EJAB CCN(CC)C(=O)c1ccc(-c2nc3ccc(F)cc3s2)cc1 59843086 MPPRUFZEBCAQNF-UHFFFAOYSA-N 328.412 4.584 0 40 EJAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C/C=C/c1ccccc1 61801143 CUTDCJVLEYUVNJ-JLHYYAGUSA-N 331.463 4.634 0 40 EJAB CCn1nc(C)c(NC(=O)c2cc(-c3cccs3)cs2)c1C 72243206 LYESSMHSNYATKX-UHFFFAOYSA-N 331.466 4.562 0 40 EJAB C[C@H](Nc1nc(-c2ccsc2)nc2ccccc12)c1cccnc1 72672907 MUAWUYBOBMUGQO-ZDUSSCGKSA-N 332.432 4.926 0 40 EJAB CC1(C)CCC[C@H]1N(Cc1ccccc1)Cc1nc(C2CC2)no1 75105239 QLNNWYYCLZOKMV-QGZVFWFLSA-N 325.456 4.528 0 40 EJAB C[C@@H](NC(=O)c1ccc2c(c1)CCCC2)c1ccc2c(c1)CCCC2 223009063 FGWSYDOQYAQGKT-MRXNPFEDSA-N 333.475 4.935 0 40 EJAB CCCC[C@H](CC)CNC(=O)c1ccc(CN2CCCCC2)cc1 224095702 BEGWERSHDIFBFC-SFHVURJKSA-N 330.516 4.619 0 40 EJAB O=C1Nc2ccccc2S/C1=C\c1ccc(Br)s1 409097068 MXXRFQOOYLLWFG-XFFZJAGNSA-N 338.251 4.596 0 40 EJAB O=C(Cc1cccc2cnccc12)Nc1ccc(OC2CCCC2)cc1 623797539 XVJXKMAVEWBQBH-UHFFFAOYSA-N 346.430 4.737 0 40 EJAB Cc1cccc(NC(=O)c2ccccc2NC(=O)c2ccccc2C)c1 233411 AHLKFFFSUDOOSA-UHFFFAOYSA-N 344.414 4.808 0 40 EJAB CC(=O)N(Cc1cc2cc(C)cc(C)c2nc1Cl)C1CCCC1 1367762 AAGCYCKMIVHKJF-UHFFFAOYSA-N 330.859 4.796 0 40 EJAB C[C@H]1CCc2[nH]c3ccc(C(=O)NCCCc4ccccc4)cc3c2C1 2647042 LQMTWJKTVFVYMM-INIZCTEOSA-N 346.474 4.655 0 40 EJAB Cc1nc2cccc(-c3cc(-c4cc(Cl)ccc4O)n[nH]3)c2o1 4576399 NNQHYFMBHDKSQV-UHFFFAOYSA-N 325.755 4.552 0 40 EJAB CSc1cccc(NC(=O)Cc2ccc(Cl)c(Cl)c2)c1 6152575 DABGYMFAPHGFSJ-UHFFFAOYSA-N 326.248 4.897 0 40 EJAB CCc1nc2ccccc2c(C(=O)Oc2ccc(C(C)=O)cc2)c1C 8705483 UDAWLMZFZAGTLE-UHFFFAOYSA-N 333.387 4.527 0 40 EJAB Cc1cccc(Nc2nc(C)c3c(n2)C[C@H](c2ccccc2)CC3=O)c1 9935807 DQEQGMIMFSRBMF-KRWDZBQOSA-N 343.430 4.750 0 40 EJAB Cc1cc(CNC(=O)c2sc(-c3ccsc3)nc2C)ccc1F 12999727 KPNSSJGQMHSCER-UHFFFAOYSA-N 346.452 4.558 0 40 EJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NC12CC3CC(CC(C3)C1)C2 20104671 NPSRSGNKQIJIEE-ITOSSNOYSA-N 347.886 4.582 0 40 EJAB Cc1cccc(Nc2ncnc3c2cnn3-c2cc(Cl)ccc2C)c1 20662152 DVJLOGATUVBYDR-UHFFFAOYSA-N 349.825 4.829 0 40 EJAB Cc1ccc(-n2cnnc2SCc2ccc(F)cc2Cl)c(C)c1 24305083 PPNIZXCVLSIIAT-UHFFFAOYSA-N 347.846 4.969 0 40 EJAB Cc1nc(-c2ccccc2)ccc1C(=O)N1CCC[C@H]2CCCC[C@H]21 24884480 WGNZALMLOFEMRF-WIYYLYMNSA-N 334.463 4.852 0 40 EJAB Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)c(C)c1 36333482 PYVDFBZRRNUCAR-UHFFFAOYSA-N 336.357 4.641 0 40 EJAB Cc1ccc(-c2cc(C(F)(F)F)nc(NCc3ccco3)n2)cc1 36613576 JGUHVKNPTDVGCF-UHFFFAOYSA-N 333.313 4.676 0 40 EJAB Cc1ccc(S(=O)(=O)c2ccc3c(c2)Oc2ccccc2N3)cc1 39212901 YMZVWRAKXCXDDC-UHFFFAOYSA-N 337.400 4.677 0 40 EJAB O=C(CCCOc1ccc(Cl)cc1)N[C@H]1CCCc2ccccc21 44844636 YWZXCNXRFWDTCV-IBGZPJMESA-N 343.854 4.693 0 40 EJAB CC(C)Oc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3)no2)cc1 61997158 PYEHRMWERIMGGY-UHFFFAOYSA-N 340.354 4.520 0 40 EJAB Cc1cc(Cl)ncc1[C@H]1CCCN1C(=O)OCc1ccccc1 72217836 YQAUSZDECPTLBF-MRXNPFEDSA-N 330.815 4.517 0 40 EJAB Fc1cc(Br)ccc1-c1ccccc1CN1CCCC1 85479256 QXVVGYQLYZOWOR-UHFFFAOYSA-N 334.232 4.851 0 40 EJAB CC[C@@H](C)n1ncc(C(=O)Nc2ccc3ncccc3c2)c1C1CC1 89770932 JNMONROYLZMJBM-CYBMUJFWSA-N 334.423 4.532 0 40 EJAB O=C(NCC(c1ccccc1)c1ccccc1)N1CCc2ccccc21 89826333 XDRJOFWOAXPYHG-UHFFFAOYSA-N 342.442 4.591 0 40 EJAB CCN(C(=O)c1oc(C2CC2)nc1C)c1ccc(C(F)(F)F)cc1 225761285 SPSFGLCLPIIXHN-UHFFFAOYSA-N 338.329 4.546 0 40 EJAB Cc1ccccc1[C@H](C)NC(=O)[C@H](C)Oc1cccc2c1CCCC2 225866926 SHTZVQQFOAJYQC-IRXDYDNUSA-N 337.463 4.519 0 40 EJAB CCCCc1ccc(NC(=O)[C@H](CC)Oc2ccccc2OC)cc1 408680345 RHGWGWBPDPAOLA-SFHVURJKSA-N 341.451 4.834 0 40 EJAB Cc1cncc(-c2noc(C3(c4ccc(F)cc4F)CCCC3)n2)c1 546318218 CYOMWQHSLALLMK-UHFFFAOYSA-N 341.361 4.578 0 40 EJAB O=C(NCC1CC(F)(F)C1)[C@@H](c1ccccc1)c1ccc(Cl)cc1 615165980 DLSPGUPEWXWZLZ-KRWDZBQOSA-N 349.808 4.633 0 40 EJAB C[C@@H](Cc1csc2ccccc12)NC(=O)CSC1CCCC1 1888928867 FCXFZJPUTPLPFU-ZDUSSCGKSA-N 333.522 4.624 0 40 EJAB CC1(C)CCCC(C)(C)N1CCNCC12CC3CC(CC(C3)C1)C2 2382214973 IOZFOZOZNUVQMS-UHFFFAOYSA-N 332.576 4.836 0 40 EJAB CCc1ccccc1NC(=O)/C(Br)=C/c1ccccc1 113658 AUXPBEIIHQQXFD-QINSGFPZSA-N 330.225 4.624 0 40 EJAB Cc1c(-c2ccc(OCC(C)C)cc2)nc2ccccc2c1C(=O)O 115713 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12743344 GWADWOAZEOLGOJ-UHFFFAOYSA-N 344.798 4.586 0 40 EJAB CC(C)C(NC(=O)c1ccccc1OCc1ccccc1)C(C)C 13687047 ZJHIVQQDBGVEKJ-UHFFFAOYSA-N 325.452 4.676 0 40 EJAB Cc1ccc(-c2nc(CNC(=O)c3ccccc3Cl)cs2)cc1 15832471 XWCGWBVHFSAYRM-UHFFFAOYSA-N 342.851 4.702 0 40 EJAB Cc1c(-c2ccccc2)n[nH]c1C(=O)N[C@@H](c1cccs1)C(C)C 19555134 HBVBKNMRSRFFPS-MRXNPFEDSA-N 339.464 4.574 0 40 EJAB O=C1CC2(CCCCC2)Oc2c1ccc1c2CN(c2ccccc2)CO1 20727930 DRDATFKOUWHCLL-UHFFFAOYSA-N 349.430 4.711 0 40 EJAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cccs1 21580533 XVNLTKVUPNGISZ-UHFFFAOYSA-N 349.415 4.552 0 40 EJAB Clc1ccc(-c2noc(CN3CCC[C@@H]3c3cccs3)n2)cc1 21581243 QFPIZJRRLISJPZ-CQSZACIVSA-N 345.855 4.789 0 40 EJAB O=C(Cc1noc2ccccc12)Oc1ccccc1Cc1ccccc1 28241063 UNTDIZOHWPARAJ-UHFFFAOYSA-N 343.382 4.567 0 40 EJAB CCSc1ccccc1NC(=O)c1ccc(Br)cc1 37790931 ZJOHVXJXGYTZJH-UHFFFAOYSA-N 336.254 4.813 0 40 EJAB Cc1cc(F)ccc1NC(=O)N1CCCCC[C@@H]1c1ccncc1 45975252 GBCRSKGYZFOHFJ-GOSISDBHSA-N 327.403 4.678 0 40 EJAB O=C(NCc1cc(-c2ccccc2)on1)Nc1cccc2ccccc12 58179634 NJOAMHGGDBDSRC-UHFFFAOYSA-N 343.386 4.817 0 40 EJAB Cc1ccc([C@H](C)NC(=O)COc2ccccc2C(C)C)cc1C 59351190 PZSXULFKQQPGMP-KRWDZBQOSA-N 325.452 4.683 0 40 EJAB COC(=O)/C=C/c1ccc(-c2ccc(Br)cc2Cl)o1 72193694 YTFOMCXLHZANLE-QPJJXVBHSA-N 341.588 4.549 0 40 EJAB CC(C)n1ncc2c1N=C(O)CS[C@@H]2c1ccc(F)cc1Cl 95476303 QFXWHZKWNPQFKU-CQSZACIVSA-N 339.823 4.681 0 40 EJAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccc(F)cc1)c1ccc(C)c(C)c1 219328136 MHMSYNNCYQEBOB-VQTJNVASSA-N 343.442 4.867 0 40 EJAB CC(C)Oc1ccccc1C(=O)NCCSc1ccc(Cl)cc1 219731469 LFBDNOMGUNDJHO-UHFFFAOYSA-N 349.883 4.649 0 40 EJAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NC[C@H](C)c2ccccc2)c1 225133874 ODAXKPJJCNQIGN-ROUUACIJSA-N 339.479 4.806 0 40 EJAB S=C(NCCCc1ccccc1Cl)Nc1cccc(Cl)c1 225539512 PJCLLFHMYAHBNF-UHFFFAOYSA-N 339.291 4.913 0 40 EJAB CCCOc1ccc(NC(=O)C2(OCC)CCCC2)c2ccccc12 225829308 ZLNHJAQLNVQDPG-UHFFFAOYSA-N 341.451 4.916 0 40 EJAB C[C@]12CC[C@@H]3[C@H](CC[C@@H]4CCCC[C@@]43C)[C@H]1Cc1sc(N)nc12 239338748 LDZFZRSSOBEODZ-DSBQMYABSA-N 330.541 5.172 0 40 EJAB O=C(C[C@@H](c1ccsc1)n1cccc1)Nc1cccc2cccnc12 524735184 CUTYHGORHIKTBI-SFHVURJKSA-N 347.443 4.716 0 40 EJAB CCOc1ccc2nc(C)cc(Nc3ccc(OC)c(OC)c3)c2c1 71869 VDUGHUHRIQDYQK-UHFFFAOYSA-N 338.407 4.703 0 40 EJAB Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)NC1CC1 371618 QBZSFHYSVBGIST-UHFFFAOYSA-N 336.822 4.756 0 40 EJAB O=C(c1ccccc1)N1N=C(c2ccccc2)C[C@H]1c1cccs1 553910 CANXOKJCSQTLOW-SFHVURJKSA-N 332.428 4.740 0 40 EJAB COc1ccc(NC(=O)CSc2ccc(C)c(C)c2)cc1Cl 3473302 FFNYLUFHZUNHJG-UHFFFAOYSA-N 335.856 4.696 0 40 EJAB O=C(CSc1nc(-c2ccccc2)ns1)c1ccc(Cl)cc1 4167312 RLRSENDATWJEFV-UHFFFAOYSA-N 346.864 4.834 0 40 EJAB O=C(NC1C2CC3CC(C2)CC1C3)c1ccc(-c2ccccc2)cc1 4698670 PIIJQPFFBZAUTB-UHFFFAOYSA-N 331.459 4.908 0 40 EJAB CSc1nsc(SCn2c(=S)sc3ccccc32)n1 5738998 IGVIKJHOPMYTAZ-UHFFFAOYSA-N 343.549 4.755 0 40 EJAB Cc1ccc(C)c(C(=O)Nc2ccc(Br)cc2Cl)c1 6638577 OEXQZHZXHJTWNY-UHFFFAOYSA-N 338.632 4.972 0 40 EJAB CC(C)[C@H](NC(=O)c1cccc(Br)c1)c1cccs1 7078092 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COc1c(C)cccc1C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 14258486 HQSUPBICLDHQSN-UHFFFAOYSA-N 344.842 4.510 0 40 EJAB O=C(C[C@@H]1OC(=O)c2ccccc21)c1ccc(-c2ccccc2)cc1 16754149 ZRGSUYNMNUQMGM-NRFANRHFSA-N 328.367 4.838 0 40 EJAB Cc1c(Cl)ccc2c(N(C)Cc3ccccc3)c(C(=O)O)cnc12 19795493 OULNAJXXOXWGSK-UHFFFAOYSA-N 340.810 4.531 0 40 EJAB Cc1ccc(O[C@@H](C)C(=O)N[C@H](CC(C)C)c2ccccc2)cc1 20105147 JXJFUODVLHEOIS-FXAWDEMLSA-N 325.452 4.666 0 40 EJAB Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)c(F)c2)cc1C 21577749 OZADAAZCAQWUQY-UHFFFAOYSA-N 326.415 4.685 0 40 EJAB CCOc1cc(C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCC 33709108 ZLDNXJKGMYAQPO-UHFFFAOYSA-N 337.778 4.529 0 40 EJAB CC1=C[C@@H](C)[C@H](CNCCNC[C@H]2[C@@H](C)C=C(C)C[C@H]2C)[C@@H](C)C1 34378053 XPPZSKFTXPXUHK-ZCPXKWAGSA-N 332.576 4.642 0 40 EJAB Cc1ccc(NC(=O)N2CCC(c3nc4ccc(C)cc4[nH]3)CC2)cc1 35291858 QCRXMWRJJXOUSC-UHFFFAOYSA-N 348.450 4.591 0 40 EJAB O=C1N/C(=N\c2ccc(Cl)cc2Cl)S/C1=C/c1ccccc1 35644163 IGIUGQYTMMYYTB-RIYZIHGNSA-N 349.242 4.885 0 40 EJAB S=C1O[C@]2(C[C@@H]3CC[C@H]4CC[C@H]2[C@H]43)[C@@]2(C[C@@H]3CC[C@H]4CC[C@@H]2[C@H]43)O1 71785669 LVXICQLAEIUOJT-NCJAPSHSSA-N 344.520 4.708 0 40 EJAB Cc1nc(NCc2ccc(O)cc2)c2c(-c3ccccc3)csc2n1 84271664 JRBMOUHEKUMULA-UHFFFAOYSA-N 347.443 4.984 0 40 EJAB Cc1cc(C)c2[nH]c(C(=O)N3CC[C@H]3c3ccc(F)cc3)c(C)c2c1 91779465 XCDXDCYZIAVOIN-SFHVURJKSA-N 336.410 4.819 0 40 EJAB CC(C)CCNC(=O)C1(Cc2nc3ccccc3s2)CCCC1 94993215 VZSRPKNWPDLUFO-UHFFFAOYSA-N 330.497 4.562 0 40 EJAB C[C@@H](NCC1(c2ccccc2)CCCC1)c1ccc([S@@](C)=O)cc1 95967224 DVLREDXKWJKQDJ-OSPHWJPCSA-N 341.520 4.587 0 40 EJAB Cc1cc([C@@H](C)NCc2csc(-c3ccccn3)n2)c(C)s1 124999733 HKWDNUZXCFRMJP-GFCCVEGCSA-N 329.494 4.734 0 40 EJAB Cc1nc2ccc(Cl)cn2c1-c1nnc(-c2ccc(Cl)cc2)o1 216606754 DCJKETLHPOXCAF-UHFFFAOYSA-N 345.189 4.667 0 40 EJAB Cc1ccc(O[C@@H](C)C(=O)NCc2ccc3ccccc3c2)c(C)c1 222801154 PZFFXNCEGLZJLI-KRWDZBQOSA-N 333.431 4.540 0 40 EJAB Cc1cc(C)c(C[C@@H](Oc2ccc(C(C)(C)C)cc2)C(=O)O)c(C)c1 225136220 SUWSTVRKNBVRLR-HXUWFJFHSA-N 340.463 4.984 0 40 EJAB CCOc1ccccc1CCCNC(=S)Nc1ccc(C)c(C)c1 225394862 OFKSUISYZAQPPO-UHFFFAOYSA-N 342.508 4.621 0 40 EJAB Cc1cc([C@H](C)N[C@H](C)c2nnc(-c3cccc(F)c3)s2)c(C)o1 225577308 YSKCVVDJLTYHON-NWDGAFQWSA-N 345.443 4.966 0 40 EJAB Cc1cc(C)cc(NC(=S)NCCCSCc2ccco2)c1 225592656 UKPYMRQTNXGMPZ-UHFFFAOYSA-N 334.510 4.506 0 40 EJAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCC(C)C)c(C)c1 225624038 BZQUICBOFPCUFI-FQEVSTJZSA-N 335.488 4.954 0 40 EJAB Cc1ccccc1[C@@H](C)NC(=S)Nc1ccc(Br)cc1 225752727 JFRSPBBQVSZHNP-GFCCVEGCSA-N 349.297 4.805 0 40 EJAB COc1cccc(NC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c1 225761125 PMKDOECOOABVGW-AWEZNQCLSA-N 326.440 4.875 0 40 EJAB Oc1nc(SCc2ccc(Cl)cc2Cl)nc2sccc12 408597831 BRMQIAKLMUWYNZ-UHFFFAOYSA-N 343.260 4.996 0 40 EJAB Cc1ccccc1Oc1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1 408601622 AXHLVAQSVUUXOS-UHFFFAOYSA-N 347.370 4.768 0 40 EJAB Cc1cccc(-n2c(Sc3ccccn3)nnc2-c2ccccc2)c1 409106787 PCHZYHUXXKSYFQ-UHFFFAOYSA-N 344.443 4.789 0 40 EJAB O=C(c1cc(OC(F)(F)F)ccc1Cl)C(Cl)(Cl)Cl 575361422 CZJIFMZFJJCCJC-UHFFFAOYSA-N 341.927 4.792 0 40 EJAB CN(C(=O)C[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc2cc[nH]c2c1 1525211397 COBNDTRRZIAYLT-TZMCWYRMSA-N 338.373 4.890 0 40 EJAB Fc1ccc(-c2ccccc2I)c(Cl)c1 1857793401 YMTWGDZVIQDUDA-UHFFFAOYSA-N 332.543 4.751 0 40 EJAB Cc1cccc2sc(NC(=O)c3ccc(Br)cc3)nc12 190901 HDBAIKKRBLXFDY-UHFFFAOYSA-N 347.237 4.620 0 40 EJAB COc1ccc(Cl)cc1NC(=O)c1oc2ccc(F)cc2c1C 387720 KTBFWAHGULDLKE-UHFFFAOYSA-N 333.746 4.795 0 40 EJAB COc1ccc(-c2csc(NC(=O)OCc3ccccc3)n2)cc1 3305932 ZUBFSQFHSLRIBL-UHFFFAOYSA-N 340.404 4.567 0 40 EJAB O=C(Cc1c[nH]c2ccccc12)NC(c1ccccc1)c1ccccc1 3328079 KSINCLDYCTVNBM-UHFFFAOYSA-N 340.426 4.616 0 40 EJAB CCN1C(=O)S/C(=C/c2ccccc2Sc2ccccc2)C1=O 5900661 QXFRMZNALHKDJG-FOWTUZBSSA-N 341.457 4.894 0 40 EJAB Cc1ccc(-c2csc(NC(=O)Cc3ccccc3Cl)n2)cc1 6341740 JVWWCEZUUBTDSF-UHFFFAOYSA-N 342.851 4.953 0 40 EJAB C[C@H]1c2ccsc2CCN1C(=O)c1csc(-c2ccsc2)n1 7830767 ZVTNRMQEGKRTTJ-JTQLQIEISA-N 346.502 4.693 0 40 EJAB CC[C@H](Oc1ccccc1F)C(=O)Nc1cccc(Cl)c1Cl 8040906 BITWDLPPPHNJHR-ZDUSSCGKSA-N 342.197 4.929 0 40 EJAB C[C@H](c1ccccc1)c1nnc(NC(=O)c2cccc(Cl)c2)s1 8769159 RIUABZMUEJJVEC-LLVKDONJSA-N 343.839 4.596 0 40 EJAB CCOc1cccc(NC(=O)CSCc2ccccc2Cl)c1 10294103 YMWYCAMPNKXWHT-UHFFFAOYSA-N 335.856 4.611 0 40 EJAB CCOc1ccc([C@H](C)NC(=O)CSc2ccc(Cl)cc2)cc1 11171749 LUCDBQLMZYAAAU-ZDUSSCGKSA-N 349.883 4.708 0 40 EJAB Cc1cccc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)c1 14206254 VWKBJCPVEWRYAG-UHFFFAOYSA-N 340.810 4.875 0 40 EJAB c1cnc2[nH]c([C@H]3CCCO3)c(CN3CCC[C@@H]4CCCC[C@@H]43)c2c1 19345193 KWOGBUGUEBNTRS-ZYSHUDEJSA-N 339.483 4.569 0 40 EJAB Cc1ccc([C@H](C)NC(=O)[C@H](C)Oc2cccc3ccccc23)cc1 20039983 WKWJLMSFLDHEPU-IRXDYDNUSA-N 333.431 4.793 0 40 EJAB Cc1ccc(-c2nc(CNC(=O)c3ccc(Cl)s3)cs2)cc1 20394168 UXWHJESXUMZUMH-UHFFFAOYSA-N 348.880 4.763 0 40 EJAB CCSc1ccccc1NC(=O)[C@H](C)Oc1ccccc1Cl 20458517 RWWFQLXEZBFNBK-LBPRGKRZSA-N 335.856 4.858 0 40 EJAB C[C@H](SCc1ccccc1)C(=O)N[C@@H]1CCCc2ccccc21 20493444 WEIKEJRICRNHPM-HNAYVOBHSA-N 325.477 4.502 0 40 EJAB Cc1ccc(-c2nc(N3C[C@H](C)C[C@@H](C)C3)nc3c2CCCC3)cc1 20798160 GKDSUAQWUPLPCC-IAGOWNOFSA-N 335.495 4.813 0 40 EJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1cccc(OC)c1 30864469 ULMJIMCOUXTERL-FQEVSTJZSA-N 335.403 4.645 0 40 EJAB O=C(Nc1cccc(-c2noc(C3CCCCC3)n2)c1)c1ccco1 32647786 UIJYJLYSHGPXBB-UHFFFAOYSA-N 337.379 4.630 0 40 EJAB Cc1ccc(NC(=O)c2cc3cc(Br)ccc3o2)cc1 41007090 XMSMSNXJHIRXSH-UHFFFAOYSA-N 330.181 4.756 0 40 EJAB CC1CCN(C(=O)c2ccc(-c3ccccc3Br)o2)CC1 41127327 DXFKVCNIAPBTGD-UHFFFAOYSA-N 348.240 4.581 0 40 EJAB O=C(Nc1ccccc1N1CCCC1)N1CC=C(c2ccccc2)CC1 43456739 QPKDIURONHAEKQ-UHFFFAOYSA-N 347.462 4.608 0 40 EJAB CCC(=O)Nc1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1 44790784 SDBPLFNYXCDADI-UHFFFAOYSA-N 344.414 4.954 0 40 EJAB FC(F)(F)c1cccc([C@H]2NCc3ccccc3-n3cccc32)c1 55211412 XFMJWEIWAAWRJQ-GOSISDBHSA-N 328.337 4.689 0 40 EJAB Cc1cc(NC(=S)Nc2ccccc2C(F)(F)F)ccc1F 67219593 QDBODKPQYJOWSW-UHFFFAOYSA-N 328.334 4.962 0 40 EJAB Cc1oc(-c2ccsc2)nc1CSc1nncc2ccccc12 69487153 IODTZLSIZPKTFL-UHFFFAOYSA-N 339.445 4.947 0 40 EJAB COc1ccc(NC(=S)Nc2ccc(F)cc2Cl)cc1Cl 71761756 RSHCBTTYMBYKMA-UHFFFAOYSA-N 345.226 4.950 0 40 EJAB CC(C)CN1CCCC[C@H]1c1cccnc1NC(=O)OC(C)(C)C 72214401 DWNPVPOQWAOLTB-INIZCTEOSA-N 333.476 4.612 0 40 EJAB CCO[C@@H](C)c1nc(CN[C@]2(C)CCCc3ccccc32)cs1 95960508 DBEZIRXABCBRRX-IFXJQAMLSA-N 330.497 4.582 0 40 EJAB COc1ccc([C@@H]2CC3=Nc4ccccc4N=CC3=C(O)C2)c(OC)c1 102581060 VLPVHJQOIHHFRN-CYBMUJFWSA-N 348.402 4.882 0 40 EJAB CC[C@H](Oc1ccc(C)cc1C)C(=O)N[C@@H]1CCCc2ccccc21 113970113 CEAJCLNXHXFEJO-UXHICEINSA-N 337.463 4.655 0 40 EJAB Cc1ccc(NC(=O)c2cccc(Nc3nc(C)cc(C)n3)c2)c(C)c1 170564521 JSJFMBNHFIDOKU-UHFFFAOYSA-N 346.434 4.706 0 40 EJAB O=C(/C=C/c1cccs1)N1CCCC[C@H](c2ccc(F)cc2)C1 211078018 ASUBWZPUUBZIGV-OFAQMXQXSA-N 329.440 4.697 0 40 EJAB COc1cc(Br)c2[nH]c(-c3ccccc3Cl)nc2c1 216915719 KKMBMLANNQNJRV-UHFFFAOYSA-N 337.604 4.654 0 40 EJAB C[C@H](NC(=O)[C@@H](C)Sc1ccccc1)c1ccc2c(c1)CCCC2 222905378 GDXHYLLRFSWFGD-JKSUJKDBSA-N 339.504 4.923 0 40 EJAB COc1ccc(/C=C/C(=O)Nc2ccc3c4c(cccc24)CC3)cc1 223379548 DZGSNAIVCWXDIU-VGOFMYFVSA-N 329.399 4.599 0 40 EJAB CN(C)[C@@H](C(=O)Nc1ccc2c(c1)oc1ccccc12)c1ccccc1 225149934 ZDUXTCXUHILBNE-OAQYLSRUSA-N 344.414 4.827 0 40 EJAB CC(C)OC(=O)c1cc(N)ccc1Nc1cc(Cl)cc(Cl)c1 225476528 GACBKSILSQCUSI-UHFFFAOYSA-N 339.222 4.884 0 40 EJAB Cc1ccc(S[C@H](C)C(=O)NC(C)(C)Cc2ccccc2)cc1 225630259 JGOSAMPRMPIPQF-MRXNPFEDSA-N 327.493 4.613 0 40 EJAB Cc1ccccc1[C@H](NC(=S)Nc1ccc(F)c(F)c1)C(C)C 225761236 TZMUZADYKYPTNQ-QGZVFWFLSA-N 334.435 4.957 0 40 EJAB C[C@@H](Nc1ccc(NC(=O)N2CCCCCC2)cc1)[C@@H]1CC1(F)F 585141467 WLAJWTIMFWENNZ-CJNGLKHVSA-N 337.414 4.550 0 40 EJAB Fc1ccccc1CNc1ccn(-c2ccc(Cl)cc2Cl)n1 1620883193 QLDBYUMDMNPOEB-UHFFFAOYSA-N 336.197 4.930 0 40 EJAB Cc1cc(OC(=O)c2ccc(Br)o2)cc(C)c1Cl 1099234 BELFUSIVRDPCNT-UHFFFAOYSA-N 329.577 4.532 0 40 EJAB CC(C)Nc1nc(Sc2ccc(F)cc2)cc(C(F)(F)F)n1 1396733 XVLOPIYTXQPYOP-UHFFFAOYSA-N 331.338 4.606 0 40 EJAB O=C(c1ccc(Cl)cc1Cl)c1ccccc1CN1CC=CC1 2515911 RGWOXKPCCPJDTA-UHFFFAOYSA-N 332.230 4.596 0 40 EJAB Cc1ccc(/C=C/C(=O)Oc2ccc(OCc3ccccc3)cc2)o1 3341157 UMAWAXQTGVGYRN-BUHFOSPRSA-N 334.371 4.786 0 40 EJAB CCCOC(=O)c1c(NC(=O)C(C)(C)C)sc2c1CCCCC2 4628859 LBWPSANUFVGMEV-UHFFFAOYSA-N 337.485 4.568 0 40 EJAB COc1cc(NCCN(CC(C)C)[C@@H](C)C(C)C)c2ncccc2c1 5834711 QOFYEMDBVKFVBT-KRWDZBQOSA-N 343.515 4.658 0 40 EJAB CCCN1C(=O)c2ccccc2N[C@@H]1c1cccc(C(F)(F)F)c1 7886476 OJBPVOJRUNCPJD-INIZCTEOSA-N 334.341 4.682 0 40 EJAB C[C@H](NC(=O)CSc1ccccc1F)c1cc2ccccc2o1 19047584 FCQGWVGBHGIWGI-LBPRGKRZSA-N 329.396 4.541 0 40 EJAB COc1ccc(CCNCc2ccc(-c3ccccc3Cl)o2)cc1 20876055 VNINPGOTSDDRKY-UHFFFAOYSA-N 341.838 4.941 0 40 EJAB Cc1cc(C)c2c(C)c(C(=O)Nc3nonc3-c3ccccc3)oc2c1 27663412 KITIUHAFVLYVPD-UHFFFAOYSA-N 347.374 4.660 0 40 EJAB CC(C)(C)c1nc(CN2CCC(C(=O)c3ccccc3)CC2)cs1 29718207 UNJXKIHKCUGLIL-UHFFFAOYSA-N 342.508 4.536 0 40 EJAB CC(C)=C[C@@H]1[C@@H](C(=O)Nc2cccc(-c3ccnc(C)n3)c2)C1(C)C 31800550 PVMHWBYPJBYGBG-MJGOQNOKSA-N 335.451 4.629 0 40 EJAB COc1ccc(CNc2ccc(F)c(Cl)c2)cc1Br 35018416 CUAWSYDHZMONBQ-UHFFFAOYSA-N 344.611 4.862 0 40 EJAB CCc1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)cc1 57412467 RCGCFZVFYIHNCG-UHFFFAOYSA-N 325.799 4.545 0 40 EJAB CCc1cccc2c(C(=O)CN3CCC[C@H]3c3cccs3)c[nH]c12 58160801 KVPVOQIYZTYSHG-KRWDZBQOSA-N 338.476 4.812 0 40 EJAB C[C@@H]1c2ccsc2CCN1C(=O)c1c(Cl)c2ccccc2n1C 58345183 JKKIMGOZXOBEOU-LLVKDONJSA-N 344.867 4.653 0 40 EJAB Cc1ccc([C@H](C)NC(=O)c2ccc(Br)cc2)cc1C 59351093 QNSCUCSZYVNPAJ-ZDUSSCGKSA-N 332.241 4.557 0 40 EJAB Cc1nc(NC2CCCCC2)sc1C(=O)NC1CCC(C)CC1 71326677 BLYASFBVUUCUER-UHFFFAOYSA-N 335.517 4.505 0 40 EJAB O=C(O)c1cccc2c1N[C@H](c1ccc(F)cc1)[C@@H]1[C@@H]2[C@@H]2CC[C@@H]1C2 100263787 XRZXZBRJZSEQSF-JRHNHFRFSA-N 337.394 4.820 0 40 EJAB CCOc1ccc(C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1 219953980 CFGDXGDUGPPLLW-HNNXBMFYSA-N 325.452 4.874 0 40 EJAB CC[C@@H](Oc1ccccc1C)C(=O)NCc1ccc2ccccc2c1 222795490 LVRQUDUGIMEORX-HXUWFJFHSA-N 333.431 4.622 0 40 EJAB CCCC[C@@H](CC)CNC(=O)CSCc1cccc(Cl)c1 223404444 IQXVHWNJPHIMDX-CQSZACIVSA-N 327.921 4.906 0 40 EJAB C[C@H](CC(C)(C)c1ccccc1)NC(=S)Nc1ccc(F)cc1 225659051 JHFSQSFVDUGGJH-CQSZACIVSA-N 330.472 4.869 0 40 EJAB CCc1cccc(C)c1NC(=O)c1snnc1-c1ccc(C)cc1 225773687 KPELBMLONJVJEG-UHFFFAOYSA-N 337.448 4.637 0 40 EJAB CCCCOc1ccc(NC(=O)C2(OCCC)CCCCC2)c(C)n1 225909655 PBXFFNIEJCFIQZ-UHFFFAOYSA-N 348.487 4.637 0 40 EJAB COc1ccc2c(Cl)c(C(=O)NC(C)(C)C)sc2c1Cl 408969973 YALZOXSOHQUJNJ-UHFFFAOYSA-N 332.252 4.745 0 40 EJAB c1ccc(-c2ccccc2OCc2nnc([C@@H]3CCCCO3)o2)cc1 521393764 FSHMHFIXOKEVGR-SFHVURJKSA-N 336.391 4.557 0 40 EJAB CSC1CCN(C(=O)c2sccc2-c2ccc(C)cc2)CC1 601697052 AIQBMPMMHFJBKU-UHFFFAOYSA-N 331.506 4.691 0 40 EJAB CC(=O)Oc1cc(C(=O)Nc2ccc(Cl)cc2)cc2ccccc12 156944 NFFLURNUCKFRNT-UHFFFAOYSA-N 339.778 4.671 0 40 EJAB Cc1ccccc1C(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1 190411 WAZUSCRJGATZGG-UHFFFAOYSA-N 327.387 4.791 0 40 EJAB Cn1c(SCc2cccc3ccccc23)nnc1-c1cccs1 530925 LIVXPYFLGUHNCW-UHFFFAOYSA-N 337.473 4.989 0 40 EJAB FC(F)(F)c1nc2ccccc2n2c(-c3ccc(Cl)cc3)nnc12 1381973 PEOTYDSXVIEYAM-UHFFFAOYSA-N 348.715 4.617 0 40 EJAB CCCOC(=O)c1ccc(NC(=O)Cc2cccc3ccccc23)cc1 1795183 KWCVCRZJLMKCNG-UHFFFAOYSA-N 347.414 4.588 0 40 EJAB Cc1nc2ccc(Nc3ncnc4sc5c(c34)CCC5)cc2s1 3250855 CBASCMRBNOEVET-UHFFFAOYSA-N 338.461 4.842 0 40 EJAB C[C@H](N[C@@H]1CCCc2ccccc21)C(=O)Nc1ccc2ccccc2c1 3476765 AOFYTWRPMZATHC-KSFYIVLOSA-N 344.458 4.834 0 40 EJAB O=C(Cc1ccc(Cl)c(Cl)c1)N[C@@H]1CCCc2ccccc21 3608527 BXMURUVPQAFJKM-QGZVFWFLSA-N 334.246 4.730 0 40 EJAB CSc1nc(C)c2c(n1)N(c1ccc(Cl)c(Cl)c1)CC2 4052033 JKRFXAKOTWDVKE-UHFFFAOYSA-N 326.252 4.508 0 40 EJAB COc1ccc2nc(Nc3nc4c(s3)C[C@H](C)CC4)sc2c1 4137726 RMRUUBCNQNKVGB-SECBINFHSA-N 331.466 4.630 0 40 EJAB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc2ccccc2c1 6152888 RPZMYNHDSZJVFL-ZDUSSCGKSA-N 325.795 4.899 0 40 EJAB Cc1csc(SCC(=O)Nc2ccc(-c3ccccc3)cc2)n1 6649303 LKPNXEJASBJNEO-UHFFFAOYSA-N 340.473 4.849 0 40 EJAB Cc1ccc(Cn2c([C@@H](C)N3CCCCC3)nc3ccccc32)cc1 7343623 ZYXOUXHVJHAXIM-GOSISDBHSA-N 333.479 4.940 0 40 EJAB CCCOc1ccc(C(=O)N(Cc2ccco2)Cc2ccco2)cc1 8613792 GHDHYORLINMKQR-UHFFFAOYSA-N 339.391 4.504 0 40 EJAB Cc1c2c(cc3c4c(c(=O)oc13)CCC4)C=C[C@@]1(CCC[C@@H](C)C1)O2 9340860 YBQWDODECSFRAJ-MCMMXHMISA-N 336.431 4.945 0 40 EJAB Cc1ccc(CC(=O)NCCSCc2ccccc2Cl)cc1C 10009775 KRLFUYPHPQBOHR-UHFFFAOYSA-N 347.911 4.549 0 40 EJAB Cc1ccc(Nc2ncc3c(n2)C[C@@H](c2ccc(C)cc2)CC3=O)cc1 10156571 AVGPSGDDMURDIT-QGZVFWFLSA-N 343.430 4.750 0 40 EJAB O=C(Nc1nc2c(s1)CCCCC2)c1cc(Cl)ccc1Cl 12816550 JRTHVSBNBLCNOR-UHFFFAOYSA-N 341.263 4.971 0 40 EJAB Cc1ccccc1[C@@H](C)NC(=O)c1sc(-c2cccs2)nc1C 12860674 AALOQOOGLWNAEV-GFCCVEGCSA-N 342.489 4.979 0 40 EJAB COc1ccc(NC(=S)Nc2cccc(Cl)c2)cc1Cl 13935119 FFGLUYHSYKQLPS-UHFFFAOYSA-N 327.236 4.811 0 40 EJAB C[C@H](Sc1nnc(NCc2ccco2)s1)c1ccc(F)cc1 14165452 NZFHAGBQAFVDNA-JTQLQIEISA-N 335.429 4.736 0 40 EJAB O=C(Nc1cccc(C(F)(F)F)c1)N1CC[C@@H]2CCCC[C@@H]2C1 16399324 SNQOWJOMZKTFDQ-QWHCGFSZSA-N 326.362 4.749 0 40 EJAB COCc1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)C(C)C)cc1 24965808 SSHPDWKQYCGKDT-GOSISDBHSA-N 331.843 4.614 0 40 EJAB Cc1cccn2c(NC(=O)c3ccccc3)c(-c3ccc(F)cc3)nc12 26964256 ZTSDVKUPWWZAIA-UHFFFAOYSA-N 345.377 4.701 0 40 EJAB Cc1ccn(-c2ccc(NC(=O)Nc3cccc4ccccc34)cc2)n1 28219945 UZSHDOFYKSDYMD-UHFFFAOYSA-N 342.402 4.978 0 40 EJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCCc1ccc(C)cc1 30861306 CJRQIVQAUGLSRK-OAQYLSRUSA-N 339.479 4.518 0 40 EJAB CCOc1ccccc1C(=O)Nc1cccnc1Oc1ccccc1 36390828 AXMDFIVUZSJLJL-UHFFFAOYSA-N 334.375 4.525 0 40 EJAB CC[C@H]1CN2CC[C@H]1C[C@@H]2CNCc1ccc(-c2ccccc2)cc1 39560682 RTPVGQWZNXAHQL-AJSBUHFISA-N 334.507 4.564 0 40 EJAB biogenic,in-vitro COC(=O)/C=C/c1ccc(-c2cc(C)c(Br)cc2C)o1 45957924 SRZDVJDQSUXGED-FNORWQNLSA-N 335.197 4.512 0 40 EJAB Cc1cccc([C@@H]2CCCN2C(=O)Cc2coc(-c3ccccc3)n2)c1 56001452 LMQMMKLVTOUBME-FQEVSTJZSA-N 346.430 4.556 0 40 EJAB Cc1cc(C)cc(O[C@H](C)C(=O)N[C@H](C)c2ccc(C)cc2C)c1 59351621 PZAHXUNZLATZCF-QZTJIDSGSA-N 325.452 4.565 0 40 EJAB CC(C)C[C@@H](NC(=O)CCCc1ccccc1)c1nc2ccccc2[nH]1 60605599 XPCRTAWYOXZUNX-HXUWFJFHSA-N 349.478 4.789 0 40 EJAB CCCCCn1c(SCc2ccccc2)nc2ccsc2c1=O 67259647 GYZGOMFRQKCRKE-UHFFFAOYSA-N 344.505 4.941 0 40 EJAB Cc1nn(C(C)C)c(C)c1NC(=O)c1cnc(-c2ccsc2)s1 71900131 NAJHOBFUZKOFCK-UHFFFAOYSA-N 346.481 4.518 0 40 EJAB CC[C@H](C)Nc1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)cn1 72213554 GLABRFUAESHSMK-HOCLYGCPSA-N 333.476 4.754 0 40 EJAB COc1ccc(-c2cnc(CN3CCC[C@@H]4CCCC[C@@H]43)o2)cc1 83952290 HULCOLKOTPWQNK-YJBOKZPZSA-N 326.440 4.505 0 40 EJAB Cc1csc(/C(=C/c2cccs2)c2nc3ccccc3n2C)n1 96891583 NWDQTTHPLOKHFU-GXDHUFHOSA-N 337.473 4.989 0 40 EJAB O=C(O)CC/C(=C/c1cc(F)ccc1F)c1nc2ccccc2s1 97147308 FNOWFDGNDJJWES-LUAWRHEFSA-N 345.370 4.980 0 40 EJAB COc1ccccc1-c1cccc(NC(=O)N[C@H](C)c2cccnc2)c1 111774716 ILDOYXRTTSASOT-OAHLLOKOSA-N 347.418 4.640 0 40 EJAB CC[C@H](Oc1ccc(C)cc1C)C(=O)N[C@H]1CCCc2ccccc21 113970118 CEAJCLNXHXFEJO-PMACEKPBSA-N 337.463 4.655 0 40 EJAB CCOc1cccc(NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)c1 223390570 XXDFVLHZCPIKDN-INIZCTEOSA-N 341.451 4.923 0 40 EJAB C[C@@H](CNC(=O)/C(=C/c1ccco1)c1ccccc1)c1ccccc1 223430082 KNCFHUSMSCOPNT-LBSLPOPVSA-N 331.415 4.740 0 40 EJAB CCCCOCc1cc(C(=O)Nc2ccccc2C)ccc1OC 224435081 YVLHGQOMCACNGY-UHFFFAOYSA-N 327.424 4.573 0 40 EJAB CC[C@@H](NC(=O)c1ccc(OC)c(Cl)c1)c1ccc(C)cc1C 225800207 PTKPHGPADAJXQH-QGZVFWFLSA-N 331.843 4.847 0 40 EJAB Nc1nc2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2s1 226309234 ZTMXNEIKICVFCM-UHFFFAOYSA-N 345.427 4.798 0 40 EJAB O=Cc1ccc(-c2ccc(C(=O)OCc3ccc(Cl)cc3)cc2)o1 409178572 MXBARTWKXHRTRO-UHFFFAOYSA-N 340.762 4.770 0 40 EJAB O=C(c1ccc(NCc2cccnc2C(F)(F)F)cc1)C1CCC1 530111931 KDMZJOQWEOHJFA-UHFFFAOYSA-N 334.341 4.695 0 40 EJAB O=C(OCCN1CCCCCC1)[C@@H](c1ccsc1)C1CCCCC1 132 MMNICIJVQJJHHF-LJQANCHMSA-N 349.540 4.831 0 40 EJAB in-man Cc1cc2cc3c(cc2nc1SCc1ccc(F)cc1)OCO3 415397 IQXBWXRGDIUPMY-UHFFFAOYSA-N 327.380 4.703 0 40 EJAB CCC(=O)N(CC[C@@]1(C(C)C)CCOC(C)(C)C1)Cc1ccco1 489048 USRZTGCJRCJWQW-HXUWFJFHSA-N 335.488 4.640 0 40 EJAB CSc1ncccc1C(=O)Nc1ccccc1Oc1ccccc1 515898 TXMFWVLMLXBLBH-UHFFFAOYSA-N 336.416 4.848 0 40 EJAB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(C(F)(F)F)cc1 2168852 MITKUOWZEYLDJH-UHFFFAOYSA-N 333.231 4.977 0 40 EJAB CCCCn1nc(NC(=O)c2ccco2)c2cc3cc(C)ccc3nc21 2394610 NEXCTHRIJGHFJL-UHFFFAOYSA-N 348.406 4.538 0 40 EJAB CC[C@H](C)c1ccc([C@H](CC)N2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1 2733154 WKKACERQTVEMHY-FZDIXFNVSA-N 327.468 4.826 0 40 EJAB O=C(COc1ccc2c(c1)[nH]c1ccccc12)NC1CCCCCC1 3357323 KWFNMDHERYEPTC-UHFFFAOYSA-N 336.435 4.539 0 40 EJAB COc1ccc([C@@H](NC(=O)c2ccc(C)cc2)c2ccccc2)cc1 6995306 ONLMGCAZSHYWLE-NRFANRHFSA-N 331.415 4.523 0 40 EJAB Cc1nnc(S[C@H](C(=O)c2ccccc2)c2ccccc2)n1C1CC1 7617360 KJGMITYIPFWJMZ-IBGZPJMESA-N 349.459 4.638 0 40 EJAB C[C@H](NC(=O)c1ccccc1C(F)(F)F)c1ccc(Cl)cc1 7644680 FKUKEJDIVOXYQL-JTQLQIEISA-N 327.733 4.850 0 40 EJAB c1cncc(CN2CCCCC[C@H]2c2cc(-c3cccs3)on2)c1 12143924 PMSKDPJJHHVPMJ-KRWDZBQOSA-N 339.464 4.915 0 40 EJAB O=C(O)c1cccc(NC(=O)c2sc3ccccc3c2Cl)c1 13094553 CDMRHVAXNRAQOM-UHFFFAOYSA-N 331.780 4.505 0 40 EJAB Cc1ccc(C(=O)O)cc1NC(=O)c1ccc(-c2ccccc2)cc1 13169704 HWQCHZPCAPRDEZ-UHFFFAOYSA-N 331.371 4.613 0 40 EJAB Cc1cc(C)cc(OCC(=O)NC(c2ccccc2)c2ccccc2)c1 14399263 IJEYVQGFOKIEIV-UHFFFAOYSA-N 345.442 4.588 0 40 EJAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(F)c(F)c1 14400607 PSWWGSPPXYNHRJ-GFCCVEGCSA-N 333.378 4.668 0 40 EJAB Cc1cc(-c2ccccc2)cc([C@@H]2CCCN2C(=O)C2CCCC2)n1 19690602 HIOUEUCXELCDHB-NRFANRHFSA-N 334.463 4.911 0 40 EJAB Cc1ccc(-c2c(C)sc3nc(Cc4ccccc4)[nH]c(=O)c23)cc1 20370882 FIWTWMDMLPZHGJ-UHFFFAOYSA-N 346.455 4.859 0 40 EJAB Cc1cccc(-c2nc(CC(=O)Nc3ccc4[nH]ccc4c3)cs2)c1 32095700 UVGVHHWPMHCHOS-UHFFFAOYSA-N 347.443 4.781 0 40 EJAB COc1cccc(NC(=O)CS[C@@H](C)c2ccccc2Cl)c1 33047577 HKLPTHHQDASADE-LBPRGKRZSA-N 335.856 4.782 0 40 EJAB CCc1ccc(-c2csc(NC(=O)c3scnc3Cl)n2)cc1 40146524 GYLUQVKTDALGNL-UHFFFAOYSA-N 349.868 4.735 0 40 EJAB Cc1cc(/C(=C2\OC(=O)c3ccccc32)[N+](=O)[O-])c(C)c2ccccc12 59382554 BEYPYTBVZWMTQC-FMQUCBEESA-N 345.354 4.730 0 40 EJAB Fc1ccc(-c2cccc([C@H]3CCCN(Cc4cccnc4)C3)n2)cc1 72348835 YMOCWUUGHXYCNJ-IBGZPJMESA-N 347.437 4.662 0 40 EJAB CC[C@@H](N[C@H](C)c1cnccn1)c1ccc(OC2CCCC2)cc1 95967882 JZVARWKCSFVUCT-DNVCBOLYSA-N 325.456 4.600 0 40 EJAB Cc1cccc(C(C)C)c1NS(=O)(=O)C[C@H](C)c1ccccc1 95995790 XHQXJBJIOAATPH-INIZCTEOSA-N 331.481 4.664 0 40 EJAB CC1(C)[C@H]2[C@H](O)C[C@]3(C)CCC[C@@]2(C[C@H]1OC(=O)c1ccccc1)C3 104228656 OXQJARXRUUEAIC-SCFBQEJPSA-N 342.479 4.589 0 40 EJAB CC[C@H](NC(=O)CCc1ccccc1Cl)c1ccc(OC)c(C)c1 223386226 LCXAUSIFMBCBRF-SFHVURJKSA-N 345.870 4.857 0 40 EJAB O=C(O)[C@H](Cc1ccccc1F)Oc1ccc(-c2ccccc2)cc1 225051193 BKBLSQRHFXPPRL-FQEVSTJZSA-N 336.362 4.567 0 40 EJAB CCN(c1cccc(C)c1C)S(=O)(=O)c1ccc2ccccc2c1 225051957 LKIJVVUMXAJFEA-UHFFFAOYSA-N 339.460 4.672 0 40 EJAB CC[C@@H](NC(=S)Nc1ccc(F)cc1)c1ccc(OC)c(C)c1 225461873 TYNAGVODOXNDQZ-MRXNPFEDSA-N 332.444 4.580 0 40 EJAB Cc1ccc(NC(=S)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)cc1 225676875 MBOCQAXCKCEFNU-KRWDZBQOSA-N 340.492 4.892 0 40 EJAB Fc1cc(Cl)ccc1[C@H]1CC[C@@H]1c1nc(-c2cncs2)no1 579200267 REULZFWOSJVZRP-KOLCDFICSA-N 335.791 4.647 0 40 EJAB c1ccc(C(CNc2ncnc3ccsc23)c2ccccc2)cc1 1641965533 SCVAUDIYPJBKTE-UHFFFAOYSA-N 331.444 4.935 0 40 EJAB Cc1ccc2oc(=O)c(-c3ccc(Br)cc3)c(C)c2c1 57973 NEYOXGRIVVSLDE-UHFFFAOYSA-N 329.193 4.839 0 40 EJAB biogenic COc1cc2c(c3c1C(=O)C[C@H](c1ccccc1)O3)C=CC(C)(C)O2 86467 ITOTUSMHIQFNHJ-MRXNPFEDSA-N 336.387 4.586 0 40 EJAB biogenic,in-vitro Cc1nc(-c2ccc(NC(=S)Nc3ccccc3)cc2)cs1 574058 TVPFUNXSDHTDIY-UHFFFAOYSA-N 325.462 4.927 0 40 EJAB COc1cc(NCCCCCNC2CCCCC2)c2ncccc2c1 1666859 JHCYTGNMORVIKN-UHFFFAOYSA-N 341.499 4.748 0 40 EJAB Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCCCCCC2)cc1 3354454 HPZLTLBIDNOKFX-OAQYLSRUSA-N 336.479 4.941 0 40 EJAB O=C(COc1ccc(Cl)c2ccccc12)Nc1cccnc1Cl 3458292 DDNWWEOGIUFFAL-UHFFFAOYSA-N 347.201 4.559 0 40 EJAB CCC[C@H](C)NCCCCCNc1cc(OC)cc2cccnc12 5422078 HEVXURVVVADILY-INIZCTEOSA-N 329.488 4.604 0 40 EJAB Cc1ccc(NC(=O)Cc2csc(-c3ccccc3)n2)c(Cl)c1 5637075 RRWGREUGRRICQJ-UHFFFAOYSA-N 342.851 4.953 0 40 EJAB CC[C@H](C)Oc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1 6440716 STEYLWZGNIRUOG-HILYYZTDSA-N 327.468 4.563 0 40 EJAB CC[C@@H](C)c1ccc(NC(=O)[C@H](C)N(C)Cc2ccccc2F)cc1 6872979 BZMUUPYJEWJFRW-CVEARBPZSA-N 342.458 4.798 0 40 EJAB Cc1ccc2cccc(NC(=O)[C@H](C)Oc3ccc(C)c(C)c3)c2n1 8587519 VBHBMOFFCYKRPI-INIZCTEOSA-N 334.419 4.566 0 40 EJAB O=C(Nc1onc2c1CCCC2)c1ccc(Oc2ccccc2)cc1 8976608 MNQSIHLKSPLFFU-UHFFFAOYSA-N 334.375 4.598 0 40 EJAB O=C1c2ccccc2N[C@H](c2ccc(-c3ccc(F)cc3)o2)N1C1CC1 12533028 HMHFRSRJKKEHNM-FQEVSTJZSA-N 348.377 4.815 0 40 EJAB O=C(CSc1nc(-c2ccco2)nc2ccccc12)c1ccccc1 12804307 WTTACFZPKSGHCE-UHFFFAOYSA-N 346.411 4.865 0 40 EJAB O=C(/C=C/c1ccccc1)N1CCC[C@H]1c1nc2ccccc2s1 12989927 DOFAPCLFYIOPPP-UJGDBWEASA-N 334.444 4.673 0 40 EJAB CCc1cccc(Nc2nc(-c3cccnc3)nc3ccccc23)c1 13140941 UVAPDKPAIYQGJV-UHFFFAOYSA-N 326.403 4.998 0 40 EJAB Cc1cc(C)cc(OCC(=O)N[C@@H](CC(C)C)c2ccccc2)c1 30849061 WOEFLZYIPNEUDF-FQEVSTJZSA-N 325.452 4.586 0 40 EJAB COc1ccccc1Nc1c(-c2ccc(O)cc2)nc2cc(C)ccn12 35615979 NYISEMSAWKGSNP-UHFFFAOYSA-N 345.402 4.768 0 40 EJAB Cc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)c(C)c1 40913168 ZEFWWPJDWVBEBA-OAHLLOKOSA-N 331.843 4.980 0 40 EJAB O=C(c1nc(Cl)ccc1Cl)N(C1CCCC1)C1CCCC1 58330663 ZSQDLMYZSZKLIN-UHFFFAOYSA-N 327.255 4.716 0 40 EJAB O=C(OCc1ccccc1)N1CCC[C@@H]1c1cnc2ccccc2c1 72219562 MUAKCLZBEOEHMW-HXUWFJFHSA-N 332.403 4.709 0 40 EJAB CCc1cnc([C@@H](C)NCc2coc(-c3ccc(C)cc3)n2)s1 85332104 PLAVCKNKFXGTJP-CYBMUJFWSA-N 327.453 4.520 0 40 EJAB CC(C)C[C@@H](NC(=O)c1ccccc1OC(C)C)c1ccccc1 219742963 KCDGNMRVNJIZCP-LJQANCHMSA-N 325.452 4.991 0 40 EJAB CC[C@H](Oc1ccccc1C)C(=O)NCc1cccc2ccccc12 222872165 VKRHUTYSSSFTME-FQEVSTJZSA-N 333.431 4.622 0 40 EJAB CC1=C2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H]3CC[C@]4(C)O)[C@@]2(C)Cc2cnoc21 306120913 AAHNYFCTPITCHA-WQJOUJQDSA-N 341.495 4.998 0 40 EJAB CCCCOc1ccc(C(=S)NCc2ccc(CC)cc2)cc1 408578151 WDSCGZFCRMCYPL-UHFFFAOYSA-N 327.493 4.893 0 40 EJAB CCC(CC)C(=O)N1CCC[C@]12CN(c1cccc(F)c1)C(C)(C)C2 1615122190 PTFBUXJYGGROGK-NRFANRHFSA-N 346.490 4.612 0 40 EJAB CCC(CC)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 363702 TVERQTIQXMXNEX-UHFFFAOYSA-N 329.827 4.946 0 40 EJAB CC[C@H](C)c1ccc(OCC(=O)Nc2cc(Cl)ccc2OC)cc1 505684 VBUIMIZESDBRHN-ZDUSSCGKSA-N 347.842 4.880 0 40 EJAB CC(C)CN1[C@H]2CCC[C@H]1CC(NC(=O)Nc1cccc(Cl)c1)C2 1369481 CDFCWSJLRFSQNX-ROUUACIJSA-N 349.906 4.503 0 40 EJAB CSc1ccccc1C(=O)NC(c1ccccc1)c1ccccc1 1428329 RLKVUEBKCPRUOZ-UHFFFAOYSA-N 333.456 4.928 0 40 EJAB COc1cc(OC)cc(C(=O)Nc2ccc(-c3ccccc3)cc2)c1 1514105 SFWWMCVMAKOXEP-UHFFFAOYSA-N 333.387 4.623 0 40 EJAB COc1ccc(OC)c(NC(=O)Oc2cc(C)c(Cl)c(C)c2)c1 1738508 POLAJSGNOXQLDK-UHFFFAOYSA-N 335.787 4.585 0 40 EJAB O=C(NC1CC1)c1cc(-c2ccc(Cl)s2)nc2ccccc12 2726268 GGGBBHRCTSKPJC-UHFFFAOYSA-N 328.824 4.509 0 40 EJAB O=C(OCc1ccc(Cl)cc1)c1ccccc1NCc1ccco1 3274593 LJBBHDHTQWOYDP-UHFFFAOYSA-N 341.794 4.902 0 40 EJAB CCC[C@H]1OC[C@]2(COC(=O)c3ccccc3)[C@@H](C)[C@H]1C(C)=C[C@H]2C 4025809 NXYZFNXQKYPHHD-HTJFHPCASA-N 342.479 4.877 0 40 EJAB C[C@@H](NC(=O)Cc1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2 4699750 QMUSXEVVGOSOSK-SFAMEIPESA-N 331.887 4.604 0 40 EJAB Cc1cccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccc(F)cc2)c1 4854355 PQENLYCHNJLQTD-FQEVSTJZSA-N 349.409 4.573 0 40 EJAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)C(C#N)=CC[C@H]32)C1 5383299 HCTQIFCJBHHREQ-KINXCBNHSA-N 339.479 4.941 0 40 EJAB biogenic Cc1nc2c(Cl)cc(Cl)cc2c(=O)n1-c1cccc(Cl)c1 5510093 OUNHIAJYIJRVIV-UHFFFAOYSA-N 339.609 4.654 0 40 EJAB CCOc1ccccc1NC(=O)c1csc(-c2ccc(C)cc2)n1 8061016 IMFAPYLUTQGUNO-UHFFFAOYSA-N 338.432 4.770 0 40 EJAB O=C(NCc1cccc(C(F)(F)F)c1)c1cc(F)c(F)cc1Cl 8073234 OXRDKRKZSIVTPV-UHFFFAOYSA-N 349.686 4.567 0 40 EJAB Cc1cc(C)cc(Nc2nnc(-n3nc(C)cc3C)c3ccccc23)c1 8594558 DFUVDMCEAHCAOW-UHFFFAOYSA-N 343.434 4.793 0 40 EJAB O=C1Nc2ccccc2Oc2ccc(NC(=O)C3CCCCC3)cc21 9134784 XXKYOWHFBYBNHS-UHFFFAOYSA-N 336.391 4.563 0 40 EJAB Cc1csc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)n1 10554661 WKYBCVVDOKKQJA-MRXNPFEDSA-N 340.473 4.924 0 40 EJAB CN(Cc1ccccc1F)C(=O)c1sccc1-c1ccccc1 12787094 AIBNEDUOLKOOBZ-UHFFFAOYSA-N 325.408 4.826 0 40 EJAB C[C@@H](NC(=O)Cc1noc2ccccc12)c1ccc(Cl)c(Cl)c1 14185043 GSBCKCZOQRXZMS-SNVBAGLBSA-N 349.217 4.555 0 40 EJAB Cc1ccnc(NC(=S)Nc2ccc(Oc3ccccc3)cc2)c1 15497049 ZTTFJCUDFNBINE-UHFFFAOYSA-N 335.432 4.991 0 40 EJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCCc1cccc(C)c1 20453729 TXXWMHPBBOEPKR-FQEVSTJZSA-N 339.479 4.518 0 40 EJAB O=C(c1cc2c(F)cccc2s1)N1CCC[C@H]1Cc1ccccc1 25518753 ZVFTWDDTKMUKEH-HNNXBMFYSA-N 339.435 4.888 0 40 EJAB CCc1ccc(-c2[nH]ncc2C(=O)NCc2ccc(C(C)C)cc2)cc1 72329154 KJXBFLRWHLWHGH-UHFFFAOYSA-N 347.462 4.693 0 40 EJAB CCCOc1ccc(CNC(=O)c2ccc(C(C)(C)C)cc2)cc1 72331395 GVIPHBRDECXSSE-UHFFFAOYSA-N 325.452 4.703 0 40 EJAB COc1ccc(-c2cc(Cl)nc(-c3cccc(F)c3)n2)cc1OC 78401273 TVONROUEDZQWTN-UHFFFAOYSA-N 344.773 4.620 0 40 EJAB CC1=C[C@H](C)[C@H](CN(CCO)C[C@@H]2[C@@H](C)C=C(C)C[C@H]2C)[C@@H](C)C1 102136018 KUFAUZJRIITNBN-KNPYFFGGSA-N 333.560 4.758 0 40 EJAB Cc1cccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c1 210200573 QBHILRHPKJJSIX-XNTDXEJSSA-N 329.808 4.889 0 40 EJAB Cc1ccc(CN2C(=O)S/C(=C/c3cccc(Cl)c3)C2=O)cc1 211852365 AZYUZUALWSPAMK-MHWRWJLKSA-N 343.835 4.885 0 40 EJAB COC(=O)c1ccc(CN2c3ccc(C)cc3[C@@H](C)CC2(C)C)o1 223231235 HPUMUSLKYDYDAV-AWEZNQCLSA-N 327.424 4.667 0 40 EJAB O=C(COc1cccc2c1CCCC2)Nc1ccc(C(F)(F)F)cc1 223629597 QLYWVKVQFVEWQP-UHFFFAOYSA-N 349.352 4.602 0 40 EJAB S=C(NCC1(c2cccc(Cl)c2)CCCC1)Nc1cccnc1 223987311 WLUYIZRDYWUCJD-UHFFFAOYSA-N 345.899 4.533 0 40 EJAB CCc1ccc(C[C@@H](Oc2ccccc2C(C)(C)C)C(=O)O)cc1 225042745 KZIVOZGFGWHHOR-LJQANCHMSA-N 326.436 4.621 0 40 EJAB CCO[C@]1(C(=O)Nc2ccc(O[C@@H](C)CC)cc2)CCC[C@@H](C)C1 225713098 AONLKXUKUSKWCL-GQIGUUNPSA-N 333.472 4.788 0 40 EJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NC(C)(C)Cc1ccccc1 225854567 YTWYRJNXEXAJIU-FQEVSTJZSA-N 339.479 4.598 0 40 EJAB CC1(C)CC[C@H](NC(=O)CCc2cncs2)[C@H](c2ccccc2)C1 1536452619 XEKMKJZNWPOJIH-ROUUACIJSA-N 342.508 4.554 0 40 EJAB COc1ccc(NC(=O)NCc2cc(-c3ccsc3)cs2)cc1 1775970037 YCZQKCYGSHJRSJ-UHFFFAOYSA-N 344.461 4.807 0 40 EJAB CCOc1ccc(C(=O)Nc2ccc(OC)c(Cl)c2)cc1Cl 262168 XWXRSQJCWKFGBH-UHFFFAOYSA-N 340.206 4.653 0 40 EJAB O=C(CCCc1ccccc1)Nc1ccc(C(=O)c2ccccc2)cc1 365420 RMTKIFIJVYBPMV-UHFFFAOYSA-N 343.426 4.879 0 40 EJAB Cc1cc(OCC(=O)N[C@@H]2CCCc3ccccc32)cc(C)c1Cl 371929 JDNKKYRSKVFNPD-GOSISDBHSA-N 343.854 4.529 0 40 EJAB CC[C@H](C)n1c(-c2ccc(OC)cc2)nc2nc3ccccc3nc21 539651 LUNQDXOKYWVXHS-ZDUSSCGKSA-N 332.407 4.626 0 40 EJAB O=C(Nc1ccc2oc(=O)ccc2c1)c1cccc2c(Cl)cccc12 557365 PBZRCMYEMKUOBQ-UHFFFAOYSA-N 349.773 4.852 0 40 EJAB C[C@H](Nc1ccc(-c2ccccc2)cc1)C(=O)N(C)Cc1ccccc1 3347856 XEJCXFFBYJZIFP-SFHVURJKSA-N 344.458 4.813 0 40 EJAB Cc1c(C(=O)NCCc2ccc(C(F)(F)F)cc2)oc2ccccc12 3435953 MQTURFYFVMOLBA-UHFFFAOYSA-N 347.336 4.733 0 40 EJAB CCOC(=O)c1ccc(CSc2nc3ccccc3s2)cc1 4814905 QMORCBZMSNMMBU-UHFFFAOYSA-N 329.446 4.765 0 40 EJAB COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccc(Cl)cc12 6126406 SJNQYKBMQWRUHN-UHFFFAOYSA-N 332.186 4.995 0 40 EJAB Cc1cc(C(F)(F)F)nc(SCc2nccc3ccccc23)n1 6275818 RSIFTDKQALJRPM-UHFFFAOYSA-N 335.354 4.644 0 40 EJAB O=C(Cc1ccccc1)Nc1nc2c(s1)CSc1ccccc1-2 6495865 SIKHVWISLSODOP-UHFFFAOYSA-N 338.457 4.597 0 40 EJAB CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)N(C)Cc1ccccc1C 6841314 FEQFRLZEPJCXTE-SJLPKXTDSA-N 338.495 4.968 0 40 EJAB COc1cccc(C(=O)N2CCc3sccc3[C@@H]2c2ccccc2)c1 8115149 QCQOGHWFTAPIHR-FQEVSTJZSA-N 349.455 4.545 0 40 EJAB Cc1nc2ccc(F)cc2c(O)c1CN1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 8717125 YOSGGYHRSTYGDH-BTYIYWSLSA-N 342.458 4.789 0 40 EJAB CCCCN(C)C(=O)c1csc(Nc2cccc3ccccc23)n1 9846102 IVVXMLVCXHNUPY-UHFFFAOYSA-N 339.464 4.912 0 40 EJAB Cc1cc(C)c(NC(=O)CCc2ncc(-c3ccccc3)o2)c(C)c1 12619460 FJGDOJIRHXCMIU-UHFFFAOYSA-N 334.419 4.838 0 40 EJAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccccc1Br 13994845 VUBYDBKTAQKJAG-OAHLLOKOSA-N 348.240 4.554 0 40 EJAB CC(C)c1ccc(-c2cc(-c3nc(-c4ccccc4)no3)[nH]n2)cc1 35504131 AFRQXLTZECPLMF-UHFFFAOYSA-N 330.391 4.917 0 40 EJAB Cc1ccc(-c2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)n[nH]2)cc1 44837730 GTGXSOCDFBZTAX-UHFFFAOYSA-N 346.217 4.944 0 40 EJAB C[C@H](c1ccco1)N(C(=O)Cc1ccc(C(F)(F)F)cc1)C1CC1 60017522 AWDQMOSTQGOAQG-GFCCVEGCSA-N 337.341 4.593 0 40 EJAB OC1=Nc2ccsc2[C@H](c2cccc(OC(F)F)c2)SC1 71283129 KUTJLPLGPPMQCT-LBPRGKRZSA-N 327.377 4.774 0 40 EJAB Cc1ccc(C(C)C)c(OCC(=O)N[C@@H](C)c2cc(C)ccc2C)c1 78458782 QNWGPEDXTIYEGK-SFHVURJKSA-N 339.479 4.991 0 40 EJAB Cc1ccccc1CC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 84235606 OSCHRXOUPUDCOD-HSZRJFAPSA-N 341.454 4.712 0 40 EJAB Fc1cccc(C[C@@H]2CCCN2Cc2cc(-c3ccccc3)no2)c1 84560127 MEPJOFXHAJUMIB-IBGZPJMESA-N 336.410 4.688 0 40 EJAB CCCOc1c(Cl)cc(CNc2ccc(OC)cc2)cc1OC 106993903 KHSFHOAINVROCI-UHFFFAOYSA-N 335.831 4.758 0 40 EJAB CCCOc1ccc(C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1 218982282 FBURJCDFTPMYHV-SFHVURJKSA-N 339.435 4.508 0 40 EJAB Cc1ccc(C[C@H](Oc2cccc3ccccc23)C(=O)O)cc1Cl 225080761 BITRLDUYFBUGBK-IBGZPJMESA-N 340.806 4.876 0 40 EJAB CO[C@](C)(CC(C)C)C(=O)Nc1cc(C)c(OCC(C)C)c(C)c1 225609046 UPSOSYYIBGETBB-HXUWFJFHSA-N 335.488 4.728 0 40 EJAB CCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCC2)c(C)n1 225860471 BYRIYKWGJXUOLV-UHFFFAOYSA-N 338.451 4.548 0 40 EJAB O=C(NC1(c2cccs2)CCCC1)c1ccccc1C(F)(F)F 390829086 WNRZDHRTVKJPNG-UHFFFAOYSA-N 339.382 4.966 0 40 EJAB CC(C)C(=O)N1CCCCCCCN(CC2CC2)Cc2ccccc21 643563071 KKGQGRIUQDCJFB-UHFFFAOYSA-N 342.527 4.852 0 40 EJAB O=C(Oc1ccc2cc(Br)ccc2c1)c1ccccc1 364378 KPURJHAWLHYAAY-UHFFFAOYSA-N 327.177 4.822 0 40 EJAB CCCc1cc2c(=O)c(-c3cc4ccccc4o3)coc2cc1OC=O 518120 JQTJWKMBXJUVPL-UHFFFAOYSA-N 348.354 4.694 0 40 EJAB biogenic CC(C)Cn1c(-c2ccccc2Cl)nc2nc3ccccc3nc21 542728 VQABAFHVTDJQCO-UHFFFAOYSA-N 336.826 4.956 0 40 EJAB Cc1nc(CSc2nc(-c3ccccc3)nc3c2CCC3)cs1 543788 SGYPVDUHOFVMBB-UHFFFAOYSA-N 339.489 4.690 0 40 EJAB CCC[C@H](C)NCCOC(=O)[C@H](c1ccccc1)C1CCCCC1 1710573 GQNBHAGYDQXAES-FXAWDEMLSA-N 331.500 4.672 0 40 EJAB O=C(Nc1ccc(F)c(F)c1)c1c2c(nc3ccccc13)CCCC2 2634716 XRNHPGLUMFVAFJ-UHFFFAOYSA-N 338.357 4.644 0 40 EJAB Cc1cc(O[C@H](C)C(=O)N[C@H]2CCCc3ccccc32)ccc1Cl 5186754 SRUYYBRPIFEHMX-KUHUBIRLSA-N 343.854 4.610 0 40 EJAB O=C(c1ccccc1)N(Cc1ccccn1)c1nc2ccccc2s1 5203507 XIXNOPFUHUJCLO-UHFFFAOYSA-N 345.427 4.538 0 40 EJAB CCCCN(CCCC)C[C@@H](O)c1ccc(OC)c2ccccc12 5973437 KLCBSVDLCRYTKX-HXUWFJFHSA-N 329.484 4.784 0 40 EJAB CCCCCCOc1ccc(C(=O)Nc2ccc3[nH]ncc3c2)cc1 6264060 GPFNMWXGNCQYAT-UHFFFAOYSA-N 337.423 4.774 0 40 EJAB Cc1ccc2[nH]c(S[C@H](C)c3nnc(-c4cccs4)o3)nc2c1 6649744 ZPQDWKLSOVYTIN-SNVBAGLBSA-N 342.449 4.836 0 40 EJAB CC[C@H](NC(=S)Nc1ccc(C)c(C)c1)c1ccc(OC)cc1 8085548 NHZIIIYKGGWXCH-SFHVURJKSA-N 328.481 4.750 0 40 EJAB Cc1ccc(O[C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)cc1 8496165 NWEDPMQCUCRKJC-GOSISDBHSA-N 345.442 4.668 0 40 EJAB CC(C)CC[C@]1(CC(=O)Nc2cncs2)CCO[C@@H](C(C)C)C1 8992119 VVVCWIBWABJZOL-QAPCUYQASA-N 338.517 4.729 0 40 EJAB O=C(Nc1ccc(Cl)cc1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 9610034 YGXZRONVEFRMEN-MRXNPFEDSA-N 340.814 4.585 0 40 EJAB CCn1c(NC(=O)Cc2c(Cl)cccc2Cl)nc2ccccc21 12546238 OLEOHQZDVJAWFG-UHFFFAOYSA-N 348.233 4.544 0 40 EJAB C/C(=C/C(=O)Nc1ccccc1C(=O)O)c1ccc2ccccc2c1 13488965 PGFQXGLPJUCTOI-OWBHPGMISA-N 331.371 4.580 0 40 EJAB COc1ccc(COC(=O)Nc2cccc3ccccc23)cc1OC 16227463 HYNFTSABOPHYPR-UHFFFAOYSA-N 337.375 4.606 0 40 EJAB Cc1cc(C)cc(NC(=O)c2cccc(OCc3cscn3)c2)c1 16705969 RNXCPRFXSHCZSI-UHFFFAOYSA-N 338.432 4.591 0 40 EJAB CC(C)(C)C(=O)Cc1nsc(Nc2cccc(Cl)c2Cl)n1 17071793 OUXOISCGQFAKNK-UHFFFAOYSA-N 344.267 4.746 0 40 EJAB Cc1ccc(NC(=S)NCCSCc2ccccc2F)c(C)c1 18146453 BTIKQGDXIZIPDE-UHFFFAOYSA-N 348.512 4.662 0 40 EJAB O=C(Nc1ccc(F)cc1)Nc1ccc(C(=O)c2ccccc2)cc1 18194522 ZVFDWRDGTDFQDX-UHFFFAOYSA-N 334.350 4.701 0 40 EJAB C[C@@H](NC(=O)CCc1ccccc1O)c1ccc(Cl)cc1Cl 23555685 ZIRDYTBQWRYTMP-LLVKDONJSA-N 338.234 4.509 0 40 EJAB O=C(NC1CCCCC1)c1ccc(-c2ccccc2Br)o1 41127337 NXXHWTFRWQOMDZ-UHFFFAOYSA-N 348.240 4.772 0 40 EJAB COc1cccc(C(=O)Nc2ccc3[nH]c4ccccc4c3c2)c1OC 44781941 KSXLVGQPHWBAGQ-UHFFFAOYSA-N 346.386 4.591 0 40 EJAB COc1ccccc1NC(=O)[C@H](C)N[C@H](C)c1ccc2ccccc2c1 57315512 MEECJANBIBTQKO-CVEARBPZSA-N 348.446 4.526 0 40 EJAB O=C(Cc1cccc2ccccc12)N[C@@H](c1ccccc1)C(F)(F)F 59301566 GSMSRUUCALKCGV-IBGZPJMESA-N 343.348 4.802 0 40 EJAB CCOC(=O)Cc1c(-c2ccc(F)cc2)[nH]c2ccc(Cl)cc12 61997424 MLFLVRBLIBMDSR-UHFFFAOYSA-N 331.774 4.733 0 40 EJAB CC(C)c1cnc(-c2ccc(NC(=O)[C@H]3C[C@@H]3c3cccnc3)cc2)o1 71909706 IGBKDDCGSDWKMD-MSOLQXFVSA-N 347.418 4.602 0 40 EJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N(C)Cc1ccccc1 215950136 ZZHXIMSPLONBEV-OAQYLSRUSA-N 333.431 4.656 0 40 EJAB Nc1cccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 226272553 JIUWOZBTIXIJOG-UHFFFAOYSA-N 348.246 4.559 0 40 EJAB COc1ccc(CSCC(=O)Nc2ccccc2C(C)C)cc1 409129739 SICXVWKVGWTXBN-UHFFFAOYSA-N 329.465 4.691 0 40 EJAB CCn1c(C)cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c1C 409139345 AKZNSZGCZBZEBO-GZTJUZNOSA-N 346.496 4.741 0 40 EJAB CCc1cccc(C)c1NC(=O)c1sc2nc(C)cc(C)c2c1N 422677 ZTKMCVAHIOBEBR-UHFFFAOYSA-N 339.464 4.618 0 40 EJAB CC(C)CNC(=O)c1cccc(COc2ccc3ccccc3c2)c1 484234 VNTTXKVVDZEYCH-UHFFFAOYSA-N 333.431 4.805 0 40 EJAB Cc1c(Cl)cccc1NC(=O)CSc1nc2ccccc2o1 501591 STGFADRSLOEDIT-UHFFFAOYSA-N 332.812 4.520 0 40 EJAB CCn1c(CNc2nc3ccccc3n2C(C)C)nc2ccccc21 522486 PEPQZDOFWQLLFV-UHFFFAOYSA-N 333.439 4.599 0 40 EJAB Cc1cc(NC(=O)Nc2cccc(Cl)c2)n(-c2cccc(F)c2)n1 1427029 JDCHTVWRIFNTPK-UHFFFAOYSA-N 344.777 4.617 0 40 EJAB CCCCc1ccc(N2C(=O)c3cccc4c(N)ccc(c34)C2=O)cc1 2028627 RHOHZYLWNIGBTN-UHFFFAOYSA-N 344.414 4.565 0 40 EJAB O=C(/C=C/c1cccs1)OCc1csc(-c2ccccc2)n1 3245301 YGBUCNGBBHKBNH-CMDGGOBGSA-N 327.430 4.628 0 40 EJAB Cc1ccc(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)s1 3323230 RVDGYJRNXYSZRV-UHFFFAOYSA-N 334.872 4.953 0 40 EJAB O=C(CSCc1ccccc1)Nc1nc(-c2ccccc2)cs1 4672882 XGSYGSDDPYBJIQ-UHFFFAOYSA-N 340.473 4.682 0 40 EJAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccc(F)c(F)c1F 6376340 NQQRRKHYESPKNE-UHFFFAOYSA-N 341.332 4.952 0 40 EJAB Cc1ccccc1OCC(=O)N(Cc1ccccc1)Cc1ccccc1 6504774 TUULKKBWCQRGCU-UHFFFAOYSA-N 345.442 4.603 0 40 EJAB Cc1ccc(NC(=O)/C=C/c2cccc(Br)c2)cc1F 6510388 YZGGNNINWWUGFV-SOFGYWHQSA-N 334.188 4.549 0 40 EJAB Cc1[nH]c2ccccc2c1/C=C(\Sc1nc2ccccc2[nH]1)C(=O)O 7342844 JFNYFDHMMFKSBN-YVLHZVERSA-N 349.415 4.570 0 40 EJAB Clc1cc(Cl)cc(-c2ccc(CNCc3ccccn3)o2)c1 7365277 IRFVGQHPCCQFCG-UHFFFAOYSA-N 333.218 4.938 0 40 EJAB Cc1cc2oc(=O)cc(CN(C)[C@H]3CCCc4ccccc43)c2cc1C 8126311 CJIWPGFHMAPSDC-NRFANRHFSA-N 347.458 4.919 0 40 EJAB Cc1c(Cl)c(CSc2nnc3ccccn23)nc2ccccc12 8540837 AYXATLNSBKFXAX-UHFFFAOYSA-N 340.839 4.532 0 40 EJAB Fc1ccc(-c2n[nH]c(-c3ccc(F)cc3)c2Br)cc1 12396983 UFLCKVCWLKHKKI-UHFFFAOYSA-N 335.151 4.784 0 40 EJAB CC[C@@H](C)C(=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1 12764657 BUXWFLQNLNNATD-SNVBAGLBSA-N 342.386 4.737 0 40 EJAB CCOc1ccccc1NC(=O)CO[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 12930709 AECQSHHHODSJDE-GPMSIDNRSA-N 333.472 4.501 0 40 EJAB Cc1ccc(NC(=O)c2ccc(OCc3csc(C)n3)cc2)cc1 12985962 AETFBROZBDBTCC-UHFFFAOYSA-N 338.432 4.591 0 40 EJAB Cc1ccc(CCCNC(=O)CCCOc2ccc(Cl)cc2)cc1 13613469 ARIJDZZYKZFIAQ-UHFFFAOYSA-N 345.870 4.556 0 40 EJAB Cc1ccc(SCCNC(=O)CCSc2ccc(C)cc2)cc1 16310959 JQJNUHHURNQPCA-UHFFFAOYSA-N 345.533 4.694 0 40 EJAB COc1cc2ccccc2cc1C(=O)N[C@H]1CCSc2ccccc21 21898756 LLDZYQBCVOVWJL-SFHVURJKSA-N 349.455 4.815 0 40 EJAB Fc1ccc(-n2cc(C3=CCNCC3)c3cc(Cl)ccc32)cc1 21987005 WLQZFXJVVNNEJU-UHFFFAOYSA-N 326.802 4.800 0 40 EJAB CN(CC(=O)Nc1cccc(Cl)c1Cl)[C@H]1CCc2ccccc21 29483145 GSAJXLASTZAOOU-INIZCTEOSA-N 349.261 4.551 0 40 EJAB Cc1cc(C)n(-c2ccc(CSc3nc4ccccc4[nH]3)cc2)n1 31840437 MGVAZYQYVHFKQJ-UHFFFAOYSA-N 334.448 4.658 0 40 EJAB COCc1ccccc1NC(=O)N1CCC[C@@H]1c1ccccc1Cl 48078660 ULGPTOZHSHBTNA-GOSISDBHSA-N 344.842 4.855 0 40 EJAB Cc1cc([C@@H]2CCCN2Cc2csc(Nc3ccccc3)n2)on1 48251684 DCUYNJLMPBIEQO-INIZCTEOSA-N 340.452 4.520 0 40 EJAB Cc1cc(SCc2ccccc2)ncc1CNC(=O)OC(C)(C)C 72223445 AAFJYLYFWXSUPW-UHFFFAOYSA-N 344.480 4.707 0 40 EJAB CCc1cc2c(cc1[C@@H](O)C[n+]1ccccc1)C(C)(C)CCC2(C)C 72334075 WNPFVRKVRMEJPL-NRFANRHFSA-N 338.515 4.619 0 40 EJAB CC1=Nc2c(c(=O)[nH]n2C2CCCCC2)[C@@H](c2ccc(F)cc2)S1 85411910 QSJDIASRIAVKNQ-MRXNPFEDSA-N 345.443 4.707 0 40 EJAB O=C(/C=C/c1ccccc1)N(CCc1cccs1)Cc1ccoc1 90612298 ULFJESWHBZUEFW-CMDGGOBGSA-N 337.444 4.626 0 40 EJAB CC1(C)[C@H]2[C@H](O)C[C@]3(C)CCC[C@]2(C[C@H]1OC(=O)c1ccccc1)C3 104228662 OXQJARXRUUEAIC-KYRJBTROSA-N 342.479 4.589 0 40 EJAB O=C(CSC1CCCC1)N1CCCC[C@H](c2ccc(F)cc2)C1 207960228 PTPOVCWPWBFEOB-INIZCTEOSA-N 335.488 4.598 0 40 EJAB O=C(COc1cccc(Cl)c1)Nc1ccc(OC2CCCC2)cc1 222769309 URFGYDHFPXSSTD-UHFFFAOYSA-N 345.826 4.679 0 40 EJAB CCc1ccc(CC)c(CNC(=O)[C@@H](C)Sc2ccc(C)cc2)c1 223020847 MDDNCZCGXKVSHR-MRXNPFEDSA-N 341.520 4.917 0 40 EJAB O=S(=O)(Cc1ccccc1)Nc1ccc2c(c1)oc1ccccc12 224165926 RLAXATIDQDSTTM-UHFFFAOYSA-N 337.400 4.528 0 40 EJAB CCN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc(C)cc1 224694604 GRDDFCRTRUEVDH-UHFFFAOYSA-N 344.263 4.517 0 40 EJAB CC1(C)C[C@H](NC(=O)CCc2ccc(Cl)cc2)c2ccccc2O1 225308663 RPBAUWTZPRAXTL-KRWDZBQOSA-N 343.854 4.691 0 40 EJAB O=C(COc1ccccc1)c1ccc(C(F)(F)F)cc1C(F)(F)F 575243070 PAYPHBFLERYTAF-UHFFFAOYSA-N 348.242 4.986 0 40 EJAB O=C(CSCc1ccccc1)NCc1cc(-c2ccoc2)cs1 1775969693 GNURRRBREHJKRF-UHFFFAOYSA-N 343.473 4.558 0 40 EJAB Cc1cc(C)nc(NC(=O)C2c3ccccc3Oc3ccccc32)c1 204714 IHLZMTNVTLXINQ-UHFFFAOYSA-N 330.387 4.575 0 40 EJAB C[C@@H]1C[C@H](c2nc(-c3cccc(Br)c3)cs2)CCO1 497079 YNLILRFUBKENFI-ZYHUDNBSSA-N 338.270 4.855 0 40 EJAB CSc1ccc(CCC(=O)c2cccc(Br)c2)cc1 2516656 SXMFFEJNJLKDGN-UHFFFAOYSA-N 335.266 4.987 0 40 EJAB O=C(NCCc1ccc(Cl)cc1)c1cc(Cl)cc(Cl)c1 2628334 OQLUHEAEOIKXGD-UHFFFAOYSA-N 328.626 4.619 0 40 EJAB Cc1ccc(Cl)c(OC(=O)c2c(-c3ccccc3)noc2C)c1 3556343 MNTKNKTXWVIPPO-UHFFFAOYSA-N 327.767 4.831 0 40 EJAB COc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1OC 3565553 CBMVUOVOIWTJON-UHFFFAOYSA-N 333.387 4.623 0 40 EJAB Cc1cc(OCc2nnc(SCc3ccccc3)o2)ccc1Cl 4161536 TWRMVAZBFJGZEI-UHFFFAOYSA-N 346.839 4.903 0 40 EJAB Cc1nc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2s1 5578266 CVLAZNDODBKDHU-UHFFFAOYSA-N 336.338 4.876 0 40 EJAB CCCCNC(C)(C)COC(=O)/C=C/c1ccc(OCCCC)cc1 5700674 DBWIJBFAIFEGRA-SDNWHVSQSA-N 347.499 4.590 0 40 EJAB O=C(CCC(=O)c1cccs1)OCc1ccc(Cl)cc1Cl 5860019 XBGMPXJSUBBHKH-UHFFFAOYSA-N 343.231 4.761 0 40 EJAB O=C(NCc1ccccc1Cl)c1ccc(C2SCCS2)cc1 6432992 NSDIKRAVWAZBGO-UHFFFAOYSA-N 349.908 4.749 0 40 EJAB CC(C)N(C(=S)NCCSc1ccccc1)c1ccccc1 7368298 FJTYHXRRDOSHBE-UHFFFAOYSA-N 330.522 4.568 0 40 EJAB COCc1cccc(C(=O)Nc2ccccc2Cc2ccccc2)c1 7667487 XYJMBNJIQMOGKZ-UHFFFAOYSA-N 331.415 4.676 0 40 EJAB O=C(CCSCc1ccccc1)Nc1cccc(C(F)(F)F)c1 7685322 ZBPAYSGAMYSPJO-UHFFFAOYSA-N 339.382 4.967 0 40 EJAB O=C(Nc1ccnn1C1CCCC1)c1sccc1-c1ccccc1 7777807 QBUQLBLDUWJELQ-UHFFFAOYSA-N 337.448 4.979 0 40 EJAB CC(C)CC(=O)Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1 8586520 XRVCJCOLUJJCIV-UHFFFAOYSA-N 327.815 4.868 0 40 EJAB Cc1cccc(Nc2ncc3c(n2)C[C@@H](c2cccs2)CC3=O)c1 9935798 NAIRHNPLRHDCJU-CYBMUJFWSA-N 335.432 4.503 0 40 EJAB O=C(Nc1ccc(CN2CCCC2)cc1)c1ccc(C(F)(F)F)cc1 14094314 DKLYDXMPYRTYMN-UHFFFAOYSA-N 348.368 4.554 0 40 EJAB O=C(Nc1ccccc1F)c1cccnc1Nc1ccc(Cl)cc1 22072837 RUBZARYUBXPJSN-UHFFFAOYSA-N 341.773 4.870 0 40 EJAB CCOc1ccc(-c2cc(C(=O)Nc3cccc(C)c3C)no2)cc1 27744828 HEABDTSMLUSGIC-UHFFFAOYSA-N 336.391 4.609 0 40 EJAB CCOP(=O)(OCC)[C@H](/C=C(\Cl)c1ccc(C)cc1)N(C)C 32237487 VPZNSTDXHLKBCO-RTYFKUQISA-N 345.807 4.729 0 40 EJAB O=C(CCC(=O)c1cccs1)N[C@H](c1cccs1)C1CCCC1 32398361 VFWQTNGFMZDJAT-SFHVURJKSA-N 347.505 4.820 0 40 EJAB Cc1c(C(=O)Nc2ccc(SC(F)F)cc2)cnn1C(C)(C)C 32932310 UGUVUQWERZUXRV-UHFFFAOYSA-N 339.411 4.514 0 40 EJAB O=C(N[C@@H]1CCCc2ccccc21)[C@H]1CCC[C@H](C(F)(F)F)C1 40134522 BHVLVJYKEAOAQT-OFQRWUPVSA-N 325.374 4.549 0 40 EJAB CCc1cccc(CC)c1NC(=O)N1CCC[C@@H](C(F)(F)F)C1 40526342 PKLXLZUGHBKGQV-CQSZACIVSA-N 328.378 4.618 0 40 EJAB O=C(Nc1ccc(Oc2ncccn2)cc1)c1cc2ccccc2s1 48202463 RWQODHFTOHJZLL-UHFFFAOYSA-N 347.399 4.736 0 40 EJAB O=C(N[C@@H]1CCc2ccccc21)c1c[nH]cc1-c1ccc(Cl)s1 58426713 DEQWRTMQZOGGFY-OAHLLOKOSA-N 342.851 4.814 0 40 EJAB Cc1ccc(C[C@@H]2CCCN(C(=O)c3cc4ccccc4n3C)C2)cc1 71847840 FRSNBESPMFKAAD-IBGZPJMESA-N 346.474 4.582 0 40 EJAB Cc1cc(C)c(C(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1C 223662243 PKSMTYFLENARAT-UHFFFAOYSA-N 339.479 4.718 0 40 EJAB Fc1ccc(NC(=S)NCCCc2ccccc2Cl)c(F)c1 225540608 NOSASHJLWNDVND-UHFFFAOYSA-N 340.826 4.537 0 40 EJAB CC[C@H](Oc1cccc(C)c1C)C(=O)NC(C)(C)Cc1ccccc1 225874362 JCBKUJYAGJOERI-IBGZPJMESA-N 339.479 4.598 0 40 EJAB CC(C)Oc1cccc(NC(=O)[C@H](C)SCc2ccccc2)c1 408575313 JNSXWRKMMDADBI-HNNXBMFYSA-N 329.465 4.734 0 40 EJAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccccc3Cl)S2)cc1 408784299 QGURZIUKQDIMJF-QMJOVRGKSA-N 344.867 4.502 0 40 EJAB CCCOc1cc(Cl)ccc1-c1ccc(C(=O)O)c(CCC)n1 585265170 HXTIZDXQYOQHFB-UHFFFAOYSA-N 333.815 4.842 0 40 EJAB O=C(NC[C@@H](c1ccsc1)c1ccco1)c1c(F)cccc1Cl 618256257 GYKBBZMQUYKECW-LBPRGKRZSA-N 349.814 4.696 0 40 EJAB CC1(C)CC[C@H](NC(=O)CCc2nccs2)[C@@H](c2ccccc2)C1 1132684063 ZMDILBNJBJAKJE-SJORKVTESA-N 342.508 4.554 0 40 EJAB Clc1cncc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1 2362801831 UKXLDLFJDNDOOW-UHFFFAOYSA-N 344.805 4.921 0 40 EJAB CCOc1ccc2nc(NC(=O)[C@@H](CC)c3ccccc3)sc2c1 364501 ODDUFEJMIDEAMP-HNNXBMFYSA-N 340.448 4.827 0 40 EJAB CCOc1cc(Cl)c(NC(=O)c2ccc(CC)cc2)cc1OCC 387922 LBXUUUAVBRJWMS-UHFFFAOYSA-N 347.842 4.952 0 40 EJAB Oc1ccc(-c2nc3ccc(Cl)cn3c2NCc2ccccc2)cc1 413735 IAISFRYCJAETNJ-UHFFFAOYSA-N 349.821 4.972 0 40 EJAB C[C@@H]1CCc2[nH]c3ccc(C(=O)NCCCc4ccccc4)cc3c2C1 2647043 LQMTWJKTVFVYMM-MRXNPFEDSA-N 346.474 4.655 0 40 EJAB Cc1ccc2c(CC(=O)N(C)Cc3ccccc3Cl)coc2c1 3421827 HQEZBIOAUBJPJI-UHFFFAOYSA-N 327.811 4.596 0 40 EJAB CCOc1ccc(-c2nc(S)c3c(n2)Oc2ccccc2C3)cc1 4316062 SOJOWFNCFVDHKT-UHFFFAOYSA-N 336.416 4.528 0 40 EJAB Cc1cc2nc(NC(=O)c3nc4ccccc4s3)sc2cc1C 4586150 WQIDOQTUEFSOMG-UHFFFAOYSA-N 339.445 4.775 0 40 EJAB O=C(Nc1nnc(/C=C/c2ccc(Cl)cc2)s1)C1CCCCC1 4695028 GSTZECIRUBVVOA-DHZHZOJOSA-N 347.871 4.881 0 40 EJAB CCCCCC(CCCCC)NC[C@H](C)OC(=O)c1ccc(N)cc1 4825049 HKRGKXGAYVHIKD-KRWDZBQOSA-N 348.531 4.933 0 40 EJAB COc1ccc(C)cc1NC(=O)c1ccc(OCc2ccccc2)cc1 7063782 BSJAXTQFYTXGIP-UHFFFAOYSA-N 347.414 4.835 0 40 EJAB CCN(CC)C(=S)SCc1csc(-c2ccc(C)cc2)n1 7735756 DJZMTRZMFKXCOZ-UHFFFAOYSA-N 336.551 4.978 0 40 EJAB COc1cccc(CNC23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)c1OC 8534547 SYWAKJAOXDZPHT-LVBDODCMSA-N 329.484 4.542 0 40 EJAB CCCCCOc1ccccc1C(=O)Nc1cccc(C(C)=O)c1 8723203 SQFHRFSWZGNPQQ-UHFFFAOYSA-N 325.408 4.711 0 40 EJAB Cc1cc(-c2csc(-c3cccnc3)n2)c(C)n1Cc1ccco1 8745506 NMGROVXJKZKCKB-UHFFFAOYSA-N 335.432 4.932 0 40 EJAB O=C(CCC1CCCC1)N1CCC[C@@H]1c1nc2ccccc2s1 9514136 LIQBHLJFFIZLEJ-MRXNPFEDSA-N 328.481 4.930 0 40 EJAB S=C(Nc1ccc(Cl)cc1)Nc1ccc(Br)cc1 13786451 GTKZWLVDIMTQCI-UHFFFAOYSA-N 341.661 4.911 0 40 EJAB COc1ccc(CN[C@H](Cc2ccccc2)c2ccccc2)cc1OC 19841295 WNAJNQBJGGAVNR-OAQYLSRUSA-N 347.458 4.777 0 40 EJAB CC(C)c1ccc(-c2nnc(NC(=O)c3ccccc3Cl)o2)cc1 20495963 MAZYIFSIBPZNDN-UHFFFAOYSA-N 341.798 4.766 0 40 EJAB Cc1ccc(-c2cn3c([n+]2-c2ccccc2)SCC3(C)C)c(C)c1 26506522 SQLSSTQDVQBLQC-UHFFFAOYSA-N 335.496 4.889 0 40 EJAB COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)Nc1ccc(C)cc1C 28744462 RBHCWZMXKZVYGI-CQSZACIVSA-N 346.858 4.713 0 40 EJAB CCOc1ccc(CN(C)C(=O)c2cc3c(F)cccc3s2)cc1 36147326 WECKHDIKNRROII-UHFFFAOYSA-N 343.423 4.711 0 40 EJAB Cc1nccn1Cc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1 38834154 QCWCHOXXXDINEY-UHFFFAOYSA-N 341.414 4.645 0 40 EJAB CN(CC1CC1)C(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 40151989 ZSAXUBKIOJRMJK-UHFFFAOYSA-N 333.353 4.854 0 40 EJAB Cc1ccc(-c2nn3c(N4CCCCCC4)cc(C)nc3c2C)cc1 40216883 UYGXQSRFFXBCMO-UHFFFAOYSA-N 334.467 4.702 0 40 EJAB C[C@H](c1ccccc1)n1c([C@@H](O)c2ccccc2)nc2ccccc21 40224194 SKVSGFPMANFINY-IERDGZPVSA-N 328.415 4.727 0 40 EJAB CCSc1ccccc1NC(=O)[C@H](C)Oc1cccc(Cl)c1 44900566 GBXGXANTUORKGZ-LBPRGKRZSA-N 335.856 4.858 0 40 EJAB C[C@H](c1cccs1)N(C)C(=O)c1cc(-c2ccccc2Cl)on1 47455088 YGACNNRSYWMQJU-LLVKDONJSA-N 346.839 4.890 0 40 EJAB CNc1nc2c(s1)[C@H](c1ccc(Cl)c(Cl)c1)CC(O)=N2 61717775 RQAWEYBDUFKBJQ-ZETCQYMHSA-N 328.224 4.615 0 40 EJAB CCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2C(C)C)cn1 72214677 KEQPNMBJMUFZDF-KRWDZBQOSA-N 347.503 4.778 0 40 EJAB COc1cc(CO)c(Cl)cc1OCc1ccc(Cl)cc1Cl 95095037 WDTWYANKKRBWKO-UHFFFAOYSA-N 347.625 4.727 0 40 EJAB CCC(CC)C(=O)N1N=C(c2ccccc2)C[C@@H]1c1cccs1 95116639 DQILARGKWMDLID-QGZVFWFLSA-N 326.465 4.862 0 40 EJAB O=[S@@](Cc1cccc(NCc2cccc(O)c2)c1)C1CCCCC1 95429127 PKYUYBGFXQHFSK-XMMPIXPASA-N 343.492 4.586 0 40 EJAB CC[C@H](NC(=O)CSCc1ccccc1F)c1ccc(C)cc1C 222712333 XYBGDVMRQIKGOL-IBGZPJMESA-N 345.483 4.943 0 40 EJAB C[C@H](Oc1cccc2c1CCCC2)C(=O)Nc1cccc(Cl)c1 223097096 CQMRJSWUJRWPMB-ZDUSSCGKSA-N 329.827 4.625 0 40 EJAB CCc1ccc([C@@H](C)NC(=O)[C@H](CC)Oc2cc(C)ccc2C)cc1 224796999 GMWLLEHIAUAJLX-XLIONFOSSA-N 339.479 4.901 0 40 EJAB Cc1ccc(C)c(C[C@H](Oc2ccc(C(C)(C)C)cc2)C(=O)O)c1 225028274 RNHYBEMOCSKMOC-IBGZPJMESA-N 326.436 4.676 0 40 EJAB O=C(O)[C@@H](Cc1ccc(Cl)cc1)Sc1ccc(Cl)cc1 225062028 NTKVBUORQIBWHU-CQSZACIVSA-N 327.232 4.781 0 40 EJAB CCCCO[C@@H](Cc1ccccc1Sc1ccccc1)C(=O)O 225132658 NWDYKRNYDCGFMV-KRWDZBQOSA-N 330.449 4.650 0 40 EJAB Cc1cc(C)c(C[C@H](Oc2ccccc2C(C)C)C(=O)O)c(C)c1 225136618 XNPGUPAUJRAYTA-FQEVSTJZSA-N 326.436 4.810 0 40 EJAB Cc1cc(NC(=O)c2ccc(C(C)C)cc2)cc2sc(N)nc12 226309343 NMXMBUMXYBDSGB-UHFFFAOYSA-N 325.437 4.563 0 40 EJAB C=Cc1c(N)c(-c2nc(-c3ccc(OC)cc3)cs2)c2ccccn12 257173254 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O[C@@H](CCN1CC[C@@H]2CC[C@@H](C2)C1)c1ccc(-c2ccccc2)cc1 1615838 HYPJFDGAMUYUKL-YDHSSHFGSA-N 335.491 4.899 0 40 EJAB COc1ccc(-c2csc(NC(=O)c3cccc(F)c3)n2)cc1C 4072677 VWMFZTMQNBEFIL-UHFFFAOYSA-N 342.395 4.519 0 40 EJAB COc1cccc(NC(=O)c2sc3ccccc3c2Cl)c1OC 4181323 XWNBXSZSPBDLGW-UHFFFAOYSA-N 347.823 4.824 0 40 EJAB CC(C)(C)c1[nH]ncc1CCC(=O)Nc1ccc(Cl)cc1Cl 5545602 XZVJPRZUJZQVGR-UHFFFAOYSA-N 340.254 4.585 0 40 EJAB FC(F)Oc1ccc(Nc2ncnc3c2oc2ccccc23)cc1 5699893 CAUODEPGPFCJRV-UHFFFAOYSA-N 327.290 4.721 0 40 EJAB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1cccnc1Cl 6330469 FILOJGUABGWAMV-GQCTYLIASA-N 327.598 4.694 0 40 EJAB CCNCc1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 8227236 URSWZDDZXMYDDV-UHFFFAOYSA-N 340.250 4.691 0 40 EJAB O=C(COc1ccc2ccccc2c1)N[C@H]1CCSc2ccccc21 8402120 ZXQWFDUEBHWQTI-IBGZPJMESA-N 349.455 4.572 0 40 EJAB O=C(CCc1ccsc1)N1CCC[C@@H]1c1nc2ccccc2s1 9217406 HVRNZNXIGOMTQZ-OAHLLOKOSA-N 342.489 4.654 0 40 EJAB Cc1ccc([C@H]2CC(=O)Nc3[nH]nc(-c4ccc(Cl)cc4)c32)cc1 9546539 BJQHEJLZZGIXNJ-OAHLLOKOSA-N 337.810 4.513 0 40 EJAB CC(C)Oc1ccc(NC(=O)Nc2ccc(OC(C)C)cc2)cc1 10277974 CGAZUYIRULJXHE-UHFFFAOYSA-N 328.412 4.905 0 40 EJAB COc1ccc(-c2c/c(=N\c3ccccc3N)c3ccccc3o2)cc1 12661624 DHZNERRNMJNDLT-HIXSDJFHSA-N 342.398 4.923 0 40 EJAB biogenic c1coc(CNc2ncc(-c3cccs3)c(-c3nccs3)n2)c1 13266392 XCCDYUUOSGONGS-UHFFFAOYSA-N 340.433 4.534 0 40 EJAB CCc1ccc(NC(=O)CCc2ncc(-c3ccc(F)cc3)o2)cc1 14266972 JPTGMKVIPZIEDL-UHFFFAOYSA-N 338.382 4.614 0 40 EJAB Cc1nc(-c2cccs2)c(CC(=O)Nc2cccc(F)c2)s1 15840219 FKLLFMMBXWJNDO-UHFFFAOYSA-N 332.425 4.500 0 40 EJAB c1csc(-c2nnc([C@H]3CCCN(CC4CCCCC4)C3)o2)c1 19344823 DPGSXLXMBULXNK-HNNXBMFYSA-N 331.485 4.558 0 40 EJAB CC[C@H](C)c1ccccc1OCCNc1cccc(OCCOC)c1 19737569 QVHQDCBILKMBNK-KRWDZBQOSA-N 343.467 4.716 0 40 EJAB CCc1ccc(C(=O)c2cc3cc(Br)ccc3o2)cc1 20298879 SVCPATLSFMATLO-UHFFFAOYSA-N 329.193 4.989 0 40 EJAB Cc1cccc(C(=O)Nc2nc3c(s2)C[C@@H](C(C)(C)C)CC3)c1 20897376 HHOPVECQRATADL-AWEZNQCLSA-N 328.481 4.855 0 40 EJAB Cc1cc(C(=O)NCC(C)(c2ccccc2)c2ccccc2)c(C)o1 21669775 XEQTYJSBHBCRKX-UHFFFAOYSA-N 333.431 4.632 0 40 EJAB O=C(C[C@@H]1C=CCC1)N[C@H](c1ccccc1)c1cc2ccccc2o1 24709380 FAIYFVMRIUTUHO-OPAMFIHVSA-N 331.415 4.995 0 40 EJAB CN1[C@@H](c2ccccc2)C[C@H](O)[C@H](c2ccccc2)[C@@H]1c1ccccc1 33901434 ZIIZMWKPNMCHTR-SBFWRKJZSA-N 343.470 4.949 0 40 EJAB COc1cccc(NC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)c1 35476472 QEGFSBCTMRIRPQ-KRWDZBQOSA-N 330.815 4.718 0 40 EJAB O=C(Nc1cc(Cl)cc(Cl)c1)N1CCC[C@H](C(F)(F)F)C1 40096710 AAEIURHGKRUGNE-QMMMGPOBSA-N 341.160 4.800 0 40 EJAB CCOc1ccc2nc(Nc3nc4cc(C)ccc4o3)sc2c1 57353017 WZFRTINYDXDNID-UHFFFAOYSA-N 325.393 4.888 0 40 EJAB Cc1ccc(C2=NN[C@](C)(c3ccc(Br)cc3)S2)cc1 59431960 DUVZGJJPGJKGRG-INIZCTEOSA-N 347.281 4.628 0 40 EJAB CCN(CC)c1ccc(NC(=S)Nc2cc(F)cc(F)c2)c(C)c1 71760983 AGUJHESNVIVDNS-UHFFFAOYSA-N 349.450 4.928 0 40 EJAB CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(F)cc(F)c1 71844338 XKTUJWNLQILUCO-RTBURBONSA-N 329.390 4.763 0 40 EJAB CC[C@H](C)Nc1ncccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C 72213442 NSTFDXBOZMPHJD-HOCLYGCPSA-N 333.476 4.754 0 40 EJAB CCCCN1CCCC[C@@H]1c1cccnc1NC(=O)OC(C)(C)C 72214402 GGFXOXNCRGPDJF-MRXNPFEDSA-N 333.476 4.756 0 40 EJAB Cc1nc(N2CCCc3ccccc32)ccc1[C@H](O)c1ccccc1 72224962 WNDCNJAFWQIUCE-JOCHJYFZSA-N 330.431 4.556 0 40 EJAB CCCC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)c(C(C)C)o1 72292982 TZVDQJIPRFVNPK-MRXNPFEDSA-N 326.440 4.929 0 40 EJAB Cc1ncsc1C(=O)Nc1ccc(N(C)C2CCCCC2)c(F)c1 84065649 OPKAFDJLXKVBCK-UHFFFAOYSA-N 347.459 4.612 0 40 EJAB CC[C@H](c1ccc(F)cc1)[S@](=O)Cc1coc(-c2cccs2)n1 95960698 GZPHALFMLJHRQL-MWTRTKDXSA-N 349.452 4.942 0 40 EJAB COc1ccc([C@@H](NCc2cc(C)on2)c2ccccc2Cl)cc1 96417401 YVYZWVVSRXFALF-LJQANCHMSA-N 342.826 4.524 0 40 EJAB COc1ccc2ccccc2c1CNc1ccc(-c2ccccn2)cn1 97162787 MSSWSEIQJPGSBZ-UHFFFAOYSA-N 341.414 4.918 0 40 EJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@H](CC)c1ccccc1 113951470 HHQCQGGDNYKAQW-MOPGFXCFSA-N 325.452 4.728 0 40 EJAB C[C@@H](NC(=O)COc1ccccc1Cl)c1ccc(C(C)(C)C)cc1 218847226 BOMBKJBMYZDXBT-CQSZACIVSA-N 345.870 4.894 0 40 EJAB Cc1ccccc1OC[C@H](C)NC(=O)c1ccccc1SC(C)C 219656428 RLKLFXDOOWYXOF-INIZCTEOSA-N 343.492 4.693 0 40 EJAB COc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1COC(C)C 224425038 DSSCNAXRZDAREV-UHFFFAOYSA-N 347.842 4.834 0 40 EJAB C[C@@H](CC(C)(C)c1ccccc1)NC(=O)Cc1ccc(Cl)cc1F 224531730 INOINCKQBZRDKT-AWEZNQCLSA-N 347.861 4.894 0 40 EJAB COc1ccc(C)cc1NC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C 224817462 OXWLCZJHBWVEOS-MRXNPFEDSA-N 341.451 4.841 0 40 EJAB CC(C)Oc1cccc(NC(=S)N[C@@H](C)c2ccc(F)cc2)c1 225474082 IERJMVSCJXFNQU-ZDUSSCGKSA-N 332.444 4.661 0 40 EJAB Cc1ccc2cc(C(=O)CCC(=O)Nc3ccc(F)cc3)ccc2c1 408826210 IWKWOQQSYRMQTJ-UHFFFAOYSA-N 335.378 4.889 0 40 EJAB Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)NCc1ccccc1 114439 WBZLRHFBZZNZTE-UHFFFAOYSA-N 325.795 4.838 0 40 EJAB COc1ccc(-c2nc(-c3cc4ccccc4oc3=O)cs2)cc1 174962 APJJFRKDEMKDHS-UHFFFAOYSA-N 335.384 4.592 0 40 EJAB CCCn1c([C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)nc2ccccc21 252082 DIHVZDDQAIRLDC-QGZVFWFLSA-N 347.462 4.584 0 40 EJAB COc1ccc2c(Cl)c(C(=O)NCCc3ccccc3)sc2c1 359056 CHXZKMWDNQDHAJ-UHFFFAOYSA-N 345.851 4.536 0 40 EJAB CCOc1ccc(N[C@@H](c2ccccc2)P(=O)(OC)OC)cc1 2300526 WDOZYHBHNBHCQY-QGZVFWFLSA-N 335.340 4.682 0 40 EJAB O=C(NCCSC12CC3CC(CC(C3)C1)C2)Nc1ccccc1 4783813 FLFSGZYVDHHZNH-UHFFFAOYSA-N 330.497 4.510 0 40 EJAB COc1ccc(NC(=O)c2oc3c(Cl)cccc3c2C)c(OC)c1 6561744 VEUXOXVAHPNHRZ-UHFFFAOYSA-N 345.782 4.664 0 40 EJAB COc1ccc(Cl)cc1C(=O)Nc1ccc2nc(C)sc2c1 6790563 QQPDNODMUFKIJE-UHFFFAOYSA-N 332.812 4.519 0 40 EJAB COc1ccc(NC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)c(OC)c1 6946824 WZECDUCNRLQLAP-GOSISDBHSA-N 347.842 4.736 0 40 EJAB O=C(/C=C/c1ccco1)N1CCc2sccc2[C@H]1c1ccccc1 8115130 JTEQOSAIISXHGU-NDDJGDGRSA-N 335.428 4.529 0 40 EJAB CCOc1cc(/C=C/c2nc3ccc(OC)cc3s2)ccc1O 8322218 YAHVAFBJWMCGSC-WEVVVXLNSA-N 327.405 4.580 0 40 EJAB Cc1ccc(CN(C)C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)cc1 9758084 OMVIBPNNDMJAND-IBGZPJMESA-N 342.870 4.941 0 40 EJAB CCC[C@H](O)c1nc2ccccc2n1CCOc1ccc(Cl)cc1 11692487 DYWUHNDQYUOFJV-SFHVURJKSA-N 344.842 4.602 0 40 EJAB CCCOc1ccccc1NC(=O)c1csc(-c2cccs2)n1 12903060 XUESLCUDVBZMAX-UHFFFAOYSA-N 344.461 4.913 0 40 EJAB CCOc1cccc(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c1 13632215 SSFZEIANAYIIPH-GFCCVEGCSA-N 335.856 4.858 0 40 EJAB C[C@H](Sc1ccc(F)cc1F)C(=O)Nc1cccc2ncccc12 26883447 AEDBUKBHEQAYBT-NSHDSACASA-N 344.386 4.632 0 40 EJAB Cc1cc(C(=O)Nc2nc(-c3cccc(F)c3)cs2)c(C)s1 29354761 NXCWDJYODNYYHP-UHFFFAOYSA-N 332.425 4.880 0 40 EJAB CN(Cc1ccc(Cl)s1)C(=O)Cc1ccc2ccccc2c1 32502682 RSVYLZOHCDMAPV-UHFFFAOYSA-N 329.852 4.756 0 40 EJAB CCOc1ccc(Oc2nc(-c3ccncc3)nc3ccccc23)cc1 40040256 INUUZDORIJXKKC-UHFFFAOYSA-N 343.386 4.883 0 40 EJAB CCCCCOc1ccc([C@H](C)NC(=O)c2ccoc2C)cc1OC 40121750 VERQVVZFVRJGOQ-AWEZNQCLSA-N 345.439 4.657 0 40 EJAB O=C(c1ccc(F)cc1Cl)N(Cc1ccsc1)Cc1ccco1 42382018 OFPZCGPNXDCLIQ-UHFFFAOYSA-N 349.814 4.976 0 40 EJAB Cc1c(N)cc(-c2nc3cccc(Cc4ccccc4)c3o2)cc1N 57352791 DFGKIKMMAIBYFU-UHFFFAOYSA-N 329.403 4.558 0 40 EJAB C[C@@H](c1ccccc1Cl)N1CCC(NC(=O)C2CCCCC2)CC1 65962833 SLMYRXSNHOFMKZ-HNNXBMFYSA-N 348.918 4.562 0 40 EJAB CC(C)(C)c1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1 72331402 JLVWHHNZXIBTLU-UHFFFAOYSA-N 335.369 4.933 0 40 EJAB CCC[C@@H](CNC(=O)c1cc(-c2ccccc2)on1)c1ccccc1 72427522 VHPBTQMQLQHJRN-SFHVURJKSA-N 334.419 4.655 0 40 EJAB CCSc1ccccc1C(=O)N1CCC(c2ccsc2)CC1 75157131 PDEXKGALFLMRFN-UHFFFAOYSA-N 331.506 4.880 0 40 EJAB CCC[C@@H](C)C(=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12 84740081 YSKNAWICIPWTSH-KILAXVPQSA-N 333.475 4.836 0 40 EJAB O=c1oc2ccccc2cc1-c1ncc(C(F)(F)F)cc1Cl 91302290 XVKSYHFPPOMGTE-UHFFFAOYSA-N 325.673 4.527 0 40 EJAB C[C@H](NC(=O)Nc1ccc(-c2ncco2)cc1)c1c(F)cccc1F 95452784 YECIJRCJIYGNGX-NSHDSACASA-N 343.333 4.503 0 40 EJAB CCn1nc(C)c(CN[C@H](c2ccccc2)C2CCCCC2)c1C 95462802 BWSAAMQILRHRTR-OAQYLSRUSA-N 325.500 4.931 0 40 EJAB O=c1[nH]c2c(s1)[C@H](c1ccccc1Cl)[C@H]1[C@@H]3CC[C@H](C3)[C@H]1S2 100872164 JSSBVGZWZPTGCP-KVTHKLIGSA-N 349.908 4.742 0 40 EJAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N[C@@H]1CCCc2ccccc21 113970348 MGQLYOIRUIFVRQ-RTWAWAEBSA-N 337.463 4.655 0 40 EJAB CCOC(=O)c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1 143611289 DSODHOBVKFAGHD-UHFFFAOYSA-N 343.181 4.888 0 40 EJAB CCc1ccc(OCC(=O)Nc2ccc3c4c(cccc24)CC3)cc1 166127843 NGWLPIQKXVLOEB-UHFFFAOYSA-N 331.415 4.518 0 40 EJAB C[S@@](=O)Cc1cc(NCc2cc3ccccc3o2)ccc1Cl 195559023 YIYZLZCFYVFYRL-JOCHJYFZSA-N 333.840 4.577 0 40 EJAB CCc1ccc(CC)c(CNC(=O)[C@H](C)Oc2cc(C)cc(C)c2)c1 223182873 GAKCWNJXMJZTMD-KRWDZBQOSA-N 339.479 4.512 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2cccc3c2CCCC3)cc1 223652573 ORXNEVYWBCJTTK-SJORKVTESA-N 337.463 4.519 0 40 EJAB CCCCOCc1cc(C(=O)Nc2ccccc2F)ccc1OCC 224725998 RCHRESPNTGPWPW-UHFFFAOYSA-N 345.414 4.793 0 40 EJAB CCC[C@H](C)NC(=O)c1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 225268676 PIPIBSDTIVTCFX-LBPRGKRZSA-N 341.842 4.802 0 40 EJAB Cc1cccc(NC(=S)NCCCSCc2ccccc2)c1 225595644 ORXUYSGMFSCOKA-UHFFFAOYSA-N 330.522 4.605 0 40 EJAB COc1ccc(NC(=O)C(C)(C)Cc2ccc(C)cc2)cc1Cl 225943001 HAILJHMDGLIQRI-UHFFFAOYSA-N 331.843 4.864 0 40 EJAB CC(C)(C)c1ccc(NC(=O)c2csc(-c3ccco3)n2)cc1 1521865788 HRUKTUKGKSIAEW-UHFFFAOYSA-N 326.421 4.953 0 40 EJAB Cc1cccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 191593 SPISBZXJRYZOKO-UHFFFAOYSA-N 343.732 4.685 0 40 EJAB CCOc1ccc(-c2nc3cc(NC(=O)c4ccco4)ccc3o2)cc1 235117 IBGSQJODTSJMQI-UHFFFAOYSA-N 348.358 4.739 0 40 EJAB Cc1ccccc1NC(=O)CCCOc1cccc(Br)c1 2624474 DNTXOIBTZHWCJV-UHFFFAOYSA-N 348.240 4.555 0 40 EJAB O=C(CSc1ccc2ccccc2c1)Nc1ccc(Cl)cn1 3382347 MMYRSZISVFQIGW-UHFFFAOYSA-N 328.824 4.619 0 40 EJAB O=C(Nc1ccc(F)c(F)c1)c1ncc(Cl)c(Cl)c1Cl 3455695 LGLLYHXMWIJPOH-UHFFFAOYSA-N 337.540 4.572 0 40 EJAB CCCn1c([C@@H]2CC(=O)N(c3ccccc3CC)C2)nc2ccccc21 4384977 HAXGYJMPVSYHMJ-QGZVFWFLSA-N 347.462 4.529 0 40 EJAB O=C(Nc1nnc(/C=C/c2ccccc2)s1)c1ccccc1Cl 4523739 GBQHQBKYYAZITP-ZHACJKMWSA-N 341.823 4.614 0 40 EJAB CCC(=O)N1c2ccc(Cl)cc2[C@@H]2OCC[C@@H]2[C@@H]1c1ccco1 4555186 DKDKVIPKAZQOEX-NXOUGTEYSA-N 331.799 4.509 0 40 EJAB Cc1occc1-c1nnc2sc(/C=C/c3ccccc3Cl)nn12 5032096 XUWWWLUMWBXIBY-VOTSOKGWSA-N 342.811 4.578 0 40 EJAB CCC(=O)NC(=S)N(c1ccccc1)c1ccc2ccccc2c1 5977760 YKWFWBHKZQLRNV-UHFFFAOYSA-N 334.444 4.789 0 40 EJAB CCC(C)(C)c1ccc2c(C(=O)N[C@H](C)[C@@H]3CCCO3)csc2c1 6850625 AOLXFPVSSXENRY-DYVFJYSZSA-N 345.508 4.886 0 40 EJAB COc1ccc(NC(=O)c2ccccc2OCc2ccccc2)cc1 7652391 QWDCGKJVYPNAKR-UHFFFAOYSA-N 333.387 4.527 0 40 EJAB CC(C)Oc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1 8569200 AWLJCZJZCDMLOH-ZDUSSCGKSA-N 333.815 4.533 0 40 EJAB CCc1cccc(C)c1NC(=O)[C@@H](CC)Oc1cc(C)cc(C)c1 11637276 DGAQZNQUWQKVTO-LJQANCHMSA-N 325.452 4.970 0 40 EJAB O=C(O)c1sc(-c2ccccc2)cc1NC(=O)C1CCCCC1 12600643 BHGKQDVGBOCKJL-UHFFFAOYSA-N 329.421 4.632 0 40 EJAB O=C(O)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1 13166541 KMTGXAYMLVKTOE-UHFFFAOYSA-N 331.780 4.505 0 40 EJAB CCCCOc1ccccc1C(=O)Nc1ccc(Br)cc1 14031978 YJXXGJPPACFSBP-UHFFFAOYSA-N 348.240 4.880 0 40 EJAB COc1ccc2c(CC(=O)N[C@@H](C)c3cc4ccccc4o3)coc2c1 14071449 KVUQZEOSTDKVSW-ZDUSSCGKSA-N 349.386 4.608 0 40 EJAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1-c1ccccc1 14396189 BSTIMNIZWLQXFB-OAHLLOKOSA-N 335.378 4.899 0 40 EJAB COc1cccc(CN[C@@H](Cc2ccsc2)c2ncccc2C)c1 19237645 PSTDWLGTFFAUSK-IBGZPJMESA-N 338.476 4.534 0 40 EJAB Cc1nc(Nc2ccc(F)cc2)sc1C(=O)Nc1ccccc1F 22245779 ODORJUSUYGJSBN-UHFFFAOYSA-N 345.374 4.726 0 40 EJAB CCCCCCOc1ccc(C(=O)c2cccc(OC(C)=O)c2)cc1 43209878 LJIPGUPMMXWVFC-UHFFFAOYSA-N 340.419 4.802 0 40 EJAB Nc1nc(-c2ccc(F)cc2)cc(-c2ccc(Cl)c(Cl)c2)n1 71977916 BUJMRWFMYFBUOM-UHFFFAOYSA-N 334.181 4.839 0 40 EJAB CC[C@@H](NC(=O)CSCc1ccc(F)cc1)c1ccc(C)cc1C 219262968 ZCKOOIMQVNJNLT-LJQANCHMSA-N 345.483 4.943 0 40 EJAB CCCOc1ccc(C(=O)NCc2cc(CC)ccc2CC)cc1 223427855 GVTLPKAAFDIUKU-UHFFFAOYSA-N 325.452 4.530 0 40 EJAB CCCOCc1cc(C(=O)N[C@@H](C)c2ccccc2)ccc1OCC 224703475 NIRXHURRPNQLJF-INIZCTEOSA-N 341.451 4.503 0 40 EJAB CCOc1ccccc1CCCNC(=S)Nc1ccc(C)cc1C 225394692 BFTARMIIXIIHMI-UHFFFAOYSA-N 342.508 4.621 0 40 EJAB Cc1ccc(NC(=S)N[C@@H](C)COc2ccccc2C)cc1Cl 225635155 WTBAASOAHAJRRM-AWEZNQCLSA-N 348.899 4.711 0 40 EJAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OC)c2ncccc12 225898068 RKBNCYAEASTATR-FQEVSTJZSA-N 344.455 4.557 0 40 EJAB CC(C)(C)C(=O)c1ccsc1NC(=O)c1ccc(C(F)F)nc1 585090669 MJJGHPNUGLWREK-UHFFFAOYSA-N 338.379 4.562 0 40 EJAB O=C(Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)c1ccccc1 45143 UYQWSXYHSUHDDR-UHFFFAOYSA-N 342.350 4.679 0 40 EJAB biogenic O=C(Nc1ccc(Br)cc1)C1(c2ccccc2)CCCC1 281807 FXLDLRVBSCQMNA-UHFFFAOYSA-N 344.252 4.900 0 40 EJAB COc1ccc(C(=O)Nc2nc3c(ccc4ccccc43)s2)cc1 567783 LGFROTWCOXJACX-UHFFFAOYSA-N 334.400 4.710 0 40 EJAB CCN(CC)[C@@H]1CCC[C@H](Nc2ccnc3cc(Cl)ccc23)C1 1733781 ZODDUWYUOSRZLF-JKSUJKDBSA-N 331.891 4.953 0 40 EJAB CCN(CC)CCCCCCCNc1cc(OC)cc2cccnc12 1873677 BYIXMMAYHQFRPE-UHFFFAOYSA-N 343.515 4.948 0 40 EJAB O=C(Nc1ccccc1NC(=O)C1CCCCC1)C1CCCCC1 3014239 OQMMTHKWFHVAJQ-UHFFFAOYSA-N 328.456 4.724 0 40 EJAB COc1ccc2c(C)cc(SCC(=O)c3ccc(F)cc3)nc2c1 4188759 FDKJTXLPKLVNIK-UHFFFAOYSA-N 341.407 4.666 0 40 EJAB CC(=O)C(=Cc1ccccc1)C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C 4266895 FDAUAWCWYPKAFJ-MOXGXCLJSA-N 328.452 4.663 0 40 EJAB biogenic O=C(CSc1nnc(-c2ccccc2)c2ccccc12)c1ccc[nH]1 5339950 NOWWYRJLLIIGSB-UHFFFAOYSA-N 345.427 4.600 0 40 EJAB O=C(Nc1cccnc1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 5689514 JAVWVXSSDHJCOQ-UHFFFAOYSA-N 332.281 4.613 0 40 EJAB CCOc1ccc([C@H](CC)c2cc3c(cc2OCC)OCO3)cc1 6002089 YHWKXFZGLAMVAL-INIZCTEOSA-N 328.408 4.755 0 40 EJAB C[C@@H](Oc1cc(Cl)c(Cl)cc1Cl)C(=O)OCc1ccco1 6442767 WWAOSFZMZJZFHJ-MRVPVSSYSA-N 349.597 4.751 0 40 EJAB CCc1ccc(CCC(=O)N2CCC(Cc3ccccc3)CC2)cc1 10323924 QEAMCFCBTYLALK-UHFFFAOYSA-N 335.491 4.663 0 40 EJAB CCOc1ccccc1NC(=O)c1ccc2c(c1)C(=O)c1ccccc1-2 11658179 AFHBIXFIGAVJIR-UHFFFAOYSA-N 343.382 4.549 0 40 EJAB O=C(COc1ccc(F)cc1F)Nc1ccccc1-c1ccccc1 13330762 HJXPJAOSYNFBOZ-UHFFFAOYSA-N 339.341 4.649 0 40 EJAB O=C(N[C@H](Cc1ccccc1)c1ccccc1)c1c[nH]c2ccccc12 14170600 PMFCZZLBLPKGHU-JOCHJYFZSA-N 340.426 4.882 0 40 EJAB C[C@@H](NCc1ccc(-c2ccc(Cl)cc2)o1)[C@H](O)c1ccccc1 22076543 OGFNMONHJWTTDB-VLIAUNLRSA-N 341.838 4.812 0 40 EJAB COc1ccc(C(=O)N(Cc2cccs2)c2ccc(C)cc2)cc1 27581931 DPSVMPIWVCNRDK-UHFFFAOYSA-N 337.444 4.912 0 40 EJAB C[C@H]1C[C@@H](NC(=O)Nc2ccc(Br)cc2)CC(C)(C)C1 30835597 FVTFSUCPTFOUPE-SMDDNHRTSA-N 339.277 4.785 0 40 EJAB CCCCc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1 32649366 GMRGMONPOGOOMG-UHFFFAOYSA-N 337.463 4.716 0 40 EJAB Cc1cccc(CSc2nccn3nc(-c4ccccc4)cc23)c1 45925242 OTAKBNUCENTETE-UHFFFAOYSA-N 331.444 4.997 0 40 EJAB Cc1cc(C)cc(NC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)c1 57412459 OORMRVRKNMXBDE-UHFFFAOYSA-N 325.799 4.599 0 40 EJAB CN(Cc1ccc(-c2ccccc2)cc1)Cc1nc(-c2ccco2)no1 58392491 LDEROIIFLFEQPO-UHFFFAOYSA-N 345.402 4.629 0 40 EJAB COc1ccc([C@@H](NC(=O)c2sccc2C)c2ccccc2)cc1 69708788 MZHVMRABOZOTAK-SFHVURJKSA-N 337.444 4.585 0 40 EJAB Cc1nc(NC2CCCCC2)sc1C(=O)N[C@@H](C)c1ccccc1 71326703 XRLYRXFGDMGZAY-ZDUSSCGKSA-N 343.496 4.687 0 40 EJAB Clc1cccc(-c2nccnc2[C@H]2CCCN(C3CCCC3)C2)c1 72358325 ULEHLQNJCWGEKD-INIZCTEOSA-N 341.886 4.919 0 40 EJAB COc1ccc(-c2nc(Cl)cc(-c3ccc(C)cc3)n2)cc1OC 78401314 TXUGUMLLJFLPBP-UHFFFAOYSA-N 340.810 4.790 0 40 EJAB O=C(C[C@H]1C[C@@H]2CC[C@@H]1C2)Nc1nnc(-c2ccccc2Cl)s1 100633226 FBLJVCBHQZBBNU-IJLUTSLNSA-N 347.871 4.623 0 40 EJAB Cc1cc(Cl)ccc1OCCCC(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 102607669 IZTFTQNBTGOQST-MUQADHOPSA-N 349.902 4.748 0 40 EJAB CO[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H](OC(C)=O)C[C@@]4(C)CC[C@@H]32)C1 118926504 FQVPPGVKBAZPLS-ASISCSHQSA-N 346.511 4.896 0 40 EJAB Cc1cc(C)c([C@H](C)NC(=O)[C@@H](C)Oc2ccccc2C)cc1C 223463384 XETMVZDTNBVHRZ-ZWKOTPCHSA-N 325.452 4.565 0 40 EJAB CSc1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2 224631359 YILSHNDCCURDQI-AWEZNQCLSA-N 341.476 4.693 0 40 EJAB CC[C@H](NC(=S)Nc1cccc(Br)c1)c1ccccc1 225479718 WMYNAPFHKFGUEF-HNNXBMFYSA-N 349.297 4.887 0 40 EJAB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCC(C)C)c(C)c1 225624025 BZQUICBOFPCUFI-HXUWFJFHSA-N 335.488 4.954 0 40 EJAB CNc1cc(C)c2oc(Cc3ccc(Br)cc3)nc2c1 226271219 CHRDWXQEQSCBAV-UHFFFAOYSA-N 331.213 4.531 0 40 EJAB Fc1ccc2c(c1)[C@@H]1OCC[C@@H]1[C@H](c1cccc(Br)c1)N2 409190991 XUQVPVLWBHZVCD-XOKHGSTOSA-N 348.215 4.833 0 40 EJAB O=c1nc(-c2cccs2)[nH]c2cc(-c3ccc(F)cc3)sc12 614111847 MIHKWQOWSTZIMZ-UHFFFAOYSA-N 328.393 4.519 0 40 EJAB C[C]1CCC[C@H](C)N1CCC[C@](O)(c1ccccc1)c1ccccn1 1560403853 WCYPEEJGLGCDFA-AVRDEDQJSA-N 337.487 4.524 0 40 EJAB C[C@H]1CC[C@@H]2[C@@H](O1)c1ccccc1OC21CCN(C2CCCC2)CC1 2037976965 VEGSTNWCGGULBE-SCWSEQNSSA-N 341.495 4.712 0 40 EJAB CC(C)CCn1c([C@H](C)NC(=O)c2ccccc2)nc2ccccc21 549247 BUJWXUXULACKHE-INIZCTEOSA-N 335.451 4.573 0 40 EJAB CCN(CC)c1ccc(NC(=O)c2cccc(OC(C)C)c2)c(C)c1 568397 OPROFJXZEATIDJ-UHFFFAOYSA-N 340.467 4.881 0 40 EJAB CCN(C(=O)c1cccc(F)c1)c1nc(-c2ccccc2)cs1 932624 IQTQYHZBHLMGPK-UHFFFAOYSA-N 326.396 4.616 0 40 EJAB Cc1ccccc1NC(=O)[C@H](C)n1c(C(F)(F)F)nc2ccccc21 1394815 KLDMBDJHXMWNJW-LBPRGKRZSA-N 347.340 4.563 0 40 EJAB CCOc1ccccc1-c1nc(-c2cc(C)nc3ccccc23)no1 1429933 OQJALNGZPUOHQU-UHFFFAOYSA-N 331.375 4.659 0 40 EJAB CCOCCCn1c(-c2ccccc2)nc(=S)c2c1CCCC2 2432316 WNAJNBPPUNOQLE-UHFFFAOYSA-N 328.481 4.585 0 40 EJAB CC(=O)c1ccc(NC(=O)CSc2ccc3ccccc3c2)cc1 3382606 FDEXCKMBMCJNLN-UHFFFAOYSA-N 335.428 4.773 0 40 EJAB C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C=C4CC[C@@H]3[C@@H]1CC[C@]2(O)c1ccoc1 5049134 WAODSNXUGKNQRK-PQQZDNAISA-N 340.463 4.609 0 40 EJAB FC(F)(F)c1cnc2c(-c3ccccc3)c(-c3nc[nH]n3)sc2c1 5757239 ZEWHBZDWCODESQ-UHFFFAOYSA-N 346.337 4.767 0 40 EJAB O=C(NC1CCCCC1)c1cccnc1Sc1ccccc1Cl 6509547 OCASPYKFBUFOLT-UHFFFAOYSA-N 346.883 4.949 0 40 EJAB CC(C)Oc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1 8569196 AWLJCZJZCDMLOH-CYBMUJFWSA-N 333.815 4.533 0 40 EJAB Cc1ccc(Nc2ncc3c(n2)C[C@H](c2cccc(C)c2)CC3=O)cc1 10156612 KZEFENAWWWIBLK-KRWDZBQOSA-N 343.430 4.750 0 40 EJAB Cc1nc(-c2cccc(NC(=O)c3c[nH]c4ccccc34)c2)cs1 12887451 UZGXPNJDKCJMEO-UHFFFAOYSA-N 333.416 4.852 0 40 EJAB COC(=O)Nc1c2c(nc3ccccc13)-c1ccccc1C(C)(C)C2 13207076 PUAOPRMWURPAIJ-UHFFFAOYSA-N 332.403 4.914 0 40 EJAB C[C@]12CC[C@@H]3[C@@H](CC[C@H]4CC(CC(=O)O)=CC[C@@]43C)[C@H]1CCC2=O 13408501 ZMIHCYKKQDEVNI-XSUYJZTMSA-N 330.468 4.609 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2cccc(C)c2C)c(C)c1 20460939 LCKPVFJFUZIXGY-QZTJIDSGSA-N 325.452 4.565 0 40 EJAB Fc1cc(Br)ccc1OCc1coc(-c2ccccc2)n1 21906997 KJLQFYGDDFUZDV-UHFFFAOYSA-N 348.171 4.822 0 40 EJAB Cc1cccc(NC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)c1C 24960600 QCXIHDQRNYVTSE-UHFFFAOYSA-N 325.799 4.599 0 40 EJAB C[C@H](N[C@H](C)C(=O)Nc1ccc(F)cc1)c1ccc2ccccc2c1 28352270 UQZJTEIEXIRSBI-LSDHHAIUSA-N 336.410 4.657 0 40 EJAB Cc1cc(C)cc(C(=O)NCc2cccc(COCc3ccco3)c2)c1 32915084 WCKNFBVUWAAMCY-UHFFFAOYSA-N 349.430 4.543 0 40 EJAB CCC(C)(C)NC(=O)c1ccc(-c2nc3ccccc3s2)s1 32963829 GPAKCFKUNOHNDG-UHFFFAOYSA-N 330.478 4.943 0 40 EJAB O=C(O)c1ccc2nc(-c3ccc(OCc4ccccc4)cc3)[nH]c2c1 33559304 HGLQZMHFAPHBJS-UHFFFAOYSA-N 344.370 4.507 0 40 EJAB OC1=Nc2nc(N3CCCCC3)sc2[C@@H](c2cccc(F)c2F)C1 36360582 JCYIABGBOXCZEV-LLVKDONJSA-N 349.406 4.535 0 40 EJAB CCOC(=O)c1ccc(-c2nc3ccc(F)cc3s2)cc1Cl 45923328 DSCOOBYWKJIYHP-UHFFFAOYSA-N 335.787 4.933 0 40 EJAB CCCc1noc([C@@H](C)Sc2nc3ccccc3n2C(F)F)n1 48324178 HLSRUPFQFQVUEG-SECBINFHSA-N 338.383 4.620 0 40 EJAB Clc1ccc(Cl)c2[nH]c(-c3cncc(Br)c3)nc12 73634655 VWTXDLSZMUWODP-UHFFFAOYSA-N 343.011 4.694 0 40 EJAB Cc1nc(Cl)ccc1COC(=O)CCCc1c[nH]c2ccccc12 89536933 ZRLUFCVMINJHCU-UHFFFAOYSA-N 342.826 4.591 0 40 EJAB CN(C)c1ccc(NC(=S)NC2CCCCC2)c2ccccc12 96307453 ASVAPGMPYHMQJT-UHFFFAOYSA-N 327.497 4.525 0 40 EJAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)N(Cc1ccccc1)c1nccs1 106186089 RYEJMQGMLGWJAS-ULQDDVLXSA-N 326.465 4.503 0 40 EJAB CCC(=O)c1cccc(OC(F)(F)F)c1NC(=O)OC(C)(C)C 199832548 BTIGQECKGWXKSC-UHFFFAOYSA-N 333.306 4.525 0 40 EJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1cccc(C(C)=O)c1 216222890 PKTMYEVNOCUYMM-NRFANRHFSA-N 347.414 4.839 0 40 EJAB Cc1c(C=O)c2ccccc2n1C(=O)COc1ccc(C(C)C)cc1 216720148 DKZOTTVCKYLNMF-UHFFFAOYSA-N 335.403 4.605 0 40 EJAB COc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1Cl 222805997 RYUDQKQOUHZJGO-UHFFFAOYSA-N 329.705 4.620 0 40 EJAB Cc1ccc(O[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)O)cc1C 225088979 BKJQPJRGIUWHGG-MRXNPFEDSA-N 339.218 4.685 0 40 EJAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NC[C@@H](C)c2ccccc2)c1 225133836 ODAXKPJJCNQIGN-QZTJIDSGSA-N 339.479 4.806 0 40 EJAB CC[C@H](C)Oc1ccc(NC(=O)C2(OC)CCCC2)c2ccccc12 225804771 OFQZBEFLOVFPCD-HNNXBMFYSA-N 341.451 4.915 0 40 EJAB CC(C)CSc1nnc(NC(=O)Nc2cccc(Cl)c2)s1 225813727 SOTUTRFBSYIQIQ-UHFFFAOYSA-N 342.877 4.584 0 40 EJAB Cc1cc(C)cc(CSCC(=O)Nc2cccc(OC(C)C)c2)c1 408562558 AZQDEGRONDMAFH-UHFFFAOYSA-N 343.492 4.963 0 40 EJAB CC(C)(C)c1cc(C(=O)OCCN2CCCCC2)cc(C(C)(C)C)c1 210672 VQFPVZFHXSEDLN-UHFFFAOYSA-N 345.527 4.924 0 40 EJAB COc1ccc2c(c1)[C@H](C1CCN(C)CC1)Oc1ccccc1S2 347652 AMJLPOOQDHBZPR-FQEVSTJZSA-N 341.476 4.622 0 40 EJAB COc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccccc2F)cc1 501040 ZYCPFAQBMLDKPW-HXUWFJFHSA-N 348.377 4.605 0 40 EJAB Cc1ccc(C2=NN(C(=O)c3ccccc3)[C@H](c3ccco3)C2)cc1 547663 VUYUAJIUHZHAIS-IBGZPJMESA-N 330.387 4.580 0 40 EJAB COc1ccc2c(c1)CC/C(=C/C1(Sc3ccccc3)CC1)[C@@H]2O 1582362 OKRCZDYMOXUSCU-HZMYXVCSSA-N 338.472 4.926 0 40 EJAB C[C@H](Nc1ccccc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 3298637 UERCHJKTFJBUKK-JTQLQIEISA-N 342.748 4.798 0 40 EJAB CCc1cccc(C)c1Nc1c(-c2ccc(C)o2)nc2ncccn12 4734319 GMEFTNWLQQTPIY-UHFFFAOYSA-N 332.407 4.912 0 40 EJAB COc1ccc2oc(C(=O)N3CCC[C@@H]4CCCC[C@H]43)c(C)c2c1 7690001 SORNPEHOJDVEMC-WMLDXEAASA-N 327.424 4.545 0 40 EJAB Cc1ccc(NC(=O)Cc2nc(-c3cc(C)sc3C)cs2)cc1 8295896 MLFJPMBHEJIPBC-UHFFFAOYSA-N 342.489 4.978 0 40 EJAB COc1ccc(C(C)=O)cc1CSc1nc2ccc(Cl)cc2[nH]1 9155205 CSKDUBATPJUXEE-UHFFFAOYSA-N 346.839 4.720 0 40 EJAB Cc1cccc(CCCNC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c1 10110618 ZWDPEJJUHXLAIW-OAHLLOKOSA-N 347.911 4.878 0 40 EJAB C[C@@H](Oc1ccc(F)cc1)C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 10276510 ZSBGSFUZKIWSJV-HUUCEWRRSA-N 343.442 4.768 0 40 EJAB C[C@H](c1cccs1)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 12926405 XQWMRZXHZKJLNX-LLVKDONJSA-N 333.844 4.645 0 40 EJAB Cc1cccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)c1 13669720 FXFKGLCLXZRRSJ-SJORKVTESA-N 339.479 4.937 0 40 EJAB CC(C)CCN1C(=O)c2ccccc2[C@@H]1c1cn(C)c2ccccc12 13942380 DVKHZNPMWLRWQJ-OAQYLSRUSA-N 332.447 4.770 0 40 EJAB COc1ccc(C)cc1NC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1 14397427 WYPUPQNZGZBKMS-AWEZNQCLSA-N 347.842 4.680 0 40 EJAB O=C(Cc1coc2cc3c(cc12)CCC3)Nc1ccc(F)c(F)c1F 15001781 OWEPJWNSWFNDDH-UHFFFAOYSA-N 345.320 4.520 0 40 EJAB c1ccc(CN2CCN(Cc3ccccc3)C2c2cccs2)cc1 19325006 DDJYEIZZRVNZCH-UHFFFAOYSA-N 334.488 4.765 0 40 EJAB COCc1cccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 19679862 HPURUQYTRBPBTC-UHFFFAOYSA-N 343.732 4.758 0 40 EJAB CCOC(=O)c1cnc2cc(Cl)ccc2c1OCc1ccccc1 19897594 PLUKZIOFBUFIFQ-UHFFFAOYSA-N 341.794 4.644 0 40 EJAB Cc1ccccc1-c1noc(-c2cccnc2NC2CCCCC2)n1 20898155 SIQMWPNJBCOLGW-UHFFFAOYSA-N 334.423 4.852 0 40 EJAB CC[C@@H](C)c1ccc(N[C@H](C)C(=O)Nc2ccc(Cl)cn2)cc1 24986469 VBHCVSAQYJIXIG-CHWSQXEVSA-N 331.847 4.688 0 40 EJAB O=C(c1c[nH]c2ccccc12)[C@H](NCc1cccs1)c1ccccc1 25665679 KZVVHEJWCBOWNQ-HXUWFJFHSA-N 346.455 4.943 0 40 EJAB CC(=O)c1cccc(NC(=O)c2cc(C)n(Cc3ccccc3)c2C)c1 27064229 BHNGGKSBANOXKN-UHFFFAOYSA-N 346.430 4.608 0 40 EJAB COc1ccc2nc(C)c(C(=O)Nc3cccc(SC)c3)cc2c1 29689867 YDGMLSBYXRCMTA-UHFFFAOYSA-N 338.432 4.526 0 40 EJAB CSCc1nnc(S[C@@H](C)c2ccc(C(F)(F)F)cc2)o1 69531201 KEWFXGJWFIOWGG-QMMMGPOBSA-N 334.388 4.805 0 40 EJAB Cc1cc(CNC(=O)Nc2ccc(SC(C)(C)C)cc2C)no1 69570580 BNFSEHQGXQNCCE-UHFFFAOYSA-N 333.457 4.504 0 40 EJAB CCCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1csc(C2CC2)n1 95376593 OFWKZBVEJSDXTK-HNNXBMFYSA-N 347.871 4.650 0 40 EJAB C[C@@H](NC(=O)c1ccc(OC2CCCC2)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 102600686 GDIISEFXYHACFU-RPWFAHAXSA-N 327.468 4.563 0 40 EJAB Cc1c(C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)oc2c(Cl)cccc12 108914191 VJCZSCBJRSKIRM-UKTARXLSSA-N 331.843 4.949 0 40 EJAB CCc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1 222721989 GOZYSWPCZVRVEZ-ZIAGYGMSSA-N 331.843 4.547 0 40 EJAB CCO[C@@](C)(C(=O)Nc1cc(C)c(O[C@@H](C)CC)c(C)c1)C1CC1 225725462 JVCRSZGXIAWHDJ-MGPUTAFESA-N 333.472 4.624 0 40 EJAB O=C(O)C1CCC(N[C@H](c2ccccc2)c2cccc(Cl)c2)CC1 263417227 NRHOUAQGISTKOX-XUJQIHCRSA-N 343.854 4.662 0 40 EJAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1c(Cl)cccc1Cl 408702057 AOCWYSMGAFFCFW-SECBINFHSA-N 328.170 4.539 0 40 EJAB CC(C)(CNC(=O)c1ccc(Cl)cc1Cl)c1ccsc1 1565519451 OYECDXJHIDLECK-UHFFFAOYSA-N 328.264 4.763 0 40 EJAB COc1ccc(Cl)cc1NC(=O)NCC(C)(C)c1ccsc1 1565520367 PXNADDUACGMUDC-UHFFFAOYSA-N 338.860 4.509 0 40 EJAB CC(C)CCn1c([C@@H](C)NC(=O)c2ccccc2)nc2ccccc21 549245 BUJWXUXULACKHE-MRXNPFEDSA-N 335.451 4.573 0 40 EJAB O=C(CSCc1ccccc1)Nc1cccc(Cl)c1Cl 563654 IMHDDWJLGWARSB-UHFFFAOYSA-N 326.248 4.865 0 40 EJAB COc1ccc([C@H]2O[C@H](c3ccc(OC)cc3)c3ccccc32)cc1 1646371 KOMIRVIRRBZKHM-FGZHOGPDSA-N 332.399 4.913 0 40 EJAB FC(F)(F)c1cnc(Oc2ccccc2-c2nnco2)c(Cl)c1 3063683 HMLGPPFHLHTEFP-UHFFFAOYSA-N 341.676 4.596 0 40 EJAB COC(=O)[C@]1(C)CCC[C@@]2(C)c3cc(O)c(C(C)C)cc3CC[C@@H]12 4720785 LLPVUJKHELUZHR-HLAWJBBLSA-N 330.468 4.699 0 40 EJAB biogenic O=C(O)c1cc(-c2ccccc2Cl)n(-c2ccc(Cl)cc2)n1 5680042 WAZSDFQNYYOXLO-UHFFFAOYSA-N 333.174 4.544 0 40 EJAB Cc1onc(-c2ccccc2)c1C(=O)N[C@H](C)c1ccc(Cl)cc1 6628353 KJZRXOUARRCTBT-GFCCVEGCSA-N 340.810 4.794 0 40 EJAB CC[C@H](C)c1ccc(NC(=O)[C@@H](C)N(C)Cc2ccccc2F)cc1 6872970 BZMUUPYJEWJFRW-JKSUJKDBSA-N 342.458 4.798 0 40 EJAB CN(C(=S)Nc1ccc(SC(F)F)cc1)c1ccc(O)cc1 8684404 WLURKZASRPSMBH-UHFFFAOYSA-N 340.420 4.540 0 40 EJAB Cc1nc(Nc2ccccc2)nc2c1C(=O)C[C@H](c1ccc(F)cc1)C2 10156540 FLXBLMAAODAIGM-OAHLLOKOSA-N 347.393 4.580 0 40 EJAB CC(C)(C)c1ccc(CCC(=O)NCCSc2ccccc2)cc1 10328988 GDYXGHNTTSKRBI-UHFFFAOYSA-N 341.520 4.825 0 40 EJAB Cc1ccc(C(C)C)c(OCC(=O)N[C@H](c2ccccc2)C2CC2)c1 11207471 AILLTVUAHVLTBV-JOCHJYFZSA-N 337.463 4.765 0 40 EJAB Cc1nc(-c2ccc(F)cc2)c(CC(=O)N[C@@H](C)CCC(C)C)s1 13017045 KTEKTKCRHCIIKL-ZDUSSCGKSA-N 348.487 4.741 0 40 EJAB Cc1cc(C)c2cc3c(nc2c1)O[C@@H](C)CN(Cc1ccccc1)C3 13562928 SRVUXEXRXVWPLI-KRWDZBQOSA-N 332.447 4.635 0 40 EJAB O=c1[nH]c2c(-c3cccc(Cl)c3)sc(=S)n2c2ccccc12 15828618 BXAKRZPIYIVKEV-UHFFFAOYSA-N 344.848 4.892 0 40 EJAB Cc1cc(C)c2c(C)c(C(=O)Nc3nc4c(s3)CCCC4)oc2c1 15832132 WAUDJPMBJJDZLE-UHFFFAOYSA-N 340.448 4.946 0 40 EJAB CC(C)NC(=S)N[C@H](c1ccc2c(c1)CCCC2)c1cccs1 17458150 LMZJPZOZXBRRGH-GOSISDBHSA-N 344.549 4.589 0 40 EJAB CCOC(=O)c1ccc(NC(=O)c2cc3cc(Cl)ccc3o2)cc1 19198389 ASMPHYVYRGCKNH-UHFFFAOYSA-N 343.766 4.515 0 40 EJAB CC[C@H](Oc1ccccc1[C@H](C)CC)C(=O)Nc1cccc(N)c1C 19736760 LZTSAPZVBGLMIR-KUHUBIRLSA-N 340.467 4.887 0 40 EJAB O=C1COc2ccc(Cl)cc2N1Cc1ccc(Cl)c(Cl)c1 19991790 MOINLMLKGDLQQH-UHFFFAOYSA-N 342.609 4.572 0 40 EJAB COc1cccc(NC(=O)C(C)(C)Oc2ccc(C(C)(C)C)cc2)c1 21595385 OIHNBWHPJAXDRQ-UHFFFAOYSA-N 341.451 4.789 0 40 EJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N(C)C1CCCCC1 22520496 ZYLSLDFYUXECJV-FQEVSTJZSA-N 325.452 4.788 0 40 EJAB Cc1ccc2c(C)c(C(=O)Nc3onc4c3C[C@@H](C)CC4)oc2c1C 27794558 DRRLRPNKYQJRPN-JTQLQIEISA-N 338.407 4.723 0 40 EJAB CC(C)c1ccc(OCc2ccc(C(=O)NC3CCCC3)o2)cc1 27983850 JXROKGSVTKGDGT-UHFFFAOYSA-N 327.424 4.654 0 40 EJAB Cc1ccsc1-c1nc(-c2ccc3c(c2)CCC(=O)N3)cs1 32808922 OXQCKNRWKYQQDQ-UHFFFAOYSA-N 326.446 4.732 0 40 EJAB OC1=Nc2c(ncn2-c2cccc(Cl)c2)[C@@H](c2ccsc2)C1 36360348 QVSMSILDGRFQCE-CYBMUJFWSA-N 329.812 4.711 0 40 EJAB C[C@H](NC(=S)Nc1ccc2oc(C3CC3)nc2c1)c1ccccc1 44075206 CVPPOMKZMWOUJU-LBPRGKRZSA-N 337.448 4.753 0 40 EJAB Cc1nc(C(F)(F)F)ccc1NC(=O)Nc1ccccc1Cl 44676314 OPGSIJFJSRTIKK-UHFFFAOYSA-N 329.709 4.706 0 40 EJAB COc1cccc(CN(C)[C@H](C)c2nc3ccccc3s2)c1OC 57503878 GFAZUXIDOWYSCT-CYBMUJFWSA-N 342.464 4.507 0 40 EJAB O=C(c1ccc(F)c(C(F)(F)F)c1)N1CCC[C@H]1c1ccsc1 64621807 MOQBDTFZBDWVPA-AWEZNQCLSA-N 343.345 4.883 0 40 EJAB C[C@H]1CCCC[C@H]1OCc1nc2ccc(-c3ccccc3)cc2c(=O)[nH]1 72051953 JGVIGPQZUQUVSB-MGPUTAFESA-N 348.446 4.685 0 40 EJAB CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2C)cn1 72215144 GLJXFSGZGBTCQP-DOTOQJQBSA-N 347.503 4.778 0 40 EJAB CCCCCN(C(=O)Nc1ccc2c(c1)OCCO2)[C@@H](C)CCC 72305780 WSRCPEYSOVWSGO-HNNXBMFYSA-N 334.460 4.671 0 40 EJAB CC(C)c1ccc2oc(-c3cc(N)cc(Br)c3O)nc2c1 73634562 SRZVMNFACSSKMG-UHFFFAOYSA-N 347.212 4.669 0 40 EJAB Cc1cnn(-c2ccccc2)c1NC(=O)c1ccc(Cl)cc1Cl 84563694 YOYXKYFJVOYJND-UHFFFAOYSA-N 346.217 4.740 0 40 EJAB CC[C@](CNC(=O)c1cccc2ccccc12)(OC)c1ccccc1 96123703 PZXUJHSIHPHZLF-JOCHJYFZSA-N 333.431 4.522 0 40 EJAB CCOCc1cc(C(=O)Nc2ccc(Cl)cc2)ccc1OCC 224694769 VDRZIZHRPRRNGU-UHFFFAOYSA-N 333.815 4.528 0 40 EJAB O=C(c1ccc(OCc2ccccc2)cc1)C(Cl)(Cl)Cl 382676850 VKMNWDRKQJJOII-UHFFFAOYSA-N 329.610 4.819 0 40 EJAB COc1ccc2c(c1)Cc1sc(=Nc3ccc(C)c(Cl)c3)[nH]c1-2 408896514 NYYQSISOAUZSPN-UHFFFAOYSA-N 342.851 4.850 0 40 EJAB Cc1ccc(-c2cncc(C(=O)Nc3ncsc3C(C)C)c2)cc1 569273467 VBLUKULFQNEEKX-UHFFFAOYSA-N 337.448 4.889 0 40 EJAB Cc1noc(C)c1-c1ccc(CNC(=O)Nc2ccccc2Cl)o1 1888921782 ZYUZGLPTJOAUQN-UHFFFAOYSA-N 345.786 4.527 0 40 EJAB CC1=CC(C)(C)N(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc21 169582 OJOPSXLVHZARPP-UHFFFAOYSA-N 347.867 4.731 0 40 EJAB COc1cc2[nH]c(=S)nc(Nc3ccc(C)c(C)c3)c2cc1OC 429307 ZOIMFIZZMJZRTG-UHFFFAOYSA-N 341.436 4.670 0 40 EJAB Cc1cccc2[nH]c3c(N4C[C@@]5(C)C[C@@H]4CC(C)(C)C5)ncnc3c12 543459 FUCNLZHJTDUZOV-QKKBWIMNSA-N 334.467 4.825 0 40 EJAB C[C@H](CN1CCCC1)[C@@](O)(Cc1ccccc1)c1ccc(Cl)cc1 1698660 MEHPGVGVBWKTJB-UTKZUKDTSA-N 343.898 4.502 0 40 EJAB O=C(c1ccc(F)c(Cl)c1)c1ccccc1CN1CCCCC1 2515516 HBLVZUUDHSILFZ-UHFFFAOYSA-N 331.818 4.696 0 40 EJAB COc1ccc(C=O)cc1COc1ccccc1Cc1ccccc1 2537557 CEQWDYFFJGHXKC-UHFFFAOYSA-N 332.399 4.678 0 40 EJAB Cc1ccc(S[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)cc1C 2641301 SVQZOIFGMATRHM-CVEARBPZSA-N 325.477 4.762 0 40 EJAB CCOC(=O)/C(=C\c1ccccc1Cl)P(=O)(OCC)OCC 5723011 LBNOGAOWELCLMX-SDNWHVSQSA-N 346.747 4.510 0 40 EJAB CC[C@@H](NC(=O)COc1ccc(Cl)c(C)c1)c1ccc(C)cc1 5779094 RHOFZQLJKPRFAW-GOSISDBHSA-N 331.843 4.603 0 40 EJAB COc1ccc2c(c1)C(c1ccccc1)=NN=C(c1ccc(C)cc1)N2 6076805 BUIXPOLWRTVYMD-UHFFFAOYSA-N 341.414 4.628 0 40 EJAB C[C@H](CCc1ccccc1)NC(=O)C1(c2ccc(Cl)cc2)CCC1 6852849 VHUNXTIXVSWINP-MRXNPFEDSA-N 341.882 4.899 0 40 EJAB Cc1ccc(NC(=O)N(C)[C@H](C)c2nc3ccccc3s2)cc1 6939464 XDPRKGJLIHVMIE-CYBMUJFWSA-N 325.437 4.830 0 40 EJAB CC(C)c1ccc(S(=O)(=O)Nc2ccccc2C(C)(C)C)cc1 7056496 DGVHOBWIHSBHML-UHFFFAOYSA-N 331.481 4.908 0 40 EJAB CC(C)NC(=O)CS[C@H](c1ccccc1)c1ccc(Cl)cc1 7148589 NMZZJRDZCHHYBH-GOSISDBHSA-N 333.884 4.687 0 40 EJAB Cc1cccc(OCCCn2c([C@@H]3CCCO3)nc3ccccc32)c1 7425454 LJMOIGOMMBBYRZ-FQEVSTJZSA-N 336.435 4.665 0 40 EJAB CC1=C(C)[C@H](Nc2ccccc2)N([C@@H](C)CCc2ccccc2)C1=O 8986005 JLGJJBBOKQARCR-HRAATJIYSA-N 334.463 4.625 0 40 EJAB CCCCc1nnc(NC(=O)Nc2ccc(Cl)c(Cl)c2)s1 9066190 SJGPKWCRSDEFPG-UHFFFAOYSA-N 345.255 4.832 0 40 EJAB O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(Cl)ccc1Cl 13587522 MQAXGMKOSXBMHT-UHFFFAOYSA-N 338.278 4.940 0 40 EJAB Cc1cccc(COc2ccccc2C(=O)Nc2ncc(C)s2)c1 14662287 FCHJMPCBNWKPIV-UHFFFAOYSA-N 338.432 4.591 0 40 EJAB O=C(c1ccccc1Cl)N1CCCC[C@@H]1CCN1CCCCCC1 15831546 BSESPURWKYSJPK-QGZVFWFLSA-N 348.918 4.601 0 40 EJAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cccnc3)o2)cc1Cl 16346832 DXHXLPHEBICLQN-VQHVLOKHSA-N 338.794 4.955 0 40 EJAB CSC(=S)C[C@@H](O)[C@H]1CC2c3ccccc3C1c1ccccc12 16958738 HBXQKYHUVCXNNU-SFANZJOMSA-N 340.513 4.725 0 40 EJAB Cc1ccc(-c2cc(C(=O)N3CCCC3)c3cc(Cl)ccc3n2)o1 17071322 SJILWDKDYOHZQP-UHFFFAOYSA-N 340.810 4.693 0 40 EJAB CCc1ccccc1O[C@@H](C)C(=O)Nc1cccc(Cl)c1Cl 20461040 RPDQMLAXEQHJTM-NSHDSACASA-N 338.234 4.962 0 40 EJAB Cc1cccc(-n2ccnc2S[C@@H](C)c2nc(C(C)(C)C)no2)c1 24046741 YTPNNIITLGQOFR-ZDUSSCGKSA-N 342.468 4.715 0 40 EJAB O=C([C@H]1Cc2ccccc2S1)N(Cc1ccccc1)c1ccccc1 24955689 YLRSRRZMDDXKSN-OAQYLSRUSA-N 345.467 4.937 0 40 EJAB Cc1ccc(-c2nnc(CN[C@H](C)c3ccccc3Cl)o2)cc1 25919705 NTDCWOHTXKCWQU-CYBMUJFWSA-N 327.815 4.549 0 40 EJAB CC(=O)c1cccc(OCc2cccc(C(=O)Nc3ccccc3)c2)c1 54175150 GBBGBZTUEMQFSH-UHFFFAOYSA-N 345.398 4.721 0 40 EJAB CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)c1ccc(C)c(C)c1 59351339 LPHLTGFFYNMYPJ-MAUKXSAKSA-N 345.870 4.992 0 40 EJAB COc1cccc(CN[C@H](C)c2ccc(Cl)c(Cl)c2)c1OC 72670765 SQKMQQFXRAJFEA-LLVKDONJSA-N 340.250 4.861 0 40 EJAB O=C(Nc1ccc2[nH]c(=S)oc2c1)c1ccccc1OC1CCC1 79112042 CPABIZQAAMCUEU-UHFFFAOYSA-N 340.404 4.674 0 40 EJAB CS[C@H](C)C(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)o1 84098548 TVKBMZNXQWNUGM-CYBMUJFWSA-N 338.432 4.699 0 40 EJAB Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@@H](C)NCCCC(C)C 95450971 KOEWMCWRWGVXCS-OAHLLOKOSA-N 349.519 4.502 0 40 EJAB CC(C)(C)OC(=O)N[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 95836974 KJRNXFVJPCQLFL-MOPGFXCFSA-N 339.435 4.646 0 40 EJAB C[C@@H](NCC1(c2ccccc2)CCCC1)c1ccc([S@](C)=O)cc1 95967222 DVLREDXKWJKQDJ-MZNJEOGPSA-N 341.520 4.587 0 40 EJAB CC[C@H](Nc1ccc2c(c1)CC(=O)N2)c1ccc(Br)cc1 97014934 HWEHKYQOJQONKP-HNNXBMFYSA-N 345.240 4.507 0 40 EJAB Clc1ccc(-c2cs/c(=N/c3cccnc3)n2C2CC2)cc1 103457857 WOFJOEFTTYLZIT-LVZFUZTISA-N 327.840 4.832 0 40 EJAB O=C(Nc1ccsc1-c1nc(C2CC2)no1)c1ccccc1Cl 206666661 FGQSXEPEINORLK-UHFFFAOYSA-N 345.811 4.581 0 40 EJAB Cc1ccc2oc(-c3ccc(I)c(C)c3)nc2c1 216733359 AVMRRQAZVWJLGA-UHFFFAOYSA-N 349.171 4.716 0 40 EJAB CSc1cccc(NC(=O)C2CCN(c3ccc(C)cc3)CC2)c1 219854147 BRGQZPRLJNGFCU-UHFFFAOYSA-N 340.492 4.572 0 40 EJAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccccc3Cl)N21 222643029 IRFFMRJOANZFJP-JCURWCKSSA-N 343.883 4.714 0 40 EJAB COC(=O)c1cc(N)ccc1Nc1ccccc1Oc1ccccc1 225494777 RCQSZJJPYAMGCM-UHFFFAOYSA-N 334.375 4.591 0 40 EJAB Cc1ccc2c(c1)[C@H](NC(=S)Nc1ccccc1F)CC(C)(C)O2 225673424 PZQYVCSHVJTQDA-MRXNPFEDSA-N 344.455 4.723 0 40 EJAB CCCCOc1ccc(NC(=O)C2(C)CCCC2)cc1C(=O)OCC 225787777 HLSOWYSWMLTOHZ-UHFFFAOYSA-N 347.455 4.561 0 40 EJAB c1ccc(OC2CCCC2)c(CN2[C@H]3CC[C@H]2c2cccnc2C3)c1 253588781 SHMDXZSSOSXTNJ-UWJYYQICSA-N 334.463 4.665 0 40 EJAB CC(C)Oc1ccc(C(=O)NC2(c3cccs3)CCCC2)cc1 390827367 GOLYHNNEUIQECX-UHFFFAOYSA-N 329.465 4.735 0 40 EJAB Cc1ccccc1[C@H](C)Cc1nnc([C@H]2CCO[C@@H]2c2ccccc2)o1 521394012 XZJLOUKOBBBOLX-LKUPVBHCSA-N 348.446 4.969 0 40 EJAB CCCC[C@@H](COC)NC(=O)c1ccccc1Oc1cccc(C)c1 1538581745 DJNPUXDBKAUTIM-KRWDZBQOSA-N 341.451 4.722 0 40 EJAB COc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(C)cc2)cc1 175927 OSWMWLNZWFUBAR-OAQYLSRUSA-N 344.414 4.775 0 40 EJAB COc1ccc([C@H](CCNCc2ccco2)Cc2ccccc2)cc1 1808429 KGMHFIBEEIRSCJ-HXUWFJFHSA-N 335.447 4.794 0 40 EJAB biogenic c1ccc(CC2CCN(c3ncnc4c3oc3ccccc34)CC2)cc1 3378858 MKIMINMDDGHNRI-UHFFFAOYSA-N 343.430 4.835 0 40 EJAB Cc1ccc(CSc2nnc(-c3ccc(Cl)cc3)n2C)cc1 4362105 ATAFXIJGHZMGBR-UHFFFAOYSA-N 329.856 4.736 0 40 EJAB Cc1ccc(SCCC(=O)Nc2nc3c(s2)C[C@@H](C)CC3)cc1 4496509 AUUYNRQEPLFOAP-ZDUSSCGKSA-N 346.521 4.697 0 40 EJAB CCCCCSc1nnc(-c2ccc(Br)cc2)o1 4550626 PCLLTHKLTLUJQK-UHFFFAOYSA-N 327.247 4.781 0 40 EJAB O=C(Cc1ccccc1Cl)Nc1ccc(N2CCCCC2)cc1 6248988 UBNRKBWVHLJGJM-UHFFFAOYSA-N 328.843 4.512 0 40 EJAB COc1ccc(CCNCc2cccc(OCc3ccccc3)c2)cc1 8474485 XVJBWDWEMFRJOI-UHFFFAOYSA-N 347.458 4.607 0 40 EJAB Cc1cc(CSc2ncnc3scc(-c4ccccc4)c23)no1 8707675 LTDIBDZZGOYPAT-UHFFFAOYSA-N 339.445 4.947 0 40 EJAB OCc1cnc(SCc2cccc3ccccc23)n1C1CCCC1 9650286 QRXCJGXTHVBYEV-UHFFFAOYSA-N 338.476 4.936 0 40 EJAB O=C(/C=C/c1ccco1)Nc1nc2c(Cl)c(Cl)ccc2s1 10916758 VUGGWHIIVHIRBU-ZZXKWVIFSA-N 339.203 4.848 0 40 EJAB CCCC(=O)Nc1nc(-c2cccs2)c(-c2cc(C)no2)s1 12233056 YLFCLRNVLGLFRA-UHFFFAOYSA-N 333.438 4.574 0 40 EJAB O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)[C@@H]1CC=CCC1 12625217 YXRGBMULCHIBRW-MRXNPFEDSA-N 325.383 4.591 0 40 EJAB O=C(CCc1ccccc1)Nc1nc(-c2c[nH]c3ccccc23)cs1 14711171 FBSVQWXXUCGLBL-UHFFFAOYSA-N 347.443 4.863 0 40 EJAB Cc1cc(F)ccc1NC(=O)CCCOc1ccc(Cl)cc1C 21304670 FIGFSPRWVRVKKU-UHFFFAOYSA-N 335.806 4.894 0 40 EJAB O=C(/C=C/c1ccsc1)N1Cc2ccccc2[C@H](c2ccccc2)C1 29226891 YLAMAVSQZZJMSQ-ZJVMWOEPSA-N 345.467 4.936 0 40 EJAB COc1ccc(CN(C(=O)c2oc3ccccc3c2C)C2CC2)cc1 48291077 IGSQSZOCHPZQQK-UHFFFAOYSA-N 335.403 4.555 0 40 EJAB Cc1noc(C(C)C)c1C(=O)N[C@H]1CCC(C)(C)c2ccccc21 58139326 PXSNHURYIOSSPY-INIZCTEOSA-N 326.440 4.649 0 40 EJAB Cc1csc([C@@H]2CCCCN2C(=O)C[C@@H]2CCc3ccccc32)n1 72285662 HQTWPCIYSFRWBY-WMZOPIPTSA-N 340.492 4.625 0 40 EJAB COc1cc([C@@H](C)NCc2cccc3cccnc23)ccc1SC 95421287 KDGWIXSNXLLTIC-CQSZACIVSA-N 338.476 4.816 0 40 EJAB FC(F)(F)c1cc(/N=c2\ssnc2Cl)ccc1Cl 100323233 PLNSPIYZVNCDFH-NVNXTCNLSA-N 331.171 4.763 0 40 EJAB CC(C)c1ccc(CCNC(=O)CSCc2ccc(F)cc2)cc1 216443262 HCCDQRGTSWUFMB-UHFFFAOYSA-N 345.483 4.541 0 40 EJAB CCOC(=O)c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1 216848137 GVBPVZHLEOKFOK-UHFFFAOYSA-N 343.181 4.888 0 40 EJAB CCOC(=O)c1cc(NC(=O)c2cc3ccccc3o2)ccc1Cl 219947430 WCMDLHREPZDYSG-UHFFFAOYSA-N 343.766 4.515 0 40 EJAB Cc1ccccc1O[C@H](Cc1ccc(Oc2ccccc2)cc1)C(=O)O 225109052 GNBVEZGTPZLQTN-OAQYLSRUSA-N 348.398 4.862 0 40 EJAB O=C(O)[C@@H](Cc1ccc(Oc2ccccc2)cc1)OCc1ccccc1 225111480 YQYRRNVNSYESPG-OAQYLSRUSA-N 348.398 4.691 0 40 EJAB Cc1cccc(NC(=S)NCCCc2ccc(OC(C)C)cc2)c1 225567004 AOIQPCOIVHEWBF-UHFFFAOYSA-N 342.508 4.701 0 40 EJAB CCSc1ccccc1NC(=O)COc1cccc2c1CCCC2 225613883 DNXLTEIZOBDFEF-UHFFFAOYSA-N 341.476 4.695 0 40 EJAB CCCO[C@@]1(C(=O)Nc2ccc(OC)c(Cl)c2)CCC[C@@H](C)C1 225666951 FMSKDEUXLSLECN-ACJLOTCBSA-N 339.863 4.663 0 40 EJAB O=C(NCc1ccc(Cl)cc1)NCc1ccc(-c2ccsc2)o1 575611546 WINQRTJYHJHDLV-UHFFFAOYSA-N 346.839 4.661 0 40 EJAB CCC1CCC2(CC1)SCC(=O)N2c1ccc(F)c(Cl)c1 34576 ZSOYBAPPFCRUSX-UHFFFAOYSA-N 327.852 4.855 0 40 EJAB COc1ccc([C@H]2N(C)c3ccccc3-c3nc4ccccc4n32)cc1 203611 GGXWQBHCDCLJPB-QFIPXVFZSA-N 341.414 4.709 0 40 EJAB O=C(CCc1ccccc1)Oc1ccc(Br)cc1Cl 358976 BHSPZSHNUGNONX-UHFFFAOYSA-N 339.616 4.641 0 40 EJAB c1ccc(CC2CCN(c3ncnc4c3[nH]c3ccccc34)CC2)cc1 501377 KGWCDXDLHYKFJN-UHFFFAOYSA-N 342.446 4.570 0 40 EJAB Cc1cccc(N2C[C@H](c3nc4ccccc4n3CC(C)C)CC2=O)c1 539084 JEJKKGGOVRPYLO-QGZVFWFLSA-N 347.462 4.521 0 40 EJAB O=C(c1cn(CCOc2ccccc2Cl)c2ccccc12)C1CC1 578889 ZWWAZTNADUOSPM-UHFFFAOYSA-N 339.822 4.966 0 40 EJAB CCOc1ccccc1C(=O)Oc1ccc(C(=O)c2ccccc2)cc1 1017123 XDDGDDVHPHHLLK-UHFFFAOYSA-N 346.382 4.536 0 40 EJAB CCOc1ccc(C(=O)Nc2ccc(Cl)cc2F)cc1OCC 2642963 FSOHUBNEFMTHTL-UHFFFAOYSA-N 337.778 4.529 0 40 EJAB O=C(Nc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccccc1 2647753 UUVRLWUZZUEUAS-UHFFFAOYSA-N 339.398 4.792 0 40 EJAB aggregator CCC(CC)c1nnc(NC(=O)c2cccc(C(F)(F)F)c2)s1 2656003 QLANQNZACMUZJP-UHFFFAOYSA-N 343.374 4.713 0 40 EJAB O[C@@H](c1ccccc1)c1c[nH]cc1-c1ccc(Br)cc1 3105606 AZIRDFULJUAZDP-KRWDZBQOSA-N 328.209 4.526 0 40 EJAB O=C(Nc1ncc(Cc2ccccc2Cl)s1)c1cccs1 3331570 KIWRETAQONZWDX-UHFFFAOYSA-N 334.853 4.701 0 40 EJAB Brc1ccc2oc3c(Nc4ccccc4)ncnc3c2c1 5177394 LWJBFFXWTPSZOR-UHFFFAOYSA-N 340.180 4.882 0 40 EJAB Cc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c(Br)c1 5750280 SJDZXNXTRVMOSL-UHFFFAOYSA-N 348.284 4.912 0 40 EJAB Cc1ccc(-c2n[nH]c(SCCCC(=O)c3cccs3)n2)cc1 5866143 FWEQNRLCWBXMHD-UHFFFAOYSA-N 343.477 4.597 0 40 EJAB O=C(CSc1cc(Cl)ccc1Cl)c1ccc2c(c1)OCO2 7253989 NUCFGRQPLATWLK-UHFFFAOYSA-N 341.215 4.697 0 40 EJAB COc1ccc(S[C@H](C)C(=O)Nc2ccc(F)c(Cl)c2)cc1 7935359 ASDMEUWPVSLMCD-SNVBAGLBSA-N 339.819 4.607 0 40 EJAB CN(C(=O)c1cccc(C(F)(F)F)c1)[C@@H]1CCCc2ccccc21 8039711 NYHZDENUODFVKL-QGZVFWFLSA-N 333.353 4.855 0 40 EJAB C[C@H](NC(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1)c1ccc(F)cc1 9758005 TXICMUBBFALAJD-KPZWWZAWSA-N 346.833 4.991 0 40 EJAB COc1ccc(C2(NCc3c(C)nc4cc(C)ccn34)CCCC2)cc1 12147589 LKSNTLYOYHEHBQ-UHFFFAOYSA-N 349.478 4.519 0 40 EJAB CC[C@H](C(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)C(=O)c1ccccc1 13406120 DMADGBHCTZPDTK-GDAAHCPNSA-N 330.468 4.900 0 40 EJAB biogenic Cc1cc(O[C@@H](C)C(=O)NCCC2=CCCCC2)cc(C)c1Cl 14397629 WMHSRIWSIVYYHB-HNNXBMFYSA-N 335.875 4.731 0 40 EJAB COc1ccc(C)cc1NC(=O)[C@H](C)Sc1ccc(Cl)cc1 15682715 HUHWLFVFPLJYSY-LBPRGKRZSA-N 335.856 4.776 0 40 EJAB Cc1ccc(C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)c2ccc(C)cc2)cc1 16981166 FHGLVZYTICFTPF-WOZUAGRISA-N 330.427 4.807 0 40 EJAB COc1ccc(Cl)cc1NC(=O)Nc1cc(C)nn1C1CCCC1 28305065 OBQFMRZQBDICDP-UHFFFAOYSA-N 348.834 4.613 0 40 EJAB C[C@H](CSc1nc2ccccc2[nH]1)Sc1nc2ccccc2[nH]1 30835658 AVCMSNFSYYJACV-LLVKDONJSA-N 340.477 4.712 0 40 EJAB COc1ccccc1NC(=O)c1ccc(OCc2cccs2)cc1 32815650 KLEHXFIDAQMTDM-UHFFFAOYSA-N 339.416 4.588 0 40 EJAB CCc1ccc(NC2=NC(=O)/C(=C\c3ccc(Cl)cc3)S2)cc1 35043335 QEZHFROTAGAGCI-LFIBNONCSA-N 342.851 4.985 0 40 EJAB CC[C@H](Oc1ccc(F)cc1)C(=O)N[C@H](CC)c1ccc(C)cc1 44905038 GQJAHKIVSFGORH-MOPGFXCFSA-N 329.415 4.559 0 40 EJAB CCC[C@@H](C(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C)c1ccccc1 49649857 QCEWAJPRXDIRDG-XLIONFOSSA-N 349.478 4.960 0 40 EJAB CC(C)(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1F 59294605 GFIPQJIKRGDQTB-UHFFFAOYSA-N 329.415 4.919 0 40 EJAB CC[C@H](Oc1ccccc1Cl)C(=O)N[C@H](C)c1ccc(C)c(C)c1 59351340 LPHLTGFFYNMYPJ-QAPCUYQASA-N 345.870 4.992 0 40 EJAB CCOC(=O)c1ccc(NC(=O)/C=C/c2cc3cc(C)ccc3o2)cc1 67339713 QPWALQSQUSMBEH-PKNBQFBNSA-N 349.386 4.570 0 40 EJAB O=[S@@](CCSc1nc(-c2ccccc2)cs1)c1ccccc1 71851797 OKPHPTZQMNAFOA-JOCHJYFZSA-N 345.514 4.710 0 40 EJAB Cc1[nH]c(=S)ccc1[C@@H]1CCCN1C(=O)OCc1ccccc1 72218375 XOEYDQCGAITHQG-INIZCTEOSA-N 328.437 4.526 0 40 EJAB CCCn1ccc2ccc(NC(=O)Cc3csc(C(C)C)n3)cc21 72304185 USXNYTIHTAUJOZ-UHFFFAOYSA-N 341.480 4.812 0 40 EJAB Cc1cccc(-c2cccc([C@@H]3CCCN(Cc4ccncc4)C3)n2)c1 72348796 GYUNEUBTDDNWIM-OAQYLSRUSA-N 343.474 4.832 0 40 EJAB COc1cc(-c2nc3c(C)cc(C)cc3s2)cc(OC)c1OC 73635616 OCVZHZNYYYZMOC-UHFFFAOYSA-N 329.421 4.606 0 40 EJAB CCN(C(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F)C1CCCC1 84761146 XYLWGCKMJJCDNB-LSDHHAIUSA-N 325.374 4.600 0 40 EJAB Cc1occc1C(=O)Nc1ccc(OC(C)C)cc1C(F)(F)F 96404150 HKFAUCIBUSMHDQ-UHFFFAOYSA-N 327.302 4.646 0 40 EJAB C[C@H](NC(=S)Nc1ccccc1C(F)(F)F)[C@H]1C[C@@H]2CC[C@@H]1C2 100584432 LEQQCEPSIRJURM-UMSGYPCISA-N 342.430 4.817 0 40 EJAB C[C@H](NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(C(F)(F)F)cc1 105651344 QWQOJISTYPHBJP-JURCDPSOSA-N 325.374 4.709 0 40 EJAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1cccc(SC)c1 222982569 ICBLDYVNSPQVOL-SFHVURJKSA-N 329.465 4.821 0 40 EJAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NC[C@@H](C)c1ccccc1 224128854 CZYFPSUZDBZKOS-SJORKVTESA-N 339.479 4.671 0 40 EJAB O=C(Nc1ccc(N2CCCC2)cc1)c1ccc(N2CCCCC2)cc1 224916328 YUDABGFYKPLVDT-UHFFFAOYSA-N 349.478 4.529 0 40 EJAB Cc1cc(C)c(C[C@H](Oc2cccc3ccccc23)C(=O)O)c(C)c1 225137145 JEEIRHWHLVTXPI-NRFANRHFSA-N 334.415 4.840 0 40 EJAB Cc1ccc(NC(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 225255208 OKPXSWWMLIVUHI-UHFFFAOYSA-N 327.387 4.791 0 40 EJAB O=C1OC(c2ccccc2Cl)=N/C1=C/c1cccc2ccccc12 55340 ODVHOXCNJFIRDW-LDADJPATSA-N 333.774 4.838 0 40 EJAB Cc1sc2nc(NC3CCCCC3)[nH]c(=O)c2c1-c1ccccc1 388008 FQESSFCQOIDFDS-UHFFFAOYSA-N 339.464 4.705 0 40 EJAB Cc1ccc(-c2cc(C(=O)NCc3ccco3)c3ccccc3n2)cc1 411413 LFJGVXFCFNKQCJ-UHFFFAOYSA-N 342.398 4.733 0 40 EJAB Cc1cccc(NC(=O)c2ccccc2C(=O)Nc2cccc(C)c2)c1 437130 SXLQSSWDESUEFW-UHFFFAOYSA-N 344.414 4.808 0 40 EJAB O=C(c1ccc(Cl)cc1)c1ccc(OC(F)(F)C(F)F)cc1 2540197 GGVJXTMLVIPQIZ-UHFFFAOYSA-N 332.680 4.808 0 40 EJAB O=C(Nc1ccc(F)cc1)c1ccc(CSc2ccccc2)o1 2708417 IMJRXFQWRVCBJJ-UHFFFAOYSA-N 327.380 4.963 0 40 EJAB Cc1cccc(C(C)C)c1NC(=O)COC(=O)c1ccccc1Cl 5059750 HVGUYTNFUCXMPG-UHFFFAOYSA-N 345.826 4.567 0 40 EJAB Cc1nnc(CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)o1 5901379 VYGALGYGRMUWGN-UHFFFAOYSA-N 348.431 4.727 0 40 EJAB S=c1[nH]nc(-c2ccccc2)n1NCc1cccc2ccccc12 7601465 DZXQASAKLFYQKL-UHFFFAOYSA-N 332.432 4.505 0 40 EJAB CCCCn1nc(C)c(C(=O)N2CCCc3cc(C)ccc32)c1Cl 7778857 PGABCEXOYPMPPA-UHFFFAOYSA-N 345.874 4.546 0 40 EJAB Cc1noc(C)c1CSc1ccccc1C(=O)NC1CCCCC1 8708231 QNRPCUDFVYLHCA-UHFFFAOYSA-N 344.480 4.646 0 40 EJAB O=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccncc1 9365178 BWGNFHGUMFDUOP-UHFFFAOYSA-N 331.400 4.611 0 40 EJAB Cc1ccc(SC[C@@H]2CSc3nnc(-c4ccccc4)n32)cc1 12898247 NHFBFWKDOZFLSY-OAHLLOKOSA-N 339.489 4.693 0 40 EJAB O=C(Nc1nc2c(s1)CCCCC2)c1cccc(C(F)(F)F)c1 12920847 ZPKMRTYVLPPNBS-UHFFFAOYSA-N 340.370 4.683 0 40 EJAB O=C(CCSCCCOc1ccc(Cl)cc1)Nc1ccccc1 12953588 AEMLJECZEMKSTO-UHFFFAOYSA-N 349.883 4.871 0 40 EJAB CCOc1ccc(/C=C/C(=O)N2CCc3sccc3[C@H]2CC)cc1 12996786 NHRLWWHYPSTAEV-RUJXFNLJSA-N 341.476 4.696 0 40 EJAB C[C@@H](NC(=O)c1cc(-c2ccc(Cl)cc2)on1)c1ccc(F)cc1 14259708 SIGIWLOYPDLPRI-LLVKDONJSA-N 344.773 4.625 0 40 EJAB CN(C)c1cccc(C(=O)Nc2ccccc2Oc2ccccc2)c1 15963726 TWMXTUVIPILGTR-UHFFFAOYSA-N 332.403 4.797 0 40 EJAB CC[C@H](C)Oc1cccc(C(=O)Nc2cccc3ccc(C)nc23)c1 16610478 CMHJOUJQXATUJW-HNNXBMFYSA-N 334.419 4.973 0 40 EJAB O=C(NCCSCc1ccccc1)c1ccc(Cl)cc1Cl 18150050 KWPBLIQRAYKYOB-UHFFFAOYSA-N 340.275 4.657 0 40 EJAB Cc1ccccc1OCC(=O)N[C@H](c1ccccc1)c1ccccc1C 20491752 SRTAPAZAPKPNHJ-HSZRJFAPSA-N 345.442 4.588 0 40 EJAB CC(C)c1cccc(NC(=O)COCc2nc3ccccc3s2)c1 22068054 CMASYVHPKCSNGP-UHFFFAOYSA-N 340.448 4.575 0 40 EJAB CC(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1 22259167 XNHAFXIGRFSADQ-UHFFFAOYSA-N 344.263 4.918 0 40 EJAB Brc1cccc(-c2csc(NCc3ccco3)n2)c1 22459755 TYNNMDMJRWPTHB-UHFFFAOYSA-N 335.226 4.778 0 40 EJAB FC(F)(F)c1nc2ccccc2n1Cc1ncc(-c2ccccc2)o1 29300208 VKTPVWPYSPRVLB-UHFFFAOYSA-N 343.308 4.758 0 40 EJAB COc1ccc(NC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1Cl 30868763 NQFYFYDOISLJBJ-ZDUSSCGKSA-N 347.842 4.878 0 40 EJAB O=C1/C(=C\c2c(Cl)cccc2Cl)N=C(S)N1c1ccccc1 33762973 QRUHCDZYSQJKFF-NTEUORMPSA-N 349.242 4.667 0 40 EJAB CCSc1ccccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1 44844864 YHSYNJIUYYPPBE-LBPRGKRZSA-N 335.856 4.858 0 40 EJAB C[C@@H](c1nc(-c2ccccc2)no1)N1CCC(Cc2ccccc2)CC1 58271508 TWTUHIFZBBKXRM-KRWDZBQOSA-N 347.462 4.752 0 40 EJAB CC[C@@H](NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1)c1ccc(C)cc1 59351759 RGUFYOJJJDOGQT-YLJYHZDGSA-N 325.452 4.647 0 40 EJAB CC[C@H](C(=O)Nc1ccc(SC(F)F)cc1)c1c(C)noc1C 69484586 XCVUHRQMVTURPX-ZDUSSCGKSA-N 340.395 4.738 0 40 EJAB CCc1ccccc1NC(=S)Nc1cccc(OC(F)(F)F)c1 71760790 OQQXPBLMCCGGOY-UHFFFAOYSA-N 340.370 4.957 0 40 EJAB Cc1ccc([C@H]2CCCN2Cc2nnc(-c3cccs3)o2)s1 71910871 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O=C(OCc1ccc(-c2ccccc2)cc1)c1cnc2ccccc2n1 21901225 TWAXYJAFGZGTSB-UHFFFAOYSA-N 340.382 4.654 0 40 EJAB O=C(Nc1ccccc1F)c1cccnc1Nc1cccc(Cl)c1 22072855 UNPUJBRGRCQZLI-UHFFFAOYSA-N 341.773 4.870 0 40 EJAB COc1cccc(Nc2ncccc2C(=O)Nc2c(C)cccc2C)c1 22073090 WGNGLOMQPMYDPV-UHFFFAOYSA-N 347.418 4.703 0 40 EJAB c1coc([C@@H]2Nc3ccccc3[C@H]3c4[nH]c5ccccc5c4CCN32)c1 34087036 KCWBCVWYCIJIAZ-FCHUYYIVSA-N 341.414 4.833 0 40 EJAB CC[C@H](Oc1cccc2ccccc12)C(=O)N1CCc2ccccc21 38757292 JHCRFXFWJYAYMA-FQEVSTJZSA-N 331.415 4.587 0 40 EJAB Clc1ccc(CN2CCC[C@@H](COCc3ccccc3)C2)cc1 62161892 JJCXOIKXBNSVTC-LJQANCHMSA-N 329.871 4.769 0 40 EJAB C[C@@H]1CCCC[C@H]1NC(=O)CCCOc1ccc(Cl)cc1Cl 75241579 PHLXDYYQKXRTQV-IUODEOHRSA-N 344.282 4.847 0 40 EJAB CC[C@H](C(=O)Nc1cccc(-c2nccs2)c1)c1c(C)noc1C 84733920 XMBGSEVYCMLGIR-HNNXBMFYSA-N 341.436 4.547 0 40 EJAB CC(C)(C)N(Cc1cccc(F)c1)C(=O)[C@@H]1CCOc2ccccc21 97141255 YFYUXCFEWCOSBO-GOSISDBHSA-N 341.426 4.519 0 40 EJAB CSc1ccc(NC(=O)C23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)cc1 100806781 HBMHETILIAQWEF-LGBHXNNWSA-N 335.900 4.925 0 40 EJAB CC[C@H](Oc1ccccc1F)C(=O)N[C@@H](CC)c1ccc(C)cc1 113960150 FTKRKYNYDXTSAG-ROUUACIJSA-N 329.415 4.559 0 40 EJAB Cc1cc(C)nc(Nc2cccc(C(=O)Nc3ccc(C)c(C)c3)c2)n1 170564645 PNIBZSPKYJKYDQ-UHFFFAOYSA-N 346.434 4.706 0 40 EJAB CCSc1ccccc1C(=O)N[C@H](C)c1ccc2c(c1)CCC2 223229575 XDVCZWZUDDAFQU-CQSZACIVSA-N 325.477 4.778 0 40 EJAB COc1ccc(-n2c(C)nnc2SCc2cccc(Cl)c2)cc1 409108185 VWRRDJSKSMASTC-UHFFFAOYSA-N 345.855 4.530 0 40 EJAB Cc1ccc(C(=O)Nc2ccccc2-c2cn3c(n2)CCCC3)s1 575619146 HRQWSQDTWCCBPI-UHFFFAOYSA-N 337.448 4.509 0 40 EJAB CCC[C@H](C)c1cc(NC(=O)Nc2ccc3oc(CC)nc3c2)n[nH]1 1562394952 PZKJBIBWCSNXJA-NSHDSACASA-N 341.415 4.661 0 40 EJAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccccc1C 557418 AMHMXYRUBZCCCC-BQYQJAHWSA-N 336.218 4.962 0 40 EJAB CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(C)cc1 568991 PBFNONQITPFARO-CQSZACIVSA-N 326.465 4.635 0 40 EJAB C[C@@H]1CCCCN1C(=O)[C@H](Sc1ccccc1)c1ccccc1 1469207 MNBMQBGZQJIBGJ-VQIMIIECSA-N 325.477 4.921 0 40 EJAB Cc1ccc2[nH]cc(C(=O)CN3CCC(Cc4ccccc4)CC3)c2c1 2451709 IQFHYBOQTPJBEM-UHFFFAOYSA-N 346.474 4.614 0 40 EJAB CC[C@H](Oc1ccccc1)C(=O)NC(c1ccccc1)c1ccccc1 2749187 GFFLPXHEKKSOEU-NRFANRHFSA-N 345.442 4.750 0 40 EJAB C1=C(c2cccnc2)Nc2nc3ccccc3n2[C@@H]1c1cccs1 2914648 URVBPCZBTJGAKH-KRWDZBQOSA-N 330.416 4.549 0 40 EJAB Cc1ccc(C(C)C)c(OC(=O)NC(C(F)(F)F)C(F)(F)F)c1 3094894 NOOQNAUDTJZQAB-UHFFFAOYSA-N 343.267 4.700 0 40 EJAB COc1ccc(Nc2cc(C)nn2-c2nc3ccccc3s2)cc1 3305912 RMXMFEISXNTEOH-UHFFFAOYSA-N 336.420 4.543 0 40 EJAB CC(=O)NC[C@]1(C)CCC[C@@]2(C)c3ccc(C(C)C)cc3CC[C@H]12 4776363 FODXIORRSBDQQV-FSSWDIPSSA-N 327.512 4.956 0 40 EJAB COc1ccc(-c2csc(-c3cc4ccccc4oc3=N)n2)cc1 4792624 WZPKIPXIOLOHFM-UHFFFAOYSA-N 334.400 4.711 0 40 EJAB aggregator O=C(Nc1cccc(-c2cn3ccsc3n2)c1)C1CCCCC1 5083504 PAQVYFXTNZMMSG-UHFFFAOYSA-N 325.437 4.582 0 40 EJAB CC(=O)Nc1ccc(S[C@H](C)C(=O)c2cc(C)c(C)cc2C)cc1 6788209 QETAOLHXYGUCNM-OAHLLOKOSA-N 341.476 4.934 0 40 EJAB O=C(CCCc1c[nH]c2ccccc12)NCCc1ccc(Cl)cc1 6936047 TYCFICQSXYGFCI-UHFFFAOYSA-N 340.854 4.503 0 40 EJAB CC(C)c1ccc(CCNC(=O)N(C)[C@H](C)c2ccc(F)cc2)cc1 9501734 QPDHNEUPSBVOPS-MRXNPFEDSA-N 342.458 4.894 0 40 EJAB CSCc1c(C(=O)N2CCc3sccc3C2)oc2ccccc12 10923009 MTFPELXESIYBLA-UHFFFAOYSA-N 343.473 4.556 0 40 EJAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NC1CCCCCC1 11430134 UCIIIMLRCNPJJH-UHFFFAOYSA-N 346.858 4.767 0 40 EJAB CCOC(=O)c1c(-c2csc(-c3ccco3)n2)c(C)n(CC)c1C 12734455 GPBBZUCCFIGWGW-UHFFFAOYSA-N 344.436 4.685 0 40 EJAB CCOc1ccc(OCCC(=O)Nc2ccccc2C(C)C)cc1 12786923 OGXJTIOLZSZUIW-UHFFFAOYSA-N 327.424 4.616 0 40 EJAB Cc1nc2cc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3C)ccc2o1 12948811 JPFSQXAXYNCUCK-LLVKDONJSA-N 344.798 4.504 0 40 EJAB CN(C)[C@@H](CNCc1ccc(-c2ccccc2F)o1)c1cccs1 22925113 YLRYMFGLIASKLR-KRWDZBQOSA-N 344.455 4.540 0 40 EJAB O=C(Nc1ccc2oc(C3CC3)nc2c1)c1ccc(OC(F)F)cc1 33214043 FJNFTIAFFCUXPT-UHFFFAOYSA-N 344.317 4.559 0 40 EJAB S=C(Nc1ccc2ccccc2c1)Nc1ccc2ncncc2c1 33684196 RUCONKAMTCXNBM-UHFFFAOYSA-N 330.416 4.592 0 40 EJAB Cc1ccc(C(=O)[C@H]2[C@H](c3ccccc3)N2Cc2ccccc2)cc1 36020489 RLTHUIVLGQTWJM-JCVDRHSJSA-N 327.427 4.803 0 40 EJAB O=C(CSc1cccc2cccc(Cl)c12)OCc1ccccn1 36147977 ZKYAWDXMFXKQAZ-UHFFFAOYSA-N 343.835 4.724 0 40 EJAB CCOc1ccccc1C(=O)N1CC[C@H](C)Sc2ccccc21 36393154 HXCXYHBXZBUPPC-AWEZNQCLSA-N 327.449 4.616 0 40 EJAB O=Cc1cc2c(-c3ccccc3)nn(-c3ccccc3)c2nc1Cl 57731440 AVSMJGOIOLEVIA-UHFFFAOYSA-N 333.778 4.553 0 40 EJAB O=C(c1cccc2ccccc12)N1CCC[C@H]1Cc1cccc(F)c1 84598256 NVWIDDJRJKSVPN-IBGZPJMESA-N 333.406 4.826 0 40 EJAB Cc1c(Cl)cccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2 96586419 HASLEELZMPUBQA-CQSZACIVSA-N 343.854 4.933 0 40 EJAB Cc1ccc(OCC(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c(C(C)(C)C)c1 108883869 OWXUMEOFCLZJEU-XLAORIBOSA-N 343.511 4.612 0 40 EJAB Cc1c(C(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)oc2c(Cl)cccc12 108914187 VJCZSCBJRSKIRM-PWNZVWSESA-N 331.843 4.949 0 40 EJAB CCOc1ccc(NC(=O)[C@H](CC)Oc2ccc(Cl)c(C)c2)cc1 113970642 NXOKXGJEUHONPP-SFHVURJKSA-N 347.842 4.843 0 40 EJAB Cn1c(S[C@H]2CCc3c(Cl)cccc32)nnc1-c1ccco1 161763522 BRXBKKRGAYQFDT-AWEZNQCLSA-N 331.828 4.508 0 40 EJAB O=C(Nc1cccs1)N1CCS[C@@H](c2ccccc2F)CC1 219139375 LCIXZGKMXWLFAC-CQSZACIVSA-N 336.457 4.599 0 40 EJAB Cc1ccccc1[C@@H]1CCN(C(=O)Nc2ccccc2)CCS1 219295746 VFPHNZVLFDWBIH-SFHVURJKSA-N 326.465 4.707 0 40 EJAB CCOc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1Cl 223082032 BNFWLHLFZWFQIR-QGZVFWFLSA-N 329.827 4.546 0 40 EJAB CC(C)C(=O)N[C@]1(C)C[C@H](c2cccc(F)c2)O[C@@H]2C[C@H](C)CC[C@H]21 257257290 KOXPSGWQGNEMFD-BLVIHDEWSA-N 347.474 4.623 0 40 EJAB O=C1c2ccccc2N[C@H](c2ccncc2)N1c1ccccc1Cl 34987 WREREZOJTWGLBN-SFHVURJKSA-N 335.794 4.506 0 40 EJAB O=C(Nc1ccc2oc(-c3ccccc3)nc2c1)c1ccccc1F 118185 BREJECQOAIYGKD-UHFFFAOYSA-N 332.334 4.886 0 40 EJAB Cc1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1Cl 365381 VPNIDAYLVLLCDJ-UHFFFAOYSA-N 337.872 4.747 0 40 EJAB O=C(/C=C/c1cccc(F)c1)Nc1ncc(C(F)(F)F)cc1Cl 3231522 NROVXLKUVSZUHI-SNAWJCMRSA-N 344.695 4.545 0 40 EJAB COc1ccc(Br)c(C(=O)Nc2ccccc2C(C)C)c1 3561176 ULQCKZSUGFWFCT-UHFFFAOYSA-N 348.240 4.833 0 40 EJAB CCCCC[C@@H]1[C@@H](OC(=O)Nc2ccccc2)CC[C@@H]1CC(=O)OC 4024243 AUTCMLIZMUTLIQ-NJAFHUGGSA-N 347.455 4.773 0 40 EJAB CC(=O)O[C@@]1(C)CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 4074043 YKEIELWRIARSQU-MOQAAOHWSA-N 346.511 4.920 0 40 EJAB biogenic Cc1oc2ccc(O)cc2c1C(=O)Nc1cccc(C(F)(F)F)c1 4136949 SQPPOYMSVUUZHW-UHFFFAOYSA-N 335.281 4.718 0 40 EJAB COc1cc2c(cc1OC)[C@H]1CCCC[C@H]1O[C@H]2c1ccc(F)cc1 4783957 YCLLGORVUPSCES-FPDPHYFHSA-N 342.410 4.989 0 40 EJAB O=C(CCCSc1nc2ccccc2s1)NCc1cccs1 5978237 HIZKHEPIBAFQAW-UHFFFAOYSA-N 348.518 4.547 0 40 EJAB O=C(Nc1nc2ccccc2[nH]1)c1ccc(Oc2ccccc2)cc1 6506899 UESLTEMBTMOHCS-UHFFFAOYSA-N 329.359 4.608 0 40 EJAB CCc1cccc(C)c1NC(=O)Cc1csc(-c2ccccc2)n1 7652901 UWOLFVWTZSEYMG-UHFFFAOYSA-N 336.460 4.862 0 40 EJAB Cc1ccc(Cn2ncc3c(C(F)(F)F)cc(-c4ccco4)nc32)o1 8337905 GAXZJVCDJYITSD-UHFFFAOYSA-N 347.296 4.660 0 40 EJAB COc1cc(CNCc2ccccc2)ccc1OCc1ccc(C)cc1 8550151 MERZZZCPASJELC-UHFFFAOYSA-N 347.458 4.872 0 40 EJAB COc1ccc(NC(=O)Cc2ccc(SC)cc2)c2ccccc12 10252358 RZWDLFBTFUTQPE-UHFFFAOYSA-N 337.444 4.752 0 40 EJAB CSc1ccccc1C(=O)NCCCc1cccc(OC(C)C)c1 10542309 XMHCTYGBGIUJGU-UHFFFAOYSA-N 343.492 4.558 0 40 EJAB COc1ccccc1-c1csc(-c2c(C)nc3sccn23)n1 12564392 WQFQGLPCZBYPJP-UHFFFAOYSA-N 327.434 4.503 0 40 EJAB Cc1ccc(CN(C)Cc2nc(-c3cccc(Cl)c3)no2)c(C)c1 12942615 SSTKDVAZDFJRMT-UHFFFAOYSA-N 341.842 4.639 0 40 EJAB CC[C@@H](C)c1ccccc1NC(=O)CN1CCc2sccc2[C@@H]1C 14247201 QJBOLBSXTIZPLP-CABCVRRESA-N 342.508 4.819 0 40 EJAB C[C@@H](NC(=S)Nc1cccc(C(F)(F)F)c1)c1ccc(F)cc1 16316054 PPLQFGGZUAGNJV-SNVBAGLBSA-N 342.361 4.892 0 40 EJAB O=C(N[C@H](c1ccccc1)c1cc2ccccc2o1)[C@H]1CC=CCC1 24709014 WNVKKJFOTZADNL-LAUBAEHRSA-N 331.415 4.995 0 40 EJAB O=C(NC1CCC(c2ccccc2)CC1)c1ccccc1OC(F)F 25098216 JBCKLHCNKPAFIS-UHFFFAOYSA-N 345.389 4.744 0 40 EJAB CC(C)C(=O)Nc1ccc(-c2nc3cc(C(C)C)ccc3o2)c(O)c1 70462050 KGZVGIIVVUCFFX-UHFFFAOYSA-N 338.407 4.918 0 40 EJAB CCCC[C@@]1(CCN[C@@H]2CCOC(C)(C)C2)CCOC(C)(C)C1 96116120 QDPMBWGVEAFXML-YLJYHZDGSA-N 325.537 4.689 0 40 EJAB biogenic CC1(C)CC2=Nc3ncnn3[C@H](c3ccc4ccccc4c3)C2=C(O)C1 102895339 IDDCOCOVEJLLCY-LJQANCHMSA-N 344.418 4.739 0 40 EJAB O=C1S/C(=C/C=C/c2ccco2)C(=O)N1Cc1ccc(Cl)cc1 214171901 VSXZHEHCNCHYIV-FFBKCXOWSA-N 345.807 4.726 0 40 EJAB Cc1ccc2c(c1)[C@H](NC(=O)Cc1cccc(Cl)c1)CC(C)(C)O2 224240097 GGMQMBXKKDRMMV-QGZVFWFLSA-N 343.854 4.610 0 40 EJAB CCc1ccc(OCCNC(=O)c2ccccc2SC(C)C)cc1 224640578 AQOCZPPFNNSRIK-UHFFFAOYSA-N 343.492 4.558 0 40 EJAB CCCOc1ccc(NC(=O)C2(OCCC)CCCC2)cc1Cl 225656259 HVUXGLOZBUKUIZ-UHFFFAOYSA-N 339.863 4.807 0 40 EJAB Cc1ccccc1[C@H](C)NC(=S)Nc1cccc(OC(C)C)c1 225754606 YERUEXCLGBIUOH-HNNXBMFYSA-N 328.481 4.830 0 40 EJAB Fc1ccc(NC(=S)NC2(c3cccs3)CCCC2)c(F)c1 225857455 ZEYQGNXVIFUSDB-UHFFFAOYSA-N 338.448 4.782 0 40 EJAB CC1(C)CC[C@@H](NC(=O)CCc2cscn2)[C@H](c2ccccc2)C1 1632867044 MQHAAWUKPKKHGW-ZWKOTPCHSA-N 342.508 4.554 0 40 EJAB Nc1ccccc1C=Cc1cc(/C=C/c2ccccc2)c(N)cc1N 2049238484 DDUKLWGPDOXUEL-YXRPGFJPSA-N 327.431 4.774 0 40 EJAB COc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)/C=C/c1ccccc1 273254 LHVDEKIDPVNWBK-JLHYYAGUSA-N 333.431 4.937 0 40 EJAB C[C@@H]1CCc2nc(NC(=O)c3cc(Cl)cc(Cl)c3)sc2C1 567767 RYUZUYVQFDRLAH-MRVPVSSYSA-N 341.263 4.827 0 40 EJAB COc1ccc(Cc2nc3ccccc3n2Cc2ccccc2)cc1 572395 NVDLLGDFPZSYTD-UHFFFAOYSA-N 328.415 4.684 0 40 EJAB Fc1ccc(NC(=S)N[C@@H]2CCCc3ccccc32)cc1Cl 968792 HUOFGHOYHVIJEU-MRXNPFEDSA-N 334.847 4.843 0 40 EJAB CCSc1nnc(-c2ccccc2Cl)n1-c1ccc(OC)cc1 3492332 NEEJSUAWYNLRFZ-UHFFFAOYSA-N 345.855 4.708 0 40 EJAB Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)C2CC2)cc1C 4353820 YFRWWSPAVHCSFS-UHFFFAOYSA-N 348.402 4.650 0 40 EJAB COc1ccc(NC(=O)Nc2ccc(-c3csc(C)n3)cc2)cc1 4940994 DAEHISYRHQOYFZ-UHFFFAOYSA-N 339.420 4.771 0 40 EJAB O=C(CC1CCCCC1)Nc1ccc(-c2cn3c(n2)SCC3)cc1 5083921 JWPHAIFSILFUEQ-UHFFFAOYSA-N 341.480 4.565 0 40 EJAB CCc1c(C)c2ccc3c(c2oc1=O)CN(c1ccc(C)cc1C)CO3 5478081 LAKBWWJXISSGOT-UHFFFAOYSA-N 349.430 4.637 0 40 EJAB Cc1c(C(=O)N(C)CCOc2ccc(Cl)cc2)oc2ccccc12 6310252 WIHIHWYJUNNVLZ-UHFFFAOYSA-N 343.810 4.546 0 40 EJAB CCCOc1ccc(C(=O)Nc2cccc3ccccc23)cc1OC 6415417 QFTGDXSNKOQBFH-UHFFFAOYSA-N 335.403 4.890 0 40 EJAB O=C(Cc1c(Cl)cccc1Cl)N[C@@H](c1cccs1)C1CC1 12912297 QVOKBQOMJDSFCW-MRXNPFEDSA-N 340.275 4.865 0 40 EJAB COc1cc(SC)ccc1C(=O)N[C@H](C)c1cc2ccccc2o1 12974830 OQDFPVRJDKFFRU-GFCCVEGCSA-N 341.432 4.654 0 40 EJAB Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)NC(C)(C)C)cc12 13014194 MXWFLNWTSQUREU-UHFFFAOYSA-N 347.871 4.577 0 40 EJAB C[C@H](O)c1nc2ccccc2n1CCCOc1ccc2ccccc2c1 13566037 ATBUORYSCCMVFT-INIZCTEOSA-N 346.430 4.712 0 40 EJAB CCOc1ccc(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 14665155 GRPJRRFOCAVHJC-OAHLLOKOSA-N 341.451 4.789 0 40 EJAB CCC(=O)Nc1ccc(Nc2nc(C)cc(Nc3ccccc3)n2)cc1 17248274 OSYPHAYJLWSKAB-UHFFFAOYSA-N 347.422 4.621 0 40 EJAB Cc1nc(Nc2ccc(F)cc2)sc1C(=O)Nc1ccc(F)cc1 22245785 WEZVEOGNXKVHJS-UHFFFAOYSA-N 345.374 4.726 0 40 EJAB Cc1c(C(=O)N[C@@H](C)c2ccccc2OC(F)F)oc2ccccc12 25295777 WOKMTPXKCCHVQR-LBPRGKRZSA-N 345.345 4.834 0 40 EJAB Cc1csc(NC(=O)c2ccc(COc3ccc(Cl)cc3)o2)n1 28576161 AHOFCXQOSPVECL-UHFFFAOYSA-N 348.811 4.529 0 40 EJAB O=C(CC1CCCCC1)N1CCC[C@@H](c2nc3ccccc3o2)C1 31129234 WZSXILNREQIKBK-MRXNPFEDSA-N 326.440 4.504 0 40 EJAB CN(Cc1ccc(F)c(F)c1)C(=O)c1sccc1-c1ccccc1 32760765 MOBSDYLMXPDDON-UHFFFAOYSA-N 343.398 4.966 0 40 EJAB Cc1ccc(CN(CCCn2ccnc2)Cc2ccccc2Cl)o1 36740247 JXBTZLXKUOZJRT-UHFFFAOYSA-N 343.858 4.530 0 40 EJAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H](C)C(=O)[C@@]4(C)CC[C@@H]32)C1 39307988 CEDMTUMXNJENDO-HADFKBABSA-N 344.495 4.696 0 40 EJAB biogenic Cc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)c(C)c1 40478252 DZCOJKGGLROFIP-UHFFFAOYSA-N 325.799 4.599 0 40 EJAB CCOC(=O)/C=C/c1ccc(-c2cc(C)c(Br)c(C)c2)o1 45888737 HLNJTHYMNPNVTL-SOFGYWHQSA-N 349.224 4.902 0 40 EJAB COc1ccc([C@H](C)NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1 59351893 KOLVVXJWXZXDMI-AHQMPEJBSA-N 337.463 4.883 0 40 EJAB Cc1cc(NC(=O)/C=C/c2ccccc2)ccc1Oc1cccnc1 72028759 AVHPBBREGPLCAO-FMIVXFBMSA-N 330.387 4.834 0 40 EJAB CC(C)(C)Sc1ncccc1[C@H]1CCCN1C(=O)c1ccccc1 72217429 UHVNBDCIGSHAGC-QGZVFWFLSA-N 340.492 4.950 0 40 EJAB CCC[C@H](CNC(=O)c1cc(-c2ccc(C)cc2)on1)c1ccccc1 72238633 YAXDLRMUNAWLHL-LJQANCHMSA-N 348.446 4.964 0 40 EJAB CCc1ccc(-n2c(C)nnc2-c2ccc(Br)cc2)cc1 84847584 FSFAVMUCBYVKSQ-UHFFFAOYSA-N 342.240 4.568 0 40 EJAB CCc1ccc([C@@H](Nc2cc(Cl)nc(N)n2)c2cccs2)cc1 89284798 VCUAEOXTZRWKHJ-MRXNPFEDSA-N 344.871 4.538 0 40 EJAB Cc1cc(C)c2[nH]c(C(=O)N3CC[C@@H]3c3ccc(F)cc3)c(C)c2c1 91779464 XCDXDCYZIAVOIN-GOSISDBHSA-N 336.410 4.819 0 40 EJAB Cc1ccc(CCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1C 96621627 JLFSYFXTDMZNMS-UHFFFAOYSA-N 337.341 4.773 0 40 EJAB O=C(O)CS/C(=C/c1ccc(F)cc1)c1nc2ccccc2s1 96833603 GPBHAGSKMKDBQD-OQLLNIDSSA-N 345.420 4.751 0 40 EJAB CCCOc1ccc(C(=O)N[C@H](CC)c2ccc(C)cc2C)cc1 218983062 JSCHZOURIPIXPO-HXUWFJFHSA-N 325.452 4.973 0 40 EJAB CC[C@H](NC(=O)[C@@H](C)Oc1cccc(Cl)c1)c1ccc(C)cc1C 219292819 QRLMJCOSQPVCCV-BEFAXECRSA-N 345.870 4.992 0 40 EJAB Cc1ccc(SCC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1 222903342 BWYQESGAQLIEMR-MRXNPFEDSA-N 339.504 4.843 0 40 EJAB O=C(Cc1ccc(-c2ccccc2)cc1)NC12CC3CC(CC(C3)C1)C2 224975092 PPCMOWZKFUBWHJ-UHFFFAOYSA-N 345.486 4.981 0 40 EJAB O=C(CCc1ccc(Cl)cc1)NCc1ccc(Cl)cc1Cl 225302696 YOURORVRSDEXJP-UHFFFAOYSA-N 342.653 4.896 0 40 EJAB CC1(C)COc2ccc(C(=O)Nc3cccc4ccccc34)cc2OC1 225359339 YNQZSWVVGMUTKV-UHFFFAOYSA-N 347.414 4.890 0 40 EJAB CO[C@]1(C(=O)Nc2ccc(OCC(C)C)c(C)c2)CCC[C@H](C)C1 225637737 WVOYMJBLHVQXEW-MGPUTAFESA-N 333.472 4.564 0 40 EJAB Cc1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)cc1 248098887 OMOHHANHPQZDFI-IQUZMVKNSA-N 333.431 4.990 0 40 EJAB Cc1cc(Cl)cc(CNc2ccccc2OCCn2ccnc2)c1 583097429 HTPKATOUYGEHJC-UHFFFAOYSA-N 341.842 4.536 0 40 EJAB O=C1OC(c2ccccc2Cl)=N/C1=C/c1ccc2ccccc2c1 28005 YBSVSQVJIJOXCJ-LDADJPATSA-N 333.774 4.838 0 40 EJAB CC(C)Sc1nnc(-c2ccccc2)n1-c1ccc(F)cc1F 2618276 UBNYBGBMQZYUEF-UHFFFAOYSA-N 331.391 4.713 0 40 EJAB O=C(CSc1cc(Cl)ccc1Cl)Nc1ccc(Cl)cn1 2626173 VTFNZYIRDLYCMG-UHFFFAOYSA-N 347.654 4.773 0 40 EJAB Cc1ccc(NC(=O)c2sc3nc(-c4ccccc4)cn3c2C)cc1 2710373 GJZLDCIFQRXTBI-UHFFFAOYSA-N 347.443 4.932 0 40 EJAB O=C(COc1ccc(-c2ccccc2)cc1)Nc1ccc(F)cc1F 3207487 FVSZEHRREHZENS-UHFFFAOYSA-N 339.341 4.649 0 40 EJAB CCNc1ncnc2scc(-c3ccc(Br)cc3)c12 3413381 ZMFJALZBQQVHMM-UHFFFAOYSA-N 334.242 4.553 0 40 EJAB C[C@]1(O)CC[C@@H]2[C@H]3CCC4=C(Cl)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 4026904 SOMOGWLYTLQJGT-BLAHRTAXSA-N 336.903 4.836 0 40 EJAB biogenic CCn1c(/C=C/c2ccc(Cl)cc2Cl)nc2ccccc2c1=O 4899257 GPCWFPOBSPAGFJ-CSKARUKUSA-N 345.229 4.894 0 40 EJAB CCSCc1nnc2c3ccccc3c(-c3ccc(C)cc3)nn12 5304928 FPNCBEIQPHFKJU-UHFFFAOYSA-N 334.448 4.506 0 40 EJAB Fc1ccc(-c2cc3n(c2)CCc2cc4c(cc2-3)OCCCO4)cc1 5354375 KAWGYBLCJZGSEU-UHFFFAOYSA-N 335.378 4.679 0 40 EJAB O=C(Nc1ccc2c(c1)ncn2C1CCCCC1)c1ccccc1F 5452277 JDWKNMDDHSUJOU-UHFFFAOYSA-N 337.398 4.933 0 40 EJAB CC(C)CNS(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C 5498001 LLWOZQOYTRSJEI-UHFFFAOYSA-N 339.545 4.991 0 40 EJAB COc1ccccc1Nc1nnc(SCc2ccccc2)s1 6508908 RSQQYQOHTHAVCA-UHFFFAOYSA-N 329.450 4.583 0 40 EJAB CC(C)Oc1ccc(NC(=O)[C@H](Cc2ccccc2)n2cccc2)cc1 12138152 IRKJJCLFPNMDEF-NRFANRHFSA-N 348.446 4.698 0 40 EJAB CCOC(=O)c1cc2c(C(F)(F)F)cc(-c3cccs3)nc2o1 12560519 APRGLQGKRWHRRQ-UHFFFAOYSA-N 341.310 4.752 0 40 EJAB Cc1ccc(C(=O)Nc2cccc(CNCc3ccc(F)cc3)c2)cc1 12747950 FNAWCEKXTMKNKF-UHFFFAOYSA-N 348.421 4.676 0 40 EJAB O=C(Cc1ccc2ccccc2c1)NCc1ccc(C(F)(F)F)cc1 12987420 QLFSSLILQUXIBD-UHFFFAOYSA-N 343.348 4.718 0 40 EJAB O=C(CSCc1ccccc1Cl)N1CCCc2ccccc21 13669677 KTCYHLYTINEOPY-UHFFFAOYSA-N 331.868 4.553 0 40 EJAB Cc1ccc(CN(C(=O)c2oc3ccccc3c2C)c2ccccn2)o1 15669865 YIBICKVHUVQNBV-UHFFFAOYSA-N 346.386 4.885 0 40 EJAB CC(C)c1ccc(NC(=O)C[C@H](C)CC(=O)Nc2ccccc2)cc1 18094059 UVYQFCXVCFQJPQ-MRXNPFEDSA-N 338.451 4.804 0 40 EJAB Cc1ccc(C(=O)Nc2cccc3cnccc23)cc1-n1cccc1 21219986 RJIQCQUSZDCBCD-UHFFFAOYSA-N 327.387 4.586 0 40 EJAB CCc1cccc(C)c1NC(=O)[C@@H](CC)Oc1cc(C)ccc1C 30758354 KZRHTZCCZTWREJ-GOSISDBHSA-N 325.452 4.970 0 40 EJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(C(=O)O)cc1 30855828 XTSQFYMUSKSSQQ-OAHLLOKOSA-N 349.839 4.548 0 40 EJAB Cc1ccc(NC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1C 36709050 OJTCFPPUEPDSTI-UHFFFAOYSA-N 348.450 4.591 0 40 EJAB c1ccc2c(c1)oc1c(NCc3ccsc3-n3cccc3)ncnc12 40155521 YNTGCYVPZXYBGL-UHFFFAOYSA-N 346.415 4.840 0 40 EJAB Cc1ccc(C)c(-c2cc(-c3nc(-c4cccc(F)c4)no3)[nH]n2)c1 46914309 BRNJGPIAOAREKO-UHFFFAOYSA-N 334.354 4.550 0 40 EJAB C[C@@H](c1ccco1)N(C(=O)Cc1ccc(C(F)(F)F)cc1)C1CC1 60017521 AWDQMOSTQGOAQG-LBPRGKRZSA-N 337.341 4.593 0 40 EJAB O=C(Cc1csc(Cc2ccc(F)cc2)n1)OC1CCCCCC1 65492588 VRIJXOAUNNEXSU-UHFFFAOYSA-N 347.455 4.682 0 40 EJAB Cc1cc(N2CCCc3ccccc32)ncc1[C@@H](N)c1ccccc1 72223927 QXMJYURJILUCDK-QFIPXVFZSA-N 329.447 4.522 0 40 EJAB CCO[C@@H](C)c1nc(CN[C@@H](c2ccc(F)cc2)C(C)C)cs1 76717140 KSNFAIRXIJOLSV-SUMWQHHRSA-N 336.476 4.867 0 40 EJAB Cc1ccccc1-c1nc2cc(NC(=O)C(F)(F)F)cc(C)c2o1 98086948 GULMOXRZHWXYPT-UHFFFAOYSA-N 334.297 4.612 0 40 EJAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)N[C@H](C)c1ccc(C)c(C)c1 222971849 GJGSVPUNJIESAI-UYAOXDASSA-N 339.479 4.955 0 40 EJAB CC(C)(C)CC(C)(C)NC(=O)CCCOc1ccc(Cl)cc1 224144519 RLRZGNJUHKCUKB-UHFFFAOYSA-N 325.880 4.830 0 40 EJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cccc(C)c1C 224307284 CXLYWMFCZYCZTH-NRFANRHFSA-N 337.463 4.978 0 40 EJAB CCC[C@@H](C)NC(=O)c1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 225268646 PIPIBSDTIVTCFX-GFCCVEGCSA-N 341.842 4.802 0 40 EJAB CC[C@@H](CNC(=S)Nc1ccc(C)c(C)c1)Cc1ccccc1 225629509 ADBYSPZIOLBHQN-QGZVFWFLSA-N 326.509 4.859 0 40 EJAB COc1ccc2c(c1)CCC[C@H]2NC(=S)Nc1cc(C)cc(C)c1 225702232 XLSAXTMAGAIZPF-LJQANCHMSA-N 340.492 4.676 0 40 EJAB CCOc1ccc(Nc2nc3c(s2)Cc2cc(OC)ccc2-3)cc1 408888460 VRTKHCXQYGGEIK-UHFFFAOYSA-N 338.432 4.865 0 40 EJAB CC(C)N1C(=O)S/C(=C/c2cccn2-c2ccc(Cl)cc2)C1=O 409019078 XWMSTWSWGABRHX-XNTDXEJSSA-N 346.839 4.575 0 40 EJAB CCCN1C(=O)/C(=C\c2cc(Cl)c(O)c(Cl)c2)c2ccccc21 409120064 UUWOCVHKBXQLAF-JYRVWZFOSA-N 348.229 4.996 0 40 EJAB O=C(O)c1cc2cc(CN3CCC(Cc4ccccc4)CC3)ccc2o1 579553543 AWFBHBRGVJTLNR-UHFFFAOYSA-N 349.430 4.586 0 40 EJAB C[C@H](Nc1ccc(NC(=O)N2CCCCCC2)cc1)[C@H]1CC1(F)F 585141470 WLAJWTIMFWENNZ-XJKSGUPXSA-N 337.414 4.550 0 40 EJAB Cc1ccc(N2CCCC2)c(C(=O)N[C@H](C)c2ccc(F)c(C)c2)c1 1129351363 ZNERUBJMNFTWTE-MRXNPFEDSA-N 340.442 4.534 0 40 EJAB C[C@@H]1CC(NC(=O)NCc2ccc(Cl)cc2Cl)C[C@@H](C)C1 1681664821 VBMXUKCDMDOADP-QWRGUYRKSA-N 329.271 4.617 0 40 EJAB COc1ccc(OCc2nc3ccccc3n2Cc2ccccc2)cc1 203114 VWWUDTPFMACIAU-UHFFFAOYSA-N 344.414 4.672 0 40 EJAB Cc1nc(NC(=O)c2c(-c3ccccc3Cl)noc2C)sc1C 483728 NVBZHYYAUBAWAM-UHFFFAOYSA-N 347.827 4.629 0 40 EJAB Cc1cccc(OCCOC(=O)Nc2cccc(C(F)(F)F)c2)c1 1751435 NKWBASWARKUDSV-UHFFFAOYSA-N 339.313 4.641 0 40 EJAB O=C(NCCOc1cccc2ccccc12)Nc1ccc(Cl)cc1 2553840 BLABZIYDEAOBFP-UHFFFAOYSA-N 340.810 4.694 0 40 EJAB CCc1ccc(Cl)c(CC)c1NC(=O)Cc1ccccc1OC 3456176 CGQCQTXWHNYXEN-UHFFFAOYSA-N 331.843 4.655 0 40 EJAB Cc1cccc(N2C[C@@H](c3nc4ccccc4n3C(C)C)CC2=O)c1C 4033386 DHFNSUBLNUKUAM-KRWDZBQOSA-N 347.462 4.755 0 40 EJAB Cc1ccc2oc(-c3cc(NC(=O)C(C)(C)C)cc(C)c3O)nc2c1 4988504 RSYWLQRISHQTIZ-UHFFFAOYSA-N 338.407 4.802 0 40 EJAB O=C(Nc1cccc(-c2cc3ccccc3oc2=O)c1)c1cccs1 5241458 HXHORPJXADGFGF-UHFFFAOYSA-N 347.395 4.774 0 40 EJAB O=C(Cc1cccc2ccccc12)N[C@@H]1CCSc2ccccc21 5425376 VXKAVEHLPBHUKH-LJQANCHMSA-N 333.456 4.736 0 40 EJAB Cc1cc(/C=N/c2ccc(F)cc2)c(C)n1-c1ccccc1C(=O)O 6962467 XAVIFLIGYRRFQL-WSDLNYQXSA-N 336.366 4.682 0 40 EJAB O=C(CSCc1ccc(F)cc1)Nc1ccc2ccccc2c1 7146297 FUSABMVMWWWWCT-UHFFFAOYSA-N 325.408 4.851 0 40 EJAB CC(=O)c1c(C)[nH]c(C(=O)CSCc2ccc(Cl)cc2)c1C 7483392 GEFJNMVEWRNWTO-UHFFFAOYSA-N 335.856 4.604 0 40 EJAB CC(C)c1cc(=O)oc2cc(Oc3ncnc4sccc34)ccc12 7984188 ULORNOXJMSSBAR-UHFFFAOYSA-N 338.388 4.713 0 40 EJAB Cc1cccc(Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)c1 8209080 GKVBTSQQQQKQCH-UHFFFAOYSA-N 335.432 4.747 0 40 EJAB O=c1ccc(C(F)(F)F)cn1Cc1ccc(-c2ccccc2)cc1 9607122 UIHXDGHUCLDMFT-UHFFFAOYSA-N 329.321 4.582 0 40 EJAB CCN(c1ccccc1C)S(=O)(=O)c1cccc(Cl)c1Cl 9613718 VWLCEACGRBVTLM-UHFFFAOYSA-N 344.263 4.517 0 40 EJAB Cc1nc(-c2ccc(CNC(=O)c3ccccc3Cl)s2)cs1 10105319 GKLGVZQEYKBJQS-UHFFFAOYSA-N 348.880 4.763 0 40 EJAB Cc1ccc(S[C@H](C)C(=O)NCCCc2cccc(C)c2)cc1 10110641 QEXLNUPQYPSNKT-QGZVFWFLSA-N 327.493 4.533 0 40 EJAB Cc1[nH]c2c(C(=O)Nc3ncc(-c4cccnc4)s3)cccc2c1C 12148403 SOITZRVWKTYYQH-UHFFFAOYSA-N 348.431 4.556 0 40 EJAB O=C1c2ccccc2N[C@H](c2csc(-c3ccccc3)n2)N1C1CC1 12548832 UIZHUKKAQKTDHM-SFHVURJKSA-N 347.443 4.539 0 40 EJAB CSc1ccccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C 12779910 QQVXCWKRDJBXMN-GFCCVEGCSA-N 335.856 4.776 0 40 EJAB CCOc1ccc2nc(Cl)c(CNCc3cccs3)cc2c1 13534804 YZILLIJKFLKJRH-UHFFFAOYSA-N 332.856 4.638 0 40 EJAB C[C@@H](NC(=O)CSc1ccc(F)c(Cl)c1)c1cccs1 32719099 CUVKAMYSEBMGJH-SECBINFHSA-N 329.849 4.510 0 40 EJAB Cc1ccc(-c2cc(C(F)(F)F)nc(N3CCC[C@@H](C)C3)n2)s1 36612838 UWWWSIANGWSHNN-SNVBAGLBSA-N 341.402 4.769 0 40 EJAB COC(=O)c1cc(Nc2ccc(F)c(Cl)c2)c2cc(C)ccc2n1 38486812 SHMLQTMHTQGKIB-UHFFFAOYSA-N 344.773 4.866 0 40 EJAB COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(Cl)o2)cc1 40005358 HBGODBADLOOUSJ-HNNXBMFYSA-N 333.815 4.699 0 40 EJAB COCc1cccc(NC(=O)N[C@H](c2cccs2)C2CCCC2)c1 40104951 LLUKEBFHTSTJID-SFHVURJKSA-N 344.480 4.948 0 40 EJAB CCOC(=O)c1cccc(NC(=O)/C=C/c2cc3ccc(C)cc3o2)c1 67339791 HHGXPMGSMZPGKE-MDZDMXLPSA-N 349.386 4.570 0 40 EJAB C[C@@H](c1ccc(F)cc1)[S@](=O)Cc1csc(-c2ccco2)n1 78602614 GOCMWVXTBJNKPS-SAHAZLINSA-N 335.425 4.552 0 40 EJAB Cc1ccc(CSc2nnc(COc3cccc(C)c3)o2)cc1 78868514 XRCZYVGUPYUZHR-UHFFFAOYSA-N 326.421 4.558 0 40 EJAB CSc1cc(C)ccc1C(=O)Nc1ccccc1CN1CCCC1 95411071 OZKAMDKUZKHYKC-UHFFFAOYSA-N 340.492 4.565 0 40 EJAB CC[C@@H](N[C@H](C)c1ccc(Br)s1)c1ccncc1 95423137 ZGNREPSBZXWIQI-ZYHUDNBSSA-N 325.275 4.708 0 40 EJAB O=C(O)CC1(CC(=O)c2cc(Cl)cc(Cl)c2)CCCCC1 95634172 OQEUCSVWHFUEEA-UHFFFAOYSA-N 329.223 4.991 0 40 EJAB Cc1ccc(OCCn2c(CCC(=O)O)ccc2-c2ccccc2)cc1 107589992 DLQJZBPGQBZUCO-UHFFFAOYSA-N 349.430 4.560 0 40 EJAB CCOc1ccc(C(=O)NCc2cccc3ccccc23)cc1Cl 222894470 ZGOQPZFOBSFNPC-UHFFFAOYSA-N 339.822 4.822 0 40 EJAB Cc1cc(C)cc(O[C@@H](C)C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)c1 223472426 AGVVYDJUVDBMLV-OALUTQOASA-N 339.479 4.873 0 40 EJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H](C)c1ccccc1 225155528 NRGNZZIXUFYKDA-HRAATJIYSA-N 337.463 4.600 0 40 EJAB CCOC(=O)c1ccc(NC(=O)c2cc(C)c(C)cc2C)cc1Cl 225647281 JHYVFUSGGJEVSM-UHFFFAOYSA-N 345.826 4.694 0 40 EJAB COc1cc(C)c(C(=O)N[C@H](C)c2ccc(F)cc2)cc1C(C)C 225663104 RTVQSZDOQYGGSW-CQSZACIVSA-N 329.415 4.757 0 40 EJAB CC(=O)Nc1cccc(NC(=O)c2cc3c(ccc4ccccc43)o2)c1 408603915 GKOXCSNFEQTSNI-UHFFFAOYSA-N 344.370 4.797 0 40 EJAB O=C(Nc1ccc(C(F)(F)F)cc1)N1[C@H]2CC[C@H]1CC(=C1CC1)C2 1775967838 CYSAVYLPEDGWEW-HOTGVXAUSA-N 336.357 4.955 0 40 EJAB O=Cc1ccc(-c2ccc(-c3ccc(C=O)cc3)c3[nH]cnc23)cc1 2049305437 WJZRPFNGSBOFMA-UHFFFAOYSA-N 326.355 4.522 0 40 EJAB O=C(Nc1ccccc1N1CCCC1)c1ccc(Cl)c(Cl)c1 569735 XCAVEDAENSEAGU-UHFFFAOYSA-N 335.234 4.846 0 40 EJAB C[C@H]1CCCCN1C(=O)[C@@H](Sc1ccccc1)c1ccccc1 1469208 MNBMQBGZQJIBGJ-LPHOPBHVSA-N 325.477 4.921 0 40 EJAB CSc1ccc(C2=C/C(=C3/N=C(C)OC3=O)c3ccccc3O2)cc1 2360665 OPHFMJBLQMZNKT-MNDPQUGUSA-N 349.411 4.528 0 40 EJAB O=C(CCc1ccc(Br)cc1)c1cc(F)c(F)c(F)c1 2517208 QYKQGXCTBKERGO-UHFFFAOYSA-N 343.142 4.682 0 40 EJAB CC(C)Cc1csc(NC(=O)c2ccccc2Cl)c1C(=O)O 4825671 UQYREHBUJPNBEK-UHFFFAOYSA-N 337.828 4.551 0 40 EJAB Cc1ccc2nc(SCc3nc(-c4ccccc4C)no3)[nH]c2c1 6292091 ZTTFTJMAQMSJPM-UHFFFAOYSA-N 336.420 4.522 0 40 EJAB O=C(/C=C/c1ccc(F)cc1)Nc1nc(-c2cccs2)cs1 6334913 KZENOBOOWUNUQO-VMPITWQZSA-N 330.409 4.663 0 40 EJAB Cc1ccc(-c2nc(COc3ccc(-c4nnco4)cc3)cs2)cc1 7006337 CNQGDDOAVBYKKB-UHFFFAOYSA-N 349.415 4.748 0 40 EJAB Cc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)c(Cl)c1 7403931 SYYQYNKYAMKVSQ-UHFFFAOYSA-N 331.824 4.602 0 40 EJAB Cc1ccccc1NC(=O)Cc1nc(-c2ccc(Cl)cc2)cs1 7844941 NXGMEKXOHFLOLD-UHFFFAOYSA-N 342.851 4.953 0 40 EJAB C[C@H](NC(=O)c1ccc(-c2ccc(Cl)cc2)s1)c1cccnc1 7987414 NUDSFWPBIBNVMI-LBPRGKRZSA-N 342.851 4.955 0 40 EJAB CC(C)COc1ccc(C(=O)Nc2cc(-c3ccccc3)no2)cc1 8612352 MVWCOLHXYQMGCQ-UHFFFAOYSA-N 336.391 4.629 0 40 EJAB Cc1nc2ccc(OCC(C)C)cc2c(O)c1CN1CCC[C@@H](C)C1 8717969 TUFKCQXQMQYRLP-OAHLLOKOSA-N 342.483 4.516 0 40 EJAB Cc1ccc(C)c2sc(NC(=O)c3ccccc3OC(F)F)nc12 12736262 PXAQSMCYXUZDKZ-UHFFFAOYSA-N 348.374 4.767 0 40 EJAB O=S(=O)(/C=C/c1ccccc1)Oc1ccccc1-c1ccccc1 16090226 JCDCJKFCJQILIL-FOCLMDBBSA-N 336.412 4.733 0 40 EJAB CCCc1sc(NC(=O)c2ccco2)nc1-c1ccc(OC)cc1 18192528 QDBOLENCEHAIEQ-UHFFFAOYSA-N 342.420 4.617 0 40 EJAB Cc1ccsc1-c1nnc(C2CCN(Cc3cccs3)CC2)o1 19238733 XLVBGLUPFISTES-UHFFFAOYSA-N 345.493 4.548 0 40 EJAB Cc1ccc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(C)c2)cc1C 20138783 AGGAEEKQAWCSEG-UHFFFAOYSA-N 335.403 4.616 0 40 EJAB C[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1F 23544181 LSEQSOFTLIGSQQ-MRXNPFEDSA-N 333.406 4.835 0 40 EJAB O=C(C[C@H]1C=CCC1)N[C@H](c1ccccc1)c1cc2ccccc2o1 24709376 FAIYFVMRIUTUHO-KSFYIVLOSA-N 331.415 4.995 0 40 EJAB COc1cccc(NC(=O)N2CCS[C@@H]2c2ccc(Cl)cc2)c1 28232251 DWXSNJLYLOHNKK-MRXNPFEDSA-N 348.855 4.628 0 40 EJAB Cc1ccc(-c2noc(-c3ccccc3NC(=O)C(C)(C)C)n2)cc1 33012664 ZEPBUNQZWZIMDQ-UHFFFAOYSA-N 335.407 4.697 0 40 EJAB C[C@]12CO[C@]3(C(=O)Nc4c(Cl)cccc4Cl)C[C@H]1CC[C@]23C 35982657 MCHMORSMZAVMGJ-SQBBPKDDSA-N 340.250 4.527 0 40 EJAB Cc1ccccc1CSc1nc2ccccc2c(=O)n1CC(C)C 59094227 RYJCNJUGLGBLGD-UHFFFAOYSA-N 338.476 4.653 0 40 EJAB O=c1[nH]c(-c2ccccc2Cl)nc2sc3c(c12)CCCCC3 60478914 BDNVDVZRFDNHDP-UHFFFAOYSA-N 330.840 4.574 0 40 EJAB CC1=C(/C=C\C(C)=C/C=C\C(C)=C/CCC(O)(O)O)C(C)(C)CCC1 95908757 KMPBUGGPUQOWMJ-IFLJOZEWSA-N 346.511 4.929 0 40 EJAB C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(SC(F)F)nnc1-c1ccco1 103941861 GMWJMRKOXMIECE-RHYQMDGZSA-N 339.411 4.850 0 40 EJAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2c1ccn[nH]1 118917745 XUSSDKMAUSOQSK-UMWWKMARSA-N 340.511 4.817 0 40 EJAB O[C@H](c1cccc(Br)c1)c1ccc2c3c(cccc13)CC2 158884970 UJTZLPZPTVLQTG-LJQANCHMSA-N 339.232 4.783 0 40 EJAB C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CSCC1CCCCC1 195737047 ADJMBPSFLKHARS-ZDUSSCGKSA-N 341.467 4.798 0 40 EJAB COc1cc(C)c([C@@H](C)NC(=O)Cc2ccc(F)cc2)cc1C(C)C 223376636 ZPPSJNKGCNYNRZ-OAHLLOKOSA-N 343.442 4.686 0 40 EJAB CCOc1ccc(CCCNC(=S)Nc2ccc(C)c(C)c2)cc1 225621344 IDJZNEPMMIGBCQ-UHFFFAOYSA-N 342.508 4.621 0 40 EJAB CCC(=O)N1CCC[C@H](c2cc(Nc3ccc(C)cc3)cc(C)n2)C1 257246840 IWAREPFVNANSOY-KRWDZBQOSA-N 337.467 4.558 0 40 EJAB CCC(=O)N1CCCC[C@H]1c1cc(-c2ccc(F)cc2)cc(C)n1 257330074 XMRDEJZXFKTWMX-IBGZPJMESA-N 326.415 4.660 0 40 EJAB CCNC(=O)Nc1ccc(-c2nc3ccc(OCC)cc3s2)cc1 503485314 XSHBZWXYYSPGDP-UHFFFAOYSA-N 341.436 4.503 0 40 EJAB NCc1ccc(NC(=O)C2(c3c(Cl)cccc3Cl)CCC2)cc1 518218865 SOJSBQRLZJMLRG-UHFFFAOYSA-N 349.261 4.513 0 40 EJAB Cc1ccc(N(C(=O)Nc2ccccc2)C2=NC[C@H](C)S2)cc1C 77107 BNNGLQLUWQZTBZ-HNNXBMFYSA-N 339.464 4.833 0 40 EJAB Ic1ccc2c(c1)C=Cc1ccccc1S2 347332 OZXIKHLKDRSLAR-UHFFFAOYSA-N 336.197 4.926 0 40 EJAB Cc1ccc(-n2ncc3c(Nc4ccc(Cl)cc4)ncnc32)c(C)c1 426359 ZJXQZQHUPOCAIX-UHFFFAOYSA-N 349.825 4.829 0 40 EJAB C[C@@H](NCCCN(C)C)c1cc(C(C)(C)C)cc2c1CCC2(C)C 2126657 PZEUCIVVVWVHAI-MRXNPFEDSA-N 330.560 4.810 0 40 EJAB biogenic Cc1ccc(NC(=O)Cc2sc(C)nc2-c2ccc(C)cc2)cc1 2626929 AGBNUGMAZLDQCH-UHFFFAOYSA-N 336.460 4.917 0 40 EJAB O=C(CCc1c[nH]c2ccccc12)Nc1ccc(N2CCCCC2)cc1 3300306 UNANKVFWPBBIKS-UHFFFAOYSA-N 347.462 4.730 0 40 EJAB c1cc(-c2cnc3ccccc3n2)cc(-c2cnc3ccccc3n2)c1 3844734 MJPGVVJKVCPMKP-UHFFFAOYSA-N 334.382 4.907 0 40 EJAB biogenic O=C(Nc1nccs1)c1ccc(-c2ccccc2C(F)(F)F)o1 4784141 PWXPQMZXVQXXSF-UHFFFAOYSA-N 338.310 4.674 0 40 EJAB Cc1ccc(CSCCNC(=S)Nc2cc(C)ccc2C)cc1 7369177 IWPQACZACPLSEE-UHFFFAOYSA-N 344.549 4.832 0 40 EJAB Cc1ccc([C@@H](NCc2nnc(-c3ccco3)o2)c2ccccc2)cc1 7541750 LTAHGMYSCRXPJT-FQEVSTJZSA-N 345.402 4.517 0 40 EJAB C[C@H](Sc1ccccc1F)C(=O)N[C@@H]1CCCc2ccccc21 7716057 ITKOPBKEHAWEMB-SUMWQHHRSA-N 329.440 4.500 0 40 EJAB CC(C)COc1ccc(C(=O)N[C@@H]2CCSc3ccccc32)cc1 8315804 JNZIJFRWXYEYPN-GOSISDBHSA-N 341.476 4.688 0 40 EJAB Cc1cc2nc(-c3ccc(CNC(=O)CC(C)C)cc3)oc2cc1C 10120358 ZBMVWVYJWSJOJK-UHFFFAOYSA-N 336.435 4.774 0 40 EJAB CC[C@@H](C)[C@@H](C(=O)Nc1cc(OC)c(OC)cc1C)c1ccccc1 12808879 QMHROLAQNAHCLC-JLTOFOAXSA-N 341.451 4.781 0 40 EJAB O=C(CCSc1ccccc1F)Nc1ccc(OC(F)F)cc1 14673154 RUAQICIEMDHROE-UHFFFAOYSA-N 341.354 4.548 0 40 EJAB O=C(N[C@H]1CCc2ccccc21)C1c2ccccc2Oc2ccccc21 16471685 GCGKSMVAEULQHJ-IBGZPJMESA-N 341.410 4.728 0 40 EJAB CN(C(=O)c1cc(-c2ccncc2)nc2ccccc12)c1ccccc1 16740465 ZXTBFORTEGCRFX-UHFFFAOYSA-N 339.398 4.573 0 40 EJAB O=C(c1ccccc1)[C@H]1C(c2ccccc2)[C@H]1C(=O)c1ccccc1 17045224 PWMYSWOKRDUMGE-SEJPIABJSA-N 326.395 4.782 0 40 EJAB Clc1ccc([C@H]2[C@H]3CCCC[C@H]3[C@@H]2NCc2ccccn2)cc1 19401961 NDXXEALOHDYODB-YRPNKDGESA-N 326.871 4.797 0 40 EJAB Cc1ccccc1O[C@@H](C)C(=O)N[C@@H](CC(C)C)c1ccccc1 20104236 DNKSXOOKSYDNAB-HKUYNNGSSA-N 325.452 4.666 0 40 EJAB Cc1ccccc1NC(=O)c1sc(NC(=O)C(C)(C)C)cc1C 25949776 OSQPTDCOGRLCJS-UHFFFAOYSA-N 330.453 4.602 0 40 EJAB C[C@@H](N[C@H](C)c1ccc2ccccc2c1)C(=O)Nc1ccc(F)cc1 28352279 UQZJTEIEXIRSBI-HUUCEWRRSA-N 336.410 4.657 0 40 EJAB CC(C)c1ccc(C(=O)[C@@H](C)Sc2nnc(N)s2)c(C(C)C)c1 28669147 OZJQFAGULVGLBO-LLVKDONJSA-N 349.525 4.731 0 40 EJAB CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)c1ccc(F)cc1 30848542 WETOUCQQAVXXNA-BLLLJJGKSA-N 335.806 4.514 0 40 EJAB FC(F)(F)c1cc(-c2ccccc2)nc(SCc2cccnc2)n1 36242323 MQNHPVTUIDNXKJ-UHFFFAOYSA-N 347.365 4.850 0 40 EJAB Cc1c(Cl)ccc2sc(NC(=O)c3cc(C)n(C(C)C)n3)nc12 38508001 IKUBGVRRSNYTNS-UHFFFAOYSA-N 348.859 4.596 0 40 EJAB COc1ccc(NC(=O)c2ccc3ccccc3n2)c(C(F)(F)F)c1 40145526 UCXMOWQABJFYBN-UHFFFAOYSA-N 346.308 4.515 0 40 EJAB CCc1cccc(C)c1NC(=O)NC[C@@H](C(C)C)N1CCCCCC1 48303250 KHLFZFLPIOSWST-IBGZPJMESA-N 345.531 4.580 0 40 EJAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N[C@H](C)c1ccc(C)cc1C 59351653 JUDHHRATAAEGFL-NQIIRXRSSA-N 339.479 4.955 0 40 EJAB CC(=O)Nc1ccc(C=C2c3ccccc3C(=O)c3ccccc32)cc1 59402890 ANAHFJQEIVGGLP-UHFFFAOYSA-N 339.394 4.778 0 40 EJAB CCCCCn1c(SCc2ccccc2)nc2ccccc2c1=O 67258986 JYIDOCGZDNIAJC-UHFFFAOYSA-N 338.476 4.879 0 40 EJAB Cc1nnc([C@H](C)N[C@@H](C)c2ccc(Oc3ccccc3)c(F)c2)o1 79029694 YTXZRSFELDYRJF-STQMWFEESA-N 341.386 4.721 0 40 EJAB CC1(C)C[C@H]2C[C@@](C)(CN2c2ncnc3c2[nH]c2ccc(F)cc23)C1 100801902 NCOAPQJQLYUNEA-RNODOKPDSA-N 338.430 4.655 0 40 EJAB CO[C@H](CNC(=O)Nc1ccccc1Cl)c1ccccc1Cl 206855765 OREBIIAELLYCGX-OAHLLOKOSA-N 339.222 4.503 0 40 EJAB Cc1c(N)cccc1C(=O)O[C@@H](C)c1ccc2c3c(cccc13)CC2 216850622 MEQYDJGPLHFVQP-AWEZNQCLSA-N 331.415 4.747 0 40 EJAB Cc1ccc(N2CCC(C(=O)Nc3ccccc3C(C)C)CC2)cc1 219855886 MXVMFUGYCWYPQT-UHFFFAOYSA-N 336.479 4.974 0 40 EJAB CCN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 224685044 QBRUMZRVLZMXAV-UHFFFAOYSA-N 344.263 4.517 0 40 EJAB COc1ccccc1NC(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 225767361 ZSWCTNMJIBVKCR-CQSZACIVSA-N 326.440 4.875 0 40 EJAB CC(C)Oc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cn1 225931294 RTMSIYFNVLYWFI-UHFFFAOYSA-N 338.451 4.709 0 40 EJAB Cc1cc2ccccc2nc1SCC(=O)N1CCCc2ccccc21 416349 BYKBQDMDEPQCCC-UHFFFAOYSA-N 348.471 4.615 0 40 EJAB COc1cnc(-c2ccccc2)nc1Oc1ccc(Cl)cc1C 1383988 ZJGBXIUOGSVXEJ-UHFFFAOYSA-N 326.783 4.906 0 40 EJAB CCOc1ccc(C(=O)Nc2nc3c(C)cc(C)cc3s2)cc1 1516440 PKTWKLAGDIQNFZ-UHFFFAOYSA-N 326.421 4.564 0 40 EJAB O=C(O)c1cccc(NC(=O)c2sc3cc(F)ccc3c2Cl)c1 2760822 NRGMJHNCTQCDTC-UHFFFAOYSA-N 349.770 4.644 0 40 EJAB O=Cc1sc(N2CCOCC2)c(-c2ccccc2)c1-c1ccccc1 3200102 MXVPCLBVTVNHHL-UHFFFAOYSA-N 349.455 4.731 0 40 EJAB Cc1ccc(COC(=O)c2ccc(C(=O)c3ccccc3)cc2)cc1 3488999 OOAVIMPCPMAGIJ-UHFFFAOYSA-N 330.383 4.583 0 40 EJAB CC(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 4024149 JYYRDDFNMDZIIP-GRFWAMACSA-N 328.496 4.970 0 40 EJAB biogenic C[C@@H]1CCc2nc(NC(=O)c3cc(Cl)sc3Cl)sc2C1 4173443 GXJVAXUYFFUNOC-ZCFIWIBFSA-N 347.292 4.889 0 40 EJAB Cn1c(C(=O)Nc2cc(Cl)cc(Cl)c2)cc2sccc21 4971131 FWMWNUJDITUDQS-UHFFFAOYSA-N 325.220 4.799 0 40 EJAB COc1ccc(-c2nc(Nc3cccc(OC)c3)sc2C)cc1 5739578 KPDKICAJWOGQGL-UHFFFAOYSA-N 326.421 4.879 0 40 EJAB COc1cccc(-c2cc(C(=O)NCCC(C)C)c3ccccc3n2)c1 5907559 RRMRDKUMIGUBCP-UHFFFAOYSA-N 348.446 4.686 0 40 EJAB O=C(COc1cccc(Cl)c1)Nc1cc(Cl)ccc1Cl 6051348 PROROODOJDGIBP-UHFFFAOYSA-N 330.598 4.664 0 40 EJAB CCCn1c(NC(=O)c2cccc(C(F)(F)F)c2)nc2ccccc21 6516444 UHVPOVLLCYZNAV-UHFFFAOYSA-N 347.340 4.717 0 40 EJAB CC(C)CNCc1cc(Br)ccc1OCc1ccccc1 6883561 QSKQPXMTLLWKEY-UHFFFAOYSA-N 348.284 4.774 0 40 EJAB COc1cccc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)O)c1 6897878 IVZHQAVYWKSRKO-NTCAYCPXSA-N 345.398 4.819 0 40 EJAB Fc1ccc(NC(=S)NCCCOC2CCCCC2)cc1Cl 7011117 WBAFZEUGHKTAGJ-UHFFFAOYSA-N 344.883 4.505 0 40 EJAB Cc1nc2ccccc2c(C)c1CC(=O)Nc1ccc(Cl)cc1F 7952145 WZVOBSXWOHGAHL-UHFFFAOYSA-N 342.801 4.825 0 40 EJAB Cc1ccsc1C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 8280165 XTNOHADRTQXXJZ-UHFFFAOYSA-N 339.445 4.685 0 40 EJAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1cccc2ccccc12 8477798 NJPGQAIXPLURFP-SFHVURJKSA-N 335.403 4.645 0 40 EJAB CCOC(=O)c1c(NC(=O)CC2CCCCC2)sc2c1CCCC2 9948835 DWXMYKNAGCHEJZ-UHFFFAOYSA-N 349.496 4.713 0 40 EJAB Cc1ccc(NC(=O)c2ccc(CN3CCCCC3)cc2)cc1Cl 10334671 UZYWTYBNCSOGGQ-UHFFFAOYSA-N 342.870 4.887 0 40 EJAB O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(CN2CCCC2)cc1 10337887 FIVBMSSKSQDYLA-UHFFFAOYSA-N 348.368 4.554 0 40 EJAB CC(C)(C)C(=O)N1CCCCC[C@H]1c1cc(-c2cccs2)on1 12185399 LQNPAGAQAAJGKW-AWEZNQCLSA-N 332.469 4.893 0 40 EJAB C[C@H]1CC2=C(C[C@@H]1[C@@H]1OC[C@@H](CN3CCCCC3)O1)C(C)(C)CCC2 12556110 GWNYATQURCVOGA-GZMOKQHVSA-N 347.543 4.767 0 40 EJAB CC(C)c1ccc(CN(C)CC(=O)Nc2cccc(Cl)c2)cc1 13097177 YENBSEJFQMSPJL-UHFFFAOYSA-N 330.859 4.534 0 40 EJAB Cc1nc2cc(NC(=O)Cc3coc4cc5c(cc34)CCC5)ccc2o1 15575116 CMPCTOJFQSPHKJ-UHFFFAOYSA-N 346.386 4.552 0 40 EJAB Cc1csc([C@H](Cc2ccsc2)NCc2ccc(F)cc2)n1 19240228 NWYPATMIRKSNMQ-INIZCTEOSA-N 332.469 4.726 0 40 EJAB Cc1cccc(C)c1Nc1ncccc1C(=O)Nc1ccccc1F 22072867 CRJYALGSEWFNSM-UHFFFAOYSA-N 335.382 4.833 0 40 EJAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccc(C)c(C)c1)c1ccccc1 22513171 VKEBEGDJQWJNNA-VQTJNVASSA-N 325.452 4.728 0 40 EJAB COc1ccccc1CN(C)C(=O)CCc1ccc(C(C)(C)C)cc1 22529674 MLQFLPDLWTZQHX-UHFFFAOYSA-N 339.479 4.584 0 40 EJAB COc1ccc(F)cc1C(=O)N(c1ccccc1)c1nc(C)cs1 23441146 NYHNOVWRVOEJOD-UHFFFAOYSA-N 342.395 4.578 0 40 EJAB CCN(c1ccccc1)c1ncnc2c1cnn2-c1cc(C)ccc1C 28405976 JWDWQHHTCKKRIR-UHFFFAOYSA-N 343.434 4.590 0 40 EJAB Cn1cccc1[C@H]1CCCCCN1C(=O)c1cc(Cl)ccc1F 36393633 RSYXGYQOPHTBRH-QGZVFWFLSA-N 334.822 4.575 0 40 EJAB O=C(CCc1cccc(OC2CCCC2)c1)NC1CCCCCC1 58406901 PIEDNNIJSRLOGI-UHFFFAOYSA-N 329.484 4.780 0 40 EJAB Cc1oc(C)c(C(=O)NCc2ccccc2Oc2ccccc2)c1C 63250228 VOUAGAYKOXPGJE-UHFFFAOYSA-N 335.403 4.927 0 40 EJAB CCO[P@](=O)(O)[C@@H](Nc1ccc(C)cc1)c1ccc(Cl)cc1 65090434 ORKNIACHLIVGCH-MRXNPFEDSA-N 339.759 4.981 0 40 EJAB Cc1cc(SC(C)(C)C)ccc1NC(=O)N(C)Cc1ccccn1 78394994 MOJFNUMGWCKUPJ-UHFFFAOYSA-N 343.496 4.945 0 40 EJAB Cc1nnc(-c2ccccc2NC(=O)[C@H](C)c2cc3ccccc3o2)o1 96451933 SLFXOQXGZRHPGB-GFCCVEGCSA-N 347.374 4.533 0 40 EJAB O=C(/C=C/c1cccs1)N1CCS[C@H](c2cccs2)CC1 219468643 CSDHWMXTNXQXSB-NFAHFFEMSA-N 335.519 4.530 0 40 EJAB CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1cccc(OC(C)C)c1 222959355 ZVXRWRBRWDJPGZ-IBGZPJMESA-N 341.451 4.887 0 40 EJAB CC(C)OC(=O)c1cc(N)ccc1Nc1cccc(C(F)(F)F)c1 225477089 NLGCXHLJIWMFHR-UHFFFAOYSA-N 338.329 4.596 0 40 EJAB CC[C@@H](CNC(=S)Nc1ccccc1Cl)Cc1ccccc1 225629641 YMJDHIDSKRHPLN-CQSZACIVSA-N 332.900 4.895 0 40 EJAB O=C(N[C@H](c1ccsc1)c1cccs1)c1c(F)cccc1F 390826397 JVOQNCMGDMBZTB-OAHLLOKOSA-N 335.400 4.607 0 40 EJAB Cc1cc(/C=C2\SC(=O)N(C(C)C)C2=O)c(C)n1C1CCCC1 409135869 SQBILDKNGCGAFX-YBEGLDIGSA-N 332.469 4.665 0 40 EJAB CCc1c(-c2ccccc2)[nH]c2cccc(Br)c2c1=O 685938362 JQOGYKWFMJKNCA-UHFFFAOYSA-N 328.209 4.520 0 40 EJAB COc1ccc(F)c(CN[C@@H](C)Cc2cccc(C(F)(F)F)c2)c1 1560941479 QAPBWKXIBLNRKR-LBPRGKRZSA-N 341.348 4.574 0 40 EJAB COc1cnc(SCc2ccc(Cl)cc2Cl)nc1Cl 1388672 JOJHZHHIFKJCTJ-UHFFFAOYSA-N 335.643 4.738 0 40 EJAB Cc1ccc(-n2ncc3c(SCc4ccccc4C)ncnc32)cc1 2444744 CBXWZEJYIGMYDV-UHFFFAOYSA-N 346.459 4.725 0 40 EJAB c1ccc(Nc2nc(-c3ccccc3)[n+](-c3ccccc3)s2)cc1 2666125 MWKGMZRDURKJEZ-UHFFFAOYSA-O 330.436 4.830 0 40 EJAB O=C(Nc1ccccc1)Nc1nc(-c2ccc(F)cc2F)cs1 2764406 RNPDCXLFGGCUPK-UHFFFAOYSA-N 331.347 4.732 0 40 EJAB CCCCCOc1cccc(C(=O)Nc2ncnc3sccc23)c1 5299441 MOPPMRCXUKQFNS-UHFFFAOYSA-N 341.436 4.513 0 40 EJAB CCCCc1c(-c2ccc(CC)cc2)[nH]c(-c2ccccc2O)[n+]1[O-] 5421402 IOYHXPIGHZEGNL-UHFFFAOYSA-N 336.435 4.593 0 40 EJAB Cc1cc(C)c(NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)c(C)c1 5779278 SDNJSNOQOPPJFK-OAHLLOKOSA-N 331.843 4.980 0 40 EJAB CCCCOc1cc2c(cc1[C@@H](C)c1ccc(OC)cc1)OCO2 5784087 JBMGQVNJDACHQF-AWEZNQCLSA-N 328.408 4.755 0 40 EJAB O=c1[nH]n(-c2ccc(Cl)c(Cl)c2)cc1-c1cccc(Cl)c1 5944293 VOKWTPLQJYKLOS-UHFFFAOYSA-N 339.609 4.793 0 40 EJAB CCc1ccc(C2=Nc3ccc(F)cc3C(c3cccs3)=NN2)cc1 6821904 CKYLBVMQKIJOSV-UHFFFAOYSA-N 349.434 4.884 0 40 EJAB CCNCc1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 8227232 UBZXAARGQFZNPF-UHFFFAOYSA-N 340.250 4.691 0 40 EJAB O=C(CN1CCC[C@@H]1c1cccs1)C12CC3CC(CC(C3)C1)C2 9377407 AKMXKIOBBUSCTE-VQBCORBOSA-N 329.509 4.671 0 40 EJAB Cc1ccc([C@H](NC(=O)c2ccccc2Br)C2CC2)cc1 11233885 GDZQKDLYZDNCPB-KRWDZBQOSA-N 344.252 4.639 0 40 EJAB Cc1ccc(C(=O)CSc2nnc(-c3c[nH]c4ccccc34)o2)cc1 13123803 SQIZSZKUXJQDPK-UHFFFAOYSA-N 349.415 4.501 0 40 EJAB aggregator COc1ccc(CNCc2cc3cc(C)c(C)cc3nc2Cl)cc1 13535423 UIPJVMKBWUGQDE-UHFFFAOYSA-N 340.854 4.803 0 40 EJAB O=C(CCC(=O)c1ccc(Cl)s1)Nc1cccc2cccnc12 14125114 LIINVTHAKDNNRI-UHFFFAOYSA-N 344.823 4.551 0 40 EJAB O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)N1CCCC1 14182807 RLVMSMULNLJNNT-UHFFFAOYSA-N 336.410 4.529 0 40 EJAB COc1ccc(CNC(=O)CCCSc2ccc(Cl)cc2)cc1 15014042 PNAFLMVSQBYTRQ-UHFFFAOYSA-N 349.883 4.537 0 40 EJAB C[C@H](Sc1ncnc2ccsc12)C(=O)c1ccc(Cl)cc1 22005095 GHEBECGWWHLLFO-VIFPVBQESA-N 334.853 4.708 0 40 EJAB C[C@]1(C(=O)Nc2ccccc2N2CCCCCC2)CC1(Cl)Cl 22900373 UOXDFUMQYVDLPV-MRXNPFEDSA-N 341.282 4.589 0 40 EJAB CN(Cc1ccsc1)C(=O)/C=C/c1ccc(-c2ccccc2F)o1 24384842 KAUILVHONLHSOK-VQHVLOKHSA-N 341.407 4.819 0 40 EJAB CC(C)c1nnc(NC(=O)c2ccccc2Nc2ccccc2)s1 24778877 LOVDWPRZBMQKSF-UHFFFAOYSA-N 338.436 4.657 0 40 EJAB Cc1cccc(-n2ncc(C(=O)Nc3ccc4ccccc4c3)c2C)c1 24864458 HQWQXCDQNCKWSB-UHFFFAOYSA-N 341.414 4.895 0 40 EJAB CC(C)(C)N1C(=O)/C(=C\c2c(Cl)cccc2Cl)SC1=S 35040565 LHTAQPUGZZMZIP-YRNVUSSQSA-N 346.304 4.993 0 40 EJAB Cc1cc(Br)ccc1NC(=O)N(C)C1CCCCC1 40103646 LRBVBEVGUREJFQ-UHFFFAOYSA-N 325.250 4.554 0 40 EJAB Cc1ccccc1[C@@H]1CCCN1C(=O)Nc1cccc2cnccc12 48051207 BXXJPWFGUBKJKJ-FQEVSTJZSA-N 331.419 4.912 0 40 EJAB O=S(=O)(CCc1ccccc1Cl)Cc1cccc2ccccc12 58175664 YFFTVUUTXXSLMI-UHFFFAOYSA-N 344.863 4.651 0 40 EJAB CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)/C=C/c1cccs1 58925006 SJFVMQPDMBEDSD-UBJZUDALSA-N 325.477 4.946 0 40 EJAB CC(C)(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(Cl)cn1 59294360 JBBIBKXRJVQWJY-UHFFFAOYSA-N 346.858 4.829 0 40 EJAB Fc1cccc(Cc2cccc([C@H]3CCCN3Cc3ccncc3)n2)c1 72357670 QSVDZCPLUKSPIP-JOCHJYFZSA-N 347.437 4.544 0 40 EJAB Cc1cc(C)c(/C=C/C(=O)NCc2ncc(-c3ccccc3)o2)cc1C 84077031 CQSCFABQHUEAPP-MDZDMXLPSA-N 346.430 4.596 0 40 EJAB O=C1CCCCN1c1cccc(CNCc2cccc3ccccc23)c1 89873236 UQAAOMHOMYQRDP-UHFFFAOYSA-N 344.458 4.647 0 40 EJAB COc1ccccc1O[P@](C)(=O)Nc1cccc(Cl)c1C 100713761 WDPZKZWHROSRRX-NRFANRHFSA-N 325.732 4.971 0 40 EJAB CC[C@H](Oc1ccccc1F)C(=O)N[C@H](CC)c1ccc(C)cc1 113960153 FTKRKYNYDXTSAG-MSOLQXFVSA-N 329.415 4.559 0 40 EJAB Cc1nc(-c2ccccc2NC(=O)NCc2cccs2)cs1 206909638 KLTXOILYIAEATJ-UHFFFAOYSA-N 329.450 4.502 0 40 EJAB CCc1ccccc1O[C@H](C)C(=O)N[C@@H](CC)c1ccc(C)cc1C 219295882 KDHWAMPUQSTENV-XLIONFOSSA-N 339.479 4.901 0 40 EJAB CCCCN(CCCC)C(=O)c1ccc2c(c1)nc(Cl)n2CC 222545274 OYBXQTKTRSVWKX-UHFFFAOYSA-N 335.879 4.752 0 40 EJAB CC[C@@H](NC(=O)Cc1ccc(C)cc1C)c1ccc2c(c1)CCCC2 223132946 MARHNVIQLWHRPI-JOCHJYFZSA-N 335.491 4.992 0 40 EJAB CCCCOCc1cc(C(=O)Nc2cccc(C)c2)ccc1OC 224435160 GJHLGJYUVQLHFA-UHFFFAOYSA-N 327.424 4.573 0 40 EJAB Cc1cc(C)c(C)c(O[C@@H](Cc2cccc3ccccc23)C(=O)O)c1 225049088 ZPLZUHSKZWNXDA-NRFANRHFSA-N 334.415 4.840 0 40 EJAB CCCC[C@](C)(OCC)C(=O)Nc1ccc(OC)c(C(F)(F)F)c1 225824292 TZVGCGSNTXFNAQ-INIZCTEOSA-N 347.377 4.638 0 40 EJAB Cc1cccc2sc(NC(=O)c3ccc(C(F)(F)F)cc3)nc12 363774 SLAGRVDSIKKPOK-UHFFFAOYSA-N 336.338 4.876 0 40 EJAB CCCc1cc2c(cc1NC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C)OCO2 1670457 QPHJVFKCXRFWFY-KSSFIOAISA-N 329.440 4.545 0 40 EJAB in-vitro O=C(CCc1ccc(Br)cc1)c1cc(F)cc(F)c1 2517207 GNCIFAWSDMWMSK-UHFFFAOYSA-N 325.152 4.543 0 40 EJAB CCCSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccc(C)cc1 2720681 VLKUCTITFWHEOH-UHFFFAOYSA-N 349.459 4.678 0 40 EJAB O=C(CSc1ccc(Cl)cc1)N[C@@H]1CCCc2ccccc21 3221387 MUMSXEXPJNHOAJ-QGZVFWFLSA-N 331.868 4.626 0 40 EJAB Cc1sc2ncnc(N[C@H](C)c3ccc(-n4ccnc4)cc3)c2c1C 3456284 CUXUBZXFIYTVHM-CYBMUJFWSA-N 349.463 4.667 0 40 EJAB Cc1cc(C)c2nc(Cl)c(CNCc3ccc(F)cc3)cc2c1 5007987 SYDSUARNQPXOFB-UHFFFAOYSA-N 328.818 4.934 0 40 EJAB CC(C)Sc1nc(Cl)c2c3c(sc2n1)COC(C)(C)C3 5501368 VNQJUBPHLAOTRL-UHFFFAOYSA-N 328.890 4.697 0 40 EJAB O=C1c2ccccc2CC[C@@]12N=NC[C@@H]2c1cccc2ccccc12 6252900 PMTPINJVWYIZMT-IRLDBZIGSA-N 326.399 4.957 0 40 EJAB CC(C)Oc1ccc([C@@H](CCNCc2cccnc2)C(C)C)cc1 6719181 ZPTWQTPISARIRR-NRFANRHFSA-N 326.484 4.788 0 40 EJAB O=C(NC(c1ccccc1)c1ccccc1)c1ccc(F)cc1Cl 7308525 WZNLUTTXNOVRLB-UHFFFAOYSA-N 339.797 4.999 0 40 EJAB Cc1ccc(C(=O)N(Cc2ccc(Cl)cc2)c2ccccn2)cc1 9251774 UHPAYWNUOAXTKS-UHFFFAOYSA-N 336.822 4.890 0 40 EJAB COc1ccc2cc(CNC(=O)N[C@H](C)c3ccccc3C)ccc2c1 10279545 IXHLJBWRHQQZIL-MRXNPFEDSA-N 348.446 4.717 0 40 EJAB CCOc1ccc2oc(C)c(C(=O)Nc3ccccc3OCC)c2c1 11866457 XYDDKZMWHWKFHY-UHFFFAOYSA-N 339.391 4.791 0 40 EJAB biogenic O=C1C[C@H](c2cccc(OCCc3ccccc3)c2)c2sccc2N1 12376337 SKPRUVGZUXSXNF-GOSISDBHSA-N 349.455 4.844 0 40 EJAB Cc1ccccc1CNC(=O)c1ccccc1CCc1ccccc1 13688259 NTRDHGNXLLWISB-UHFFFAOYSA-N 329.443 4.710 0 40 EJAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCC1(c2ccccc2)CC1 14252628 IZYGOIJAVBFYHC-CQSZACIVSA-N 345.895 4.669 0 40 EJAB Cc1cc(O[C@@H](C)C(=O)Nc2ccc(F)cc2F)cc(C)c1Cl 14401103 DQYJYHMQYZNFOI-NSHDSACASA-N 339.769 4.641 0 40 EJAB Cc1ccc([C@@H]2CC(=O)c3cnc(Nc4ccc(F)cc4)nc3C2)cc1 17208681 GZFLAJVVQVKXJA-HNNXBMFYSA-N 347.393 4.580 0 40 EJAB O=C(Nc1cccnc1Cl)c1ccc(-c2cccc(Cl)c2)o1 21595925 HJRIYYZLBOZDKE-UHFFFAOYSA-N 333.174 4.901 0 40 EJAB Cc1cc(C(=O)Nc2ccccc2Oc2ccccc2Cl)no1 30061004 GBGQTGUFBFUSFD-UHFFFAOYSA-N 328.755 4.681 0 40 EJAB COc1ccc2oc(Nc3nc4c(Cl)cccc4s3)nc2c1 57352907 GZKYXPGJTOBRLH-UHFFFAOYSA-N 331.784 4.843 0 40 EJAB O=[S@](Cc1cccc(Cl)c1)Cc1coc(-c2cccs2)n1 69808194 ZEUPJBJIMLXNBN-NRFANRHFSA-N 337.853 4.505 0 40 EJAB CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCCCN1)C1CCCC1 72215635 DOPSODROKTXFPQ-QGZVFWFLSA-N 345.487 4.580 0 40 EJAB Cc1ccc(Cc2cccc([C@@H]3CCCN3Cc3ccncc3)n2)cc1 72357663 ZGTMWPAFCHLTNS-QHCPKHFHSA-N 343.474 4.713 0 40 EJAB C[C@H]1C[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1[C@@H](C)N 118930500 XIWYUYGZLTUXIP-RIADUWDLSA-N 331.544 4.520 0 40 EJAB C[C@@H](Nc1ccc2c(c1)COC2)c1nc(-c2ccc(Cl)cc2)no1 152773130 ZIHMVFHZQROSNP-LLVKDONJSA-N 341.798 4.593 0 40 EJAB CCOC(=O)c1ccc(NC(=O)c2cc3ccccc3o2)cc1Cl 219947515 WYJYMWWXNXPVMQ-UHFFFAOYSA-N 343.766 4.515 0 40 EJAB O=C(CCc1ccc(F)cc1F)N1CCC[C@@H]1CCC1CCCC1 622448043 YMVUIULJFWMLCW-GOSISDBHSA-N 335.438 4.859 0 40 EJAB CC1(C)[C@H](c2ccccc2)CCN1C(=O)Nc1ccc(Cl)cn1 1562649931 YGNMALZWVZRMAI-HNNXBMFYSA-N 329.831 4.535 0 40 EJAB Cc1ccccc1NC(=O)CCC(=O)OC1CCC(C(C)(C)C)CC1 60928 CPCAVNVVWOHDKW-UHFFFAOYSA-N 345.483 4.862 0 40 EJAB O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1cccc(F)c1 180502 NYEIQZRMGZIRRF-UHFFFAOYSA-N 331.350 4.621 0 40 EJAB CCOC(=O)c1c(C)n(-c2ccccc2C)c2ccc(OCC)cc12 348586 AAHGSGPRRGKPBB-UHFFFAOYSA-N 337.419 4.823 0 40 EJAB CCN1c2ccccc2-c2nc3ccccc3n2[C@@H]1c1ccc(C)o1 541189 UBOQBAVCWNNPSY-OAQYLSRUSA-N 329.403 4.992 0 40 EJAB COc1ccc(Cn2c(-c3ccc(Cl)nc3)nc3ccccc32)cc1 1383351 BWOXNKLOXSNRQF-UHFFFAOYSA-N 349.821 4.809 0 40 EJAB O=C(Nc1ccccc1C(=O)Cc1ccccc1)c1cccc(F)c1 1425358 OIANSOGDHGKOAL-UHFFFAOYSA-N 333.362 4.503 0 40 EJAB CC(C)c1ccc(Nc2c(-c3ccc(O)cc3)nc3ncccn23)cc1 4903673 ZQFWTBJCZZHHAV-UHFFFAOYSA-N 344.418 4.969 0 40 EJAB O[C@]12c3ccccc3[C@@]1(c1ccc(Cl)cc1)c1ccc(Cl)cc12 5699181 NUAOHEWMGXLJDG-PMACEKPBSA-N 339.221 4.891 0 40 EJAB O=C(Nc1ccc(Cl)c(Cl)c1)N(Cc1ccccn1)C1CC1 6045908 GZPHZJJCLNOBHP-UHFFFAOYSA-N 336.222 4.585 0 40 EJAB COc1ccccc1-c1nnc(SCc2ccccc2Cl)o1 6259640 HDXFBDOKUPTLMB-UHFFFAOYSA-N 332.812 4.691 0 40 EJAB CC(C)[C@@H](NC(=O)c1cccc(C(F)(F)F)c1)c1cccs1 7924983 ZDINVZLRYUTOMF-CQSZACIVSA-N 327.371 4.894 0 40 EJAB Cc1ccc(C(=O)CN(C2=NCCCC2)c2ccc(Cl)cc2)cc1 8411387 LBAFVVYHNQOSIL-UHFFFAOYSA-N 340.854 4.920 0 40 EJAB Cc1cc(Br)ccc1NC(=O)Nc1ccc(F)cc1F 9376042 NVCTUOCNABUCAC-UHFFFAOYSA-N 341.155 4.680 0 40 EJAB O=C(Cc1ccccc1Cl)Nc1ccc(N2CCCCCC2)cc1 12575809 ZVKDJLBNWFRMGA-UHFFFAOYSA-N 342.870 4.902 0 40 EJAB CC[C@H](C)[C@@H](C(=O)Nc1cc(OC)c(OC)cc1C)c1ccccc1 12808891 QMHROLAQNAHCLC-VBKZILBWSA-N 341.451 4.781 0 40 EJAB C[C@@H](NC(=O)Cc1ccc2ccccc2c1)c1ccc(F)c(F)c1 12923962 NYIUJHBMYLRYNF-CYBMUJFWSA-N 325.358 4.538 0 40 EJAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ccc(Cl)cn1 13736352 BHEXUHSNJXCJEH-UHFFFAOYSA-N 347.802 4.558 0 40 EJAB C[C@H](OC(=O)c1ccc2ccccc2c1)C(=O)c1cccc(Cl)c1 14681765 LTVRSXLHFMOKQA-ZDUSSCGKSA-N 338.790 4.921 0 40 EJAB Oc1ccccc1-c1nc2c(c(=S)[nH]1)Cc1cc(Cl)ccc1O2 20380355 KNWBFOVKZQBROQ-UHFFFAOYSA-N 342.807 4.862 0 40 EJAB O=C(NCc1ccco1)c1ccccc1SCc1cccs1 21897218 TXSZDMTWOBVXKG-UHFFFAOYSA-N 329.446 4.563 0 40 EJAB COc1cccc(NC(=O)N2CCS[C@@H]2c2ccccc2Cl)c1 28232340 UDCZHJZKOPWMLH-MRXNPFEDSA-N 348.855 4.628 0 40 EJAB CCOc1ccc([C@@H](C)NC(=O)CCSCc2ccccc2)cc1 30849739 RLGWGGRMORVPKM-MRXNPFEDSA-N 343.492 4.586 0 40 EJAB O=C(Nc1nc(-c2cccs2)cs1)[C@@H]1Cc2ccccc2S1 32878864 ARDADRGMJIXEIA-AWEZNQCLSA-N 344.486 4.527 0 40 EJAB Cc1ccc(F)c(NC(=O)c2ccc(-c3nc(C)cs3)cc2)c1 62580998 QTRFIYGLYVCFLP-UHFFFAOYSA-N 326.396 4.818 0 40 EJAB Cc1cccc(C[S@](=O)Cc2coc(-c3ccccc3Cl)n2)c1 64841230 HCPCRCVSUQEXNL-HSZRJFAPSA-N 345.851 4.752 0 40 EJAB O=C(Nc1ccc(Oc2ccncc2)cc1)c1ccc2ccccc2n1 65024065 XVONNJZOVISTSV-UHFFFAOYSA-N 341.370 4.674 0 40 EJAB Cc1cc(C)c2oc(C(=O)Nc3cc(Cl)ccc3C)cc(=O)c2c1 72238587 XNRIUADSIGNNIN-UHFFFAOYSA-N 341.794 4.624 0 40 EJAB CCOP(=O)(OCC)[C@]1(O)[C@@H]2CCC[C@@H]1[C@@H](C)C1=C2CCCC1 103554969 GVPXFXTZGMNTTH-LIRZEXBASA-N 342.416 4.878 0 40 EJAB Cc1ccc([C@H](C)NC(=O)CSCc2cc(C)cc(C)c2)cc1 216372330 BFXXHUYLNRDZRU-KRWDZBQOSA-N 327.493 4.722 0 40 EJAB CC[C@@H](NC(=O)[C@H](C)Oc1cccc(C)c1C)c1ccc(C)c(C)c1 219310728 NVTKHWSUFFBXQA-AZUAARDMSA-N 339.479 4.955 0 40 EJAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc2ccccc2c1 222780797 WNKZUBDNCDCJLV-CQSZACIVSA-N 339.822 4.577 0 40 EJAB CCc1ccc(O[C@H](CC)C(=O)Nc2c(C)cccc2CC)cc1 222883811 LYDGXYBCIYSMFN-LJQANCHMSA-N 325.452 4.916 0 40 EJAB COc1cc(C)c([C@@H](C)NC(=O)Cc2cccs2)cc1C(C)C 223385099 UCSUIAJTUZCWRC-CQSZACIVSA-N 331.481 4.608 0 40 EJAB Cc1ccc(SCCNC(=O)C2(c3ccccc3)CCCC2)cc1 225470683 REMGYDONDQDWNV-UHFFFAOYSA-N 339.504 4.715 0 40 EJAB COc1ccc2c(c1)CCC[C@@H]2NC(=S)Nc1cc(C)cc(C)c1 225702204 XLSAXTMAGAIZPF-IBGZPJMESA-N 340.492 4.676 0 40 EJAB CCCC[C@](C)(OC)C(=O)Nc1ccc(OCC)c(C(F)(F)F)c1 225799366 BKRPXZNEIHHGRA-INIZCTEOSA-N 347.377 4.638 0 40 EJAB COc1ccc2nc(-c3ccc(N)cc3)nc(-c3ccccc3)c2c1 341388 OINLSOJOMJIHIG-UHFFFAOYSA-N 327.387 4.555 0 40 EJAB O=C(O)CS[C@H]1Cc2cc(Cl)ccc2Sc2ccccc21 346596 KJHPPRXFYCSKDF-HNNXBMFYSA-N 336.865 4.906 0 40 EJAB CC(C)c1ccc(/C=C/C(=O)Nc2ccc3oc(=O)ccc3c2)cc1 539617 YDGKYFFSVGOLEU-VZUCSPMQSA-N 333.387 4.568 0 40 EJAB O[C@@]12c3ccccc3[C@@H]1CCCCCCCCCC21OCCCO1 1634686 KVLBPWUWERSWBG-GHTZIAJQSA-N 330.468 4.629 0 40 EJAB CCCCNCC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 3128467 MNENUMVAFKDMEM-UHFFFAOYSA-N 338.278 4.619 0 40 EJAB CCCCC(=O)Nc1c(C(=O)Nc2ccccc2)oc2ccccc12 4148152 HTDYSRSBCFOAQO-UHFFFAOYSA-N 336.391 4.814 0 40 EJAB O=C(Nc1nc2c(Br)cccc2s1)C1CCCCC1 4348435 MWCGDPJQPRULMF-UHFFFAOYSA-N 339.258 4.578 0 40 EJAB O=C(OCc1csc(-c2ccccc2)n1)c1c(F)cccc1Cl 5109585 YCMCWPYAICPLFI-UHFFFAOYSA-N 347.798 4.960 0 40 EJAB CC(C)N[P@@](=O)(O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)c1ccccc1 5165363 ADULCGJWFWMRGU-UYCVCSCRSA-N 337.444 4.980 0 40 EJAB biogenic COC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccccc2Cl)n1 5910206 WJGKCSBYCDDNKL-UHFFFAOYSA-N 336.778 4.823 0 40 EJAB biogenic CC(C)c1ccc(C[C@@H]2SC(=O)N(Cc3ccccc3)C2=O)cc1 6346538 QHGLWOCIJHDKSW-SFHVURJKSA-N 339.460 4.617 0 40 EJAB C[C@H](Sc1ncc(-c2ccccc2)n1C)C(=O)c1ccc(F)cc1 7130374 SGWFNSMYGXRECN-ZDUSSCGKSA-N 340.423 4.590 0 40 EJAB C[C@H](N[C@H](C)C(=O)c1c[nH]c2ccccc12)c1ccc(Cl)cc1 7538563 QUXMBCQIXLQECP-QWHCGFSZSA-N 326.827 4.743 0 40 EJAB O=C(/C=C/c1ccc2ccccc2n1)N[C@@H]1CCSc2ccccc21 7735198 FRIRUXAMFNAWGV-TZZQJPOUSA-N 346.455 4.601 0 40 EJAB CCc1cc2c(SCCOc3ccccc3F)ncnc2s1 7980878 CTTFJJULEMKMSR-UHFFFAOYSA-N 334.441 4.564 0 40 EJAB O=C(Nc1nc2ccc(Cl)cc2s1)c1cccc2cccnc12 7988800 POEQKZUKRXCJQY-UHFFFAOYSA-N 339.807 4.750 0 40 EJAB Cc1nc(CSCCC(=O)Nc2ccc(C(C)C)cc2)cs1 9065695 GYHBUSFLOQHNLY-UHFFFAOYSA-N 334.510 4.837 0 40 EJAB C[C@H](Nc1ccc2oc3ccccc3c2c1)C(=O)N1CCCCCC1 9367562 NPZNWHHLALRYIT-HNNXBMFYSA-N 336.435 4.789 0 40 EJAB Cc1cc(C)cc(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)c1 9996095 SXQMCBLHDJWQKQ-KRWDZBQOSA-N 336.460 4.890 0 40 EJAB Cc1cccc(NS(=O)(=O)Cc2c(Cl)cccc2Cl)c1C 13678248 FEFSUZUIRXZTDP-UHFFFAOYSA-N 344.263 4.552 0 40 EJAB C[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](C)CCc1ccccc1 13708708 XFUXOPMVKPUVEQ-MSOLQXFVSA-N 347.458 4.745 0 40 EJAB C[C@H](NC(=O)CCc1c[nH]c2ccccc12)c1cccc(Cl)c1 15562057 PROWQOLDGBZTMZ-ZDUSSCGKSA-N 326.827 4.631 0 40 EJAB Cc1c(C(=O)c2ccccc2)oc2cc(NC(=O)C(C)(C)C)ccc12 16993262 XSPIWMQBJCQMTL-UHFFFAOYSA-N 335.403 4.957 0 40 EJAB biogenic CCCC(=O)N1CCC[C@@H]1c1cc(-c2ccc(F)cc2)cc(C)n1 19691517 OIWASAMSBVLOHU-LJQANCHMSA-N 326.415 4.660 0 40 EJAB CCc1ccc(CN2CCN(Cc3ccc4ccccc4c3)CC2)cc1 19842363 BOYFUZNMKCIDKF-UHFFFAOYSA-N 344.502 4.720 0 40 EJAB CCCCN[C@H]1c2ccccc2C(=O)N1[C@@H](C)CCc1ccccc1 20149701 BAEHIFDGFKNAKZ-LAUBAEHRSA-N 336.479 4.552 0 40 EJAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccsc1 22400581 ZHRXQCHIYRXJLE-UHFFFAOYSA-N 329.343 4.808 0 40 EJAB O=C(NCc1ccccc1)c1ccc(CSc2ccccc2)cc1 23679946 GZCBWIGONGFGNJ-UHFFFAOYSA-N 333.456 4.909 0 40 EJAB O=C(c1cc2ccccc2o1)N(Cc1ccc2cc[nH]c2c1)C1CC1 32088709 XBCDLFSSBRIXDL-UHFFFAOYSA-N 330.387 4.719 0 40 EJAB Cc1cc(C)cc(NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)c1 38833562 OALNMMPQVXIGTI-INIZCTEOSA-N 336.479 4.788 0 40 EJAB CC(C)(C)C(=O)NC[C@H](c1cccs1)c1c[nH]c2ccccc12 49929847 IBIRPELRYMRGLI-HNNXBMFYSA-N 326.465 4.524 0 40 EJAB CCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1CC(C)C 72214801 NYWBWKJZSPNJBV-KRWDZBQOSA-N 347.503 4.636 0 40 EJAB CC(C)(C)C[C@@H]1CCCN1C(=O)Nc1cccnc1N1CCCCC1 84169745 LMIPQECBHPXSQK-INIZCTEOSA-N 344.503 4.504 0 40 EJAB Cc1cc(CNC(=O)N(C2CC2)[C@H](C)c2ccc3ccccc3c2)no1 86371626 QISKSDQUGQKHBK-OAHLLOKOSA-N 349.434 4.571 0 40 EJAB CC(C)n1cc([C@H](C)N[C@H](C)c2cccc(Br)c2)cn1 95962852 WEWNFUXQMYODCN-OLZOCXBDSA-N 336.277 4.638 0 40 EJAB Cc1nc(Sc2ncnc3sc4c(c23)CCCC4)sc1C 96305951 ZVIUJEDWGLLFMW-UHFFFAOYSA-N 333.507 4.795 0 40 EJAB C[C@@H](N)[C@H]1[C@H](C)C[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118930497 XIWYUYGZLTUXIP-RAGLHBGGSA-N 331.544 4.520 0 40 EJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCCCc1cccc(C)c1 219605582 VURKVJCGOWLWMA-IBGZPJMESA-N 345.870 4.555 0 40 EJAB C[C@@H](NC(=O)CCc1ccc(F)cc1)c1ccc2c(c1)CCCC2 223002156 PPDRZMQLMMCIHO-OAHLLOKOSA-N 325.427 4.515 0 40 EJAB CCc1ccc(CCC(=O)NCCOc2ccc3ccccc3c2)cc1 223626343 USTDVWUWQNPHJO-UHFFFAOYSA-N 347.458 4.530 0 40 EJAB CCCC[C@H](CC)CNC(=O)[C@@H](CC)Oc1cccc(Cl)c1 224443929 YPIHHFKFXGCEGJ-WMLDXEAASA-N 325.880 4.830 0 40 EJAB COc1ccc(NC(=S)N[C@H](C)CCc2ccccc2)cc1Cl 225513431 NLKRMAAATYWDAJ-CYBMUJFWSA-N 348.899 4.656 0 40 EJAB CCCOc1ccc(NC(=O)[C@@]2(OCCC)CCC[C@@H](C)C2)cc1 225660878 JSIXJUKIYIMVGB-OXQOHEQNSA-N 333.472 4.789 0 40 EJAB CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCC(C)C)c(C)c1 225740125 IEHPAUZZXNJWKR-HXUWFJFHSA-N 335.488 4.954 0 40 EJAB CCOc1ccc(NC(=O)C2(OC)CCCCCC2)c2ccccc12 225806825 JIJDWNUMKJVZAL-UHFFFAOYSA-N 341.451 4.916 0 40 EJAB O=C(c1cccc(Cl)c1)N(Cc1ccccc1)Cc1ccco1 257215 OEWLOWMCOXNSNQ-UHFFFAOYSA-N 325.795 4.776 0 40 EJAB Cc1ccc2c(N)c(C(=O)c3ccc(Cl)cc3Cl)sc2n1 1480518 FFCLZWMZYCLFLF-UHFFFAOYSA-N 337.231 4.725 0 40 EJAB CCCCN(CCNc1cc(OC)cc2cccnc12)C1CCCC1 1656155 FZHODTWZTQRCOB-UHFFFAOYSA-N 341.499 4.700 0 40 EJAB CCOc1ccc([C@@H](C)NC(=O)c2cccc(C)c2C)cc1OCC 3353130 KYHNKLLQEMMXRL-MRXNPFEDSA-N 341.451 4.592 0 40 EJAB O=C(OCC(=O)c1c[nH]c2ccccc12)c1c(Cl)cccc1Cl 3571381 IIDOPJLLNFINQX-UHFFFAOYSA-N 348.185 4.514 0 40 EJAB CC(C)(C)Cc1nnc(NC(=O)c2ccc(Cl)c(Cl)c2)s1 4691010 RDJSRWAHDBYHGY-UHFFFAOYSA-N 344.267 4.686 0 40 EJAB CCc1cc2cc(C)c(C)cc2nc1SCCN1CCCCC1 4858662 QTHKUJUKLZCAFS-UHFFFAOYSA-N 328.525 4.992 0 40 EJAB CC[C@H](Oc1ccccc1F)C(=O)Nc1cc(Cl)ccc1Cl 8040956 MDLABZDIUWAIEK-AWEZNQCLSA-N 342.197 4.929 0 40 EJAB C[C@H](C(=O)Nc1cccc(Cl)c1)N1CCC[C@@H]1c1cccs1 8320646 YIDXPZFRIWKIBD-IUODEOHRSA-N 334.872 4.566 0 40 EJAB O=C(O)/C=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1 8378969 NKBYHMYKGIUBAZ-ZZXKWVIFSA-N 341.165 4.809 0 40 EJAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1cc2ccccc2o1 8405048 VMPFUWGTLZCDOO-UHFFFAOYSA-N 335.359 4.727 0 40 EJAB COc1ccc(NC(=O)/C=C\c2cccc3ccccc23)c(OC)c1 8657199 MQFMURYZQQHMOL-RAXLEYEMSA-N 333.387 4.509 0 40 EJAB O=C(Cc1cc(-c2ccccc2)on1)Nc1cccc(C(F)(F)F)c1 12422128 YMJAPOJDLVLFNE-UHFFFAOYSA-N 346.308 4.542 0 40 EJAB O=C(Nc1cccc2ncccc12)c1cc(-c2ccc(Cl)cc2)on1 12801372 MIFXLGNKJLXKHY-UHFFFAOYSA-N 349.777 4.796 0 40 EJAB CCOc1ccccc1NC(=S)N[C@H](C)c1ccc(C)cc1C 13931429 WYZHISXYOCSAGQ-OAHLLOKOSA-N 328.481 4.750 0 40 EJAB O=C(c1ccccc1Cl)N1CCCC[C@H]1CCN1CCCCCC1 15831548 BSESPURWKYSJPK-KRWDZBQOSA-N 348.918 4.601 0 40 EJAB CCOc1ccccc1-c1nc(-c2ccc(C(F)(F)F)cc2)no1 17068731 SWWYDFRXARFOJY-UHFFFAOYSA-N 334.297 4.821 0 40 EJAB Cc1ccc(-c2nc(COc3ccc(-c4nnco4)cc3)co2)c(C)c1 29375061 WNNBLFUEWVTSOA-UHFFFAOYSA-N 347.374 4.587 0 40 EJAB O=C1CCCN1c1cccc(NC2c3ccccc3-c3ccccc32)c1 32814862 AOLLOUJYVTXGAM-UHFFFAOYSA-N 340.426 4.995 0 40 EJAB CC(C)(C)OC(=O)N1CCC[C@@H](Nc2cccc(C(F)(F)F)c2)C1 40448236 USNKDMFQLHTYBS-CQSZACIVSA-N 344.377 4.517 0 40 EJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCCc1ccccc1 44886466 WTRQTRDJJHPZGQ-GOSISDBHSA-N 347.911 4.960 0 40 EJAB CCc1cc(N)cc(C)c1NC(=O)COc1cc(C)ccc1C(C)C 45890190 VPIBFQKUTPPQTN-UHFFFAOYSA-N 340.467 4.589 0 40 EJAB COc1cccc(C(=O)Nc2ccccc2Oc2ccccc2)c1OC 60387707 VDQMJAUMBDPGFA-UHFFFAOYSA-N 349.386 4.748 0 40 EJAB Cc1ccc(NC(=S)Nc2cccc(C(F)(F)F)c2)c(F)c1 67219591 VXKKNBSKALOUMD-UHFFFAOYSA-N 328.334 4.962 0 40 EJAB C[C@H](NC(=O)/C=C/c1cccc(-c2ccccc2)c1)c1ccccn1 70036533 PPTLTJZCHTYPIP-CLVCIHKQSA-N 328.415 4.639 0 40 EJAB Cc1cc([C@H]2CCCN2C(=O)OCc2ccccc2)cnc1Cl 72217776 WLIMJSWDCLJYKR-MRXNPFEDSA-N 330.815 4.517 0 40 EJAB C/C=C/c1ccc(O[C@@H]2NC=Nc3sc(C)c(C)c32)c(OC)c1 96305962 VKNTXVOEJWPRCS-RTRPANQVSA-N 328.437 4.747 0 40 EJAB O=C(COc1ccc2c(c1)CCCC2)Nc1cccc(C(F)(F)F)c1 96586339 HUINCQXCYOQZDH-UHFFFAOYSA-N 349.352 4.602 0 40 EJAB Cc1ccc(-c2ncc(CN3CCC[C@@H](O)c4ccccc43)s2)o1 97165667 OZQDAGIVUKGWME-QGZVFWFLSA-N 340.448 4.545 0 40 EJAB Cc1cc(Br)c2[nH]c(-c3cc(N)ccc3Cl)nc2c1 216918406 XHDIPMUYMVGXIO-UHFFFAOYSA-N 336.620 4.536 0 40 EJAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCCc1ccccc1 223026590 RKKBDVQNKOFSJY-LJQANCHMSA-N 345.870 4.555 0 40 EJAB CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OC)c(C(F)(F)F)c1 225841793 YGMCSPGFVTZYGI-INIZCTEOSA-N 347.377 4.638 0 40 EJAB Nc1ccc(F)c(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)c1 226365484 LDHJWPGTHJIVNQ-UHFFFAOYSA-N 330.746 4.574 0 40 EJAB CCC[n+]1cc(Br)cc(-c2nc3cc(C)c(C)cc3o2)c1 226774921 LCQQVBSTSUUTBK-UHFFFAOYSA-N 346.248 4.572 0 40 EJAB CCn1c(-c2ccc(Cl)cc2)c(C)s/c1=N\C(=O)c1ccco1 408562159 NNMUPODZYRIYPG-ZPHPHTNESA-N 346.839 4.532 0 40 EJAB O=C(O)c1cccc2c1N[C@H](c1ccccc1)[C@@H]1Cc3ccccc3[C@H]21 408994946 JWZCKVRWTZDHHF-NJDAHSKKSA-N 341.410 4.856 0 40 EJAB CCc1nc(-c2ccccc2OCc2ccccc2)ccc1C(=O)O 585265551 NYBWPQXBHBVUQP-UHFFFAOYSA-N 333.387 4.588 0 40 EJAB Cc1ccccc1[C@H](N[C@H](C)c1ccc(O)nn1)[C@H]1CCC[C@H](C)C1 671747522 HUEVAMFTLUQQDF-YHXHNGJMSA-N 339.483 4.709 0 40 EJAB O=C(Nc1cccc2ccccc12)c1cc2cc(Cl)ccc2oc1=O 294106 NSQCWERIMLBIAQ-UHFFFAOYSA-N 349.773 4.852 0 40 EJAB C[C@@H](OC(=O)C[C@@H](c1ccccc1)N1CCCCC1)c1ccccc1 1569402 WWFXXOLLBWVWJA-NQIIRXRSSA-N 337.463 4.908 0 40 EJAB Cc1ccc(S(=O)(=O)Oc2ccc(C(C)(C)C)cc2Cl)cc1 1596320 WZDWXPXQTMRDPO-UHFFFAOYSA-N 338.856 4.714 0 40 EJAB O=C(NCCc1ccccc1)C1(c2ccc(Cl)cc2)CCCC1 3235380 CDEADXCMTHZJOK-UHFFFAOYSA-N 327.855 4.511 0 40 EJAB Cc1cc(Cl)ccc1NC(=O)COc1ccccc1C(C)(C)C 5750077 OFRKVRNXWNHOPB-UHFFFAOYSA-N 331.843 4.963 0 40 EJAB O=C(Sc1nnc(Cc2ccccc2)o1)c1cccc2ccccc12 6475454 KHXBOHMKCZRDII-UHFFFAOYSA-N 346.411 4.746 0 40 EJAB CN(C)CCCNCC[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 6760475 BFPYTBPJKQOKEE-HXUWFJFHSA-N 348.893 4.542 0 40 EJAB CCCCCNCc1ccc(OCc2ccccc2)c(OCC)c1 7261298 BIAMRHUIOIHKJZ-UHFFFAOYSA-N 327.468 4.944 0 40 EJAB Clc1ccc(OCc2ccccc2)c(CNCc2ccco2)c1 7523687 GIMANNYKJMJJQA-UHFFFAOYSA-N 327.811 4.802 0 40 EJAB C[C@@H](CCc1ccco1)Nc1nc(-c2cccnc2)nc2ccccc12 8205329 UOSZIFSKTTVZKS-HNNXBMFYSA-N 344.418 4.718 0 40 EJAB Cc1cc(C(=O)Nc2ccc(N3CCCCC3)cc2)c(C)n1C1CC1 8780050 WFZMFVLGVVGTAL-UHFFFAOYSA-N 337.467 4.682 0 40 EJAB Cc1nc(Sc2nccn2C)c2c(-c3ccccc3)csc2n1 15208619 XMSBDEQNJDQJPZ-UHFFFAOYSA-N 338.461 4.551 0 40 EJAB CCOc1c(Cl)cc(C(=O)Nc2ccc(C)c(C)c2)cc1OC 16031786 MVLRZMQETWBQEF-UHFFFAOYSA-N 333.815 4.616 0 40 EJAB Cc1ccc(CN(C)C(=O)CSCc2ccccc2Cl)cc1 20482340 CJYHKHNKPFXFOW-UHFFFAOYSA-N 333.884 4.540 0 40 EJAB Cc1ccccc1NC(=O)c1sc(N(C)c2ccccc2)nc1C 22237674 IAHBNLPKMDEWPG-UHFFFAOYSA-N 337.448 4.780 0 40 EJAB 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4.543 0 40 EJAB O=C(CCSc1ccccc1)NCc1ccc(-c2ccsc2)o1 618256696 WGXMPJJXUXSDHZ-UHFFFAOYSA-N 343.473 4.807 0 40 EJAB C[C@]12CC[C@H]3[C@@H](CC[C@@]4(C)CC5(CC[C@]34C)OCCO5)[C@H]1CCC2=O 2049238327 GOQSFMJREPWSEI-RFFXPFOISA-N 346.511 4.731 0 40 EJAB C=C(c1cn(C(C)=O)c2ccccc12)c1cn(C(C)=O)c2ccccc12 344361 NUWOKANBIFXVGS-UHFFFAOYSA-N 342.398 4.978 0 40 EJAB COc1ccc(C(=O)Oc2ccccc2C(C)C)cc1Br 359058 KHUKLUOMUCJBHI-UHFFFAOYSA-N 349.224 4.800 0 40 EJAB CC1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2)CC1 559725 SLVCYOXHTUDFTH-UHFFFAOYSA-N 328.843 4.829 0 40 EJAB CCC(=O)Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1 569262 DYAFXGJZKHCZAP-UHFFFAOYSA-N 336.725 4.775 0 40 EJAB O=C(c1ccc(C(F)(F)F)cc1)c1cccc(CN2CCCCC2)c1 2515024 MUNLUXAEMMWICG-UHFFFAOYSA-N 347.380 4.922 0 40 EJAB C[P@@](=O)(Nc1ccccc1Br)Oc1ccccc1 3123428 BDAILSJWZNDPDW-SFHVURJKSA-N 326.130 4.763 0 40 EJAB CCOc1ccc2oc(C(=O)Nc3cccc(C(C)=O)c3)c(C)c2c1 3326424 PEIUOOPMKOJBCY-UHFFFAOYSA-N 337.375 4.595 0 40 EJAB CCCn1c([C@H]2CC(=O)N(c3ccc(C)cc3C)C2)nc2ccccc21 4902996 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40 EJAB COc1ccc(CC(=O)N(Cc2ccccc2)c2ccccc2)cc1F 19310542 FOXVXYSAFMKJQI-UHFFFAOYSA-N 349.405 4.610 0 40 EJAB Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCN2C(=O)C(C)C)n1 19691515 SYSBMJUCWFOSAW-IBGZPJMESA-N 326.415 4.516 0 40 EJAB Cc1ccc(OCc2nnc(SCc3ccc(F)cc3)o2)cc1C 19927999 NXJONQIHRYJEAG-UHFFFAOYSA-N 344.411 4.697 0 40 EJAB O=C(Nc1cccc(-c2ccc(CO)o2)c1)c1cccc2ccccc12 20138921 UTWOJHDKXAZXAI-UHFFFAOYSA-N 343.382 4.844 0 40 EJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N[C@@H]1CCCc2ccccc21 20481450 GNBVUQQNVVXILH-RTWAWAEBSA-N 337.463 4.655 0 40 EJAB CC(=O)N(CC[C@@H](c1ccco1)C(C)(C)C)[C@H]1CCOC(C)(C)C1 32096879 XMLBGUYFJDHQGR-IRXDYDNUSA-N 335.488 4.606 0 40 EJAB c1ccc(-c2cc(CNc3ncnc4c3oc3ccccc34)on2)cc1 32927010 UFFDODCGOROAAP-UHFFFAOYSA-N 342.358 4.643 0 40 EJAB Cc1nc(C)c(C(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)s1 32978380 FWRLPFVIEXYFBL-CYBMUJFWSA-N 336.460 4.918 0 40 EJAB Cc1ccc2c(c1)CCCN2C(=O)c1cc(C)n(Cc2ccco2)c1C 37111874 UZVDXMIVRUYYTF-UHFFFAOYSA-N 348.446 4.648 0 40 EJAB CC1CCN(Cc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)CC1 38773214 GKDSPYHSVNMXJU-UHFFFAOYSA-N 342.870 4.824 0 40 EJAB Cc1cc(C)c2c(CC(=O)Oc3cccc4cccnc34)coc2c1 39892713 YUYRTRPUUSDNEF-UHFFFAOYSA-N 331.371 4.746 0 40 EJAB CCCOc1cc(F)ccc1NC(=O)Cc1c(F)cccc1Cl 79107133 VLWQZNXXRINIQA-UHFFFAOYSA-N 339.769 4.588 0 40 EJAB CC(C)n1cc([C@@H](C)N[C@H](C)c2cccc(Br)c2)cn1 95962851 WEWNFUXQMYODCN-CHWSQXEVSA-N 336.277 4.638 0 40 EJAB CCC[C@@H](C)N(C)C(=O)Nc1cc(C(F)(F)F)ccc1OCC 97160072 MQDJUEUXLKLWLN-LLVKDONJSA-N 332.366 4.756 0 40 EJAB O=C([C@H]1C[C@H]2C=C[C@H]1C2)N1CCCC[C@@H]1c1nc2ccccc2s1 100804871 JLXWJSPPBHXNNB-QBYUYEEZSA-N 338.476 4.562 0 40 EJAB C[C@H](NC(=O)CSc1ccccc1)c1ccc2c(c1)CCCC2 222903192 TXKNWFSXBJZTSU-HNNXBMFYSA-N 325.477 4.535 0 40 EJAB CC[C@@H](Oc1ccc(F)cc1)C(=O)N[C@H](C)c1cc(C)c(C)cc1C 223465764 AJBRWFQTWVTYGM-OXQOHEQNSA-N 343.442 4.786 0 40 EJAB CCc1ccc(CC)c(CNC(=O)c2ccccc2OC(C)C)c1 224054513 OGPLUUUWYSQFSD-UHFFFAOYSA-N 325.452 4.529 0 40 EJAB COc1ccc(C(=O)NCCCc2ccc(C(C)C)cc2)cc1Cl 225409504 FBZQWVWYSGQERM-UHFFFAOYSA-N 345.870 4.835 0 40 EJAB CCc1ccc(NC(=S)NCCCSC2CCCCC2)cc1 225590114 INPJFTIFBQVQHD-UHFFFAOYSA-N 336.570 4.991 0 40 EJAB CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC)c(Cl)c1 225737120 AJNCMMKILSWQAZ-SFHVURJKSA-N 341.879 4.909 0 40 EJAB Ic1ccc(Oc2ccc3ccccc3c2)nc1 685937859 XKFCBUGIBTXPMT-UHFFFAOYSA-N 347.155 4.632 0 40 EJAB O=C(c1cccs1)c1cn(-c2ccccc2)nc1-c1ccccc1 33587 YAGGYNREDSJREN-UHFFFAOYSA-N 330.412 4.832 0 40 EJAB O=C(Nc1cc(-c2nc3ccccc3o2)ccc1Cl)c1cccnc1 271343 OFNVXARRLSILPE-UHFFFAOYSA-N 349.777 4.796 0 40 EJAB O=C(Nc1nc2c(Cl)c(Cl)ccc2s1)c1cccs1 558513 ANIHVIXTOXBWJR-UHFFFAOYSA-N 329.233 4.917 0 40 EJAB O=P(Oc1ccc(Cl)cc1)(Oc1ccc(Cl)cc1)N1CC1 1596095 FKWDRQKKGHCZMJ-UHFFFAOYSA-N 344.134 4.875 0 40 EJAB O=C(Cc1ccccc1)Nc1nc2c(Cl)ccc(Cl)c2s1 2713976 XQMIJPKVIJOUKN-UHFFFAOYSA-N 337.231 4.784 0 40 EJAB CCN(C(=O)COc1ccc(Cl)cc1Cl)c1cccc(C)c1 3193302 JJXYKKVNNLQBLB-UHFFFAOYSA-N 338.234 4.734 0 40 EJAB S=C(NC1CCCCC1)NN(c1ccccc1)c1ccccc1 3306990 SXLGIKOIBDEQRS-UHFFFAOYSA-N 325.481 4.537 0 40 EJAB COc1ccc(NC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)cc1OC 4666396 BFTPFHZNWZGPHY-HNNXBMFYSA-N 341.451 4.645 0 40 EJAB COc1ccc(CC(=O)Nc2nc3c(ccc4ccccc43)s2)cc1 5578424 KYPJYGHBNIHGNW-UHFFFAOYSA-N 348.427 4.639 0 40 EJAB Cc1cc(S(=O)(=O)Oc2cccc3ccccc23)ccc1Cl 5749996 JPQUQINLSOWMEH-UHFFFAOYSA-N 332.808 4.569 0 40 EJAB CC(C)Cc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H](O)CC[C@H]12 6256177 NFBYXABUAHVOLX-DCUZGVIYSA-N 328.496 4.808 0 40 EJAB CCCc1ccc(-c2csc(NC(=O)c3ccoc3C)n2)cc1 6548379 QSRFCWXQEBKLJV-UHFFFAOYSA-N 326.421 4.916 0 40 EJAB COc1ccc(Nc2ccccc2NC(=O)c2cccc(F)c2)cc1 6650457 DULMLESTQOGTBS-UHFFFAOYSA-N 336.366 4.830 0 40 EJAB CCOc1c(CN[C@H](C)C23CC4CC(CC(C4)C2)C3)cccc1OC 8253478 NUFJNZPXENABQX-NOCBQHASSA-N 343.511 4.788 0 40 EJAB O=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)c1cc2ccccc2o1 8263129 ZMGFLPZLPXXQBN-GOSISDBHSA-N 325.795 4.967 0 40 EJAB COc1ccc(CCCC(=O)Nc2ccccc2SC)cc1C 9615102 HPEFZWCIVXPDLA-UHFFFAOYSA-N 329.465 4.687 0 40 EJAB O=C(CCSCc1ccc(Cl)cc1)N1CCc2ccccc21 13021294 KUNXXQUADKPLSN-UHFFFAOYSA-N 331.868 4.553 0 40 EJAB Cc1noc2nc(C3CC3)cc(C(=O)Nc3cccc4ccccc34)c12 14179920 YNISSJNFQGZOSU-UHFFFAOYSA-N 343.386 4.814 0 40 EJAB O=C(OCc1cccc(F)c1F)c1csc(-c2ccsc2)n1 14199116 MUOWZUFQWCESBO-UHFFFAOYSA-N 337.372 4.507 0 40 EJAB O=C(O)[C@H]1CC(c2ccc3c(c2)CCCC3)=Nc2ccccc2S1 16776749 PAKGBKFTJUEOJX-LJQANCHMSA-N 337.444 4.635 0 40 EJAB CC(C)[C@H](NC(=O)C1CCOCC1)c1ccc(C2CCCCC2)cc1 19311676 SXMXQLFYFARHJK-NRFANRHFSA-N 343.511 4.974 0 40 EJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(OC)c(Cl)c1 20039269 NDEZUMZYJAVDNE-KRWDZBQOSA-N 347.842 4.762 0 40 EJAB CCc1cccc(CC)c1NC(=O)[C@@H](CC)Oc1ccccc1C 20451041 IMIWERYSYYAZLN-GOSISDBHSA-N 325.452 4.916 0 40 EJAB CCSc1ccccc1NC(=O)CSCc1ccc(C)cc1 20458334 LMTJRAMNDXUSAA-UHFFFAOYSA-N 331.506 4.979 0 40 EJAB CC[C@H](C)c1ccccc1NC(=O)[C@H](C)Sc1cc(C)nc(C)n1 24568474 HPDBFDQHEVZQMD-JSGCOSHPSA-N 343.496 4.726 0 40 EJAB Cc1coc2cc3oc(=O)cc(-c4cc5ccccc5oc4=O)c3cc12 30819589 VMEALEWVWSMCAP-UHFFFAOYSA-N 344.322 4.621 0 40 EJAB biogenic Cc1ccc2c(NC(=O)c3ccccc3C(F)(F)F)cccc2n1 36709747 KYHVJQJMNCBUAY-UHFFFAOYSA-N 330.309 4.814 0 40 EJAB CC[C@H](C)Nc1cc(C)nc2c(C)c(-c3ccc(Cl)cc3)nn12 40217025 FPRRLMTYMRKRHT-NSHDSACASA-N 328.847 4.877 0 40 EJAB CC[C@@H](NC(=O)CSCc1cc(C)cc(C)c1)c1ccccc1 44901662 IHEMVJBTZWQLIG-LJQANCHMSA-N 327.493 4.804 0 40 EJAB Cc1ccsc1C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 58194961 SIVXBYKYXZZBRK-UHFFFAOYSA-N 342.445 4.623 0 40 EJAB O=C(Cc1cccc(O)c1)Nc1ccc(SC2CCCC2)cc1 63538078 ZFMHVAGSBHCJJR-UHFFFAOYSA-N 327.449 4.608 0 40 EJAB CCOc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)c1csc(C)n1 71832989 OMVSLQDHWGHHOT-GFCCVEGCSA-N 344.480 4.783 0 40 EJAB CCCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2CC)cn1 72214970 CYNQMNCHHKSXAC-QGZVFWFLSA-N 347.503 4.780 0 40 EJAB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1cc(Cl)ccc1Cl)CC2=O 100834587 PFWDTZXZKWFNGJ-IAGOWNOFSA-N 340.250 4.717 0 40 EJAB NN1C(=S)N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1 200200385 DEBGZKKWACVPLZ-QOTSGZDISA-N 347.487 4.527 0 40 EJAB O=C1S/C(=C/c2ccsc2)C(=O)N1Cc1ccc(Cl)cc1 214170960 KOYRNCAPEGBOPU-NTUHNPAUSA-N 335.837 4.638 0 40 EJAB CC[C@H](Oc1ccccc1)C(=O)N[C@H](CC)c1ccc(C)c(C)c1 222867650 JWCLMVPCIYJKAB-UXHICEINSA-N 325.452 4.728 0 40 EJAB Cc1cc(C)c([C@@H](C)NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1C 223463680 PMXWVRSVLCUHQX-CVEARBPZSA-N 345.870 4.910 0 40 EJAB Cc1nc(C2CC2)ncc1C(=O)Nc1ccccc1Oc1ccccc1 225792154 MDIKWZGUDXIMAH-UHFFFAOYSA-N 345.402 4.707 0 40 EJAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCCC)nc1 225897429 CDCBOPYDPJYNHN-IBGZPJMESA-N 336.476 4.575 0 40 EJAB CCOc1ccccc1-c1ccc(C(=O)O)c(CC2CCCC2)n1 257252895 JWOOTSLDEMMJIT-UHFFFAOYSA-N 325.408 4.578 0 40 EJAB Cc1nc(C(C)C)sc1[C@@H](C)N(C)Cc1ccsc1C(=O)O 568066185 SCVFHPSLWIBQDN-LLVKDONJSA-N 338.498 4.528 0 40 EJAB CC(=O)OCC(=O)c1ccc(N(c2ccccc2)c2ccccc2)cc1 575358978 JZLUKUXXRULUPJ-UHFFFAOYSA-N 345.398 4.902 0 40 EJAB CC(C)(C)[C@H]1CCN(C(=O)CCc2ccc(Cl)cc2Cl)C1 622506464 LLOHKSUYCCLDIA-ZDUSSCGKSA-N 328.283 4.821 0 40 EJAB Cc1cc(Cl)ccc1OCC(=O)Nc1cccc(Cl)c1Cl 253741 IZBPMQUARBBXBT-UHFFFAOYSA-N 344.625 4.973 0 40 EJAB CCc1cc2c(=O)c(-c3cc4ccccc4o3)coc2cc1OC(C)=O 517574 QUSZDZOQKPFBIS-UHFFFAOYSA-N 348.354 4.694 0 40 EJAB biogenic O=C(c1cc2cc3ccccc3nc2s1)N1CCc2ccccc2C1 1399194 XICPYZTVSSXERJ-UHFFFAOYSA-N 344.439 4.648 0 40 EJAB C[C@H]1CCCc2sc3nc(NC4CCCCC4)n4ncnc4c3c21 2402491 UAEISVMSOXYGFO-NSHDSACASA-N 341.484 4.523 0 40 EJAB Cn1c(C(=O)N(Cc2ccoc2)C2CCCCC2)cc2sccc21 4971226 HNJLNEFXCPJUFB-UHFFFAOYSA-N 342.464 4.808 0 40 EJAB Cc1ccc(Cl)cc1NC(=O)CCc1c(C)nn(CC(C)C)c1C 7463240 DAZHAXCPKVVHMJ-UHFFFAOYSA-N 347.890 4.689 0 40 EJAB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(N2CCCCC2)cc1 7505000 JWTBCVRUGMPIFL-UHFFFAOYSA-N 348.368 4.948 0 40 EJAB Cc1cccc(NC(=O)c2ccc(OCc3csc(C)n3)cc2)c1 7914619 DODNPFCWVDZKJD-UHFFFAOYSA-N 338.432 4.591 0 40 EJAB Fc1ccccc1CN1CCC(c2nc3ccccc3s2)CC1 8201786 ONFIMDFBEGSBDN-UHFFFAOYSA-N 326.440 4.815 0 40 EJAB CC(=O)Nc1ccc(OC(=O)c2sc3ccccc3c2Cl)cc1 8555329 GAEJOVJTPBOXAS-UHFFFAOYSA-N 345.807 4.732 0 40 EJAB Cc1ccc(SCCC(=O)Nc2ccc3scnc3c2)cc1 10217610 IBCZWMKYOLDHGN-UHFFFAOYSA-N 328.462 4.726 0 40 EJAB CCOC(=O)c1ccccc1NC(=O)CCc1ccc(C(C)C)cc1 10324907 AWYXYSRTTIFVSH-UHFFFAOYSA-N 339.435 4.558 0 40 EJAB COCCn1c(COc2ccc(C(C)(C)C)cc2)nc2ccccc21 12401113 DOTDZVMZOSVRPM-UHFFFAOYSA-N 338.451 4.559 0 40 EJAB Cc1ccc(C)c(C(=O)COC(=O)c2cc3cc(F)ccc3s2)c1 12691007 FWHULKWXJAVLFZ-UHFFFAOYSA-N 342.391 4.697 0 40 EJAB C[C@@H](NC(=O)c1csc(-c2ccccc2)n1)c1ccc(F)cc1F 12780657 HBFJQMDGYGXFGI-LLVKDONJSA-N 344.386 4.579 0 40 EJAB Cc1ccc(-c2nnc([C@@H](C)Nc3ccc4oc(C)nc4c3)o2)cc1 15501750 JANZQKAIEXKSAK-GFCCVEGCSA-N 334.379 4.668 0 40 EJAB Cc1ccc(NC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)c(C)c1 20459918 BIAQYCQLDSHWRM-QGZVFWFLSA-N 336.479 4.788 0 40 EJAB Cc1ccc(CCC(=O)N2CCc3sccc3[C@H]2C)cc1Cl 22007857 YNKAUMGHKBGLQL-CYBMUJFWSA-N 333.884 4.788 0 40 EJAB Cc1ccc(Nc2nc(Cl)nc3c2cnn3-c2ccccc2)cc1C 32500100 VWXKQQKCSYBBLH-UHFFFAOYSA-N 349.825 4.829 0 40 EJAB CCc1ccccc1NC1=NC(=O)/C(=C\c2ccc(Cl)cc2)S1 35043341 DPRRCBNRXMWWGX-LFIBNONCSA-N 342.851 4.985 0 40 EJAB Cc1ccc(-c2noc3nc(C)cc(C(=O)N4CCCC[C@H]4C)c23)cc1 36618379 OXWYFWCODHDWJI-OAHLLOKOSA-N 349.434 4.521 0 40 EJAB Cc1ccc2nc(-c3cccc(I)c3)oc2c1C 73639066 RXVQSHSHDUNWET-UHFFFAOYSA-N 349.171 4.716 0 40 EJAB Cc1c(Cl)cccc1NC(=O)[C@@H](C)Oc1cccc2c1CCCC2 224026244 DGHRVYMDSRLPBH-CQSZACIVSA-N 343.854 4.933 0 40 EJAB CCCC[C@H](CC)CNC(=O)CCCc1nc2cc(C)ccc2o1 224949494 TWVIAIJUOATLOX-INIZCTEOSA-N 330.472 4.792 0 40 EJAB Cc1ccc(CCCNC(=O)Cc2ccc(-c3ccccc3)cc2)cc1 224978208 QOAJTESJEKINSE-UHFFFAOYSA-N 343.470 4.954 0 40 EJAB Cc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)c(Cl)c1 225007458 BWYJMTDUFQEXOM-UHFFFAOYSA-N 327.733 4.597 0 40 EJAB CCCOC1(C(=O)Nc2ccc(OC)c(Cl)c2)CCC(C)CC1 225670208 BIMNKBPWQLJUDK-UHFFFAOYSA-N 339.863 4.663 0 40 EJAB COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(OC)c(C)c2)cc1 225771656 VZXOYQUPSAPONH-IBGZPJMESA-N 341.451 4.529 0 40 EJAB COc1cccc(NC(=O)c2ccc(-c3nc(C)sc3C)cc2)c1 408579824 KAAIQFWGKHDQLU-UHFFFAOYSA-N 338.432 4.688 0 40 EJAB CCCCO[C@H](C)OCCCC(F)(F)C(F)(F)Br 1083808001 RBUAIMLTHWOBRY-VIFPVBQESA-N 339.167 4.569 0 40 EJAB COc1cc(C(=O)NC2CCC(C)(c3ccccc3)CC2)ccc1C 1127143231 CHJYXFBOWDQRMF-UHFFFAOYSA-N 337.463 4.634 0 40 EJAB CC1(C)[C@@H]2CC[C@@]1(C)c1nc(SCc3ccc(Cl)cc3)nnc12 422502 ZJTFZELJDIFDGW-ACJLOTCBSA-N 345.899 4.992 0 40 EJAB FC(F)(F)c1nc(SCc2ccc(Cl)cc2)nc2c1CCC2 581835 LMJUGEJTSUTEDZ-UHFFFAOYSA-N 344.789 4.930 0 40 EJAB Cc1ccc(C)c(-c2csc(NC(=O)Cc3ccccc3F)n2)c1 3330026 FVRNCCNJORQOHX-UHFFFAOYSA-N 340.423 4.747 0 40 EJAB COCCn1c(C)cc(-c2csc(Nc3ccccc3)n2)c1C 3532450 ATCGKJONXNFVPG-UHFFFAOYSA-N 327.453 4.618 0 40 EJAB CCCCC1=N[C@@H]2Sc3c(OCC)ncnc3[C@H]2C2=C1CCC2 6309877 MAQIBBSNIMFISD-RDTXWAMCSA-N 329.469 4.516 0 40 EJAB CCc1c(C)sc2[nH]c(=S)n(-c3cccc(C)c3C)c(=O)c12 6566824 PDQUQKOGTACZRG-UHFFFAOYSA-N 330.478 4.597 0 40 EJAB O=C(Cc1ccc2ccccc2c1)Nc1cccc(Br)c1 8206161 MIUULXLZGVHSEA-UHFFFAOYSA-N 340.220 4.784 0 40 EJAB CCCCc1ccc2nc(C)c(CN3CCC[C@H](C)C3)c(O)c2c1 8717216 CJSVSYJFVMRQGC-HNNXBMFYSA-N 326.484 4.823 0 40 EJAB Cc1ccc(F)c(NC(=S)Nc2ccc(Br)cc2)c1 13840253 YCSWLFLNTUWKOR-UHFFFAOYSA-N 339.233 4.706 0 40 EJAB CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1C 20040618 HLFCHHRZRKDXGY-QGZVFWFLSA-N 325.452 4.889 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2cccc(C)c2C)c(C)c1 20460941 LCKPVFJFUZIXGY-MSOLQXFVSA-N 325.452 4.565 0 40 EJAB Cc1cc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)cc(C)c1Cl 20483316 SQJNGJUPLBQPSX-UONOGXRCSA-N 349.833 4.741 0 40 EJAB C[C@H](NC(=O)CCn1ccc2ccccc21)c1cccc(Cl)c1 21911599 QPWYUBZCSDOJQP-AWEZNQCLSA-N 326.827 4.562 0 40 EJAB CCn1c(SC(C)C)nc2scc(-c3ccccc3)c2c1=O 24925969 CPIDKPHACULKQK-UHFFFAOYSA-N 330.478 4.645 0 40 EJAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(C(F)(F)F)cc1 30752005 YOAOVYFBSPYVNH-INIZCTEOSA-N 337.341 4.810 0 40 EJAB Cc1ccccc1-c1cc(-c2nc(-c3cccc(Cl)c3)no2)[nH]n1 46914359 CMYMBWISMKIZQI-UHFFFAOYSA-N 336.782 4.756 0 40 EJAB Cc1ccc([C@H](C)NC(=O)COc2ccc(Cl)c(C)c2)cc1C 59351193 RTQWNRUFJFYLOV-HNNXBMFYSA-N 331.843 4.521 0 40 EJAB CCc1cc2c(N3CCCC[C@@H]3c3nc(C)cs3)ncnc2s1 95393665 RWCHLQWHCODNIJ-CQSZACIVSA-N 344.509 4.750 0 40 EJAB CC[C@@H](c1ccc(F)cc1)[S@@](=O)Cc1coc(-c2cccs2)n1 95960695 GZPHALFMLJHRQL-QMHKHESXSA-N 349.452 4.942 0 40 EJAB Cc1ccc(-c2nc(C)c([C@H](C)N[C@@H](C)c3cnn(C)c3)s2)cc1 96477346 MDLAOYIMGBHMSF-KBPBESRZSA-N 340.496 4.572 0 40 EJAB Cc1cc([C@H](C)NCc2csc(-c3ccccn3)n2)c(C)s1 124999952 HKWDNUZXCFRMJP-LBPRGKRZSA-N 329.494 4.734 0 40 EJAB CCOc1cccc(NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)c1 223390509 XXDFVLHZCPIKDN-MRXNPFEDSA-N 341.451 4.923 0 40 EJAB Cc1ccc(-c2nnc(NC(=O)c3cc4ccccc4o3)s2)cc1 225408328 UAOXRQQSNIJGHS-UHFFFAOYSA-N 335.388 4.512 0 40 EJAB Cc1ccccc1-c1nc2ccc(N3Cc4ccccc4C3=O)cc2o1 226286834 NIBCISMYDYCPPR-UHFFFAOYSA-N 340.382 4.964 0 40 EJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cccc(Cl)c3)N21 260788400 ZSUQXRICNMYPEL-PVAVHDDUSA-N 343.883 4.714 0 40 EJAB C[C@@H]1Cc2nn(-c3ccccc3)c(-c3ccc(F)cc3)c2C(=O)[C@@H]1C 106069 XJEHDQSJBHXWSJ-ZIAGYGMSSA-N 334.394 4.689 0 40 EJAB CCOC(=O)c1c(NC(=O)c2c(C)cc(C)cc2C)sc(C)c1C 118529 JLGWMEPMTDHQAH-UHFFFAOYSA-N 345.464 4.719 0 40 EJAB O=[N+]([O-])N1CCn2c3c(c4cc(C5CCCCC5)ccc42)CCC[C@@H]31 131423 CGBJMCAWUZNITI-IBGZPJMESA-N 339.439 4.574 0 40 EJAB biogenic,in-vitro COc1ccccc1C(=O)Nc1nc2c(C)cc(Cl)cc2s1 2713956 WITRMMXXAGJUMY-UHFFFAOYSA-N 332.812 4.519 0 40 EJAB CN(C(=O)Cc1ccccc1F)C(c1ccccc1)c1ccccc1 3328109 YEWXQHPOOZAJEQ-UHFFFAOYSA-N 333.406 4.616 0 40 EJAB O=C(CC1CCCCC1)Nc1c2c(nn1-c1ccccc1)CSC2 4088679 KSZIRAYSBFJKIW-UHFFFAOYSA-N 341.480 4.528 0 40 EJAB COC(=O)[C@]1(C)CCC[C@]2(C)c3cc(O)c(C(C)C)cc3CC[C@H]21 4720786 LLPVUJKHELUZHR-HMXCVIKNSA-N 330.468 4.699 0 40 EJAB biogenic O=C(NC1(c2ccc(F)cc2)CCCC1)c1cccc2ncccc12 4933322 WTADVSVFMJVYFR-UHFFFAOYSA-N 334.394 4.573 0 40 EJAB Cc1ccc(C(C)C)cc1OCC(=O)Nc1ccc(OC(F)F)cc1 6328909 KRHVHLKQHCNLLS-UHFFFAOYSA-N 349.377 4.737 0 40 EJAB CN(C)[C@@H]1CCc2c(ccc3ccccc23)[C@@H]1OC(=O)c1ccccc1 6437240 MABOKCQFSCINST-YADHBBJMSA-N 345.442 4.614 0 40 EJAB c1ccc(C2=Nc3c(ccc4ccccc34)C(c3cccnc3)=NN2)cc1 6446103 ZCCPFAZAJUCSEG-UHFFFAOYSA-N 348.409 4.669 0 40 EJAB O=C(CNC1CCCCCC1)Nc1ccccc1Oc1ccccc1 7846658 HEINYKOUAAOUOF-UHFFFAOYSA-N 338.451 4.730 0 40 EJAB Cc1cccc2nc(C(=O)Nc3ccccc3-c3ccccc3)cn12 8135838 IKOJCJGEAOAOED-UHFFFAOYSA-N 327.387 4.562 0 40 EJAB O=C(Nc1ccc(Cl)cc1)Nc1nnc(-c2ccccc2)s1 8742733 NXXFOZPZMBBPAA-UHFFFAOYSA-N 330.800 4.503 0 40 EJAB Cc1ccc(S[C@@H](C)C(=O)NCCCc2cccc(C)c2)cc1 10110640 QEXLNUPQYPSNKT-KRWDZBQOSA-N 327.493 4.533 0 40 EJAB Cc1cccc(OCC(=O)Nc2ccccc2SC(F)F)c1C 12747622 VHTWIIDXBAGATE-UHFFFAOYSA-N 337.391 4.636 0 40 EJAB Cc1cc(C(=O)Nc2cccc(Cl)c2)c(C)n1Cc1ccco1 12932066 LFHXHFONYLDESS-UHFFFAOYSA-N 328.799 4.652 0 40 EJAB CC(C)=C[C@@H]1[C@H](C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)C1(C)C 15022294 ITSBNEWNJSOISB-GFYURDRJSA-N 329.528 4.946 0 40 EJAB Brc1cccc(-c2nnc(Nc3ccccc3)s2)c1 26442036 JHXKSQVUQBHITG-UHFFFAOYSA-N 332.226 4.711 0 40 EJAB O=C(c1ccc(C2CCCCC2)cc1)N1CCO[C@@H](c2ccccc2)C1 27905800 CZXGMOTVOMAYAI-JOCHJYFZSA-N 349.474 4.948 0 40 EJAB O=C(Nc1cccnc1)[C@H]1CCCC[C@H]1c1nc2ccccc2s1 32904767 IAALHLOENOLSNC-LSDHHAIUSA-N 337.448 4.604 0 40 EJAB COc1ccccc1OCc1ccc(C(=O)Oc2cccc(C)c2)cc1 33603612 XAHRJYRVAZSMEM-UHFFFAOYSA-N 348.398 4.802 0 40 EJAB COc1ccccc1-c1cc2nc(C)cc(Nc3ccc(C)cc3)n2n1 36631417 WSLACEQNPWILSK-UHFFFAOYSA-N 344.418 4.765 0 40 EJAB Cc1nc(C)c(-c2nnc(S[C@H](C)c3ccc(F)cc3)o2)s1 37163393 QVTYCNFZIWKBQJ-SECBINFHSA-N 335.429 4.802 0 40 EJAB CCOc1ccccc1NC(=O)N(C)Cc1c(F)cccc1Cl 40098735 ZUURIRIVGZNNME-UHFFFAOYSA-N 336.794 4.542 0 40 EJAB COc1ccc(N(C(=O)c2ccc(F)cc2Cl)[C@@H](C)C2CC2)cc1 65565858 QBIRFCGYSKPCOQ-LBPRGKRZSA-N 347.817 4.933 0 40 EJAB C[C@@H](Nc1ncnc2sc(Br)cc12)c1ccccc1 66348352 VRNQAFKWBFDABH-SECBINFHSA-N 334.242 4.627 0 40 EJAB Cc1ccc([C@@H](NC(=O)c2ccncc2Cl)c2ccccc2)cc1 73009174 JZJILOQWCMFREO-IBGZPJMESA-N 336.822 4.563 0 40 EJAB O=C(c1cc(Cl)ccc1Cl)N(CCc1cccs1)C1CC1 75154804 ARFIVMBRSCLRDJ-UHFFFAOYSA-N 340.275 4.902 0 40 EJAB CCN(CC)c1ccc2cc(-c3nc4cc(C)ccc4o3)c(=O)oc2c1 196172060 PTAGJQADNFQMGR-UHFFFAOYSA-N 348.402 4.756 0 40 EJAB C[C@H](NC(=O)c1ccc(N2CCCCC2)cc1)c1ccc2c(c1)CCC2 223196705 PCIUPCIHUJBTBN-KRWDZBQOSA-N 348.490 4.657 0 40 EJAB Cc1cc(C)c([C@H](C)NC(=O)COc2ccccc2C(C)C)cc1C 223490818 MWRUSBRUNQKWCN-SFHVURJKSA-N 339.479 4.991 0 40 EJAB COc1cc(C)c(S(=O)(=O)Nc2cc(C)cc(C)c2)cc1C(C)C 224012309 HBWBHWKWLWQRCV-UHFFFAOYSA-N 347.480 4.545 0 40 EJAB C[C@H](CC(C)(C)c1ccccc1)NC(=O)CCc1ccccc1F 225436029 HXINXWBHSNQXHL-MRXNPFEDSA-N 327.443 4.631 0 40 EJAB CCCC[C@](C)(OC)C(=O)Nc1ccc(OCCC)c(Cl)c1 225621449 UUMZJQWAGYTWGM-KRWDZBQOSA-N 327.852 4.663 0 40 EJAB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccco1 409182491 LONHIAJDSOXJAN-GOSISDBHSA-N 340.762 4.714 0 40 EJAB O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccco1 409182492 LONHIAJDSOXJAN-SFHVURJKSA-N 340.762 4.714 0 40 EJAB Oc1ccc(OCc2ccccc2)cc1-c1c[nH]nc1-c1ccco1 524733731 KYZCMBWWSGDKNY-UHFFFAOYSA-N 332.359 4.621 0 40 EJAB Cc1cc2c(cc1-c1ccnc(N3CCCC3)n1)NC(C)(C)C[C@H]2C 575473072 CHMPGHKWRXJIJY-OAHLLOKOSA-N 336.483 4.750 0 40 EJAB CCc1cc2ccc(C)cc2nc1SCC(=O)NC1CCCCC1 413579 WEUMYTNOUFVDIZ-UHFFFAOYSA-N 342.508 4.647 0 40 EJAB CC(=O)N(CCc1ccccc1)c1nc(-c2ccc(C)cc2)cs1 932674 PNGWNVIJPKUUNQ-UHFFFAOYSA-N 336.460 4.714 0 40 EJAB Cc1ccc(Nc2ncc3c(n2)C[C@H](c2ccccc2)CC3=O)c(C)c1 2395384 JEDDHBUOUCRCHW-KRWDZBQOSA-N 343.430 4.750 0 40 EJAB O=C(Cc1ccccc1)Nc1ncc(Cc2ccc(Cl)cc2)s1 2592765 RIIGYFIYIWTQKN-UHFFFAOYSA-N 342.851 4.569 0 40 EJAB CCCCN(CC)C[C@H](O)COc1cc(C)c(Cl)cc1C(C)C 3395578 NCNVKWBAPUWAEI-INIZCTEOSA-N 341.923 4.634 0 40 EJAB COc1ccc(Cl)cc1C(=O)Nc1ccc(C(F)(F)F)cc1 3566654 FTRIQNZCTUFFPI-UHFFFAOYSA-N 329.705 4.620 0 40 EJAB COc1ccc(NC(=O)Cc2coc3cc(C)ccc23)cc1Cl 3615728 PCSKPVWNSQFZJT-UHFFFAOYSA-N 329.783 4.584 0 40 EJAB Cc1ccc(-c2cs/c(=N/C(=O)c3ccc(Cl)cc3)o2)cc1 5546401 RQOFFQRUKIHIIC-HTXNQAPBSA-N 329.808 4.711 0 40 EJAB Cc1ccc(OCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)cc1 6479682 CODPDMUUYOQNHZ-UHFFFAOYSA-N 335.378 4.965 0 40 EJAB CC[C@H](O)c1nc2ccccc2n1CCCCOc1cccc(C)c1 7548359 GLUOFHVIOCUOLV-FQEVSTJZSA-N 338.451 4.647 0 40 EJAB O=C(NCC12CC3CC(CC(C3)C1)C2)c1cccc(Cl)c1Cl 7804667 OFGFKUJAQALHEW-UHFFFAOYSA-N 338.278 4.940 0 40 EJAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1c(C)cccc1C(C)C 8049306 IALQVYTVNZNAAT-QGZVFWFLSA-N 341.451 4.923 0 40 EJAB O=C(C[C@H]1C=CCC1)Nc1nc2c(Cl)c(Cl)ccc2s1 11378233 LMLWKWSIRRKMKT-QMMMGPOBSA-N 327.236 4.898 0 40 EJAB Cc1ccc(NC(=O)C(C)(C)c2ccccc2)c(Br)c1 12818672 ZULQNVMVKHCQKZ-UHFFFAOYSA-N 332.241 4.674 0 40 EJAB Cc1cc(C)cc(NC(=O)c2ccc(OCc3cscn3)cc2)c1 12988293 UHQHENJSNLOOSL-UHFFFAOYSA-N 338.432 4.591 0 40 EJAB C[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(F)cc1F 13709206 DZVCXIHJCRIWAK-GFCCVEGCSA-N 327.330 4.524 0 40 EJAB Cc1ccc(-n2ncc3c(Nc4ccc(Cl)cc4)ncnc32)cc1C 17120447 WOFLTJTZWGLAGI-UHFFFAOYSA-N 349.825 4.829 0 40 EJAB C[C@@]1(C(=O)Nc2ccccc2N2CCCCCC2)CC1(Cl)Cl 22900369 UOXDFUMQYVDLPV-INIZCTEOSA-N 341.282 4.589 0 40 EJAB C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)c2cccc(Cl)c2)C2CC2)o1 27285671 OFICAEGXWAGWLB-PXAZEXFGSA-N 329.827 4.861 0 40 EJAB CC[C@H](Oc1ccccc1F)C(=O)Nc1nc2ccc(C)cc2s1 27740760 ZMNHLLXDZQSKSX-AWEZNQCLSA-N 344.411 4.540 0 40 EJAB Fc1cc2c(c(COc3ccccc3-c3ccccc3)c1)OCOC2 30496914 FMBIBSCYSLLLNO-UHFFFAOYSA-N 336.362 4.938 0 40 EJAB C[C@H](NC(=O)CSCc1cccs1)c1ccc(Cl)s1 32037832 YEXVXOMLABMUIA-VIFPVBQESA-N 331.915 4.574 0 40 EJAB Cc1ccc(-c2noc(-c3cccc(NC(=O)c4ccco4)c3)n2)cc1 33012740 MGRPJPLVJCIMDM-UHFFFAOYSA-N 345.358 4.557 0 40 EJAB CC(C)(C)c1ccc(NC(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1 40096433 XWKHAIKIEFOFQM-CYBMUJFWSA-N 328.378 4.790 0 40 EJAB Cc1ccc(/C=C/C(=O)N2CCC[C@@H]2CCc2ccccc2)s1 70040746 PAOSNSYGOLBGJS-KAUXGEHWSA-N 325.477 4.694 0 40 EJAB CCCCN1CCCC[C@@H]1c1cccnc1N(C)C(=O)OC(C)(C)C 72214522 PHWHFBXKHRRUPD-QGZVFWFLSA-N 347.503 4.780 0 40 EJAB Cc1nn(C(C)C)c(C)c1NC(=O)Nc1cccc(COC(C)C)c1 72274514 WOVYLPTTZOMCBT-UHFFFAOYSA-N 344.459 4.650 0 40 EJAB Cc1ccc(-c2cc(C(=O)Nc3ccccc3OC(F)F)on2)cc1 73841337 SXJVGNAINVIILA-UHFFFAOYSA-N 344.317 4.504 0 40 EJAB OC1=Nc2c(c(O)nn2C2CCCCC2)[C@H](c2ccsc2)SC1 79464440 XRZVLBACNFAHSW-AWEZNQCLSA-N 349.481 4.580 0 40 EJAB CC(C)[C@H]1SCC(O)=Nc2c1cnn2Cc1ccc(Cl)cc1 79495483 TZRVBDXSUJKWTA-OAHLLOKOSA-N 335.860 4.617 0 40 EJAB O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc2ccccc2c1 80338824 KUSZYYAUATWSGU-UHFFFAOYSA-N 348.442 4.782 0 40 EJAB Fc1ccc(-c2cc(F)ccc2NCc2nnc(C3CC3)o2)cc1 86206169 ZRABWSHDGWZSQH-UHFFFAOYSA-N 327.334 4.504 0 40 EJAB C[C@H](NC(=O)C1c2ccccc2Oc2ccccc21)[C@H]1C[C@@H]2CC[C@@H]1C2 100861089 NWULNUHXJNDWKR-WFXMFSGNSA-N 347.458 4.865 0 40 EJAB CC1(C)CC2=Nc3nonc3N[C@H](c3cccc(Cl)c3)C2=C(O)C1 102748824 JYGFDXYZHIAZNF-CQSZACIVSA-N 344.802 4.594 0 40 EJAB CC(=C\c1ccccc1)/C=C1/SC(=O)N(Cc2ccccc2)C1=O 214039513 OIUHJKHCAZBRHB-PYEASBQRSA-N 335.428 4.869 0 40 EJAB Cc1c(N)cccc1C(=O)O[C@H](C)c1ccc2c3c(cccc13)CC2 216850590 MEQYDJGPLHFVQP-CQSZACIVSA-N 331.415 4.747 0 40 EJAB Cc1ccc(S[C@@H](C)C(=O)NCc2ccc3ccccc3c2)cc1 222750372 YRVGFTQOWHGZJK-INIZCTEOSA-N 335.472 4.945 0 40 EJAB Cc1cc(C)c([C@H](C)NC(=O)COc2ccc(Cl)cc2)cc1C 223392657 ADUFTGKIAMNEKC-HNNXBMFYSA-N 331.843 4.521 0 40 EJAB CC[C@H](NC(=O)c1cc(Cl)ccc1OC)c1ccc(OC)c(C)c1 225042309 OXCXUOSICNZECH-INIZCTEOSA-N 347.842 4.547 0 40 EJAB Cc1ccc(CSc2nnc(Cc3ccc(Cl)cc3)[nH]2)cc1 226299694 JCVWMJPTDTZFPR-UHFFFAOYSA-N 329.856 4.650 0 40 EJAB C[C@H](Cc1cc2ccccc2o1)NC(=O)CCc1cccc(Cl)c1 245015245 LSWCOBRJCDIWAM-CQSZACIVSA-N 341.838 4.766 0 40 EJAB Cc1ccc2cc(Cl)cc(C(=O)N3CC=C(c4ccccc4)C3)c2n1 1566798979 ZDOVVKVYXKSMCL-UHFFFAOYSA-N 348.833 4.736 0 40 EJAB CC(=O)O[C@@]1(c2ccccc2)C[C@H](C(C)(C)C)CN(C(C)(C)C)C1 49434 XENZICQEFWMILM-RXVVDRJESA-N 331.500 4.612 0 40 EJAB CCC(=O)Oc1ccc2c(=O)c(Oc3cc(C)cc(C)c3)coc2c1 98289 VDLYFSJQKKMQCN-UHFFFAOYSA-N 338.359 4.518 0 40 EJAB CCO[P@@](=O)(NC(C)C)SCc1cc(Cl)nc(Cl)c1 163039 PELVPTDHIZASFU-SFHVURJKSA-N 343.216 4.764 0 40 EJAB O=c1c2ccccc2c(-c2ccccc2)nn1Cc1ccc(Cl)cc1 1008918 JESWQTSJOGWRKD-UHFFFAOYSA-N 346.817 4.765 0 40 EJAB Cc1ccc(COc2cc(CSc3ccccc3)nc(C)n2)cc1 1388885 DDFFZNFBLSSQNV-UHFFFAOYSA-N 336.460 4.965 0 40 EJAB CC(C)COC(=O)c1ccc(NC(=O)Nc2ccccc2Cl)cc1 1640240 LVGUDOWIAFQQSW-UHFFFAOYSA-N 346.814 4.797 0 40 EJAB CC(C)(C)c1ccc(-c2nnc3sc(-c4ccccc4)nn23)cc1 2231535 RLMYCWBJHNBYRQ-UHFFFAOYSA-N 334.448 4.817 0 40 EJAB CCCCSc1nnc([C@@H](NC(=O)OC(C)(C)C)[C@H](C)CC)o1 2349006 ZHJGYUQGJGCFPG-NEPJUHHUSA-N 343.493 4.574 0 40 EJAB Cc1ccccc1-n1c(C)cc(/C=C2\N=C3CCCCCN3C2=O)c1C 3193530 QVTXWAUXBBDQBF-RGEXLXHISA-N 347.462 4.558 0 40 EJAB CCOc1ccc([C@H](C)NC(=O)c2cc(C)ccc2C)cc1OCC 3334428 MAFCPFUQWDABCG-INIZCTEOSA-N 341.451 4.592 0 40 EJAB C[C@H](Oc1ccccc1-c1ccccc1)C(=O)N1CCc2ccccc21 3477403 HJYNHBVSFYFJES-KRWDZBQOSA-N 343.426 4.710 0 40 EJAB S=C(Nc1ccc(Cl)cc1)Nc1ccccc1Br 6816055 ZQFIDWFDUKSTPO-UHFFFAOYSA-N 341.661 4.911 0 40 EJAB COc1ccc(Br)cc1CNC(C)(C)CC(C)(C)C 6857353 ONZMSKBKGRKQOG-UHFFFAOYSA-N 328.294 4.762 0 40 EJAB COc1ccc(CNCc2ccccc2OCc2ccccc2)cc1 7538266 QLULBCVHKRIKSZ-UHFFFAOYSA-N 333.431 4.564 0 40 EJAB CCOc1cc(CNC2CC2)ccc1OCc1ccccc1Cl 8254678 RKZKMLDATUYXHX-UHFFFAOYSA-N 331.843 4.570 0 40 EJAB COc1ccc(-c2cc(CN(C)[C@H]3CCCc4ccccc43)on2)cc1 9579038 BNFIZNZOVGWVTO-QFIPXVFZSA-N 348.446 4.860 0 40 EJAB COc1ccc(CCCC(=O)Nc2cccc(SC)c2)cc1C 9615100 DBNKKZWFQSUMRP-UHFFFAOYSA-N 329.465 4.687 0 40 EJAB O=C(Cc1ccccc1)Nc1ccc2oc(Cc3ccccc3)nc2c1 10120069 MBIFLGHNRXIRQP-UHFFFAOYSA-N 342.398 4.600 0 40 EJAB Cc1cc(C(=O)Nc2nc(-c3cccc4ccccc34)cs2)on1 12422383 IRKFFUUDVZGGNP-UHFFFAOYSA-N 335.388 4.512 0 40 EJAB C[C@@H](c1ccco1)N(C(=O)/C=C/c1cccc(F)c1)c1ccccn1 12526728 JICPCPSIZNONQN-NKSUMMKUSA-N 336.366 4.621 0 40 EJAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCCc1ccccc1 13675866 MTEVEUCJMFZQGU-QGZVFWFLSA-N 339.479 4.500 0 40 EJAB Cc1cccc(NC(=O)NCc2ccc(-c3csc(C)n3)cc2)c1 14016525 BUBVSSSWDVLHPN-UHFFFAOYSA-N 337.448 4.749 0 40 EJAB O=[P@]1(Oc2ccccc2)OC[C@@H]2S[C@H](c3ccccc3)C[C@H]2O1 16958775 RTCKBOBBKWDKGC-TXXWUTRGSA-N 348.360 4.836 0 40 EJAB Cc1ccc(CCCNC(=O)[C@@H](C)Oc2ccccc2C(C)C)cc1 20492471 UACKXAMMXUOULN-GOSISDBHSA-N 339.479 4.635 0 40 EJAB COCc1c(C(=O)Nc2ccc(F)cc2Cl)oc2ccccc12 21356607 DYLVEHMRUBZIDV-UHFFFAOYSA-N 333.746 4.624 0 40 EJAB Cc1cccc(NC(=O)c2sc(Nc3ccc(F)cc3)nc2C)c1 22245740 ARMKLHDHVHAELE-UHFFFAOYSA-N 341.411 4.895 0 40 EJAB Cc1nc2cc(N[C@H](C)C(=O)Nc3ccccc3C(C)C)ccc2o1 24927612 QFGIXBHNQMHFNL-CYBMUJFWSA-N 337.423 4.699 0 40 EJAB O=C(N[C@@H]1CCCC[C@@H]1C(F)(F)F)c1cc(Cl)ccc1Cl 25047739 FHHKPKHQHZSQQJ-CMPLNLGQSA-N 340.172 4.844 0 40 EJAB CCOc1cccc(CNC(=O)CCSc2ccc(Cl)cc2)c1 30860358 UEKDBQTVDVNLAW-UHFFFAOYSA-N 349.883 4.537 0 40 EJAB CCc1ccc2c(CN3CCC[C@H]3c3ccccc3)cc(=O)oc2c1 57531670 LEQNXKZEOMOQKJ-FQEVSTJZSA-N 333.431 4.693 0 40 EJAB Cc1nn(C)c(C)c1[C@@H](C)C(=O)Nc1ccc2c(c1)oc1ccccc12 58356848 JCGPYVGAZLARJE-GFCCVEGCSA-N 347.418 4.679 0 40 EJAB Cc1ccc([C@H](C)NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1C 59351137 LSUJQQIUTYOPJD-GJZGRUSLSA-N 331.843 4.602 0 40 EJAB Cc1ccc([C@H](C)NC(=O)COc2cccc3ccccc23)cc1C 59351188 IQATVSWYKSOPHJ-KRWDZBQOSA-N 333.431 4.713 0 40 EJAB C[C@@H](N[C@@H]1CCCOc2c1ccc1ccccc21)c1nc(C2CC2)no1 95409402 CXGLIZXCGFGMOC-FZKQIMNGSA-N 349.434 4.665 0 40 EJAB Cc1cc([C@H](O)c2ccccc2Br)cc(C)c1Cl 95730144 WSCLBKOYDYSTHS-HNNXBMFYSA-N 325.633 4.801 0 40 EJAB CC(=O)/N=c1\scc(-c2ccccc2)n1-c1cccc2ccccc12 100840879 SMAQPHCUVUSBRU-DQRAZIAOSA-N 344.439 4.806 0 40 EJAB O=C(Cc1cccs1)N1CCCC[C@H](c2ccc(Cl)cc2)C1 206878036 HCXGLTFJBNCQPR-HNNXBMFYSA-N 333.884 4.740 0 40 EJAB CCc1ccc(CC)c(CNC(=O)CSCc2ccc(F)cc2)c1 222704593 PMYSTPZEUBGQFZ-UHFFFAOYSA-N 345.483 4.500 0 40 EJAB O=C(CSCc1ccc(Cl)cc1F)Nc1c(F)cccc1F 224967658 ONJFICXGVCGNGW-UHFFFAOYSA-N 345.773 4.629 0 40 EJAB COc1cc(COc2ccccc2C=O)ccc1OCc1ccccc1 408538992 DCMVYECGYKJJLR-UHFFFAOYSA-N 348.398 4.666 0 40 EJAB Clc1c(-c2nnc([C@H]3CC34CCOCC4)o2)sc2ccccc12 521393856 FVCHKLCRHZYURW-LLVKDONJSA-N 346.839 4.889 0 40 EJAB O=C1OC(c2ccccc2Cl)=N/C1=C\c1ccc2ccccc2c1 28006 YBSVSQVJIJOXCJ-PDGQHHTCSA-N 333.774 4.838 0 40 EJAB O=C(COc1ccc(Cl)cc1)Nc1ccc(Cl)cc1Cl 574405 JZDJGBVCNPJTPC-UHFFFAOYSA-N 330.598 4.664 0 40 EJAB COC(=O)Cc1sc(-c2ccccc2Cl)nc1-c1ccccc1 1392076 BCWCVRXYGNQYOF-UHFFFAOYSA-N 343.835 4.846 0 40 EJAB C[C@H](C(=O)O)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 2097326 NPBNRBWMDNZEBN-FCBHBDPGSA-N 346.511 4.647 0 40 EJAB O=C(CCCSc1nc2ccccc2[nH]1)Nc1ccc(Cl)cc1 2631107 SGCDCLBLVOZRHR-UHFFFAOYSA-N 345.855 4.727 0 40 EJAB Cc1nn(-c2cccc(Cl)c2)c2nc3c(cc12)C(=O)CC(C)(C)C3 3257836 DAXNXLNFQQXQPW-UHFFFAOYSA-N 339.826 4.537 0 40 EJAB COc1cccc([C@H]2Nc3ccc(C(=O)O)cc3[C@H]3[C@H]4CC[C@H](C4)[C@H]23)c1 4622524 GAHFOJIJYCNZSE-CSVDZTNQSA-N 349.430 4.690 0 40 EJAB C[C@]1(O)CC[C@H]2[C@@H]3CC=C4C(F)(F)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 4720878 XRZWBBRIKOQLPC-TULRTYAESA-N 338.438 4.515 0 40 EJAB biogenic,in-vitro Cc1ccn2c(Nc3ccc4c(c3)OCO4)c(-c3ccccc3)nc2c1 4735069 ODBHVJFEEMXWJD-UHFFFAOYSA-N 343.386 4.782 0 40 EJAB CSc1cccc(N[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)c1 5689604 XFUUUSJNNFXPLS-JTQLQIEISA-N 338.835 4.640 0 40 EJAB COc1cccc(-c2nc(COC(=O)c3ccc(C)s3)cs2)c1 5975458 AGIMQYVJUKMWRR-UHFFFAOYSA-N 345.445 4.546 0 40 EJAB Cc1cc(OCC(=O)NCCc2ccccc2)c(C(C)C)cc1Cl 6231189 UISARWLNYHJFEE-UHFFFAOYSA-N 345.870 4.510 0 40 EJAB C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1cccc(Cl)c1Cl 6586179 LBNBVLUDAPVZMC-ZGVOAXKLSA-N 337.250 4.595 0 40 EJAB Clc1ccc(OCCCSc2nc(-c3ccccc3)n[nH]2)cc1 7833373 PDGQKJVTDMVMRO-UHFFFAOYSA-N 345.855 4.686 0 40 EJAB Cc1ccc([C@@H]2Nc3ccccc3C(=O)N2[C@H](C)c2ccccc2)o1 8160178 NPBZZUSYPKCCOE-FOIQADDNSA-N 332.403 4.916 0 40 EJAB O=c1nc(SCc2ccccc2)[nH]c2sc3c(c12)CCCCC3 8739361 AOVLVNGULYFDAZ-UHFFFAOYSA-N 342.489 4.546 0 40 EJAB O=C(Nc1ccccc1)N(Cc1ccc(Cl)cc1)c1ccccn1 9251032 FNXRBLZZZRUARH-UHFFFAOYSA-N 337.810 4.974 0 40 EJAB CCOc1cccc(NC(=O)COc2cc(C)ccc2C(C)C)c1 9816603 NUFGDYKREUKWEP-UHFFFAOYSA-N 327.424 4.535 0 40 EJAB Cc1ccc(C(=O)Nc2cccc(CNCc3ccccc3)c2)cc1 14137403 PHNONXOZZLZRTI-UHFFFAOYSA-N 330.431 4.537 0 40 EJAB CC1CCN(c2ccc(NC(=O)c3ccc(F)cc3)cc2Cl)CC1 14268865 KNHWVWVGDPLTFC-UHFFFAOYSA-N 346.833 4.968 0 40 EJAB CC(=O)Nc1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1 18172505 WZVABBFNOKGMDK-UHFFFAOYSA-N 338.194 4.596 0 40 EJAB Cc1nc(-c2cccs2)c(CCC(=O)Nc2cccc(F)c2)s1 19819585 JECFGIMNIGKIAG-UHFFFAOYSA-N 346.452 4.890 0 40 EJAB C[C@@H]1CCCN(Cc2ccc(C(=O)Nc3cccc(Cl)c3)cc2)C1 20110773 GBRHKKAGLPJOOB-OAHLLOKOSA-N 342.870 4.824 0 40 EJAB Cc1ccc(OCCCC(=O)Nc2ccc(C)c3ncccc23)cc1 24842470 GGAGICSESMMRSJ-UHFFFAOYSA-N 334.419 4.649 0 40 EJAB CC(C)(C)C(=O)Nc1ccc(NC(=O)CCCc2cccs2)cc1 25053457 MMTMCEGPQFORDU-UHFFFAOYSA-N 344.480 4.694 0 40 EJAB Cc1ccccc1O[C@@H](C)C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 38773026 PFJNIQZVOLMRBV-IRXDYDNUSA-N 339.479 4.937 0 40 EJAB O=C(Cc1cccc(-c2nc3ccccc3s2)c1)N1CCCCC1 41127635 GTXUJZLBFCKYQH-UHFFFAOYSA-N 336.460 4.518 0 40 EJAB COc1cc(NC(=S)Nc2cccc(C(C)C)c2)cc(OC)c1 71760685 GYWDEULSCDNMPF-UHFFFAOYSA-N 330.453 4.636 0 40 EJAB Cc1noc(C)c1CC(=O)N(C1CC1)[C@H](C)c1cccc2ccccc12 78872859 XTXORNYPRGFVSL-OAHLLOKOSA-N 348.446 4.739 0 40 EJAB C[C@H](NC(=O)N(C)[C@H]1CCc2ccccc21)c1ccc2c(c1)CCCC2 84651755 LTZHVWHWMAGPDX-AOMKIAJQSA-N 348.490 4.955 0 40 EJAB Clc1cc2c(s1)CC[C@@H]2NCc1ccnc(OC2CCC2)c1 90912190 SGLNLKHZTJSSFT-AWEZNQCLSA-N 334.872 4.505 0 40 EJAB O=C(c1cccc(Cl)c1)N1CCS[C@@H](c2ccccc2F)CC1 219091272 CBZGRDRJYDIRBI-QGZVFWFLSA-N 349.858 4.800 0 40 EJAB CC[C@H](NC(=O)[C@H](C)Oc1ccc(C)c(C)c1)c1ccc(C)c(C)c1 219519715 XNSOGNWLGFGLIR-RXVVDRJESA-N 339.479 4.955 0 40 EJAB CC[C@H](Oc1cccc(C)c1)C(=O)NCc1cccc2ccccc12 222872312 QIPCKNWRRYAOQV-NRFANRHFSA-N 333.431 4.622 0 40 EJAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1cc(C)ccc1OC 223010982 AUFRJOYRMRISQS-QGZVFWFLSA-N 347.842 4.762 0 40 EJAB CCc1ccc(NC(=S)N[C@@H]2CCCc3cc(OC)ccc32)cc1 225702870 SRQRXCAGPJFHPU-LJQANCHMSA-N 340.492 4.622 0 40 EJAB O=C(O)c1ccccc1-c1cnc(Cn2ccc3ccccc32)s1 257260226 LBWMPPNWUITPOI-UHFFFAOYSA-N 334.400 4.511 0 40 EJAB NC(=O)/C=C\c1ccc(OCc2cccc3ccccc23)c(Cl)c1 409416246 QSXIHXOELWYUGR-LUAWRHEFSA-N 337.806 4.571 0 40 EJAB Cc1ccccc1NC(=O)NCC(c1ccccc1)c1ccccc1 505594812 XXYITFQYBLWCRW-UHFFFAOYSA-N 330.431 4.949 0 40 EJAB CC(C)Cc1ncc(C(=O)N2[C@@H](C)Cc3cc(F)ccc3[C@H]2C)s1 1518646952 TZHNQYJSQBDDCT-QWHCGFSZSA-N 346.471 4.629 0 40 EJAB O=C(Nc1ccc(F)cc1)c1cccc2c(Br)cccc12 284016 IWPKZYCVJSKRQN-UHFFFAOYSA-N 344.183 4.994 0 40 EJAB CC(=O)N(CC[C@@]1(C(C)C)CCOC(C)(C)C1)Cc1ccccc1 489502 PABJIANJXAGUDR-OAQYLSRUSA-N 331.500 4.657 0 40 EJAB CCOC(=O)c1sc(NC(=S)Nc2ccc(C)c(C)c2)cc1C 3285089 PQMAVWOUIDTJDH-UHFFFAOYSA-N 348.493 4.659 0 40 EJAB CCOc1ccc(NC(=O)CSc2ccccc2C)cc1OCC 3417935 VOJIKGJFAGMTFP-UHFFFAOYSA-N 345.464 4.523 0 40 EJAB CSc1ccccc1C(=O)Nc1nc2cc(C)cc(C)c2s1 4517457 ZNHPCHMWVUBRHA-UHFFFAOYSA-N 328.462 4.887 0 40 EJAB Cc1ccc(/C=C(\Cl)c2nc3sc(C)c(C)c3c(=O)[nH]2)s1 5903762 AZVUIKTVUAJLKS-WDZFZDKYSA-N 336.869 4.708 0 40 EJAB COc1ccc(CNCc2ccc(OCc3cccs3)cc2)cc1 7538616 WMTCCMWZWGVYDV-UHFFFAOYSA-N 339.460 4.626 0 40 EJAB Cc1cccc(N(CC(=O)c2ccc(Cl)cc2)C2=NCCCC2)c1 8414534 SVGYARIWIKGHSN-UHFFFAOYSA-N 340.854 4.920 0 40 EJAB O=C(CSCc1ccccc1)Nc1nc(-c2cccs2)cs1 10591012 SRIUKWLCHUIIFD-UHFFFAOYSA-N 346.502 4.744 0 40 EJAB CC[C@H]1CN(CCc2ccccc2)Cc2cc3cccc(C)c3nc2O1 13563870 ROEZGJAWTWQICA-NRFANRHFSA-N 346.474 4.759 0 40 EJAB Cc1ccc(CN(C)C(=O)c2ccc(-c3ccc(F)cc3)s2)o1 14129247 SZFOOKNUKKRWOE-UHFFFAOYSA-N 329.396 4.728 0 40 EJAB CC(=O)c1c(C)[nH]c(-c2csc(COc3ccc(F)cc3)n2)c1C 16941273 ZZKJPEWJPMPCQW-UHFFFAOYSA-N 344.411 4.676 0 40 EJAB CCc1ccc([C@@H](C)NC(=O)/C=C\c2ccc(OC(C)C)cc2)cc1 17070933 RITKAUCCLRLAAR-XBNGYDHASA-N 337.463 4.927 0 40 EJAB O=C(Nc1ccc(-c2nccs2)cc1)c1cccc(-n2cccc2)c1 17590685 INAOHKPNHHIVMH-UHFFFAOYSA-N 345.427 4.853 0 40 EJAB Cc1c(C(=O)NCCOc2ccccc2)oc2c1ccc1ccccc12 17849787 WPGGUCUHAMPOTL-UHFFFAOYSA-N 345.398 4.703 0 40 EJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(OC(C)C)cc1 20488016 GFZLCYSGFNUUIY-HXUWFJFHSA-N 341.451 4.887 0 40 EJAB CC(C)(C)c1ccc2cc(C(=O)N3CCC[C@H]3c3ccncc3)[nH]c2c1 29789863 VFWWZSMJMMOBBA-FQEVSTJZSA-N 347.462 4.838 0 40 EJAB CC1(C)C[C@H](NCC[C@@](C)(c2ccccc2)c2cccs2)CCO1 32093804 PHVYRZUFYKXMPO-NQIIRXRSSA-N 343.536 4.991 0 40 EJAB Cc1ccsc1CNC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 58404287 SLLUYDCRVAOTKZ-UHFFFAOYSA-N 334.444 4.949 0 40 EJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccc(C)c(C)c1 59351331 UVPOHXMFEYIHOQ-HNAYVOBHSA-N 345.870 4.992 0 40 EJAB CCn1c2ccccc2c2cc(NC(=O)Cc3cccc(O)c3)ccc21 63535665 ZWSABTQVMKHTCO-UHFFFAOYSA-N 344.414 4.701 0 40 EJAB CCCCn1c(SCc2ccccc2C)nc2ccccc2c1=O 67259686 AAUMVZAHQHDGMP-UHFFFAOYSA-N 338.476 4.797 0 40 EJAB COc1cccc(CN(C)C(=O)c2sc3ccccc3c2Cl)c1 68745922 GGJZYQSUOFWIIF-UHFFFAOYSA-N 345.851 4.836 0 40 EJAB Cc1nc(Cl)ccc1[C@@H]1CCCN1C(=O)OCc1ccccc1 72217895 DTNRGXFYDJLMMB-INIZCTEOSA-N 330.815 4.517 0 40 EJAB CC(C)(C)n1cc(NC(=O)C2c3ccccc3Oc3ccccc32)cn1 95956733 AWDQFLCNPWCZMV-UHFFFAOYSA-N 347.418 4.514 0 40 EJAB Cc1cccc([C@H](NC(=S)Nc2ncccc2C)c2ccccc2)c1 225701454 SOBLPSYWUHYNLI-LJQANCHMSA-N 347.487 4.774 0 40 EJAB CC(C)c1ccc(NC(=O)Nc2ccc3c(c2)CCCC(=O)N3)cc1 252492122 MDHJHDNWDHCAFU-UHFFFAOYSA-N 337.423 4.729 0 40 EJAB O=C(COCc1ccccc1)c1cc(C(F)(F)F)ccc1Cl 310007882 IRQPRRFWGOFKKN-UHFFFAOYSA-N 328.717 4.758 0 40 EJAB C[C@H](Cc1csc2ccccc12)NC(=O)c1ccccc1Cl 575621840 VWSHXCJBYBGIBZ-GFCCVEGCSA-N 329.852 4.916 0 40 EJAB O=C(NC[C@@H](c1ccco1)c1cccs1)c1ccccc1Cl 585146791 QDRSMQROQIXYBC-ZDUSSCGKSA-N 331.824 4.556 0 40 EJAB O=C(O)c1cc(-c2ccccc2)nc2cc(Br)c(F)cc12 1857793837 FCLJOAPZRBWWHR-UHFFFAOYSA-N 346.155 4.502 0 40 EJAB CCOC(=O)c1cnc2c(Cl)cccc2c1Nc1ccccc1 139722 DHLDXXJPACVVPZ-UHFFFAOYSA-N 326.783 4.809 0 40 EJAB CCOc1cc(Cl)c(NC(=O)c2ccc(F)cc2)cc1OCC 387919 ONEGCFPZYJBDBE-UHFFFAOYSA-N 337.778 4.529 0 40 EJAB COc1cc2cc(C)c(SCc3ccc(F)cc3)nc2cc1OC 415760 GGRPHWQZVDOWPZ-UHFFFAOYSA-N 343.423 4.992 0 40 EJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N1CCc2ccccc21 1001673 KBWYGSSECXLYSO-OAQYLSRUSA-N 331.415 4.587 0 40 EJAB O=C(c1cccc(Cl)c1)N1CCCC(c2ccc(Cl)cc2)=N1 1401008 GRJNABPGYLAGPR-UHFFFAOYSA-N 333.218 4.634 0 40 EJAB Brc1ccc(NNc2ccc(Br)cc2)cc1 1556203 OXAFDXWMDZZORA-UHFFFAOYSA-N 342.034 4.651 0 40 EJAB CC[C@H](C)c1ccc(NC(=O)COC(=O)c2cc(C)cc(C)c2)cc1 2617180 OBXGJLGMGAKIRO-INIZCTEOSA-N 339.435 4.612 0 40 EJAB CCCCOc1ccc(C(=O)NCc2ccc3[nH]c(C)cc3c2)cc1 4138023 HERSUAYRODHOFL-UHFFFAOYSA-N 336.435 4.585 0 40 EJAB CC(C)c1ccc(C(=O)Cn2cnc3ccccc3c2=O)c(C(C)C)c1 7268843 HEEOBZYWJCBBQU-UHFFFAOYSA-N 348.446 4.526 0 40 EJAB Cc1ccc(-c2nc(COC(=O)c3c(F)cccc3F)cs2)cc1 7651134 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4.650 0 40 EJAB Fc1cccc(C[C@H]2CCCN2Cc2cc(F)cc3cccnc23)c1 84372411 WWLQFPMMNQGYPR-HXUWFJFHSA-N 338.401 4.720 0 40 EJAB O=C(CCc1ccccc1)N(CCc1cccs1)Cc1ccoc1 90612303 AVVXKCKHNGYDJM-UHFFFAOYSA-N 339.460 4.545 0 40 EJAB CO[C@H]1CC2(CCN(Cc3ccc(F)cc3)CC2)c2ccc(C)cc21 96100195 MQNRSTFMNOKCLC-NRFANRHFSA-N 339.454 4.759 0 40 EJAB COc1ccc([C@@H](C)N[C@@H](C)c2cc(C)sc2C)cc1NC(C)=O 96476498 GNXZAMQTLRWCFV-OLZOCXBDSA-N 346.496 4.744 0 40 EJAB CC[C@H](NC(=O)c1ccc(OC(C)C)cc1)c1ccc(C)cc1C 218985386 IIKBELMJVVKYSE-FQEVSTJZSA-N 325.452 4.972 0 40 EJAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H](C)c1ccccc1 223005488 PPOJEVRULPEEAL-KDOFPFPSSA-N 331.843 4.683 0 40 EJAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)c1 225133798 ODAXKPJJCNQIGN-MSOLQXFVSA-N 339.479 4.806 0 40 EJAB CCC1(CC)C[C@@H](NC(=O)Cc2ccccc2F)c2ccccc2O1 225444108 AKRWLKHPVPXTHX-GOSISDBHSA-N 341.426 4.567 0 40 EJAB CCCOc1ccc(NC(=O)[C@@](C)(CC)OCCC)cc1Cl 225733106 NEYTVNQLHUZXGI-QGZVFWFLSA-N 327.852 4.663 0 40 EJAB 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Cc1ccc(C)c(NC(=O)c2ccc(CN3CCCCCC3)cc2)c1 38833432 XBMFKKIAXSUNOB-UHFFFAOYSA-N 336.479 4.932 0 40 EJAB CCc1ccc(CN(C)CCCC(=O)Nc2c(C)cccc2C)cc1 40461099 KBGSMXQLGOOHEP-UHFFFAOYSA-N 338.495 4.717 0 40 EJAB Cc1c(Cl)cccc1NC(=O)NC1CCC(C(F)(F)F)CC1 43174425 JYXGROISVJBLLI-UHFFFAOYSA-N 334.769 4.891 0 40 EJAB CCn1cc(NC(=O)Nc2ccc3c(c2)c2ccccc2n3CC)cn1 70012957 ZIVQWJMHXXZEAB-UHFFFAOYSA-N 347.422 4.675 0 40 EJAB CC(C)n1cc([C@H](C)N[C@@H](C)c2cccc(Br)c2)cn1 95962850 WEWNFUXQMYODCN-STQMWFEESA-N 336.277 4.638 0 40 EJAB C[C@H]1C[C@H]2CC(=O)[C@H](C)C[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]3(C)O)[C@H]12 118929446 PYTJFKXDHIGLJZ-HQDOWPHXSA-N 332.528 4.841 0 40 EJAB COc1ccc(C(=O)CCc2ccccc2C(F)(F)F)cc1F 199731902 VWSHHMQYSPLLPO-UHFFFAOYSA-N 326.289 4.669 0 40 EJAB COc1cccc(-c2nc3cc(Br)cc(Cl)c3[nH]2)c1 216917171 LHAHDFQLDWYDTC-UHFFFAOYSA-N 337.604 4.654 0 40 EJAB CCCO[C@H](CC(=O)O)c1ccc(OCc2ccccc2C)cc1 217807005 OUWNNCXYEYRKHK-LJQANCHMSA-N 328.408 4.516 0 40 EJAB 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O=C(Nc1ccccc1N1CCCC1)[C@@H]1C[C@H]1c1cccc(Cl)c1 84506020 ZDLWMMOJQWNNMU-DLBZAZTESA-N 340.854 4.682 0 40 EJAB C[C@H](Sc1ccccc1)C(=O)Nc1ccc(Cc2ccncc2)cc1 223410496 KSTUYZUBIHALLD-INIZCTEOSA-N 348.471 4.792 0 40 EJAB O=C(O[C@@H](c1ccccc1)c1nccc2ccccc12)c1ccco1 135030 QDKUCYDTACUCQE-FQEVSTJZSA-N 329.355 4.774 0 40 EJAB O=C(c1ccccc1CN1CCCCC1)c1ccccc1C(F)(F)F 2515519 IIAJCRVUDSFDJG-UHFFFAOYSA-N 347.380 4.922 0 40 EJAB Cc1ccc2[nH]c(S[C@H](C)c3nnc(-c4ccccc4)o3)nc2c1 5165187 VMQVLDNZRFWDDH-GFCCVEGCSA-N 336.420 4.775 0 40 EJAB C[C@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)c1ccc(Cl)cc1 5400151 YRAAMEPDWOIOCK-JTQLQIEISA-N 347.871 4.507 0 40 EJAB COc1ccccc1CC(=O)Nc1ccccc1Oc1ccc(C)cc1 7814014 BOCAHYNGRFGZNE-UHFFFAOYSA-N 347.414 4.977 0 40 EJAB Cc1cccc(C(C)C)c1NC(=O)CN1CCc2sccc2[C@H]1C 7878422 DTTWXKSSHLBTKN-OAHLLOKOSA-N 342.508 4.738 0 40 EJAB Cc1ccc(F)c(NC(=S)Nc2cccc(Br)c2)c1 8104865 PQIURHDGNYTMSD-UHFFFAOYSA-N 339.233 4.706 0 40 EJAB COc1ccc2ccccc2c1-c1nnn2cc(C(F)(F)F)ccc12 8782872 ZZCMXROGAKULPN-UHFFFAOYSA-N 343.308 4.577 0 40 EJAB S=C(Nc1ccccc1)Nc1ccc(-c2cn3ccccc3n2)cc1 10184487 GASQQYIMSLWTII-UHFFFAOYSA-N 344.443 4.810 0 40 EJAB CC(=O)N[C@H](C)c1ccc(C(=O)c2cc3cc(Cl)ccc3o2)cc1 11164175 DTJYTESLLYSTCY-LLVKDONJSA-N 341.794 4.514 0 40 EJAB Cc1ccc(NC(=O)[C@H](C)Sc2cc(-c3ccccc3)ncn2)cc1 11903090 QOQQUBYJHLVGKF-HNNXBMFYSA-N 349.459 4.571 0 40 EJAB Cc1oc(-c2ccccc2)nc1COC(=O)/C=C/c1ccccc1F 12241348 ATJWCNZUHVFLCA-VAWYXSNFSA-N 337.350 4.546 0 40 EJAB CCCOc1ccc(/C=C2/C(=O)Nc3cc(Cl)ccc32)cc1OC 13042559 ZFCMWTCARMMDOQ-OQLLNIDSSA-N 343.810 4.630 0 40 EJAB CC(C)N[P@](=O)(O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)c1ccccc1 13301213 ADULCGJWFWMRGU-OSJYTEGDSA-N 337.444 4.980 0 40 EJAB CCCCn1nc(C)c2c(C(F)(F)F)cc(-c3ccc(O)cc3)nc21 13961156 RABXSTJYOFRVTA-UHFFFAOYSA-N 349.356 4.931 0 40 EJAB O=C(c1ccc(F)c(F)c1)N1CCC[C@H]1c1nc2ccccc2s1 15541967 JVNNBNRYPXABJH-HNNXBMFYSA-N 344.386 4.552 0 40 EJAB O=C(Nc1ccccc1F)c1cc(-c2ccncc2)nc2ccccc12 16740471 LQJISXKNZPXEJA-UHFFFAOYSA-N 343.361 4.688 0 40 EJAB O=C(CSCc1ccc(Cl)s1)Nc1cccc2cccnc12 23120885 AMKMTOCAFXOVRX-UHFFFAOYSA-N 348.880 4.822 0 40 EJAB C[C@H](NCc1cccc2cccnc12)c1ccccc1Br 23624447 BRUHRGSDOTWTMK-ZDUSSCGKSA-N 341.252 4.848 0 40 EJAB Cc1nc(-c2ccccc2)ccc1C(=O)N1CCC[C@@H]2CCCC[C@H]21 24884471 WGNZALMLOFEMRF-GHTZIAJQSA-N 334.463 4.852 0 40 EJAB Clc1cccc(Cl)c1OCc1noc(-c2ccsc2)n1 32765464 WMOBVRMMSFRQDR-UHFFFAOYSA-N 327.192 4.684 0 40 EJAB Cc1ccc(N(Cc2ccco2)C(=O)c2ccc3ccccc3n2)cc1 36776056 WSFKQYPALIPQRW-UHFFFAOYSA-N 342.398 4.983 0 40 EJAB CC[C@@H](C)Nc1cc(C)nc2c(C)c(-c3ccc(Cl)cc3)nn12 40217023 FPRRLMTYMRKRHT-LLVKDONJSA-N 328.847 4.877 0 40 EJAB CC(C)c1ccc(C(=O)NCc2cccc(Br)c2)cc1 70140588 GRELJVBQUHXJAV-UHFFFAOYSA-N 332.241 4.503 0 40 EJAB C[C@H](NC(=O)/C=C/c1ccc(Cl)cc1Cl)[C@H]1C[C@H]2CC[C@H]1C2 107450069 LYTBYJYOGOTVFB-VESXBTCJSA-N 338.278 4.948 0 40 EJAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)CC(=O)C[C@@H]32)C1 118927274 RAVPGOUPQFSNSA-YFNNHKTPSA-N 332.484 4.530 0 40 EJAB CC(=O)O[C@@H]1C[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]2(C)C1=O 118929895 BQNVVPPVBZECMC-IFQWWAKBSA-N 332.484 4.530 0 40 EJAB CC[C@H](Oc1ccccc1F)C(=O)N[C@@H](CC(C)C)c1ccccc1 219577923 UQCHUGOKJRNURH-OALUTQOASA-N 343.442 4.887 0 40 EJAB COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(C)c(C)c2)cc1 225291453 ZDLCLNAKHKRQLF-HXUWFJFHSA-N 325.452 4.829 0 40 EJAB COc1ccccc1[C@H](C)NC(=O)/C(=C/c1ccco1)c1ccccc1 225757494 VFQJFDOLGAMBHW-WLVMFVESSA-N 347.414 4.706 0 40 EJAB CCc1ccc(-n2c(C)nnc2SCc2cccc(F)c2)cc1 409098584 IVYNIBWHWHSUKT-UHFFFAOYSA-N 327.428 4.570 0 40 EJAB Clc1ccc(CSc2nnc(-c3cccnc3)o2)c(Cl)c1 411165 XXKIGMQANOIGJJ-UHFFFAOYSA-N 338.219 4.731 0 40 EJAB Cc1ccc2nc(-c3ccc(Cl)cc3)c(NC[C@@H]3CCCO3)n2c1 417512 NKRCJDJUXGKBHC-INIZCTEOSA-N 341.842 4.554 0 40 EJAB O=C(Nc1cccc2ccccc12)N1CCCC[C@H]1c1cccnc1 519798 XKQCNVALTXDQFY-FQEVSTJZSA-N 331.419 4.994 0 40 EJAB biogenic Cc1c(Cl)cccc1NC(=O)c1ccc(OC(F)(F)F)cc1 2639460 ORHBKRZEPRQQDP-UHFFFAOYSA-N 329.705 4.799 0 40 EJAB CCCCC1CCC(c2ccc(C(=O)N3CCOCC3)cc2)CC1 3012113 GGLWVTLUACPZFL-UHFFFAOYSA-N 329.484 4.623 0 40 EJAB Cc1c(-c2ccccc2)c(=O)oc2cc(OC(=O)c3ccco3)ccc12 4340139 VOGGSTAOLWROBD-UHFFFAOYSA-N 346.338 4.581 0 40 EJAB biogenic CC(C)(C)c1ccc(C(=O)NCCSCc2ccccc2)cc1 4690875 GDNIJQWXMQFAGR-UHFFFAOYSA-N 327.493 4.647 0 40 EJAB Cc1ccc(NC(=O)c2cc(=O)c3ccc(C)c(C)c3o2)cc1Cl 6811357 HEAHWJAJSRGOIB-UHFFFAOYSA-N 341.794 4.624 0 40 EJAB Fc1ccc(COc2ccc(Cl)cc2CNCc2ccco2)cc1 7523700 QMKGFNBTXGZZCU-UHFFFAOYSA-N 345.801 4.941 0 40 EJAB COc1cc(C=O)cc(Cl)c1OCc1c(F)cccc1Cl 8470177 VJGGCAGRZAHHFV-UHFFFAOYSA-N 329.154 4.533 0 40 EJAB COc1ccc(N(Cc2cccs2)C(=O)c2ccccc2C)cc1 8586669 HYKAFVJOBNNYPW-UHFFFAOYSA-N 337.444 4.912 0 40 EJAB Cc1cc2occ(CC(=O)N[C@@H](c3ccccc3)C3CC3)c2cc1C 11213840 BIMIMQNBYJCRNG-QFIPXVFZSA-N 333.431 4.860 0 40 EJAB O=C(CC12CC3CC(CC(C3)C1)C2)Nc1cc2c(cc1Cl)OCO2 14244874 PQEVKZYQAIBAEE-UHFFFAOYSA-N 347.842 4.614 0 40 EJAB Cc1cc(CNC(=O)c2ccc(-c3ccc(Cl)cc3)o2)ccc1F 14707179 ZCKWWWVPAAKIDL-UHFFFAOYSA-N 343.785 4.978 0 40 EJAB S=C(NCCSCc1ccccc1)Nc1cccc(Cl)c1 18162784 ICUJWPVCALVNER-UHFFFAOYSA-N 336.913 4.560 0 40 EJAB CCc1cccc(CC)c1NC(=O)[C@H](C)Oc1cccc(C)c1C 20459812 LZTJEHURNJOKRX-INIZCTEOSA-N 325.452 4.834 0 40 EJAB Cc1cc(C)cc(-n2ccnc2S[C@H](C)c2nc(C(C)C)no2)c1 27810948 DGAWRKJBNGKHAR-CQSZACIVSA-N 342.468 4.849 0 40 EJAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(OC)c(Cl)c1 30852845 SBZGRXRMEYMPFX-MRXNPFEDSA-N 347.842 4.762 0 40 EJAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)[C@]1(C)CC1(Cl)Cl 32754304 OSFITVDRVXRQIQ-BONVTDFDSA-N 326.223 4.536 0 40 EJAB COc1ccc([C@H]2CCCN2C(=O)Nc2cccc3cnccc23)cc1 43162301 ALQKGPZJVHVPEQ-HXUWFJFHSA-N 347.418 4.612 0 40 EJAB O=C(Nc1nc2ccccc2s1)N[C@H](c1ccccc1)c1ccco1 58377716 YJFMACCQDOWFHY-QGZVFWFLSA-N 349.415 4.800 0 40 EJAB Cc1cc2nc(N[C@H](C)c3ccc(F)c(F)c3)c3ccccc3n2n1 58401837 CDACPPCTBWGAJT-GFCCVEGCSA-N 338.361 4.642 0 40 EJAB Cc1ccc(NC(=O)c2cc(-c3ccccc3C)on2)cc1Cl 61997084 SDNFSSXIIBXPFJ-UHFFFAOYSA-N 326.783 4.864 0 40 EJAB C[C@@H](c1cccc(O)c1)N(C)C(=O)Nc1ccccc1C(F)(F)F 67408139 IRCNKZDQTOYBNC-NSHDSACASA-N 338.329 4.636 0 40 EJAB CCOc1ccc(OCC)c(NC(=S)Nc2ccc(F)cc2C)c1 71761136 QKMQXMOQKKRDGB-UHFFFAOYSA-N 348.443 4.740 0 40 EJAB CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(F)cc(F)c1 71844335 XKTUJWNLQILUCO-OALUTQOASA-N 329.390 4.763 0 40 EJAB O=C(Nc1cccc(F)c1)N(CCc1ccccc1)C1CCCC1 72278451 OLEUYNMHCTXBSX-UHFFFAOYSA-N 326.415 4.845 0 40 EJAB CC[C@H](C)n1nc(NC(=O)Cc2ccc(Cl)cc2Cl)cc1C 95463237 PWFBCVGEALUEAA-JTQLQIEISA-N 340.254 4.651 0 40 EJAB Clc1cc(Br)ccc1-n1ccnc1-c1ccccc1 95915873 ICGRMZBPMJWORM-UHFFFAOYSA-N 333.616 4.955 0 40 EJAB CC1(C)CC2=Nc3nonc3N[C@@H](c3ccc(Cl)cc3)C2=C(O)C1 102753198 KQKOGOMKIHFOPJ-AWEZNQCLSA-N 344.802 4.594 0 40 EJAB CC[C@H](Oc1ccc(C)cc1C)C(=O)N[C@@H](C)c1ccc(C)cc1C 113970329 XHNXFAFJPSGXDS-ICSRJNTNSA-N 339.479 4.955 0 40 EJAB CCSc1ccccc1NC(=O)[C@H](CC)Oc1ccccc1F 219578698 OJCLWDVFSQZEOL-HNNXBMFYSA-N 333.428 4.734 0 40 EJAB CCc1ccc(C[C@@H](Oc2ccc(-c3ccccc3)cc2)C(=O)O)cc1 225043118 MPKWHDKSQRQFRS-JOCHJYFZSA-N 346.426 4.991 0 40 EJAB C[C@H](CC(C)(C)c1ccccc1)NC(=O)Cc1ccccc1Cl 225439987 UXLWLFLXWWZZHH-OAHLLOKOSA-N 329.871 4.755 0 40 EJAB Cc1ccc(NC(=S)NC2(c3ccccn3)CCCC2)cc1Cl 225852639 MAUGDLCTYDZNTC-UHFFFAOYSA-N 345.899 4.799 0 40 EJAB O=C(Nc1cccc(Br)c1)c1ccc(C(F)(F)F)cc1 89097 IEWMHFXINWPDCA-UHFFFAOYSA-N 344.130 4.720 0 40 EJAB Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cccnc2)cc1 522363 AWPUZDKRLYGKLJ-UNMCSNQZSA-N 341.414 4.632 0 40 EJAB CCC(=O)N(CC[C@@H](c1ccc(OC)cc1)C(C)C)Cc1ccco1 1772049 YOUTXFCSFJUFOY-HXUWFJFHSA-N 343.467 4.857 0 40 EJAB biogenic CCC(C)(C)c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1 2648823 IMOWDTMKANPATL-MRXNPFEDSA-N 325.452 4.630 0 40 EJAB Cc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2c1ccc1ccccc12 5552476 VBFFRQWZVVYJQU-UHFFFAOYSA-N 345.354 4.875 0 40 EJAB O=C(CCc1ccccc1)N(Cc1ccccc1)Cc1ccccc1 5602950 FYQAKKHLSUGGMM-UHFFFAOYSA-N 329.443 4.848 0 40 EJAB c1ccc(Cc2nn3cc(-c4ccccc4)c4c3n2CCCC4)cc1 5861141 HCRGUYXJRNXVQF-UHFFFAOYSA-N 327.431 4.730 0 40 EJAB O=C(Cc1ccc(Cl)cc1)Nc1ccc(OC(F)F)c(Cl)c1 6510876 GDJJHDHFCZYBJP-UHFFFAOYSA-N 346.160 4.776 0 40 EJAB Cc1cc2nnc(SC/C=C/c3ccccc3)n2c2ccccc12 6820364 VGDYURGVAJCVTQ-JXMROGBWSA-N 331.444 4.996 0 40 EJAB Cc1csc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)n1 10554662 WKYBCVVDOKKQJA-INIZCTEOSA-N 340.473 4.924 0 40 EJAB O=C(Nc1ccccc1F)N[C@H](c1ccc(F)cc1)c1cccs1 12797143 LTEUHNZVXUXWGG-QGZVFWFLSA-N 344.386 4.937 0 40 EJAB C[C@@H](NC(=O)CCCc1nc2ccccc2s1)c1ccccc1F 12797394 KCUXCFJEZCJXAL-CYBMUJFWSA-N 342.439 4.636 0 40 EJAB Cc1csc(NC(=O)c2ccccc2SCc2ccco2)n1 14021932 JTDDGXFPSFOYHI-UHFFFAOYSA-N 330.434 4.589 0 40 EJAB Cc1cc(C2=Nn3cc(-c4ccccc4)nc3SC2)c(C)s1 14901417 FGBJRNJWXJYSGZ-UHFFFAOYSA-N 325.462 4.587 0 40 EJAB Cc1ccc(F)c(NC(=O)c2ccccc2C(=O)c2ccccc2)c1 14903348 JJNZQSUVGMZRHR-UHFFFAOYSA-N 333.362 4.617 0 40 EJAB O=C(N[C@@H]1CCc2ccccc21)c1sc2ccccc2c1Cl 16471724 TXZDCTTWWYVOGV-CQSZACIVSA-N 327.836 4.972 0 40 EJAB CC(C)c1ccc(C(=O)Nc2ccc(-c3ccc(CO)o3)cc2)cc1 20137644 JXTXAIJBRCKAQG-UHFFFAOYSA-N 335.403 4.815 0 40 EJAB Nc1nnc(C2=C(O)/C(=C/c3ccc(Cl)cc3Cl)CC2)s1 23731448 QOPLSMKOGQOTQU-VMPITWQZSA-N 340.235 4.574 0 40 EJAB FC(F)n1c(SCc2nc3ccccc3[nH]2)nc2ccccc21 40127819 UDZGTRVEZNBQIU-UHFFFAOYSA-N 330.363 4.600 0 40 EJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(F)cc1F 44842622 HQJBSRDWTRBPNG-GOSISDBHSA-N 341.357 4.914 0 40 EJAB Cc1cc2oc(=O)cc(CN(C)Cc3cccc(F)c3)c2cc1Cl 58167032 XBQMEHOVUVWBSY-UHFFFAOYSA-N 345.801 4.526 0 40 EJAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N[C@H](C)c1ccc(C)c(C)c1 59351313 KCGNPAKECYHASU-NQIIRXRSSA-N 339.479 4.955 0 40 EJAB Cc1nc(N2CCCc3ccccc32)ccc1[C@H](N)c1ccccc1 72224968 NTDKWKSJGHHPMJ-JOCHJYFZSA-N 329.447 4.522 0 40 EJAB O=C1c2ccccc2N(C(=O)c2ccccc2Cl)[C@H]1c1ccccc1 95101198 KWKJSVVUXKPIIL-IBGZPJMESA-N 347.801 4.924 0 40 EJAB Cc1cccc(CN[C@H](CSC(F)(F)F)Cc2ccccc2)c1 95918319 NXCRBINSWPPNOQ-KRWDZBQOSA-N 339.426 4.949 0 40 EJAB COc1ccccc1[C@H]1Nc2c(C(=O)O)cccc2[C@H]2[C@@H]1[C@H]1CC[C@@H]2C1 169702387 CNVSMRIFPOSVDX-XAWFZLGRSA-N 349.430 4.690 0 40 EJAB C[C@H](NC(=O)CCSCc1ccccc1)c1ccc2c(c1)CCC2 223208305 CQTQMUMQWXZCEG-INIZCTEOSA-N 339.504 4.676 0 40 EJAB Cc1cc(C)cc(O[C@@H](Cc2cc(Cl)cc(Cl)c2)C(=O)O)c1 225090952 CSGAOLSXOFAMMR-INIZCTEOSA-N 339.218 4.685 0 40 EJAB COc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccccc2C)cc1F 225391141 DHHHQNCRAOIBQM-NRFANRHFSA-N 349.405 4.662 0 40 EJAB COc1ccc(C(=O)CCc2ccc(C(C)(C)C)cc2)cc1OC 228924756 KOOSACCKDFSPAD-UHFFFAOYSA-N 326.436 4.817 0 40 EJAB C[C@@H]1CC[C@@](C)(COC(=O)[C@H]2C(=O)[C@@]3(C)CC[C@H]2C3(C)C)C1(C)C 245239280 HCERMHIQIKFMFV-HRSKUXEDSA-N 334.500 4.633 0 40 EJAB c1ccc(-c2cnc(N3CC[C@@H](n4ncc5ccccc54)C3)s2)cc1 511376750 HUPPKZFSZLRZID-QGZVFWFLSA-N 346.459 4.611 0 40 EJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Oc1ccc(Cl)cc1 1338 NIVDRJXCJCEFDD-UHFFFAOYSA-N 325.191 4.756 0 40 EJAB in-man Cc1nc2ccc3nc(NC(=O)c4ccc(F)cc4)sc3c2s1 188295 OZIPOEITOYNKOY-UHFFFAOYSA-N 343.408 4.606 0 40 EJAB Cc1cc2nc(-c3ccc(NC(=O)c4cccnc4)cc3)oc2cc1C 234302 RKQFLMBVHXGREM-UHFFFAOYSA-N 343.386 4.759 0 40 EJAB C[C@H]1C[C@H](c2nc(-c3cccc(Br)c3)cs2)CCO1 497078 YNLILRFUBKENFI-CMPLNLGQSA-N 338.270 4.855 0 40 EJAB CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(C)cc1 568992 PBFNONQITPFARO-AWEZNQCLSA-N 326.465 4.635 0 40 EJAB Cc1ccc(C(=O)NC(=S)Nc2ccc(C(C)(C)C)cc2)c(C)c1 570447 YEKYQDLZAUIWLN-UHFFFAOYSA-N 340.492 4.728 0 40 EJAB O=C(c1ccccc1)c1c(-c2ccccc2)oc2ccccc2c1=O 1562294 UGWVLVPQDKBUMC-UHFFFAOYSA-N 326.351 4.691 0 40 EJAB O=C(c1ccc(CN2CC=CC2)cc1)c1cc(Cl)cc(Cl)c1 2514921 LTEDXXFBYSRTBS-UHFFFAOYSA-N 332.230 4.596 0 40 EJAB Cc1cccc2nc(-c3cccs3)c(Nc3ccc4c(c3)OCO4)n12 3911526 MWLPLQHLKKLBAF-UHFFFAOYSA-N 349.415 4.844 0 40 EJAB CCC(CC)C(=O)Nc1nnc(/C=C/c2ccc(Cl)cc2)s1 4695012 RGKKOXXLTOIGSA-JXMROGBWSA-N 335.860 4.737 0 40 EJAB Cc1sc(NC(=O)c2ccc(F)cc2)c(CN2CCCCC2)c1C 4748613 RWVMYXUITQEMPO-UHFFFAOYSA-N 346.471 4.742 0 40 EJAB O[C@](CCN1CC[C@@H]2CC[C@@H](C2)C1)(c1ccccc1)C1CCCCC1 4934833 YTKGWTCAIJTXJU-SXWKCWPCSA-N 341.539 4.967 0 40 EJAB O=C(CSCc1ccccc1)NC(c1ccccc1)c1ccccc1 6228626 MZOYDMAYQHMERE-UHFFFAOYSA-N 347.483 4.826 0 40 EJAB CC(C)c1ccc(/C=C/c2nn3c(-c4ccco4)nnc3s2)cc1 6668723 UOMOVTOWSYZSCX-JXMROGBWSA-N 336.420 4.740 0 40 EJAB Cn1ccnc1SCc1cn(-c2ccccc2)nc1-c1ccccc1 6921444 LTSRFMFUZHGLSY-UHFFFAOYSA-N 346.459 4.565 0 40 EJAB Cc1cccc2sc(NC(=O)c3cc(F)c(F)cc3Cl)nc12 6947687 ZSJKTSGKMXWNNU-UHFFFAOYSA-N 338.766 4.789 0 40 EJAB O=C1c2ccccc2N[C@H](c2ccccc2Cl)N1Cc1ccco1 7112498 YJFKBSRQBMPVSS-SFHVURJKSA-N 338.794 4.700 0 40 EJAB CCOc1ccccc1Oc1nc(-c2cccnc2)nc2ccccc12 8119692 FGFQFZBBKQYEMQ-UHFFFAOYSA-N 343.386 4.883 0 40 EJAB CC[C@H](C)NCc1ccc(OCc2ccc(Cl)cc2)c(OC)c1 8326710 GWAIGRZRAAYPKR-AWEZNQCLSA-N 333.859 4.816 0 40 EJAB COc1cc(CNCc2ccccc2)ccc1OCc1ccccc1 8472041 RPQPVSINUXKUSB-UHFFFAOYSA-N 333.431 4.564 0 40 EJAB C[C@H](c1ccc(F)cc1)N(C)C(=O)CCc1nc2ccccc2s1 8938107 NEJVFMXVOKKEPL-CYBMUJFWSA-N 342.439 4.588 0 40 EJAB COC[C@@H](C)n1c(-c2cccs2)cs/c1=N\c1ccc(F)cc1 12619018 UCYFZXSYARHJPO-JFLJVCDGSA-N 348.468 4.857 0 40 EJAB CC(C)(C)c1cc(NC(=O)c2ccsc2)n(Cc2ccccc2)n1 12918232 CKRXLWLRGJHTAS-UHFFFAOYSA-N 339.464 4.543 0 40 EJAB CC(C)c1ccc(C(=O)NCCCc2nc3ccccc3s2)cc1 12982699 BMXJHVDNDSUVQH-UHFFFAOYSA-N 338.476 4.782 0 40 EJAB c1ccc(CN2CC[C@H](NC3CCCCC3)[C@@H](c3ccccc3)C2)cc1 13563455 GGBZYOBTRJQSDZ-RPWUZVMVSA-N 348.534 4.967 0 40 EJAB CC(C)(C)c1ccc(-c2nc(-c3cc4ccccc4[nH]c3=O)no2)cc1 13778983 XWUWTURDEVEXLY-UHFFFAOYSA-N 345.402 4.543 0 40 EJAB O=C(c1cc2ccccc2[nH]1)N1CC=C(c2c[nH]c3ccccc23)CC1 14348962 AEAXUTUKWHOOJE-UHFFFAOYSA-N 341.414 4.579 0 40 EJAB Cc1ccc(N(C(=O)Nc2ccccc2)C2=NCCC2)cc1Cl 17120486 WIPYFUVVALJQDR-UHFFFAOYSA-N 327.815 4.879 0 40 EJAB O=C(Nc1cccc(Cl)c1)c1cccnc1Nc1cccc(F)c1 22072778 HJDYQCZXGACQNV-UHFFFAOYSA-N 341.773 4.870 0 40 EJAB O=C(NC1CCCCCCC1)c1ccc(CN2CCCCCC2)cc1 30944111 TXYUVBCEUAYGLT-UHFFFAOYSA-N 342.527 4.905 0 40 EJAB CCc1oc2ccccc2c1/C=C/C(=O)N(C)Cc1cccs1 31525352 QOXOOLUPVUHQTJ-ZHACJKMWSA-N 325.433 4.729 0 40 EJAB CCc1cc(-c2ccc(/C=C/C(=O)OC)o2)cc(C)c1Br 45889518 OPZMATJXUGZKRH-SOFGYWHQSA-N 349.224 4.766 0 40 EJAB CC[C@H](Oc1ccccc1C)C(=O)N[C@H](C)c1ccc(C)c(C)c1 59351297 FTBYXNFNAFDGIA-MJGOQNOKSA-N 325.452 4.647 0 40 EJAB Cc1ccc(O[C@H](C)C(=O)N[C@H](C)c2cc(C)ccc2C)c(C)c1 59351568 REAVJIRLOUKMIR-QZTJIDSGSA-N 325.452 4.565 0 40 EJAB CCc1nc(C)c(C(=O)Nc2cc(C(C)(C)C)nn2C(C)(C)C)s1 60245903 ONUBIZOQOCQKPH-UHFFFAOYSA-N 348.516 4.515 0 40 EJAB CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc(C2=NCCCC2)cn1 72215136 GJAYIBNNBFVWNA-AWEZNQCLSA-N 331.460 4.595 0 40 EJAB O=C(c1ccccc1)N1N=C(c2ccsc2)C[C@H]1c1ccsc1 89822919 YFKBHJQCOUIQLN-KRWDZBQOSA-N 338.457 4.801 0 40 EJAB CCc1ccccc1NC(=O)c1cnc(-c2ccc(Cl)cc2)nc1 222602509 LARZKMILVWRNOR-UHFFFAOYSA-N 337.810 4.612 0 40 EJAB CCOc1ccc(C(=O)NCc2ccc3ccccc3c2)cc1Cl 222818232 CUYZFGZTEBNPGZ-UHFFFAOYSA-N 339.822 4.822 0 40 EJAB Cc1cc(C)c([C@@H](C)NC(=O)[C@@H](C)Sc2ccccc2)cc1C 223398820 GILYBSYTNGBYSJ-IAGOWNOFSA-N 327.493 4.970 0 40 EJAB CCCOc1c(C)cc(NC(=O)[C@@]2(OC)CCC[C@@H](C)C2)cc1C 225638115 HKZOCNWAJWZMPX-JLTOFOAXSA-N 333.472 4.626 0 40 EJAB C[C@@H](O)c1cccc(NC(=O)c2ccc(OCc3ccccc3)cc2)c1 226274485 OQZZPZMSPFWFER-MRXNPFEDSA-N 347.414 4.571 0 40 EJAB Cc1ccc(C(=O)Nc2cccc(Cl)c2N2CCCCC2)cc1 556468 FXTTVDGBSJKBFX-UHFFFAOYSA-N 328.843 4.891 0 40 EJAB CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2134749 ILCTUFVQFCIIDS-VIMRINFKSA-N 332.484 4.530 0 40 EJAB biogenic,in-vitro COc1ccc(-n2cc(-c3ccccc3)c3c(Cl)ncnc32)cc1 2455209 ODBFVJIVUPXYGY-UHFFFAOYSA-N 335.794 4.750 0 40 EJAB CCC1(CC)O[C@@H](c2cccc(OC)c2OC)Nc2ccccc21 4358216 XUOXNNSVEBZFJJ-IBGZPJMESA-N 327.424 4.860 0 40 EJAB CCCCn1c(SCC(=O)c2ccc(F)cc2)nc2ccccc21 4550215 XIWQUSILPDFLQP-UHFFFAOYSA-N 342.439 4.951 0 40 EJAB Cc1csc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)n1 6223627 FTRJBHUPZTZWRH-UHFFFAOYSA-N 345.427 4.919 0 40 EJAB aggregator O=C(/C=C/c1ccc(Cl)cc1Cl)NCCc1ccc(F)cc1 6305350 VCXNBQRTUQRHKU-XBXARRHUSA-N 338.209 4.505 0 40 EJAB Cc1ccc2nc(SCC(=O)Nc3cc(Cl)ccc3C)[nH]c2c1 6908887 AMTWVMVWVQLHDA-UHFFFAOYSA-N 345.855 4.564 0 40 EJAB COc1ccc(-c2nc(-c3ccccc3OC)cs2)c(OC)c1 8327594 QRHXUQIOCWMXNJ-UHFFFAOYSA-N 327.405 4.503 0 40 EJAB O=C(O)c1ccc(Cl)c(NC(=O)c2cc3cc(F)ccc3s2)c1 8429626 DYVZWOGMTJJIPX-UHFFFAOYSA-N 349.770 4.644 0 40 EJAB CCOc1ccc([C@H]2CCCN2C(=O)c2cc3ccccc3o2)cc1 9596557 MHVLHEZALBTKGC-GOSISDBHSA-N 335.403 4.809 0 40 EJAB Cc1ccc2cc(COC(=O)c3cccnc3Cl)c(Cl)nc2c1 10801327 JZYCSJAKFQWUAL-UHFFFAOYSA-N 347.201 4.602 0 40 EJAB CCOc1ccc(C(=O)N(Cc2ccc(C)cc2)c2ccccn2)cc1 11914868 JKGHFSDGYJGYIL-UHFFFAOYSA-N 346.430 4.636 0 40 EJAB CC(C)(C)[C@H]1CCc2c(sc3c2[C@@H](c2cccnc2)CC(=O)N3)C1 15106485 YRKWTXYCIYWYJZ-DZGCQCFKSA-N 340.492 4.768 0 40 EJAB C[C@@H](c1cccs1)N(C)Cc1nc(-c2ccccc2Cl)no1 16435160 WZJKQYYGDZXQGZ-NSHDSACASA-N 333.844 4.645 0 40 EJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H]1CCCc2ccccc21 20481456 GNBVUQQNVVXILH-SFTDATJTSA-N 337.463 4.655 0 40 EJAB Cc1ccc(C)c2sc(NC(=O)c3cc(Cl)ccc3F)nc12 21599219 BLKFKKBPPQSLIE-UHFFFAOYSA-N 334.803 4.958 0 40 EJAB Nc1ccc2[nH]c(-c3cccc4c(Br)cccc34)nc2c1 22124693 PGQLNXZZERWFMH-UHFFFAOYSA-N 338.208 4.728 0 40 EJAB c1ccc(-c2cnc(Sc3ncnc4ccccc34)n2C2CC2)cc1 25152028 WXHUENZSFFHZNC-UHFFFAOYSA-N 344.443 4.979 0 40 EJAB c1ccc(-c2c[nH]c(SCc3ccc(-n4cccn4)cc3)n2)cc1 27660508 IKPJYJBOEGTGIV-UHFFFAOYSA-N 332.432 4.555 0 40 EJAB CC(C)c1ccccc1O[C@H](C)C(=O)N[C@H](C)CCc1ccccc1 30848380 CVCVXENVGHVSIY-QZTJIDSGSA-N 339.479 4.715 0 40 EJAB COc1ccccc1Nc1c(-c2ccc(O)cc2)nc2ccc(C)cn12 35616016 XBRUXFMPMBYEMY-UHFFFAOYSA-N 345.402 4.768 0 40 EJAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1cccc(SC)c1 38753626 RSCNBVQEWSYKCY-HNNXBMFYSA-N 335.856 4.858 0 40 EJAB CCOC(=O)CCCCC(=O)c1cc(Cl)c(Cl)c(Cl)c1 43214401 HQIFZKFCCKIPPC-UHFFFAOYSA-N 337.630 4.953 0 40 EJAB CCCCOc1ccc2oc(C)c(C(=O)NCc3ccccc3)c2c1 46085601 AAYZCDZTOUFWSL-UHFFFAOYSA-N 337.419 4.850 0 40 EJAB CCOc1ccc(-c2cc(C(=O)Nc3cccc(C(C)C)c3)n[nH]2)cc1 51315401 MSJMMSDPALKJAQ-UHFFFAOYSA-N 349.434 4.851 0 40 EJAB CC1CCC(NC(=O)CSCc2ccc(Cl)cc2Cl)CC1 57991823 QEIWOEBLDHKXQE-UHFFFAOYSA-N 346.323 4.922 0 40 EJAB Cc1csc(-c2ccc(C(=O)N3CCC[C@H]4CCCC[C@H]43)cc2)n1 71847882 QSBIJYSONPMEBP-CRAIPNDOSA-N 340.492 4.913 0 40 EJAB O=C(c1ccccc1)N1CCC[C@H]1c1cccnc1Nc1ccccc1 72214146 GPZFGWVFYSCPIQ-FQEVSTJZSA-N 343.430 4.803 0 40 EJAB CCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2CC(C)C)cn1 72214622 CEANUQKXNJTBEP-QGZVFWFLSA-N 347.503 4.636 0 40 EJAB CCC[C@H](C)NC(=O)C12C[C@@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 102813280 YAMUSHNWZGBBAG-LHZADGPGSA-N 325.496 4.829 0 40 EJAB C[C@H](NC(=O)[C@@H](C)Oc1ccccc1)c1ccc(C(C)(C)C)cc1 219484046 XYHAVFLGONAKMR-JKSUJKDBSA-N 325.452 4.629 0 40 EJAB CCOc1ccc(CCCNC(=O)c2ccccc2SCC)cc1 219648826 MICUMGZHMBSYNH-UHFFFAOYSA-N 343.492 4.560 0 40 EJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cccc(F)c1 222835535 LDRFYZYQNCIQQM-LJQANCHMSA-N 327.399 4.501 0 40 EJAB CC[C@H](NC(=O)[C@@H](C)Sc1ccccc1)c1ccc(OC)c(C)c1 224738636 BXVARSXUEKFXNH-QAPCUYQASA-N 343.492 4.752 0 40 EJAB O=C(O)[C@@H](Cc1cccc(Cl)c1Cl)Sc1ccccc1 225083769 ISQMAOGRNZIBQY-CYBMUJFWSA-N 327.232 4.781 0 40 EJAB CO[C@]1(C(=O)Nc2cc(C)c(OC(C)C)c(C)c2)CCC[C@H](C)C1 225638217 CKFLDMMGWYTOPS-VBKZILBWSA-N 333.472 4.624 0 40 EJAB CCOC1(C(=O)Nc2cc(C)c(OCC(C)C)c(C)c2)CCCC1 225708018 WJHVLZIXHSYLRH-UHFFFAOYSA-N 333.472 4.626 0 40 EJAB COc1ccccc1OCC(=O)Nc1ccc(Oc2ccccc2)cc1 38429 VIBNTAIMLFRHAS-UHFFFAOYSA-N 349.386 4.505 0 40 EJAB Brc1ccccc1N1COc2ccc3ccccc3c2C1 189056 VNLLTFXMKPUNGH-UHFFFAOYSA-N 340.220 4.959 0 40 EJAB Cc1cccc(NC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)c1 363667 ILPWLUNJJUKVIU-KRWDZBQOSA-N 343.426 4.968 0 40 EJAB Cc1ccn2c(NCc3ccc(F)cc3)c(-c3ccc(O)cc3)nc2c1 413701 VWDXGCDTRUAZBU-UHFFFAOYSA-N 347.393 4.767 0 40 EJAB O=C(/C=C/c1ccccc1)N(Cc1ccccc1)Cc1ccccc1 3195819 PYKTZARZFNZUGD-WUKNDPDISA-N 327.427 4.929 0 40 EJAB COc1cc2ccccc2cc1C(=O)N[C@@H]1CCCc2ccccc21 6232049 LFLDSIGZDUOMMD-HXUWFJFHSA-N 331.415 4.656 0 40 EJAB CC(C)=CCC/C(C)=C/C=C1/CC(=O)N(CCc2ccccc2)C1=O 6670076 WLTSPMYJUMTVEI-FDTGUPFSSA-N 337.463 4.607 0 40 EJAB Clc1cc2c(cc1CSc1nc3ccccc3s1)OCO2 6886166 KJSURXTYWGUUER-UHFFFAOYSA-N 335.837 4.971 0 40 EJAB Brc1ccc(-c2ccc(CNCc3ccccc3)o2)cc1 7524876 SMCMDCBYSNGJOQ-UHFFFAOYSA-N 342.236 4.999 0 40 EJAB CSc1ccc(Cl)c(C(=O)OCc2nc3ccccc3o2)c1 8278190 JTGTXIQBOAXMDD-UHFFFAOYSA-N 333.796 4.560 0 40 EJAB COc1c(Cl)cc(Cl)cc1CNCc1ccccc1Cl 8469576 WHDZOROAKUJNCW-UHFFFAOYSA-N 330.642 4.945 0 40 EJAB COc1ccccc1/C=C/[C@H]1Nc2ccccc2C(=O)N1C1CCCC1 8721451 KRSMMRXBHXJLTO-JLVIMGNISA-N 348.446 4.545 0 40 EJAB Cc1cc(NC(=O)CC(C)C)ccc1-c1cc2ccccc2oc1=O 9142042 YXUKOULEMAMYOX-UHFFFAOYSA-N 335.403 4.753 0 40 EJAB O=C1C[C@H](c2ccc(OCc3ccccc3)cc2)c2sccc2N1 12376535 ZJDOFYUECICHLF-QGZVFWFLSA-N 335.428 4.801 0 40 EJAB O=C(/C=C/c1cccc2ccccc12)Nc1ccc(-n2ccnc2)cc1 12525636 YJURHYKHKAPTRX-MDWZMJQESA-N 339.398 4.677 0 40 EJAB Cc1sc(-c2ccco2)nc1-c1ccc(NC(=O)C(C)C)cc1 12794446 GJEOPYBTNYNLIW-UHFFFAOYSA-N 326.421 4.973 0 40 EJAB O=C(Nc1nc2c(C(F)(F)F)cccc2s1)[C@H]1CC=CCC1 12816375 DHKMJKLWPGYORS-VIFPVBQESA-N 326.343 4.610 0 40 EJAB CSCC[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc(C)cc3)=NN12 13759473 PACSKYNGPFMXIT-QUCCMNQESA-N 338.476 4.618 0 40 EJAB CCOc1ccc(-c2cc(C(=O)Oc3ccc(Cl)cc3)no2)cc1 15669819 CEQJSWVEMCAKLV-UHFFFAOYSA-N 343.766 4.613 0 40 EJAB COc1cc(Cl)cc2c1OC=CC(C(=O)Nc1ccc(C)cc1)=C2 15838657 ZAJYQVMIVHFEAA-UHFFFAOYSA-N 341.794 4.585 0 40 EJAB Cc1onc(-c2ccccc2)c1C(=O)Nc1cccc(Cl)c1F 15997259 XXPQIFRMZUPQBM-UHFFFAOYSA-N 330.746 4.695 0 40 EJAB CC(C)Oc1cccc(NCc2ccc(OC[C@H]3CCCO3)cc2)c1 19737514 YPVVMACSZXICJN-OAQYLSRUSA-N 341.451 4.644 0 40 EJAB Cc1cccc([C@@H]2CC(=O)c3c(C)nc(Nc4ccccc4)nc3C2)c1 20101874 RZVLGOZRUOMFCN-KRWDZBQOSA-N 343.430 4.750 0 40 EJAB Cc1ccccc1CSc1nc2ccc(Br)cc2[nH]1 20765203 OJCDFFSWYLSDJV-UHFFFAOYSA-N 333.254 4.926 0 40 EJAB COc1cc([C@H](C)NC(=O)c2ccsc2)ccc1OC1CCCC1 48339912 QHUAYSFESDPTLH-ZDUSSCGKSA-N 345.464 4.569 0 40 EJAB c1ccc(Nc2nc(CN3CCC(n4cccc4)CC3)cs2)cc1 58526217 YCJJUNIYFYGIFD-UHFFFAOYSA-N 338.480 4.525 0 40 EJAB CC(=O)Nc1ccccc1CN(C)[C@H](C)c1sc(C(C)C)nc1C 93821647 POSHHECVKPFIQJ-CQSZACIVSA-N 345.512 4.726 0 40 EJAB Cc1nc2n(n1)[C@@H](c1ccccc1)C=C(c1ccc3ccccc3c1)N2 101386538 OVZNPZYQOZWUJU-OAQYLSRUSA-N 338.414 4.796 0 40 EJAB COc1ccc([C@@H](CC(C)C)NC(=O)c2cc3ccccc3o2)cc1 219947242 DMHLGBOQTSORQU-GOSISDBHSA-N 337.419 4.959 0 40 EJAB COc1ccc(C(=O)Nc2cccc(SC)c2)cc1COC(C)C 224427560 GQCVEKFTOMLLJJ-UHFFFAOYSA-N 345.464 4.594 0 40 EJAB COc1ccc(NC(=S)NCCCc2cccc(C)c2)cc1Cl 225391780 UPEMMIGEQPNDOD-UHFFFAOYSA-N 348.899 4.576 0 40 EJAB CCOC(=O)c1ccc(NC(=S)Nc2ccc(C)cc2)cc1Cl 225454607 UJHGUCYWDGJYMO-UHFFFAOYSA-N 348.855 4.634 0 40 EJAB Cc1cccc(NC(=S)NCCCc2cccc(OC(C)C)c2)c1 225563878 BQFUEVAUQCGTEN-UHFFFAOYSA-N 342.508 4.701 0 40 EJAB CCc1ccc(NC(=S)NCCCSCc2ccccc2)cc1 225597115 CDQNOCHDMQBAJB-UHFFFAOYSA-N 344.549 4.859 0 40 EJAB CCOc1ccc(C2=N/C(=C\c3ccc(C(C)C)cc3)C(=O)O2)cc1 409008999 QKYUBSZYMZARKC-UYRXBGFRSA-N 335.403 4.553 0 40 EJAB C[C@@H](N[C@@H]1CCCc2nn(C)cc21)c1ccc(Oc2ccccc2)cc1 511030256 KGBUKLQLELIIPW-IIBYNOLFSA-N 347.462 4.941 0 40 EJAB CC(C)(C)SCc1nnc2sc(-c3cccc(Cl)c3)nn12 1501040560 XMTSWFWQMFFPNA-UHFFFAOYSA-N 338.889 4.538 0 40 EJAB Cc1nn(C(=O)[C@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)c(C)c1Cl 356019 TYANIFRHPYEYTJ-HOTGVXAUSA-N 330.859 4.895 0 40 EJAB C[C@H](Cc1cccs1)NC(=O)Nc1cccc(C(F)(F)F)c1 3211395 NWRIPNRJFCKELY-SNVBAGLBSA-N 328.359 4.520 0 40 EJAB CCc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)C2CC2)cc1 4341959 NTAAAJIQHZHKEJ-UHFFFAOYSA-N 348.402 4.596 0 40 EJAB O=C1OC(=C(Cl)Cl)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]12 4974742 YLUVPNMIHGZZMH-FJBKBRRZSA-N 343.209 4.713 0 40 EJAB Cc1cc(O[C@@H](C)C(=O)N[C@H]2CCCc3ccccc32)ccc1Cl 5186750 SRUYYBRPIFEHMX-LIRRHRJNSA-N 343.854 4.610 0 40 EJAB COCc1c(C(=O)Nc2ccccc2C)sc2cccc(F)c12 5403460 CWRRQCVAGKGSED-UHFFFAOYSA-N 329.396 4.748 0 40 EJAB O=C(Cc1cccs1)Nc1nc(-c2ccccc2Cl)cs1 7640725 GAVKFVIYNNIFHT-UHFFFAOYSA-N 334.853 4.706 0 40 EJAB Cc1cccnc1NC(=O)CSc1cccc2cccc(Cl)c12 7735022 WCBYSEWAKRPCDS-UHFFFAOYSA-N 342.851 4.927 0 40 EJAB Cc1ccc(-c2nc3cc(NC(=O)C(F)(F)F)ccc3o2)cc1C 8071086 XVYBSHORJOYRFD-UHFFFAOYSA-N 334.297 4.612 0 40 EJAB C[C@@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)c1cccc(Cl)c1 9496090 UAHSYUOCYXSZSG-SNVBAGLBSA-N 347.871 4.507 0 40 EJAB CC(C)(C)C1CCC(C(=O)NCCc2c[nH]c3ccccc23)CC1 12761266 RBVNHWRJMTUKPW-UHFFFAOYSA-N 326.484 4.679 0 40 EJAB CCOC(=O)c1cccc(NC(=S)Nc2cccc(Cl)c2C)c1 13841006 UTMTXLYWUVPPLO-UHFFFAOYSA-N 348.855 4.634 0 40 EJAB COc1ccccc1C(=O)N(CC(C)C)c1nc2ccccc2s1 14382384 SMJLNLVNMFYSBX-UHFFFAOYSA-N 340.448 4.608 0 40 EJAB CCOc1ccc(OCC)c(NC(=O)CCc2ccc(Cl)cc2)c1 14702104 POQGWXBSZZWRQK-UHFFFAOYSA-N 347.842 4.709 0 40 EJAB CC(=O)NCCCc1ccc(-c2csc(-c3cccs3)n2)cc1 19542534 JYGUSRYKBMIAOI-UHFFFAOYSA-N 342.489 4.607 0 40 EJAB Cc1nc2cc(NC(=O)CSCc3cccc(Cl)c3)ccc2o1 27013257 JCDCGJXOTURVQI-UHFFFAOYSA-N 346.839 4.662 0 40 EJAB Cc1cc(C)c2c(C)c(C(=O)Nc3onc4c3C[C@@H](C)CC4)oc2c1 27580576 VEFDYWVXJZIOGJ-JTQLQIEISA-N 338.407 4.723 0 40 EJAB Cc1ccc(C(=O)[C@@H](C)OC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 32744882 LRYCFICRWPIFAK-NOCBQHASSA-N 340.463 4.716 0 40 EJAB O=C(Nc1cccc(Br)c1)Nc1ccccc1Cl 35132884 BLHIWFQJAYRBLR-UHFFFAOYSA-N 325.593 4.747 0 40 EJAB CCNc1nc2c(s1)[C@@H](c1c(C)sc3ccccc13)CC(=O)N2 35324896 YXBKSHAKSZJKLE-LLVKDONJSA-N 343.477 4.572 0 40 EJAB O=C(CCSc1ccc(Cl)cc1)Nc1c(F)cccc1F 45829753 XDTMFIINPVRKPI-UHFFFAOYSA-N 327.783 4.739 0 40 EJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccc(C)cc1C 59351656 ZKWNYJVVGSPDHV-HNAYVOBHSA-N 345.870 4.992 0 40 EJAB CCCN(Cc1ccccc1)C(=O)c1cccc(Oc2ccncc2)c1 84755243 XZHVPPUJUQAZPG-UHFFFAOYSA-N 346.430 4.926 0 40 EJAB CC[C@@H](C(=O)Nc1cccc(-c2cnc3n2CCC3)c1)c1ccccc1 85471567 URTJCVJWCYDCMB-LJQANCHMSA-N 345.446 4.629 0 40 EJAB C[C@@H](N[C@@H]1CCc2ccccc21)C(=O)Nc1cc(Cl)cc(Cl)c1 95946717 UOCLZCIQOCUTEB-PIGZYNQJSA-N 349.261 4.598 0 40 EJAB COc1cccc2cc(-c3nnc(-c4ccccc4C)o3)c(C)nc12 216602164 VFKPTDAWACBRHO-UHFFFAOYSA-N 331.375 4.577 0 40 EJAB Cc1cccc(Nc2ccc(NC(=S)NCc3ccccc3)cn2)c1 223924082 SLGHGSTVGBPOBF-UHFFFAOYSA-N 348.475 4.620 0 40 EJAB Cc1cccc([C@@H]2Nc3c(C(=O)O)cccc3[C@@H]3[C@H]4CC[C@@H](C4)[C@H]23)c1 251195250 PUXRBJYOENWGBS-BLMTYFJBSA-N 333.431 4.990 0 40 EJAB COCc1nc2ccccc2n1CCOc1ccc(C(C)(C)C)cc1 247006 IJKGJQYKWSVEMQ-UHFFFAOYSA-N 338.451 4.559 0 40 EJAB Brc1ccc2c(c1)[C@@H]1OCC[C@H]1[C@H](c1cccs1)N2 377069 WUIPKVXSZJTSSV-COLVAYQJSA-N 336.254 4.755 0 40 EJAB CCCOc1ccc(/C=C/C(=O)Nc2ccccc2CC)cc1OC 1934661 NIOBWKLYLHLCPP-ACCUITESSA-N 339.435 4.698 0 40 EJAB Cc1cc(C)cc(-c2nnc3sc(/C=C/c4ccccc4)nn23)c1 4667816 MCIHKKWSCGLQFL-CMDGGOBGSA-N 332.432 4.640 0 40 EJAB O=P1(NCCO)C=C(c2ccccc2)SC(c2ccccc2)=C1 5523469 FBLRITFURJHLES-UHFFFAOYSA-N 343.388 4.590 0 40 EJAB O=C(O)c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 7603924 URUYRXJKKBXBMM-UHFFFAOYSA-N 331.582 4.924 0 40 EJAB Cc1cccn2c(NC(=O)[C@H]3CC=CCC3)c(-c3ccccc3)nc12 7987812 YUNGRSTVLLAWFV-KRWDZBQOSA-N 331.419 4.605 0 40 EJAB Cc1oc(C2CCCCC2)cc1C(=O)Nc1cccc(C(=O)O)c1 8276294 CZHLFWGZVTWFFH-UHFFFAOYSA-N 327.380 4.586 0 40 EJAB Cc1ccc(NC(=O)c2ccc(Br)s2)c(Cl)c1 9951219 FXYZOROIWGRCEJ-UHFFFAOYSA-N 330.634 4.725 0 40 EJAB Cc1cc(C(=O)Nc2ncc(Cc3ccc(Cl)cc3)s2)c(C)o1 11690067 FLBXMEKCAUGVMH-UHFFFAOYSA-N 346.839 4.849 0 40 EJAB CCCCn1c([C@@H]2CC(=O)N(c3cccc(C)c3)C2)nc2ccccc21 12411030 BENBGTCHFQSZMT-QGZVFWFLSA-N 347.462 4.665 0 40 EJAB CC[C@H]1c2ccsc2CCN1C(=O)CCc1c[nH]c2ccccc12 14142270 OSIGUGGBTUHKOD-SFHVURJKSA-N 338.476 4.698 0 40 EJAB O=C(Cc1noc2ccccc12)Nc1ccccc1Oc1ccccc1 14157873 VPBKNXHXGBKAPW-UHFFFAOYSA-N 344.370 4.801 0 40 EJAB C[C@@H]1CCCCN1c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 14268954 ZBIVWJGFTXFPNN-OAHLLOKOSA-N 342.870 4.900 0 40 EJAB CCOc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 14401013 CSFCTNMJUMYJMX-CQSZACIVSA-N 347.842 4.762 0 40 EJAB O=C(Nc1cccc(C(F)(F)F)c1)N1CC[C@H]2CCCC[C@H]2C1 16399332 SNQOWJOMZKTFDQ-OLZOCXBDSA-N 326.362 4.749 0 40 EJAB CCOC(=O)c1cnc2c(C)cc(Cl)cc2c1NCc1ccco1 19791956 GFRQBNMKYIIMCW-UHFFFAOYSA-N 344.798 4.578 0 40 EJAB COc1ccc(S[C@@H](C)C(=O)N[C@@H](C)c2cc(C)ccc2C)cc1 20046134 VAPAPJBGLYLJSW-HOTGVXAUSA-N 343.492 4.670 0 40 EJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N[C@H](C)c1ccccc1 22523724 QVHXDCYFOWPDKW-OXQOHEQNSA-N 333.431 4.875 0 40 EJAB Cc1cccnc1NC(=O)c1ccc(C2SCCCS2)cc1 27651316 XECQFAYDZKTVIF-UHFFFAOYSA-N 330.478 4.511 0 40 EJAB Fc1ccc(-c2nn3cc(-c4ccccc4)c4c3n2CCCC4)cc1 27752580 ULBPLDXCWBQRDG-UHFFFAOYSA-N 331.394 4.945 0 40 EJAB O=C(CCc1ccc(Cl)cc1)N[C@H]1CCSc2ccc(F)cc21 37127514 LNHPKFAXASZBBF-INIZCTEOSA-N 349.858 4.765 0 40 EJAB C[C@@H](Cc1cccs1)NC(=O)C1c2ccccc2Oc2ccccc21 38565897 YEXRLADSMLZCOK-AWEZNQCLSA-N 349.455 4.733 0 40 EJAB CCOC(=O)/C=C/c1ccc(-c2cc(C)c(Br)cc2C)o1 45957927 NXGKONYDUHICED-SOFGYWHQSA-N 349.224 4.902 0 40 EJAB Cc1ccc(C)c(-c2cc(-c3nc(-c4ccc(F)cc4)no3)[nH]n2)c1 46914302 CSNJKSXZKKOHMF-UHFFFAOYSA-N 334.354 4.550 0 40 EJAB CCCc1noc([C@H](C)Sc2nc3ccccc3n2C(F)F)n1 48324180 HLSRUPFQFQVUEG-VIFPVBQESA-N 338.383 4.620 0 40 EJAB CCC[C@H](C(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C)c1ccccc1 49649852 QCEWAJPRXDIRDG-FXAWDEMLSA-N 349.478 4.960 0 40 EJAB Cc1nn(C)c(C)c1[C@@H](C)C(=O)Nc1ccc(Nc2ccccc2)cc1 58415547 WDQDDEVDUIURNA-CQSZACIVSA-N 348.450 4.523 0 40 EJAB CCOc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)cc1 59477495 IBNDRMCKIDVUQB-FYWRMAATSA-N 333.387 4.997 0 40 EJAB Cc1ccc(/C=C/C(=O)N2CCC[C@H]2CCc2ccccc2)s1 70040747 PAOSNSYGOLBGJS-JKGDOXCYSA-N 325.477 4.694 0 40 EJAB CN1CCC[C@H](c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)C1 72348589 BMIVVMOFVFPHCS-HNNXBMFYSA-N 334.385 4.500 0 40 EJAB CCc1nc(C)c(C(=O)N2CCC[C@H]2[C@@H](CC)c2ccccc2)s1 83830216 QWDCWBFFAQMIDS-IRXDYDNUSA-N 342.508 4.812 0 40 EJAB Cc1oc(-c2cccs2)nc1C[S@](=O)[C@@H](C)c1ccc(F)cc1 84056803 GCEIQOIHQCWCHU-DAOPMYJZSA-N 349.452 4.861 0 40 EJAB Cc1cc(C(=O)N(C)CC23CC4CC(CC(C4)C2)C3)c(C)n1C(C)C 84077474 RIFCENCGOWAXPI-UHFFFAOYSA-N 342.527 4.974 0 40 EJAB COc1ccc([C@@H](C)N[C@H](C)c2cc(C)sc2C)cc1NC(C)=O 96476496 GNXZAMQTLRWCFV-CHWSQXEVSA-N 346.496 4.744 0 40 EJAB O=C(/C=C/c1ccco1)N1CCS[C@H](c2ccccc2Cl)CC1 211145717 NAFDBGYTCSOUIW-OZSKJFCKSA-N 347.867 4.653 0 40 EJAB CCSc1ccccc1NC(=O)CCCOc1ccc(OC)cc1 216366379 HZMXPVNOUZGXTG-UHFFFAOYSA-N 345.464 4.605 0 40 EJAB CC(C)c1ccc(CCCNC(=O)Cc2ccc(Cl)cc2F)cc1 223506224 OBUJRJNKKIWGRX-UHFFFAOYSA-N 347.861 4.894 0 40 EJAB COc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1COC(C)C 224424579 URDUQXGNAGRGJS-UHFFFAOYSA-N 333.815 4.526 0 40 EJAB CCCCOCc1cc(C(=O)Nc2c(C)cccc2C)ccc1OC 224435530 KADAFCZWHBBXOK-UHFFFAOYSA-N 341.451 4.881 0 40 EJAB CCc1ccc(CC)c(CNC(=O)COc2cccc3ccccc23)c1 225399551 QAZDHCMTLDIWPM-UHFFFAOYSA-N 347.458 4.660 0 40 EJAB CCO[C@@](C)(C(=O)Nc1cc(C)c(O[C@H](C)CC)c(C)c1)C1CC1 225725516 JVCRSZGXIAWHDJ-FOIQADDNSA-N 333.472 4.624 0 40 EJAB Cc1ccc(OC[C@H](C)NC(=S)Nc2cccc(Cl)c2)cc1C 225789129 CHRXXSOWXQJXDP-AWEZNQCLSA-N 348.899 4.711 0 40 EJAB Cc1ccc(NCCC(=O)c2ccc(Br)cc2)c(C)c1 226762442 YSKTZEUWKHEBDF-UHFFFAOYSA-N 332.241 4.751 0 40 EJAB CSCc1cccnc1C(=O)N1CCC[C@H]1c1c(C)cccc1C 598857494 PEVMSHFNOSVDIC-KRWDZBQOSA-N 340.492 4.539 0 40 EJAB C[C@@H](Cc1csc2ccccc12)NC(=O)CCc1ccccc1F 618257624 ZGMXFNPPVFEEKT-AWEZNQCLSA-N 341.451 4.720 0 40 EJAB Cc1ccc2nc(-c3ccccc3)cc(C(=O)O)c2c1Br 1857793848 HWMNXTYZZLBQNK-UHFFFAOYSA-N 342.192 4.671 0 40 EJAB CC(C)c1ccc(/C=C2\N=C(c3cccc(Cl)c3)OC2=O)cc1 176814 JBDPXFVCAUMEFE-YVLHZVERSA-N 325.795 4.808 0 40 EJAB CC[C@@H](C)Sc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccccc1 214018 WWTFNGZUGHSJNH-CYBMUJFWSA-N 349.459 4.758 0 40 EJAB Cc1cccc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)c1 1326680 JPTUQZVXKYYIMM-UHFFFAOYSA-N 336.460 4.625 0 40 EJAB O=C1CCCc2ccc3c(c21)CC1(Cc2cc4c(cc2C1)CCCC4)C3 1645339 XSZYLTISRDNVCQ-UHFFFAOYSA-N 342.482 4.968 0 40 EJAB CCN(CC)[C@@H](C1CCCCC1)[C@H](Cc1cccs1)OC(C)=O 1671252 BDBASLFJMHPDPY-OALUTQOASA-N 337.529 4.513 0 40 EJAB CCC(=O)c1ccc2c(c1)N([C@@H](C)CN(C)C)c1ccccc1S2 1678373 DHNARGHLEOUOQR-AWEZNQCLSA-N 340.492 4.832 0 40 EJAB CCC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2562724 XTAARPJDFFXHGH-ATXQXWCPSA-N 346.511 4.920 0 40 EJAB CCC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 4015077 XTAARPJDFFXHGH-XANOBKEWSA-N 346.511 4.920 0 40 EJAB biogenic O=C(Cc1ccccc1)Nc1nc2c(cc3c4c(cccc42)CC3)s1 4176261 BSQWXSOWTBUFEC-UHFFFAOYSA-N 344.439 4.729 0 40 EJAB CCc1cccc2sc(NC(=O)c3ccc4ncsc4c3)nc12 4325840 UJDROFACKXBUSV-UHFFFAOYSA-N 339.445 4.721 0 40 EJAB CC(C)CC[C@@H](CC(=O)Nc1nccs1)[C@@H]1CCOC(C)(C)C1 5246358 KAHPPHZFDIXLCC-LSDHHAIUSA-N 338.517 4.729 0 40 EJAB Cc1nn([C@H](C)CC(=O)Nc2cc(Cl)cc(Cl)c2)c(C)c1C 7616336 UPEBCMZPPDSZNH-SECBINFHSA-N 340.254 4.705 0 40 EJAB CC(=O)Nc1ccc(-c2nc(COc3ccccc3)sc2C)cc1 8042368 ASTXMWXMZMOBBF-UHFFFAOYSA-N 338.432 4.656 0 40 EJAB Cc1ccc(S[C@H](C(=O)NC2CC2)c2ccc(F)cc2)c(C)c1 12475449 YIQBFASMPGVTKT-SFHVURJKSA-N 329.440 4.555 0 40 EJAB Cc1ccc(/C=C/C(=O)O[C@@H](C)C(=O)c2ccc(C(C)(C)C)cc2)o1 12541827 VNOYYSAEIRACRI-LHNRBYRGSA-N 340.419 4.713 0 40 EJAB CC(=O)Nc1ccc(-c2nc(-c3ccc4c(c3)CCC4)cs2)cc1 12735516 QVVRKCSLLRWGDP-UHFFFAOYSA-N 334.444 4.924 0 40 EJAB CCCCN(C)C(=O)c1ccc(-c2nnc(-c3ccccc3C)o2)cc1 13010851 ZQKNQOBLXYXNRV-UHFFFAOYSA-N 349.434 4.584 0 40 EJAB O=c1[nH]c2c(-c3ccc(Cl)cc3)sc(=S)n2c2ccccc12 15828629 KAXBRFIVDMWGMH-UHFFFAOYSA-N 344.848 4.892 0 40 EJAB Cc1ccccc1[C@@H]1CC(=O)c2c(C)nn(-c3ccc(F)cc3)c2C1 17068776 HCHLIFXGFXWYBO-HNNXBMFYSA-N 334.394 4.541 0 40 EJAB COc1ccc2cc([C@H](C)C(=O)Nc3cc(F)cc(F)c3)ccc2c1 18254779 GYCZLCMPEXFRET-LBPRGKRZSA-N 341.357 4.869 0 40 EJAB Cc1ccc(C(=O)[C@@H](C)Sc2n[nH]c(/C=C/c3ccccc3)n2)cc1 32789374 MKLMBASMSAFUGY-NRMKIYEFSA-N 349.459 4.647 0 40 EJAB COc1ccc2[nH]cc([C@@H]3CCN(Cc4ccc(Cl)cc4)C3)c2c1 57744989 DIEHEYPUACOTSS-OAHLLOKOSA-N 340.854 4.819 0 40 EJAB CN(C)C(=O)Sc1ccc(NC(=O)c2sccc2C2CC2)cc1 65543098 WNLQYOVPDLLONO-UHFFFAOYSA-N 346.477 4.652 0 40 EJAB COc1ccccc1-c1cnc(CNc2cccc([C@@H](C)OC)c2)o1 80757481 VHTSKTKHWIUAML-CQSZACIVSA-N 338.407 4.670 0 40 EJAB c1ccc(OC2CCCC2)c(CN2[C@@H]3CC[C@@H]2c2cccnc2C3)c1 100198436 SHMDXZSSOSXTNJ-DYESRHJHSA-N 334.463 4.665 0 40 EJAB C[C@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)[C@@H]1C[C@@H]2CC[C@@H]1C2 100549373 QQKRIDPKLWUPHG-WGBDABJCSA-N 327.255 4.940 0 40 EJAB CCc1ccc([C@@H](C)NC(=O)c2cc3ccccc3cc2OC)cc1 222639296 ZSBKPBFMYTXQDD-OAHLLOKOSA-N 333.431 4.902 0 40 EJAB Cc1ccc(S[C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCC3)cc1 223156135 QIXNGLGESGHKPI-JKSUJKDBSA-N 339.504 4.842 0 40 EJAB CC[C@H](C)NC(=O)c1ccc(OC)c(CSc2ccc(C)cc2)c1 224333224 HOTGCIAHDPKWQR-HNNXBMFYSA-N 343.492 4.824 0 40 EJAB Cc1cc(C)cc(O[C@@H](Cc2cccc(Cl)c2Cl)C(=O)O)c1 225082702 FKGIWYBYDHEMGI-HNNXBMFYSA-N 339.218 4.685 0 40 EJAB Cc1ccc2[nH]c(-c3ccc(C(=O)N4CCCCCC4)cc3)nc2c1 225263321 CCZYYBJOPMBNHB-UHFFFAOYSA-N 333.435 4.555 0 40 EJAB CO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCc2ccccc2)cc1 225605730 PBFBSNTYXCAWSV-NRFANRHFSA-N 341.451 4.655 0 40 EJAB CO[C@]1(C(=O)Nc2ccc(OCC(C)C)c(C)c2)CCC[C@@H](C)C1 225637684 WVOYMJBLHVQXEW-FOIQADDNSA-N 333.472 4.564 0 40 EJAB COc1cc(C)c(C(=O)N[C@H](C)CCc2ccccc2)cc1C(C)C 225664801 GUFWHMYXBUDYBK-QGZVFWFLSA-N 339.479 4.878 0 40 EJAB CC(C)(C)C(=O)N[C@@H](Sc1ccccc1)C(Cl)(Cl)Cl 364426 XWCXOUXWTBTXFG-NSHDSACASA-N 340.703 4.637 0 40 EJAB Oc1c(Br)cc(Br)cc1-c1ccccc1 393336 FLAJYIKIPQZYAY-UHFFFAOYSA-N 328.003 4.584 0 40 EJAB CCCCC1CCC(C2CCC(C(=O)N3CCOCC3)CC2)CC1 2063841 PDNKYVJUVFPRRA-UHFFFAOYSA-N 335.532 4.648 0 40 EJAB O=c1oc2cc(OCc3cccc(Cl)c3)ccc2c2c1CCCC2 3893157 ZCCJCRHJKRQDLZ-UHFFFAOYSA-N 340.806 4.904 0 40 EJAB Cc1cc2ccccc2n1CC(=O)Nc1ccc(Cl)c(Cl)c1 6964431 GOIHNFIVRKPYPS-UHFFFAOYSA-N 333.218 4.895 0 40 EJAB COc1ccc(C)cc1CSc1nnc(-c2cc(C)cc(C)c2)o1 7743863 SAYUOHDCONMMDF-UHFFFAOYSA-N 340.448 4.963 0 40 EJAB O=C1CCC[C@H]1Sc1ncc(-c2ccccc2)n1-c1ccccc1 7990607 LWYIHHPRLJEPJT-LJQANCHMSA-N 334.444 4.753 0 40 EJAB O=C(NCCc1cccs1)c1cc(-c2ccco2)nc2ccccc12 8133653 LOADEBZSWKAXOF-UHFFFAOYSA-N 348.427 4.529 0 40 EJAB CC[C@@H](C)NCc1cccc(OC)c1OCc1ccc(Cl)cc1 8326026 BCEFZMJGUVIFCC-CQSZACIVSA-N 333.859 4.816 0 40 EJAB CCSc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H](O)CC[C@H]12 8665614 OBPZKZMDIDKGHG-QVSKIWFPSA-N 332.509 4.721 0 40 EJAB COc1ccccc1[C@H](C)NC(=O)CCSc1ccc(Cl)cc1 15471250 PNEAVWVKWJSLBF-ZDUSSCGKSA-N 349.883 4.708 0 40 EJAB Fc1ccc(CCNCc2ccc(OCc3ccccc3)cc2)cc1 16480418 GFVZIOQQCMCNBU-UHFFFAOYSA-N 335.422 4.737 0 40 EJAB Cc1ccc(-c2nn(CC(=O)c3ccc(Cl)cc3)c(=S)o2)cc1 16779474 VWCAVZUNCFQHPH-UHFFFAOYSA-N 344.823 4.717 0 40 EJAB CC(C)C(=O)NC(=S)Nc1ccc(Oc2ccc(Cl)cc2)cc1 21596317 VHIIOPIJNSFXPE-UHFFFAOYSA-N 348.855 4.601 0 40 EJAB CSc1ccc(CN(C)C(=O)c2occc2-c2ccccc2)cc1 27494090 LVNLJWMKAMQZLL-UHFFFAOYSA-N 337.444 4.941 0 40 EJAB CN(C[C@@H](O)c1ccccc1F)C(c1ccccc1)c1ccccc1 28909252 NIVNLPOAKGFAQT-OAQYLSRUSA-N 335.422 4.581 0 40 EJAB Cc1ccc(-c2cc(C(F)(F)F)nc(N3CCC[C@H](C)C3)n2)s1 36612837 UWWWSIANGWSHNN-JTQLQIEISA-N 341.402 4.769 0 40 EJAB CC(C)Oc1ccc(-c2noc(-c3c[nH]nc3-c3ccccc3)n2)cc1 38652390 QSTJCLGSSOJBAW-UHFFFAOYSA-N 346.390 4.581 0 40 EJAB COc1ccc(NC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)cc1 40118803 ZPMCKFJLQDKLOC-IBGZPJMESA-N 342.414 4.887 0 40 EJAB Cc1cc(C)n(-c2nc3ccc(-c4nc5ccccc5o4)cc3s2)n1 40542361 HZWURBILASMNJB-UHFFFAOYSA-N 346.415 4.907 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)cc1 44848506 NEYDLHQASFYLTO-QZTJIDSGSA-N 325.452 4.565 0 40 EJAB C[C@@H](OC(=O)c1cccc(OC(F)F)c1)c1cnc2ccccc2c1 58142704 JOZMOXQVBKVBCO-GFCCVEGCSA-N 343.329 4.754 0 40 EJAB O=C(NCCc1ccccc1)Nc1ccc(NCC2CCCC2)cc1 58244359 ATOVCODQMKZEMX-UHFFFAOYSA-N 337.467 4.653 0 40 EJAB Cc1nc(NCCc2cccnc2)c2c(-c3ccccc3)csc2n1 71797426 PQIFVLINDWXPKN-UHFFFAOYSA-N 346.459 4.716 0 40 EJAB O=C(Nc1ccccc1-n1ccnc1)c1ccc(-c2ccc(F)cc2)o1 71874322 DOEVXAMEXZDILH-UHFFFAOYSA-N 347.349 4.524 0 40 EJAB CCn1ccc2ccc(NC(=O)[C@@H]3CCC[C@H](C(F)(F)F)C3)cc21 72292966 IKGJNXAEGAJXCU-KGLIPLIRSA-N 338.373 4.968 0 40 EJAB CCc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccccc2Cl)cc1 78458059 QKFSZNWJPYNKBP-KGLIPLIRSA-N 331.843 4.547 0 40 EJAB Cc1ccc([C@H]2CSCCN2C(=O)Nc2cccc(C)c2)cc1 84148759 DGODQHPMJDZAFH-GOSISDBHSA-N 326.465 4.625 0 40 EJAB CCCn1c(CN2CCCCC[C@@H]2c2ccncc2)nc2ccccc21 95453818 COXLPAPOEZUSPY-HXUWFJFHSA-N 348.494 4.959 0 40 EJAB O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)[C@@H]1C[C@@H]2CC[C@@H]1C2 100455665 NWMIBZXECKEBCV-MPKXVKKWSA-N 332.856 4.838 0 40 EJAB Cc1c(NC(=O)C2=CCCCC2)cccc1NC(=O)c1ccccc1 126719990 FCHFRJOUUNOWBQ-UHFFFAOYSA-N 334.419 4.686 0 40 EJAB CC[C@H](Oc1ccc(C)cc1)C(=O)NCc1ccc2ccccc2c1 222801795 MKPNPEBXYGFYBM-NRFANRHFSA-N 333.431 4.622 0 40 EJAB CCc1ccc(CCC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1 222976283 QUWOZISAYBFAIV-KRWDZBQOSA-N 335.491 4.938 0 40 EJAB COc1ccc(CC(=O)Nc2ccc(OC3CCCC3)cc2)cc1C 223883171 NDNGMHGMSFHIGA-UHFFFAOYSA-N 339.435 4.506 0 40 EJAB Cc1cc(Cl)ccc1NC(=O)c1cc(-c2ccc(F)cc2)on1 224066560 PJQOJJQKLJZVQY-UHFFFAOYSA-N 330.746 4.695 0 40 EJAB CCCCOCc1cc(C(=O)Nc2ccc(CC)cc2)ccc1OC 224435887 AHUGOEPCZPPETL-UHFFFAOYSA-N 341.451 4.827 0 40 EJAB CCCC[C@@H](CC)CNC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2 225115386 PFJSEXSCQIBIFH-IAGOWNOFSA-N 331.500 4.665 0 40 EJAB Nc1c(-c2ccccc2)c(C(F)(F)F)nn1-c1cccc(Cl)c1 225177100 KKGWSOXCABRRLV-UHFFFAOYSA-N 337.732 4.794 0 40 EJAB Cc1ccc(NC(=S)NCc2ccc(OC(C)C)cc2)cc1C 225445469 RJCYURBMRJJEOU-UHFFFAOYSA-N 328.481 4.577 0 40 EJAB Cc1ccc([C@H](NC(=S)Nc2cccc(C)n2)c2ccccc2)cc1 225512639 BIYXKICBTRISED-HXUWFJFHSA-N 347.487 4.774 0 40 EJAB CCOC1(C(=O)Nc2ccc(O[C@H](C)CC)c(C)c2)CCCCC1 225709981 SJOWFHLHPOITRY-MRXNPFEDSA-N 333.472 4.850 0 40 EJAB CCCC[C@](C)(OC)C(=O)Nc1ccc(OCCC)c2ncccc12 225886340 JZKPYHYAIQZFGK-FQEVSTJZSA-N 344.455 4.557 0 40 EJAB Cc1ccc2oc(=O)c(C(=O)Nc3ccc(Cl)cc3Cl)cc2c1 226036595 JLVBLZCWBIUAIQ-UHFFFAOYSA-N 348.185 4.661 0 40 EJAB O=C1c2ccccc2CN1c1ccc2oc(-c3ccccc3F)nc2c1 226286303 CZRDVMYJQWJSCB-UHFFFAOYSA-N 344.345 4.794 0 40 EJAB COc1cccc([C@@H]2Nc3c(C(=O)O)cccc3[C@@H]3[C@H]4CC[C@@H](C4)[C@H]23)c1 250441487 KIVRFPDDAWMQAB-MELFWRNSSA-N 349.430 4.690 0 40 EJAB Cc1ccccc1CSCC(=O)Nc1cccc(OC(C)C)c1 408575642 OLQIFHQGIQIPOB-UHFFFAOYSA-N 329.465 4.654 0 40 EJAB CC(=O)Nc1c(-c2ccc(Cl)cc2)c(C)nn1Cc1ccccc1 408956010 VQBGJLWHPCPCCI-UHFFFAOYSA-N 339.826 4.519 0 40 EJAB CCCn1c(Cc2ccccc2)nnc1SCc1ccccc1F 409097857 NSZPFFZJKAEWSL-UHFFFAOYSA-N 341.455 4.710 0 40 EJAB COc1cccc2c(C(=O)N[C@@H](C)C(C)(C)c3ccccc3)coc12 1520490964 NNZGSBFZHOTMBP-AWEZNQCLSA-N 337.419 4.538 0 40 EJAB CC(C)c1nc2cc(NC(=O)c3ccc4scnc4c3)ccc2o1 1624712458 XEADHLSPBJAPNQ-UHFFFAOYSA-N 337.404 4.813 0 40 EJAB CCN(CC)c1ccc(NC(=O)Cc2cccc3ccccc23)cc1 72459 GRORXZPDXXQOGU-UHFFFAOYSA-N 332.447 4.867 0 40 EJAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C(C)(C)C 284131 WVTRXJQSELZTKU-UHFFFAOYSA-N 331.437 4.576 0 40 EJAB O=C(NCc1ccc(Cl)c(Cl)c1)Nc1ccccc1Cl 1740976 JXQJWOLLJIAUOC-UHFFFAOYSA-N 329.614 4.969 0 40 EJAB Cc1cc(C)cc(NC(=O)Cn2c3c(c4ccccc42)CCCC3)c1 2887315 BOAZCKKDYXXBMG-UHFFFAOYSA-N 332.447 4.776 0 40 EJAB Cc1ccccc1N1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O 3172504 MQQVVHZGOVUEQB-GDNBJRDFSA-N 329.808 4.889 0 40 EJAB CCCCCC(=O)Nc1sc2c(c1C(=O)OCC)CCCCC2 4154520 VODPLXDTEBCGTF-UHFFFAOYSA-N 337.485 4.713 0 40 EJAB O=C(/C(=C/c1ccccc1Cl)c1ccccc1)N1CCCCC1 4543714 SZDGCONVRWEAJV-OBGWFSINSA-N 325.839 4.893 0 40 EJAB Cc1cc(C)c(OCC(=O)Nc2ccc(C(F)(F)F)cc2)c(C)c1 6392114 NYPPLVOXRYSYNW-UHFFFAOYSA-N 337.341 4.648 0 40 EJAB CC(C)C(=O)Nc1oc2ccccc2c(=O)c1-c1ccc(Cl)cc1 6759944 ONJYGUVGKCQBRH-UHFFFAOYSA-N 341.794 4.708 0 40 EJAB Cc1sc(NC(=O)Cc2c[nH]c3ccccc23)nc1-c1ccccc1 6968796 TUMLQRCRRCXWQP-UHFFFAOYSA-N 347.443 4.781 0 40 EJAB CC(C)c1ccccc1NC(=O)CN1CCC[C@@H]1c1cccs1 8320491 AGKLKHFSLZBCFF-QGZVFWFLSA-N 328.481 4.647 0 40 EJAB O=C(NCc1ccco1)c1ccccc1-c1ncc(-c2ccccc2)o1 8327816 CACJZDYNWYDCPQ-UHFFFAOYSA-N 344.370 4.532 0 40 EJAB O=C(CN1CCC[C@H]1c1ccccc1)Nc1ccc(Cl)cc1Cl 10311202 IKENZHSJKJBYQZ-KRWDZBQOSA-N 349.261 4.769 0 40 EJAB CC(C)(C)NCc1ccc(OCc2ccccc2)c(Br)c1 10436529 UEJNABDYSCIEBP-UHFFFAOYSA-N 348.284 4.916 0 40 EJAB O=C(Nc1ccc(SC(F)F)cc1)c1cc(-c2ccccc2)on1 11916716 GXEGIUBIMGDYOG-UHFFFAOYSA-N 346.358 4.909 0 40 EJAB CCC[C@@H](C(=O)Nc1ccc2c(C)cc(=O)oc2c1)c1ccccc1 12781055 INFZUFVDGCQFKI-GOSISDBHSA-N 335.403 4.624 0 40 EJAB O=C(/C=C/c1ccco1)N1CCCC[C@H]1c1nc2ccccc2s1 12925246 MNGIZUSZLQJHHU-OFAQMXQXSA-N 338.432 4.656 0 40 EJAB Cc1ccc(C)c(O[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)c1 13710270 HWWIKLWYWZOSHD-CYBMUJFWSA-N 337.341 4.728 0 40 EJAB Cc1cccc(Nc2ccccc2C(=O)N(C)Cc2ccco2)c1C 17790576 KXJUFSJFHIJVME-UHFFFAOYSA-N 334.419 4.912 0 40 EJAB Fc1cccc(CN[C@@H](Cc2ccsc2)c2nccs2)c1F 19292768 ROPFNLNCASTPEQ-AWEZNQCLSA-N 336.432 4.556 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccccc2Cl)c(C)c1 20460763 ZOMITSSNCJWJEH-CABCVRRESA-N 331.843 4.602 0 40 EJAB O=C(Nc1cccc(-c2nc(-c3ccccc3)no2)c1)c1cccs1 20899993 SWBMWVVUGCVRRY-UHFFFAOYSA-N 347.399 4.717 0 40 EJAB CCOC(=O)CCCCCCC(=O)c1cc(F)c(F)cc1Cl 43214398 RNQHLAWKWYNVEG-UHFFFAOYSA-N 332.774 4.705 0 40 EJAB CC[C@@H](NC(=O)COc1ccccc1C(C)C)c1ccc(C)cc1 59351750 FQZZKJNLWDEAOS-LJQANCHMSA-N 325.452 4.765 0 40 EJAB FC(F)n1ccnc1CSc1ncc(C(F)(F)F)cc1Cl 73121664 NILOEBSWVZQUQA-UHFFFAOYSA-N 343.708 4.638 0 40 EJAB O=C(NCCc1cccs1)c1c(Cl)ccc(Cl)c1Cl 79055818 RNYNUTRXVGIQTL-UHFFFAOYSA-N 334.655 4.681 0 40 EJAB COc1cccc(CN(C)C(=O)Nc2cc(C)c(C)c3ncccc23)c1 84083456 USBJQPHNJGJDGX-UHFFFAOYSA-N 349.434 4.524 0 40 EJAB Fc1ccc(F)c(COc2ccc(Cl)cc2Br)c1 95915322 AFEYYKIMXLSJTC-UHFFFAOYSA-N 333.559 4.960 0 40 EJAB CSc1ccc(/C=C/C(=O)N2CCC(c3ccsc3)CC2)cc1 96120617 YADPQEIRLCJBGW-QPJJXVBHSA-N 343.517 4.889 0 40 EJAB Cc1cc(=O)oc2c3c(ccc12)OC(=O)C[C@@H]3c1ccc(C(C)C)cc1 96221738 AWOIXPBHMYXUGE-QGZVFWFLSA-N 348.398 4.666 0 40 EJAB biogenic CC(=O)[C@H]1CC[C@H]2[C@@H]3CC(C)=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 118917673 IQGZWLYDESGLID-WKHXEXGJSA-N 330.512 4.905 0 40 EJAB CC[C@H](NC(=O)C1(c2ccccc2)CCCC1)c1ccc(OC)cc1 224335632 DQSUNQXITXSROH-FQEVSTJZSA-N 337.463 4.775 0 40 EJAB CC(C)c1ccc(CCCNC(=O)Cc2cccc(Cl)c2)cc1 225834649 WKNOLRWSODGURI-UHFFFAOYSA-N 329.871 4.755 0 40 EJAB CCCCOc1ccc(NC(=O)[C@@]2(OCCC)CCC[C@@H](C)C2)cn1 225910675 SPASZNDRDMZJKO-OXQOHEQNSA-N 348.487 4.575 0 40 EJAB O=C(N[C@@H](c1ccsc1)c1cccs1)c1cccc(Cl)c1 390826372 JIXDHCFQHNZUMI-HNNXBMFYSA-N 333.865 4.982 0 40 EJAB Cc1ccc2[nH]c(C(=O)Nc3cc(-c4ccccc4C)[nH]n3)c(C)c2c1 1637271204 IWMXWPGAKYUCLN-UHFFFAOYSA-N 344.418 4.736 0 40 EJAB Clc1cccc(CSc2nnc3sc4ccccc4n23)c1 98934 SDDUHCYWAFDZNV-UHFFFAOYSA-N 331.853 4.890 0 40 EJAB Cc1ccc(NC(=O)c2ccc(CSc3ncccn3)cc2)c(C)c1 115770 YMPZBQQMNBDCPR-UHFFFAOYSA-N 349.459 4.638 0 40 EJAB CCOc1ccc(C(=O)CCCC(=O)c2ccc(OCC)cc2)cc1 340726 NFWKCADYCQAXMP-UHFFFAOYSA-N 340.419 4.720 0 40 EJAB Cc1ccc(C)c(NC(=O)COc2ccc3oc4c(c3c2)CCCC4)c1 348653 MXRCQLCESCVRER-UHFFFAOYSA-N 349.430 4.946 0 40 EJAB Cc1cc2ccccc2nc1SCC(=O)N1c2ccccc2C[C@@H]1C 416354 OVKWWWAGLGENLJ-HNNXBMFYSA-N 348.471 4.613 0 40 EJAB O=C1[C@H](Cc2ccc(Cl)c(Cl)c2)Sc2nc3ccccc3n21 548869 KXKKEUBWWMZANG-AWEZNQCLSA-N 349.242 4.700 0 40 EJAB CCCCCCOC(=O)c1ccccc1NC(=O)c1ccccc1 1777856 VNSALSDFFCGBPM-UHFFFAOYSA-N 325.408 4.676 0 40 EJAB C[C@H]1CCCCN1Cc1cc(=O)oc2cc(-c3ccccc3)c(O)cc12 2118581 RFBOJWYFYNPANN-HNNXBMFYSA-N 349.430 4.540 0 40 EJAB biogenic Cc1ccc(-n2nc(C)cc2Nc2ncc(Cl)cc2Cl)cc1 3290227 LXLHADZMTFWVBR-UHFFFAOYSA-N 333.222 4.935 0 40 EJAB Cc1ccc(C(=O)Nc2cccc(-c3cn4ccsc4n3)c2)cc1C 5083509 ZAPBCLLYBUFSAG-UHFFFAOYSA-N 347.443 4.932 0 40 EJAB O=c1nc2n(c3ccccc13)CC/C2=C\c1ccc(Cl)cc1Cl 5452126 IYNWUKIDQLYGGY-FMIVXFBMSA-N 343.213 4.648 0 40 EJAB Cc1ccc([C@H](C)NC(=O)CSCc2ccc(F)cc2)cc1C 7146505 LFQMZNHMUZQPMW-HNNXBMFYSA-N 331.456 4.553 0 40 EJAB CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc2c(c1)OCO2 7668978 VBRIHHHHIRDDCC-UHFFFAOYSA-N 325.408 4.914 0 40 EJAB COc1ccc(Cl)cc1NC(=O)CNc1cccc2ccccc12 7955360 SFIAVBIRIMPALX-UHFFFAOYSA-N 340.810 4.552 0 40 EJAB COc1ccccc1CC(=O)Nc1ccccc1Oc1cccc(C)c1 8345139 YBGBGICDSSHTRL-UHFFFAOYSA-N 347.414 4.977 0 40 EJAB CCC(=O)N([C@H](c1ccc(OC)cc1)C(C)C)[C@@H]1CCOC(C)(C)C1 9049210 KHZRESOVCBXIDW-XLIONFOSSA-N 347.499 4.589 0 40 EJAB Cc1cc(C)c2[nH]c(=O)c(CNc3cc(Cl)ccc3C)cc2c1 12493031 WRVLERAKSZRWJG-UHFFFAOYSA-N 326.827 4.719 0 40 EJAB CCn1c(SCc2cc(OC)c(OC)cc2C)nc2ccccc21 12632259 KFHVQKWROYNHSF-UHFFFAOYSA-N 342.464 4.674 0 40 EJAB COc1ccc(NC(=O)[C@H](C)N[C@H](C)c2ccc3ccccc3c2)cc1 12754302 LSMFEVRVLVSGJC-CVEARBPZSA-N 348.446 4.526 0 40 EJAB COc1cccc(NC[C@H](C)Oc2ccc(Cl)cc2Cl)c1 19737873 KRHDEYIVUSJLLT-NSHDSACASA-N 326.223 4.881 0 40 EJAB Cc1ccc([C@H](C)NC(=O)[C@H](C)Oc2cccc(Cl)c2)c(C)c1 20108179 XZXPPKUWWQFAJV-GJZGRUSLSA-N 331.843 4.602 0 40 EJAB CCOc1ccccc1NC(=O)[C@@H](CC)Oc1ccccc1Cl 20110201 GTHSFXKANBAJFF-OAHLLOKOSA-N 333.815 4.535 0 40 EJAB COC1(OC)CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@@H]3CC[C@@]23CO3)C1 20275722 PQMPPACKUYBMIW-ZWJPJJENSA-N 346.511 4.707 0 40 EJAB O=C(Nc1cccc(Cl)c1)N(Cc1ccco1)c1ccccn1 20896996 XMPHOPBGEIFXCW-UHFFFAOYSA-N 327.771 4.567 0 40 EJAB O=C(c1cc2ccccc2o1)N(Cc1ccc2[nH]ccc2c1)C1CC1 32090591 CFPSQLBLGSXXQO-UHFFFAOYSA-N 330.387 4.719 0 40 EJAB Cc1ccc(-c2cc(C(F)(F)F)nc(NC3CCCC3)n2)s1 36613196 AGZMMSFDZYTWJY-UHFFFAOYSA-N 327.375 4.887 0 40 EJAB CN(Cc1cccc(F)c1)C(=O)Nc1ccc(C(F)(F)F)cc1 40097890 PMYOPRWZPMJGTK-UHFFFAOYSA-N 326.293 4.508 0 40 EJAB O=C(Nc1cccnc1Cl)c1ccc(OCc2ccccc2)cc1 57316168 RDHPPJYJIOFWLL-UHFFFAOYSA-N 338.794 4.566 0 40 EJAB CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1CC 72215030 UKMCBZDDGUOZNB-QGZVFWFLSA-N 347.503 4.780 0 40 EJAB Cc1cccc2c1C(=O)N[C@@H](c1ccc(-c3cccs3)cc1F)N2 84229758 NTAIQVCAKQOACZ-SFHVURJKSA-N 338.407 4.717 0 40 EJAB COc1ccc(C(=O)Nc2ccc(OC3CCCC3)cc2)cc1C 223248474 NLKWHODXCBKOJB-UHFFFAOYSA-N 325.408 4.577 0 40 EJAB FC(F)(F)c1ccc(NC(=S)NCCCc2ccccc2)cc1 225384968 NSNGYBGVEZQXTD-UHFFFAOYSA-N 338.398 4.625 0 40 EJAB COc1cc(C)c(S(=O)(=O)Nc2c(C)cccc2C)cc1C(C)C 225493222 HWGQQWCJTBMIIN-UHFFFAOYSA-N 347.480 4.545 0 40 EJAB CCCOc1c(C)cc(NC(=O)[C@](C)(CC(C)C)OCC)cc1C 225690496 XDMYMURWWYIREN-FQEVSTJZSA-N 335.488 4.872 0 40 EJAB CCc1ccc(NC(=O)c2snnc2-c2ccc(Cl)cc2)cc1 225769570 MYZMZCYSKNMCRV-UHFFFAOYSA-N 343.839 4.673 0 40 EJAB Cc1cc(-c2cc(C(F)(F)F)nn2[C@H]2CCO[C@@H](C)C2)c(C)o1 634609896 MENPGSJBXZJHSK-CABZTGNLSA-N 328.334 4.519 0 40 EJAB C[C@@H]1CN=C(N(C(=O)Nc2cccc(Cl)c2)c2ccccc2)S1 162685 LYYXFXPGLHSXBD-GFCCVEGCSA-N 345.855 4.870 0 40 EJAB Cc1ccc(-c2nc(Nc3cccc(C)c3)sc2CC(=O)O)cc1 563355 XXJFRMNDHWGRLM-UHFFFAOYSA-N 338.432 4.798 0 40 EJAB Nc1cccc(-c2cc(-c3ccccc3)nc(-c3cccc(N)c3)n2)c1 2474891 HZUAVTORYLLBPX-UHFFFAOYSA-N 338.414 4.642 0 40 EJAB COc1ccc2oc(C(=O)Nc3ccc(OC)c(Cl)c3)c(C)c2c1 3517156 VSJASTANCKQMCR-UHFFFAOYSA-N 345.782 4.664 0 40 EJAB Cc1cccc(-c2nc(C)c(CCNC(=O)C3CCCCC3)s2)c1 4338430 HRYLEXJEMFRJPD-UHFFFAOYSA-N 342.508 4.666 0 40 EJAB CCCOc1cc(O)c(-c2n[nH]cc2-c2nc(C)cs2)cc1CC 4807542 OKUCEMHOKVNGID-UHFFFAOYSA-N 343.452 4.565 0 40 EJAB O=C(Nc1ccc(Br)cc1)Nc1c[nH]c2ccccc12 5299941 SUHWJVYRTNIMGJ-UHFFFAOYSA-N 330.185 4.574 0 40 EJAB Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1N1CCCC1=O 5440753 HFKNASJZAFHYGY-UHFFFAOYSA-N 344.414 4.527 0 40 EJAB c1csc(NC(Nc2nccs2)C23CC4CC(CC(C4)C2)C3)n1 5662972 RWBGCSDECSFGJG-UHFFFAOYSA-N 346.525 4.666 0 40 EJAB Cc1cc(C)c(NC(=O)COc2cccc(C(F)(F)F)c2)c(C)c1 6231859 JWTPLYFAFVHLDC-UHFFFAOYSA-N 337.341 4.648 0 40 EJAB COc1cccc(C(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)c1 6343291 SQBOCSLRPHOTFY-INIZCTEOSA-N 331.415 4.853 0 40 EJAB CN(Cc1ccccc1F)C(=O)c1ccc(Oc2ccccc2)cc1 6602342 XPJDLESLINUTQE-UHFFFAOYSA-N 335.378 4.890 0 40 EJAB COc1ccc(NC(=O)Cc2coc3cc(C)cc(C)c23)cc1Cl 6809780 HPXGQSOHSGJPEU-UHFFFAOYSA-N 343.810 4.893 0 40 EJAB Cc1ccc(NC(=S)Nc2ccc(N3CCCCC3)cc2)cc1 7527894 ZDSOIWZXWIHBKZ-UHFFFAOYSA-N 325.481 4.794 0 40 EJAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 8041040 LPOOFSOZZITTLK-INIZCTEOSA-N 337.341 4.810 0 40 EJAB CC(C)Cn1nccc1NC(=O)CC(c1ccccc1)c1ccccc1 9909096 AZOVPYNLTKQPSD-UHFFFAOYSA-N 347.462 4.700 0 40 EJAB Cc1ccc(CCCNC(=O)CCc2ccc(C(C)(C)C)cc2)cc1 10110551 KXFCXLLXFKIZQN-UHFFFAOYSA-N 337.507 4.974 0 40 EJAB Cn1cc(C(=O)N[C@H](c2ccccc2)c2cccs2)c2ccccc21 12111232 MCELWYQNTWGAJL-HXUWFJFHSA-N 346.455 4.759 0 40 EJAB CC(C)OCCSc1nnc(Nc2ccc(C(C)C)cc2)s1 12597756 HMJBZUWQTBANAO-UHFFFAOYSA-N 337.514 4.922 0 40 EJAB Cc1nc(-c2cccs2)sc1C(=O)N[C@@H](C)c1ccccc1 12931847 GGEGZUQSLWCTHG-NSHDSACASA-N 328.462 4.671 0 40 EJAB CC(C)c1ccc(/C=C/C(=O)Nc2cc(C(=O)O)ccc2Cl)cc1 13167943 BGJYHJHABTZYLQ-BJMVGYQFSA-N 343.810 4.814 0 40 EJAB COC(=O)c1ccc(NC(=O)c2cccc3c(Cl)cccc23)cc1 14258276 FKNWIQHROLNSHZ-UHFFFAOYSA-N 339.778 4.532 0 40 EJAB Cc1cc(C)c2c(CC(=O)Nc3ccc(OC(F)F)cc3)coc2c1 16753676 BBTZQARRCJEKDV-UHFFFAOYSA-N 345.345 4.832 0 40 EJAB CCCC[C@@H](CCC(=O)Nc1ccc(Cl)cc1Cl)C(=O)O 26807723 FDEYDAPDJJAOSS-JTQLQIEISA-N 332.227 4.603 0 40 EJAB CC(C)c1noc([C@@H](C)Sc2nccn2-c2ccc(Cl)cc2)n1 27810493 PZRVSGBHWOBXIB-LLVKDONJSA-N 348.859 4.885 0 40 EJAB CCOc1ccc([C@H](C)NC(=O)N(C)[C@@H](C)c2ccc(F)cc2)cc1 32889620 ATDZSBZISWKXQF-GJZGRUSLSA-N 344.430 4.688 0 40 EJAB S=C1NC2=C(CCC/C2=C/c2ccccc2)[C@@H](c2ccccc2)N1 57531540 OIWFTKSWHDPJCN-RBAUTDOXSA-N 332.472 4.727 0 40 EJAB Cc1ccn2cc(-c3ccc4c(c3)C[C@@H](C)N4C(=O)C(C)(C)C)nc2c1 57775268 ILESNDVQFOZJQJ-OAHLLOKOSA-N 347.462 4.633 0 40 EJAB O=C(Nc1cccc(-n2cc[nH]c2=S)c1)c1cc2ccccc2o1 57986094 ORRAHPDMLBBHQD-UHFFFAOYSA-N 335.388 4.533 0 40 EJAB CCCCN(C(=O)c1cc(C)cc(C)c1)C1CC(C)(C)NC(C)(C)C1 57991729 WQLMEAUFXBPMKK-UHFFFAOYSA-N 344.543 4.855 0 40 EJAB O=C([C@H]1CCCc2ccccc21)N(C1CC1)[C@H]1CCc2ccccc21 58101914 AJDKPIAOUZKFQR-VXKWHMMOSA-N 331.459 4.785 0 40 EJAB COc1cc2c(C(C)=O)c(C)n(-c3ccc(C)cc3)c2cc1C(C)=O 68755264 QZLBRQYKQNHCTB-UHFFFAOYSA-N 335.403 4.661 0 40 EJAB CC(C)(C)OC(=O)N1CCC(C)(C)c2ccc(Br)cc21 98180680 GBBLAURYXGKBHF-UHFFFAOYSA-N 340.261 4.872 0 40 EJAB in-vitro Cc1nc(-c2ccccc2NC(=O)Cc2ccc(F)cc2F)cs1 206896043 JXCSIDLBYXLGIT-UHFFFAOYSA-N 344.386 4.578 0 40 EJAB CC[C@@H](NC(=O)[C@H](C)Oc1ccccc1Cl)c1ccc(C)c(C)c1 219060610 OGMWGYOLMPJHOF-MAUKXSAKSA-N 345.870 4.992 0 40 EJAB CCc1ccc(O[C@@H](CC)C(=O)NCCSC2CCCCC2)cc1 222879742 GZZAWFBKRFWYGC-IBGZPJMESA-N 349.540 4.589 0 40 EJAB Cc1ccc(O[C@@H](C)C(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1 223452411 OIEPTXJJIOJJRZ-MSOLQXFVSA-N 325.452 4.565 0 40 EJAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NC(C)(C)Cc2ccccc2)c1 223573305 ORJHMDBSVKTYQD-SFHVURJKSA-N 339.479 4.517 0 40 EJAB Cc1nc(-c2nc(O)c3c(-c4ccccc4)c(C)sc3n2)cs1 614434597 BDEQHJUGHIWTSQ-UHFFFAOYSA-N 339.445 4.804 0 40 EJAB COc1ccccc1-c1nn(CNc2cc(C)ccc2C)c(=S)o1 55036 UMKMSEATLIIWQO-UHFFFAOYSA-N 341.436 4.568 0 40 EJAB Oc1c(Br)cc(Br)cc1C1CCCCC1 1627270 FWJGNLDNTRUAGF-UHFFFAOYSA-N 334.051 4.965 0 40 EJAB CCN(CC)[C@@H](C1CCCCC1)[C@@H](Cc1cccs1)OC(C)=O 1671250 BDBASLFJMHPDPY-MOPGFXCFSA-N 337.529 4.513 0 40 EJAB CCc1ccc2nc(NC(=O)Nc3ccccc3OC)sc2c1 2640233 AOTVPLYLYMBWRL-UHFFFAOYSA-N 327.409 4.511 0 40 EJAB COc1ccc(OC)c(/C=C/C(=O)Nc2cccc3ccccc23)c1 3353040 DFNQIVVMEXBNPC-JLHYYAGUSA-N 333.387 4.509 0 40 EJAB Cc1ccccc1-c1nnc(NC(=O)c2cccc3ccccc23)s1 4072290 DVOQIYBZWQLSIY-UHFFFAOYSA-N 345.427 4.919 0 40 EJAB Cc1nc2c(-c3cccs3)cnn2c(C)c1Cc1cccc(F)c1 4089221 SJZIMWOGDXVAOW-UHFFFAOYSA-N 337.423 4.805 0 40 EJAB CCOc1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 5465487 WQTYZNRPZJNBDD-UHFFFAOYSA-N 347.414 4.917 0 40 EJAB O=C(c1cccs1)N(Cc1ccc(Cl)cc1)Cc1ccco1 6810574 GVETZOVFWRBTCI-UHFFFAOYSA-N 331.824 4.837 0 40 EJAB COc1cc(NC2c3ccccc3-c3ccccc32)cc(OC)c1OC 7224149 LITPMOJMHJLKRG-UHFFFAOYSA-N 347.414 4.894 0 40 EJAB CC(C)(C)n1nc2c(c1NC(=O)CCC1CCCCC1)CSC2 9391570 YZSQZFKZJIXVKY-UHFFFAOYSA-N 335.517 4.684 0 40 EJAB Cc1ccc(C(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)cc1 10542686 HMYVQMCLWURRFX-UHFFFAOYSA-N 349.405 4.643 0 40 EJAB Cc1nn(CC(C)C)c2sc(C(=O)N[C@@H](C)c3ccccc3)cc12 12855827 CLKONFUCIDENBD-ZDUSSCGKSA-N 341.480 4.553 0 40 EJAB CC[C@H](C)NC(=O)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 12901626 YASPFRYMLKAELU-ZDUSSCGKSA-N 338.382 4.676 0 40 EJAB Cc1ccc(-c2nc(C(=O)N(C)Cc3cccc(F)c3)cs2)cc1 12982689 MEUJFKDDDXYANE-UHFFFAOYSA-N 340.423 4.530 0 40 EJAB Cc1ccc(-n2c(S)nnc2COc2cccc3ccccc23)cc1 13535188 HUXSLJACCZAMHQ-UHFFFAOYSA-N 347.443 4.597 0 40 EJAB Cc1cccc(CCCNC(=O)CSCc2cccc(Cl)c2)c1 13670480 CTEFSZVFDKGNBW-UHFFFAOYSA-N 347.911 4.631 0 40 EJAB CCc1cc2c(=O)[nH]c(-c3ccc(-c4ccc(O)cc4)cc3)nc2s1 18203843 RUTKUVKECZYNHO-UHFFFAOYSA-N 348.427 4.587 0 40 EJAB O=C(Nc1ccc(-c2nc3ccccc3o2)c(O)c1)c1cccs1 20158461 CTNMLHUWAPJHHC-UHFFFAOYSA-N 336.372 4.514 0 40 EJAB CN(Cc1ccccc1)C(=O)c1ccccc1CCc1ccccc1 20219920 LFUOMFWLIJCCRB-UHFFFAOYSA-N 329.443 4.744 0 40 EJAB CCSc1ccccc1NC(=O)[C@@H](CC)Oc1ccccc1C 20456375 KTEMOZLISDLJEO-MRXNPFEDSA-N 329.465 4.903 0 40 EJAB COc1ccc(CCNCc2ccc(-c3ccc(Cl)cc3)o2)cc1 22076537 RRAYZALBTLLDIV-UHFFFAOYSA-N 341.838 4.941 0 40 EJAB O=C(NCc1ccccc1)N1Cc2ccccc2[C@@H](c2ccccc2)C1 25251373 ZGUSTHFUWUPUIZ-JOCHJYFZSA-N 342.442 4.544 0 40 EJAB CC(C)(C)c1ccc(OCc2nc(-c3ccc(F)cc3)no2)cc1 35672114 UAMJZSUAMZBYSQ-UHFFFAOYSA-N 326.371 4.752 0 40 EJAB C[C@H](NCc1csc(-c2ccccn2)n1)c1ccccc1Cl 40039178 BVFJSQKVFCRTMZ-LBPRGKRZSA-N 329.856 4.709 0 40 EJAB CC(C)(C)c1ccc(OCCCn2c(C=O)nc3ccccc32)cc1 41058293 IBTBAQPDMHVZEC-UHFFFAOYSA-N 336.435 4.615 0 40 EJAB CCc1cccc(N[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)c1 48254038 ODPNAWVUNYJKMJ-GFCCVEGCSA-N 336.357 4.707 0 40 EJAB CCOC(=O)c1ccc(NC(=S)Nc2cccc(C(C)C)c2)cc1 57766801 YWLQJHLSZWYPIA-UHFFFAOYSA-N 342.464 4.796 0 40 EJAB CCn1c2ccccc2c2cc(NC(=O)/C=C/c3cscn3)ccc21 64863748 SEXRYOKCSUGIHL-CSKARUKUSA-N 347.443 4.923 0 40 EJAB O=C(Nc1ccc(SC(F)F)cc1)N(Cc1cccnc1)C1CC1 69566852 BPIQYDITIILQHK-UHFFFAOYSA-N 349.406 4.593 0 40 EJAB CC(C)n1ccc2c(NC(=O)c3ccc4ccn(C)c4c3)cccc21 70666607 AQEPHHJBVNDUTQ-UHFFFAOYSA-N 331.419 4.966 0 40 EJAB biogenic COc1ccc(-c2nn(-c3ccccc3)cc2-c2cc(C)no2)cc1 71195159 YJKDIRJGMFCIHM-UHFFFAOYSA-N 331.375 4.511 0 40 EJAB COc1ccc(NC(=S)Nc2cccc(C(C)C)c2)cc1OC 71326233 UFKSUKUVNXZFSO-UHFFFAOYSA-N 330.453 4.636 0 40 EJAB CC[C@H](C)c1ccc(S(=O)(=O)Nc2cnc3ccccc3c2)cc1 72414235 GAZVMOLRAPYPMX-AWEZNQCLSA-N 340.448 4.549 0 40 EJAB CC(C)[C@@H]1SCC(O)=Nc2c1cnn2Cc1ccc(Cl)cc1 79495485 TZRVBDXSUJKWTA-HNNXBMFYSA-N 335.860 4.617 0 40 EJAB Cc1ccnc(N(Cc2ccc(F)c(F)c2)C(=O)OC(C)(C)C)c1 199710415 RZEXUVNJKZGEFL-UHFFFAOYSA-N 334.366 4.610 0 40 EJAB CC[C@@H](C(=O)c1ccc(OCCN2CCCC2)cc1)c1ccccc1 204558299 JGRFUEFYAPDMBT-OAQYLSRUSA-N 337.463 4.538 0 40 EJAB Cc1ccc(O[C@H](C)C(=O)N[C@@H](CC(C)C)c2ccccc2)c(C)c1 219530684 NOSCQJZXJUUZJY-QUCCMNQESA-N 339.479 4.974 0 40 EJAB Cc1ccc([C@H](C)NC(=O)CSCc2ccccc2F)cc1C 222712027 CFHLITQSLZVOIX-HNNXBMFYSA-N 331.456 4.553 0 40 EJAB O=C(NCCOc1ccc2ccccc2c1)Nc1ccc(Cl)cc1 223638352 BJPIPCGBKHWXND-UHFFFAOYSA-N 340.810 4.694 0 40 EJAB CCc1ccc(NC(=S)N[C@H](C)COc2ccc(C)c(C)c2)cc1 225789677 FIJLWUBZUQSZEA-MRXNPFEDSA-N 342.508 4.620 0 40 EJAB CCOC1(C(=O)Nc2ccc(OC)c3ccccc23)CCC(C)CC1 225835084 QLZZJZADXXMMKN-UHFFFAOYSA-N 341.451 4.772 0 40 EJAB Cc1ccc(NC(=S)NC2(c3ccccc3Cl)CCCC2)nc1 225872481 ACVXORICCMKJTG-UHFFFAOYSA-N 345.899 4.799 0 40 EJAB O=C(Nc1ncc(Cc2ccccc2Cl)s1)c1ccccc1 127583 ADOGIMADLFJDME-UHFFFAOYSA-N 328.824 4.640 0 40 EJAB Cc1nn(C(=O)c2sc3ccccc3c2Cl)c(C)c1Cl 191576 GJEPFMZLVSAUHD-UHFFFAOYSA-N 325.220 4.710 0 40 EJAB CCN(C(=O)C(C)C)c1nnc(-c2ccc(C(C)(C)C)cc2)s1 1356403 KSLZJZRUURJURC-UHFFFAOYSA-N 331.485 4.512 0 40 EJAB CC[C@@H](C)c1ccccc1OCC(=O)Nc1cc(C)ccc1OC 3312661 KBJSZNCJNVPUAE-OAHLLOKOSA-N 327.424 4.535 0 40 EJAB CCC(=O)Nc1c(C(=O)Nc2ccc(Cl)cc2)oc2ccccc12 4162547 VXAAIPALNZIDNN-UHFFFAOYSA-N 342.782 4.687 0 40 EJAB CC(C)(C)c1nnc2n1N=C(c1ccc(-c3ccccc3)cc1)CS2 4614670 YFVBZQXCMLFCMI-UHFFFAOYSA-N 348.475 4.601 0 40 EJAB Cc1nc2ccccc2n1CCC(=O)Nc1cccc2ccccc12 5208586 ZWKICZLEFZIGTB-UHFFFAOYSA-N 329.403 4.527 0 40 EJAB O=C(NCc1ccc(Cl)cc1Cl)c1cccc(C(F)(F)F)c1 6284610 GFISRFSSJWWFEU-UHFFFAOYSA-N 348.151 4.942 0 40 EJAB O=C(Nc1ccc(F)cc1)c1ccc(-c2nc3ccccc3s2)o1 7780436 OLOCSRGATXGQNJ-UHFFFAOYSA-N 338.363 4.948 0 40 EJAB Cc1cc(C(=O)CSc2ncnc3sc(C)c(C)c23)c(C)s1 7824772 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CCc1ccc(NC(=S)NCc2cccc(OC(C)C)c2)cc1 225523147 HMLCDZISJUFYNT-UHFFFAOYSA-N 328.481 4.523 0 40 EJAB CCOc1cccc(NC(=S)N[C@H](C)c2ccc(C)c(C)c2)c1 225707253 UBHHFCHIVHLETF-OAHLLOKOSA-N 328.481 4.750 0 40 EJAB C[C@]12CC[C@@H]3[C@H](CC[C@]4(C)CC5(CC[C@]34C)OCCO5)[C@H]1CCC2=O 245239219 GOQSFMJREPWSEI-SCXSLKHRSA-N 346.511 4.731 0 40 EJAB O=C(O)c1cc2cc(CN3CCC[C@@H]3CCc3ccccc3)ccc2o1 520823356 BLZWDMALJQFIIA-LJQANCHMSA-N 349.430 4.728 0 40 EJAB CC(C)c1cc(Br)cc(CNC(=O)OC(C)(C)C)c1 1083805758 YTRZSMAGYGKDTR-UHFFFAOYSA-N 328.250 4.597 0 40 EJAB Cc1ccc2c(c1)c1c3n2CCN(C(=O)c2ccccc2F)[C@H]3CCC1 105626 SREQSSNYTYQMGW-FQEVSTJZSA-N 348.421 4.622 0 40 EJAB COc1ccc(Nc2nc3ccccc3n2Cc2ccccc2)cc1 513366 VVAMEGBDMWMBEQ-UHFFFAOYSA-N 329.403 4.837 0 40 EJAB O=C(OC[C@H]1CC1(Cl)Cl)c1sc2ccccc2c1Cl 3214929 IEJJVKUYIMEVCY-SSDOTTSWSA-N 335.639 4.905 0 40 EJAB CCc1c(-c2ccccc2)c(=O)oc2ccc(Br)cc12 3255810 RBHFWDOUULYDPV-UHFFFAOYSA-N 329.193 4.785 0 40 EJAB C/C=C/[C@@H]1OC[C@]2(COC(=O)NCCCCC)[C@@H](C)C=C(C)[C@H]1[C@H]2C 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CCOc1ccc(NC(=O)c2csc(-c3cccs3)n2)cc1 13002192 JQSKEFNKHMTAGM-UHFFFAOYSA-N 330.434 4.523 0 40 EJAB COc1ccc(C(=O)N[C@H](Cc2ccccc2)c2ccccc2)cc1F 17604643 JKLUGCQTILGDGL-HXUWFJFHSA-N 349.405 4.548 0 40 EJAB O=C(Cc1noc2ccccc12)Nc1ccccc1-c1ccccc1 19199702 RVDYZMGJJNEKRN-UHFFFAOYSA-N 328.371 4.676 0 40 EJAB O=C(Nc1nc2ccccc2s1)N1CCC[C@@H]1Cc1ccccc1 25314294 NNJWJFBREVGBFB-OAHLLOKOSA-N 337.448 4.535 0 40 EJAB COc1ccc(NC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)cc1 40118802 ZPMCKFJLQDKLOC-LJQANCHMSA-N 342.414 4.887 0 40 EJAB COc1ccccc1[C@@H]1CC(O)=Nc2c(-c3ccccc3)nsc21 40267997 UXWWTXWHMUHUKS-AWEZNQCLSA-N 336.416 4.942 0 40 EJAB CCCCc1ccc(NC(=O)COc2cc(C)cc(C)c2C)cc1 40868498 DUIIHPVSNDETQH-UHFFFAOYSA-N 325.452 4.972 0 40 EJAB Cc1cn2cc(NC(=O)c3cccc(Oc4ccccc4)c3)ccc2n1 69516236 UZKPYTNNWLBQAZ-UHFFFAOYSA-N 343.386 4.687 0 40 EJAB O=C(N[C@H](c1ccccc1)C1CCCCC1)[C@H]1C[C@@H]1c1cccnc1 84522161 LRWNYPQKAPOWHN-QHAWAJNXSA-N 334.463 4.623 0 40 EJAB c1csc(Cn2cccc2CN2CCC(OC3CCCC3)CC2)c1 92758557 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348.821 4.834 0 40 EJAB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OC2CCCC2)cc1 225622019 WTRLDLDYNDZJTO-HXUWFJFHSA-N 333.472 4.932 0 40 EJAB CCc1ccc2oc(-c3ccc(N(C)C(=O)C(F)(F)F)cc3)nc2c1 226281148 KLLQKZVTQQSDIP-UHFFFAOYSA-N 348.324 4.582 0 40 EJAB CCC(=O)N(Cc1ccco1)Cc1cc2ccc(C)cc2nc1Cl 1367628 NMIFYZLKSWRCHA-UHFFFAOYSA-N 342.826 4.728 0 40 EJAB Cc1ccccc1/C=C/C(=O)NCCc1c[nH]c2ccc(Cl)cc12 2350921 FWANUXLLYKAPLU-RMKNXTFCSA-N 338.838 4.502 0 40 EJAB O=C(CCc1cccc(F)c1)c1ccc(Br)cc1F 2517350 POZDFDXTUPWKKG-UHFFFAOYSA-N 325.152 4.543 0 40 EJAB COc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](C(C)(C)C)CC3)cc1 3207615 MGUNDHXIGVVXHP-ZDUSSCGKSA-N 344.480 4.555 0 40 EJAB CCOc1ccccc1OCC(=O)OC1CCC(C(C)(C)C)CC1 3287562 VGVUIOHRWFWQEJ-UHFFFAOYSA-N 334.456 4.612 0 40 EJAB O=C(COC(=O)c1sc2ccccc2c1Cl)c1ccccc1 3343816 WJDKYGQLZPKPLY-UHFFFAOYSA-N 330.792 4.594 0 40 EJAB O=C(CCCc1c[nH]c2ccccc12)Nc1ccc(Cl)cc1F 3409343 RACVAAIZATXJBX-UHFFFAOYSA-N 330.790 4.922 0 40 EJAB COc1ccc(NCC(=O)Nc2cccc3ccccc23)cc1Cl 3412266 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Cc1c(C=O)cc(/C=C/C2=[N+](C)c3ccccc3C2(C)C)c(O)c1C 17146169 PDIQUVDUDKEUMK-UHFFFAOYSA-O 334.439 4.541 0 40 EJAB CC[C@H](Oc1cccc(C)c1)C(=O)N[C@@H](C)c1ccc(C)cc1C 20452757 SYWZCQRUOLSTNQ-PXNSSMCTSA-N 325.452 4.647 0 40 EJAB COc1ccccc1[C@@H](C)N(C)C(=O)c1ccc(C)c(-n2cccc2)c1 25112013 VHUUNLXRCXYEGA-QGZVFWFLSA-N 348.446 4.628 0 40 EJAB Cc1ccc(C)c(N(CC(=O)c2cccs2)C2=NCCCS2)c1 27027255 LWGZVVLWWQSLFF-UHFFFAOYSA-N 344.505 4.547 0 40 EJAB Cc1ccc(CN(C)C(=O)CSCc2ccc(Cl)cc2)cc1 30752697 CTHFXXIVIKRLMI-UHFFFAOYSA-N 333.884 4.540 0 40 EJAB O=C(c1ccc(Sc2ccc3ccccc3c2)nc1)N1CCCC1 32829037 FCAWAOIBNKFYIO-UHFFFAOYSA-N 334.444 4.622 0 40 EJAB Fc1ccc(COc2ccc(C(=S)N3CCCC3)cc2Cl)cc1 33871630 FCMAWXJQLLXGIN-UHFFFAOYSA-N 349.858 4.829 0 40 EJAB C[C@H](NC(=O)c1[nH]c2ccccc2c1Cl)c1ccc(F)c(F)c1 40144975 HJUNEJVSIIOQSV-VIFPVBQESA-N 334.753 4.591 0 40 EJAB CC(=O)O[C@@H]1CC[C@@H]2[C@H]3CCC4=C/C(=N/O)CC[C@]4(C)[C@@H]3CC[C@]12C 44356435 HMPWCNANWMGWIQ-XSXTWCCASA-N 345.483 4.711 0 40 EJAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N[C@H](C)c2ccccc2)c1 69634240 MXFJSTGAFRECGV-SJORKVTESA-N 325.452 4.763 0 40 EJAB O=C(O)c1ccc2c(c1)[C@@H]1[C@H]([C@H]3CC[C@@H]1C3)[C@@H](c1ccccc1F)N2 169702400 YEKIJPBPCQBBIK-AFVSYHSFSA-N 337.394 4.820 0 40 EJAB Cc1cc(Br)c2[nH]c(-c3ccc(N)cc3Cl)nc2c1 216917546 RFXWQJOOGPOWOW-UHFFFAOYSA-N 336.620 4.536 0 40 EJAB CC[C@H](NC(=O)[C@@H](C)Oc1cccc2c1CCCC2)c1ccccc1 223744255 CFPWBIMMFDQZHX-UZLBHIALSA-N 337.463 4.600 0 40 EJAB S=C(NCC1(c2cccc(Cl)c2)CCCC1)Nc1ccccn1 223985138 MXQSQULRVIQTHX-UHFFFAOYSA-N 345.899 4.533 0 40 EJAB CCc1ccc([C@@H]2[C@H](c3ccccn3)N=C3SC[C@H](CC)N32)cc1 260766425 JYHZLVZQXPJPDJ-YTQUADARSA-N 337.492 4.623 0 40 EJAB CC1=CC(C)(C)N(C(=O)c2ccccc2C(=O)O)c2cc(C)ccc21 408735701 VKUZRFQCLWVQJW-UHFFFAOYSA-N 335.403 4.536 0 40 EJAB CCOc1ccc(NC(=O)Nc2ccc3sc(C)nc3c2)cc1 408975390 AYPCFVQFSWCSNJ-UHFFFAOYSA-N 327.409 4.647 0 40 EJAB CC1(C)C[C@@]2(CCCN2CCC(F)(F)F)CN1c1cccc(F)c1 2037988757 HHGWLWSXVXUNRW-KRWDZBQOSA-N 344.396 4.601 0 40 EJAB O=C(Nc1ccc(F)cc1)c1csc(Cc2ccc(Cl)cc2)n1 1384045 FKVPRLPUBRAOEK-UHFFFAOYSA-N 346.814 4.779 0 40 EJAB CCOc1ccc(C(C)(C)c2cc3c(cc2OCC)OCO3)cc1 1588751 APAYECZYSRWUGT-UHFFFAOYSA-N 328.408 4.539 0 40 EJAB O=C(OCc1csc(-c2ccccc2)n1)c1cc2ccccc2o1 4332156 TUHFIKHSDUAILR-UHFFFAOYSA-N 335.384 4.913 0 40 EJAB CC(C)(C)c1cc(C2=CSC3=NCCN23)cc(C(C)(C)C)c1O 4673491 KDKOAJMNSAZFPX-UHFFFAOYSA-N 330.497 4.704 0 40 EJAB CSc1ccc(C(=O)Nc2nc(-c3cccs3)cs2)cc1 5222732 VWSKEZOXEXWDHX-UHFFFAOYSA-N 332.475 4.846 0 40 EJAB CC(C)NC(=O)[C@@H]1CC1(c1ccc(Cl)cc1)c1ccc(Cl)cc1 5486841 BRMBARMQXWOPJX-KRWDZBQOSA-N 348.273 4.824 0 40 EJAB Cc1nn2c(C)c(Sc3ccccc3)nnc2c1-c1ccccc1 6527072 HUMLZOIXAVYABT-UHFFFAOYSA-N 332.432 4.559 0 40 EJAB CCCCOc1ccc(C(=O)Nc2cc(C)ccc2C)cc1OC 8180671 QEQXSPORSBUORL-UHFFFAOYSA-N 327.424 4.743 0 40 EJAB COc1ccc(N[C@H](C)c2nc(-c3ccccc3)no2)cc1Cl 8920090 NXFMSETUUOWLEE-LLVKDONJSA-N 329.787 4.572 0 40 EJAB C[C@H](Sc1ncnc2sccc12)c1nnc(-c2cccs2)o1 9606485 QLGNZGKSRVCOHV-QMMMGPOBSA-N 346.462 4.656 0 40 EJAB Cc1cccc(CNC(=O)/C(=C/c2ccccc2)c2ccccc2)c1 10447566 VGNTXABYADMBHM-CJLVFECKSA-N 327.427 4.852 0 40 EJAB Cc1ccc2cccc(OC(=O)c3ccccc3Br)c2n1 12542435 XMEXRWRAWPLEKA-UHFFFAOYSA-N 342.192 4.525 0 40 EJAB CCOc1c(Cl)cc(Cl)cc1CNCc1ccccc1OC 13720614 NXFGFACJRRWIJB-UHFFFAOYSA-N 340.250 4.691 0 40 EJAB Oc1c(C2=NCCCCC2)c(Nc2ccccc2)nn1-c1ccccc1 16740150 PWZUHGIBRSGKMM-UHFFFAOYSA-N 346.434 4.685 0 40 EJAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1cc(Cl)ccc1OC 20454729 RNNCFDWQEDEXMD-MRXNPFEDSA-N 347.842 4.762 0 40 EJAB Cc1cccc(O[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)c1C 20491975 GJDSQDOQLLULEP-CYBMUJFWSA-N 337.341 4.728 0 40 EJAB CCC[C@H](O)c1nc2ccccc2n1CCCOc1cccc(C)c1 21787622 SHXHREXKDLBYCJ-FQEVSTJZSA-N 338.451 4.647 0 40 EJAB COc1ccc([C@H](C)NC(=O)N[C@H](c2ccccc2)C(C)C)cc1F 22426328 JARSLHMLXHPUEC-LIRRHRJNSA-N 344.430 4.592 0 40 EJAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1C(F)(F)F 22528646 GXASBEDSTRMVCR-OAHLLOKOSA-N 341.304 4.641 0 40 EJAB C[C@H](NC(=O)CCCc1ccccc1)c1ccc(-n2cccc2)cc1 28304033 JRXLITGHZQOIOM-SFHVURJKSA-N 332.447 4.677 0 40 EJAB COCc1cccc(C(=O)N[C@H](c2cccs2)C2CCCC2)c1 32396937 SMHYLNRRSUNGSX-SFHVURJKSA-N 329.465 4.556 0 40 EJAB Cc1nn(-c2ccc(NC(=O)c3cccc(F)c3)cc2)c(C)c1Cl 32611502 BELUOYHQDXWHLU-UHFFFAOYSA-N 343.789 4.534 0 40 EJAB O=C(Nc1cccc(-n2cc[nH]c2=S)c1)c1cccc2ccccc12 40087144 GNFYQNQVIMIPSP-UHFFFAOYSA-N 345.427 4.940 0 40 EJAB CC(C)Oc1cccc([C@@H](C)NC(=O)c2ccc(F)cc2Cl)c1 40108209 PTPUINTXSJSLSB-GFCCVEGCSA-N 335.806 4.757 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1C 59351135 LSUJQQIUTYOPJD-CABCVRRESA-N 331.843 4.602 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)cc1C 59351278 VIDLCKAEGHPXRM-CVEARBPZSA-N 345.870 4.910 0 40 EJAB Cc1ccc(C)c([C@@H](C)NC(=O)COc2cc(C)c(Cl)c(C)c2)c1 59351456 KAPUTZZLWFIMDV-MRXNPFEDSA-N 345.870 4.830 0 40 EJAB CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1C 72215254 AYUZVIXLECWNNY-RDJZCZTQSA-N 347.503 4.778 0 40 EJAB CCc1ccc(NC(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)cc1 72238578 SCENYDFWGLDFNN-UHFFFAOYSA-N 341.794 4.570 0 40 EJAB CC[C@@H](c1ccncc1)N(CC)C(=O)Nc1cccc(OC(F)F)c1 75144139 XERMDTLNKYBPOP-INIZCTEOSA-N 349.381 4.688 0 40 EJAB C[C@H](Nc1nccc(C(F)(F)F)n1)c1ccccc1C(F)(F)F 84660547 HUTWZAUEDLMZQZ-QMMMGPOBSA-N 335.251 4.687 0 40 EJAB O[C@H](c1cc(Cl)cc(Cl)c1)c1ccccc1Br 95730073 YPGXZPPLMZSTQP-CYBMUJFWSA-N 332.024 4.838 0 40 EJAB O=C(O)CS/C(=C/c1ccsc1)c1nc2ccccc2s1 96833605 DRNYKKDRROGIFG-NTUHNPAUSA-N 333.459 4.674 0 40 EJAB CC[C@H](C)c1ccc(NC(=O)COC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)cc1 102151291 PMFSHDFIRODOCD-UOVPBQLFSA-N 343.467 4.508 0 40 EJAB COc1ccccc1Oc1ccc(NC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)cc1 102201660 ROYNSBKIIZUTTG-RLFYNMQTSA-N 335.403 4.638 0 40 EJAB C[C@H](NC(=O)c1ccc(OC2CCCC2)cc1)[C@H]1C[C@H]2CC[C@H]1C2 102600687 GDIISEFXYHACFU-MZRZTIOWSA-N 327.468 4.563 0 40 EJAB Cc1ccc(N2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)cc1 219854483 FASLZMQLBOPUCY-UHFFFAOYSA-N 346.833 4.643 0 40 EJAB COc1ccc(CCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1C 225196904 IYJCJWLODHFEEM-UHFFFAOYSA-N 338.234 4.882 0 40 EJAB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OC)c2ccccc12 225803222 SXYIIJPONUQLDD-HXUWFJFHSA-N 329.440 4.772 0 40 EJAB Cc1cccc(C(=O)Nc2ccccc2NC(=O)c2cccc(C)c2)c1 38634 SMXSKNRLUCCMDS-UHFFFAOYSA-N 344.414 4.808 0 40 EJAB C[C@@H]1CCc2nc(NC(=O)c3cccc(C(F)(F)F)c3)sc2C1 180481 QVOVDPZVCIKAGT-SECBINFHSA-N 340.370 4.539 0 40 EJAB CCC(=O)N(CC[C@H](c1ccco1)C(C)C)Cc1ccc(OC)cc1 2092101 DEVJIOLNJVXLNQ-IBGZPJMESA-N 343.467 4.857 0 40 EJAB biogenic Cc1nc2ccc(NC(=O)c3c(-c4ccccc4)noc3C)cc2s1 2652540 FJXOZUDFMOOGEE-UHFFFAOYSA-N 349.415 4.820 0 40 EJAB CCOC(=O)c1sc(NC(=S)Nc2cccc(C)c2C)cc1C 3286864 BMYFPOCFDMOQMU-UHFFFAOYSA-N 348.493 4.659 0 40 EJAB CC(=O)C1=C(C)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 4082191 WYOKDIKHIXWWOC-YBHNGBFFSA-N 328.496 4.826 0 40 EJAB biogenic CCSc1ccccc1C(=O)Nc1nc(-c2ccccn2)cs1 4304956 ALSGWCSHCXNNFG-UHFFFAOYSA-N 341.461 4.569 0 40 EJAB CC(C)C1=CC2=CC[C@@H]3[C@@](C)(CN)CCC[C@]3(C)[C@@H]2C[C@@H]1CCN 5022261 NMPPZQLCNJPHMH-IQQJEHGZSA-N 330.560 4.655 0 40 EJAB O=C(CCc1ccsc1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 6657867 YFCJSGYHCJFCAE-UHFFFAOYSA-N 347.443 4.863 0 40 EJAB c1csc(-c2cc(CSc3ncnc4sccc34)no2)c1 7729538 BGMTXPWTKAIVHM-UHFFFAOYSA-N 331.447 4.700 0 40 EJAB Cc1cc(Nc2cccc(O)c2)c2cc(Br)ccc2n1 8656947 HKGKQKOXZLPQBP-UHFFFAOYSA-N 329.197 4.755 0 40 EJAB O=C(Cn1c(-c2ccc(F)cc2)nc2ccccc21)c1ccccc1 8809994 RLCUBGDPIUFIOA-UHFFFAOYSA-N 330.362 4.725 0 40 EJAB C[C@@H](Nc1ccccc1)c1nc2scc(-c3ccccc3)c2c(=O)[nH]1 9468864 VZXMYHVQMBNJPV-CYBMUJFWSA-N 347.443 4.825 0 40 EJAB O=C(/C=C/c1ccco1)Nc1ccc2oc(Cc3ccccc3)nc2c1 10120087 LZOKXDSMUIBMAC-PKNBQFBNSA-N 344.370 4.664 0 40 EJAB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(CN2CCCC2)cc1 10364366 ALWMUEHBZUFFFV-UHFFFAOYSA-N 349.261 4.842 0 40 EJAB CCCCc1ccc(C(=O)NCc2coc(-c3cccs3)n2)cc1 10881735 ZHOMXTCJRMNSDO-UHFFFAOYSA-N 340.448 4.676 0 40 EJAB C/C=C/C=C/C(=O)Nc1ccc(OC)c(Oc2ccc(OC)cc2)c1 11292554 YBJRATXMQDIUFM-YTXTXJHMSA-N 339.391 4.567 0 40 EJAB Cc1ccccc1[C@@H](C)NC(=O)c1cc(C2CC2)nn1-c1ccccc1 12991637 PWDGJNCFBKUQQD-MRXNPFEDSA-N 345.446 4.549 0 40 EJAB C[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)OCO2 14483496 QHHXKYSOFQHXKI-OAHLLOKOSA-N 345.398 4.573 0 40 EJAB C/C=C/c1ccc(OCc2nc3cc(Cl)ccc3[nH]2)c(OC)c1 16903958 ZAJMGEYZGMRZCN-ONEGZZNKSA-N 328.799 4.837 0 40 EJAB biogenic Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2ccc(F)c(Cl)c2)c1 20495041 ZBHVGFUYVNFURN-CYBMUJFWSA-N 335.806 4.810 0 40 EJAB Cc1ccc(S[C@H](C)C(=O)N[C@H]2CCCc3ccccc32)cc1 21838642 CFWAPUZUMAAZAY-BEFAXECRSA-N 325.477 4.669 0 40 EJAB O=C(Nc1ccc(OCc2cccc(F)c2)c(Cl)c1)C1CCC1 25302010 GMRAURMEFLQCRZ-UHFFFAOYSA-N 333.790 4.797 0 40 EJAB Cc1cc(OCc2ccc(C(=O)N3CCC[C@@H](C)C3)o2)ccc1Cl 27937636 QPLCILHPNAZWMG-CYBMUJFWSA-N 347.842 4.693 0 40 EJAB O=C(Nc1cc(Cl)cc(Cl)c1)N1CCC[C@@H](C(F)(F)F)C1 40096713 AAEIURHGKRUGNE-MRVPVSSYSA-N 341.160 4.800 0 40 EJAB COc1ccc(-c2cnc(SC)n2-c2ccc(Cl)cc2)cc1 44087501 FAGGPTYFRRKLIM-UHFFFAOYSA-N 330.840 4.923 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)COc2ccc(Cl)c(C)c2)cc1C 59351192 RTQWNRUFJFYLOV-OAHLLOKOSA-N 331.843 4.521 0 40 EJAB Fc1cccc(-c2cccc([C@@H]3CCCN(Cc4ccncc4)C3)n2)c1 72348802 DAKRJXSWRPNPIO-LJQANCHMSA-N 347.437 4.662 0 40 EJAB CC(C)(C)SCC(=O)Nc1c(O)c(Cl)cc(Cl)c1Cl 95448226 WIKPDMCUJXUJSP-UHFFFAOYSA-N 342.675 4.823 0 40 EJAB Cc1ccc(C(=O)Nc2cc(N3CCCC[C@H]3C)c(C)cc2N)cc1 216867402 KALJKHLCZOIRBH-MRXNPFEDSA-N 337.467 4.517 0 40 EJAB Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccc3c4c(cccc24)CC3)c1 224296341 JEZINVUOSXJADB-INIZCTEOSA-N 345.442 4.961 0 40 EJAB Cc1ccc(C)c(NC(=S)NCCCSCc2ccccc2)c1 225595752 GUCQPOMHDSRWML-UHFFFAOYSA-N 344.549 4.913 0 40 EJAB CC[C@@](C)(OC)C(=O)Nc1cc(C)c(OCc2ccccc2)c(C)c1 225604578 UMYOUAUHNNRWQG-OAQYLSRUSA-N 341.451 4.636 0 40 EJAB CO[C@H](CNC(=O)Nc1ccccc1Cl)c1cc2ccccc2o1 253472774 PIEUAYLPWSSHMM-QGZVFWFLSA-N 344.798 4.595 0 40 EJAB C[C@]1(CNC(=O)c2cc(-c3ccccc3)ccc2Cl)CC1(F)F 618607375 XMQHTQDNYVJDSF-QGZVFWFLSA-N 335.781 4.782 0 40 EJAB Nc1cc(N)c(/C=C/c2ccccc2)c(N)c1C=Cc1ccccc1 2049238499 NYTACRUTGWIIQX-AOGCGKDYSA-N 327.431 4.774 0 40 EJAB COc1cccc(CC(=O)Nc2cccc(Oc3ccccc3)c2)c1 2632932 RTRWSNIDZNFNFI-UHFFFAOYSA-N 333.387 4.669 0 40 EJAB O=C1S/C(=C\c2ccccc2)C(=O)N1Cc1ccc(Cl)cc1 2810548 JSZYOUQAZQXEFR-GDNBJRDFSA-N 329.808 4.577 0 40 EJAB CCc1nc(SCc2csc(C)n2)c2c3c(sc2n1)CCC3 2890952 SXZQXORGNCTPJN-UHFFFAOYSA-N 347.534 4.800 0 40 EJAB CC(C)Oc1ccccc1OCCOc1ccccc1OC(C)C 3363312 YDJAHTTZOHBQGM-UHFFFAOYSA-N 330.424 4.719 0 40 EJAB CC(=O)Nc1ccc(NC(=O)c2ccccc2Nc2ccccc2)cc1 3427021 KFQMTLZUIHLXPE-UHFFFAOYSA-N 345.402 4.641 0 40 EJAB CCCCCC[C@@H](C)NC(=O)C(C)(C)Oc1ccc(Cl)cc1 4472874 QYZBQHHHFJIRQH-CQSZACIVSA-N 325.880 4.973 0 40 EJAB Cc1ccc(Cl)c2sc(NC(=O)Cc3ccc(F)cc3)nc12 5268475 AANYDHLSMXBQJN-UHFFFAOYSA-N 334.803 4.578 0 40 EJAB Cc1c(C(=O)N(C)C2CCCCC2)[nH]c2ccc(Br)cc12 5484190 YNRYNPOXKYQIQW-UHFFFAOYSA-N 349.272 4.644 0 40 EJAB CN(Cc1ccccc1)C(=O)CC(c1ccccc1)c1ccccc1 5509868 XAJGPWHAWVXOCF-UHFFFAOYSA-N 329.443 4.867 0 40 EJAB O=C(CC12CC3CC(CC(C3)C1)C2)NCCc1ccc(Cl)cc1 5787911 RTVXNTMJJWCQLQ-UHFFFAOYSA-N 331.887 4.605 0 40 EJAB O=S(=O)(Nc1ccc(-c2ccccc2)cc1)c1ccc(Cl)s1 6317231 FVVPDADEIAUFBP-UHFFFAOYSA-N 349.864 4.869 0 40 EJAB O=C(Cc1ccc2c(c1)CCC2)Nc1ccccc1Cc1ccccc1 7398647 DPJVBHCKZULDRT-UHFFFAOYSA-N 341.454 4.947 0 40 EJAB CCOc1ccc(-c2nc(-c3ccc(OC)cc3)cs2)cc1OC 7844531 VFQQEPJBJNWPFH-UHFFFAOYSA-N 341.432 4.893 0 40 EJAB COc1ccc(-c2csc(-c3ccccc3OC)n2)cc1OC 7846197 FXNUURNEOZMALH-UHFFFAOYSA-N 327.405 4.503 0 40 EJAB CC(C)c1ccccc1NCC(=O)Nc1ccccc1Br 11621561 XXPKRLGQMUQCMN-UHFFFAOYSA-N 347.256 4.623 0 40 EJAB CC(C)c1cccc(NC(=O)c2c[nH]c(=S)n2-c2ccccc2)c1 11869361 ICBAPLSZCXEAGL-UHFFFAOYSA-N 337.448 4.911 0 40 EJAB CC[C@@H]1CN(Cc2ccccc2)Cc2cc3cccc(C)c3nc2O1 13563867 PVKKPUHYIMCOEU-HXUWFJFHSA-N 332.447 4.716 0 40 EJAB COc1cc(CO)ccc1OCc1c(C)cc(C(C)(C)C)cc1C 14086641 TXMPVHXQGLMRMI-UHFFFAOYSA-N 328.452 4.681 0 40 EJAB Clc1ccccc1CN1CCC[C@H]1c1nnc(-c2cccs2)o1 19349055 PJBXUIYXWOWBSN-AWEZNQCLSA-N 345.855 4.789 0 40 EJAB Fc1ccccc1NCc1ccc(OCCOc2ccccc2)cc1 19738026 IQNSTAHDZQWDCQ-UHFFFAOYSA-N 337.394 4.896 0 40 EJAB c1ccc2c(Cn3c(CN4CCCC4)nc4ccccc43)cccc2c1 27757736 UTMJMRRJUYILTJ-UHFFFAOYSA-N 341.458 4.834 0 40 EJAB CCn1c(SCc2ccccc2)nnc1[C@H](C)Oc1ccccc1 32604438 MYPYPJRJICIALW-HNNXBMFYSA-N 339.464 4.730 0 40 EJAB Cc1cc(C)cc(O[C@H](C)C(=O)N[C@@H](C)c2cc(C)ccc2C)c1 59351465 FBBGPTUICNHQJZ-ZWKOTPCHSA-N 325.452 4.565 0 40 EJAB CC(C)Cc1ccc([C@H](NCc2nnc(C(C)C)o2)C(C)C)cc1 60371452 GFDYKIUJWHQDIL-LJQANCHMSA-N 329.488 4.878 0 40 EJAB C[C@H]1CCCN(C(=O)c2csc(-c3ccc(Cl)cc3)n2)CC1 62923542 GUKBPRHGEVBSJY-LBPRGKRZSA-N 334.872 4.726 0 40 EJAB C[C@@H]1CCCN(C(=O)c2ccc(-c3nc4ccccc4s3)o2)CC1 65476027 ZGFQDSSLNXVENZ-CYBMUJFWSA-N 340.448 4.819 0 40 EJAB CCN1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C(C)C)nc1 72214874 AIEMKWAPIKSUDO-QGZVFWFLSA-N 347.503 4.778 0 40 EJAB Cc1sc2ncnc(N3CCC[C@H]3c3nc4ccccc4[nH]3)c2c1C 79097790 IIPOIMWKFNPZGQ-HNNXBMFYSA-N 349.463 4.526 0 40 EJAB C[C@@H]1CC2=C(C[C@H]1[C@H]1OC[C@@H](CN3CCCCC3)O1)C(C)(C)CCC2 85867330 GWNYATQURCVOGA-VELGLUOQSA-N 347.543 4.767 0 40 EJAB Cc1nsc2ncc(C(=O)N(c3ccccc3)C3CCCC3)cc12 95953759 RGBQEMXISOYFTA-UHFFFAOYSA-N 337.448 4.589 0 40 EJAB COC(=O)N(C)c1ccc(N[C@H](C)c2ccc(F)c(Cl)c2)cc1 95958787 NNKKPCZBVGFGOG-LLVKDONJSA-N 336.794 4.855 0 40 EJAB O=C(CCC1CCCCC1)Nc1nc(-c2ccc(F)cc2)ns1 96346114 NCJOCGPQNALIEY-UHFFFAOYSA-N 333.432 4.643 0 40 EJAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N[C@@H]1CCCc2ccccc21 113970351 MGQLYOIRUIFVRQ-NHCUHLMSSA-N 337.463 4.655 0 40 EJAB O=C(CCCc1ccccc1)N1CCS[C@H](c2cccs2)CC1 219489135 VUZVAUGQSHHTDV-SFHVURJKSA-N 345.533 4.778 0 40 EJAB Cc1ccc(CC(=O)NCCSCc2ccccc2Cl)c(C)c1 225762104 MRZZYIXCTOUABO-UHFFFAOYSA-N 347.911 4.549 0 40 EJAB Cc1ccc2oc(-c3cccc(N4Cc5ccccc5C4=O)c3)nc2c1 226287291 YMJDRMPGGLUEDC-UHFFFAOYSA-N 340.382 4.964 0 40 EJAB O=C(CCCn1cc(-c2ccc(Cl)cc2)cn1)Nc1ccccc1 227164127 VEIWDUZUCBGVDK-UHFFFAOYSA-N 339.826 4.622 0 40 EJAB CCOc1ccccc1-c1nnc(SCc2ccc(F)cc2)o1 301819300 QKVDXKDSKPCZBG-UHFFFAOYSA-N 330.384 4.567 0 40 EJAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccc(F)c1 42975 PJUXFMOFBKGRMO-UHFFFAOYSA-N 330.746 4.695 0 40 EJAB Cc1sc2ncnc(Oc3ccccc3Br)c2c1C 87740 PAIYCFBMTZJLIQ-UHFFFAOYSA-N 335.226 4.863 0 40 EJAB CC1CCC(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)CC1 217719 HHNDUYPRGHWBRH-UHFFFAOYSA-N 345.446 4.605 0 40 EJAB O=C(Nc1ccccc1)c1cccc2c(Br)cccc12 284006 NYQABHWJAWFJMB-UHFFFAOYSA-N 326.193 4.855 0 40 EJAB biogenic O=C(Oc1ccc(-c2ccc(Br)cc2)cc1)c1ccco1 1621417 YYOZWNSQGRSHDD-UHFFFAOYSA-N 343.176 4.928 0 40 EJAB Cc1cccc(C)c1Nc1nc(Cl)nc2c1cnn2-c1ccccc1 1718487 NYPCSFZZAVVPNE-UHFFFAOYSA-N 349.825 4.829 0 40 EJAB CCCc1ccc(C(=O)[C@H](C)Sc2ccc(NC(C)=O)cc2)cc1 2642606 SAASXDLDJOQVMB-AWEZNQCLSA-N 341.476 4.961 0 40 EJAB CCCCn1c(CCCNC(=O)c2cccc(C)c2)nc2ccccc21 2721496 OVGPWTYZNFNJRQ-UHFFFAOYSA-N 349.478 4.507 0 40 EJAB O=C(Nc1cccc(C(F)(F)F)c1)N[C@H]1CCCc2ccccc21 3226642 UNDFNXCBEMTFLN-INIZCTEOSA-N 334.341 4.905 0 40 EJAB CC(C)c1ccc2nc(NC(=O)c3c(F)cccc3F)sc2c1 4325819 SJRUREPELBKSKX-UHFFFAOYSA-N 332.375 4.950 0 40 EJAB Cc1ccc(C)c(NC(=O)CSc2nc3ccc(Cl)cc3[nH]2)c1 4485029 RXZCWNUUPVLGBL-UHFFFAOYSA-N 345.855 4.564 0 40 EJAB Cn1c(-c2ccc(F)cc2)cnc1NCc1c(F)cccc1Cl 4678541 ZXFWRQYTLCEWDJ-UHFFFAOYSA-N 333.769 4.631 0 40 EJAB O=C(Cc1c[nH]c2ccccc12)OCc1ccc(Cl)cc1Cl 5400902 ICSOSWGEQCKSKW-UHFFFAOYSA-N 334.202 4.761 0 40 EJAB C[C@@H](NC(=O)/C=C/c1cccc(F)c1)C12CC3CC(CC(C3)C1)C2 5445883 BBEUCQBPQDRFQW-JOZRDYHTSA-N 327.443 4.560 0 40 EJAB Clc1ccc(C2=Nn3cc(-c4ccccc4)nc3SC2)cc1 5696277 QCTQZHWLOPQSFR-UHFFFAOYSA-N 325.824 4.562 0 40 EJAB CN(Cc1ccc(F)cc1)C(=O)c1cccc(Oc2ccccc2)c1 6874933 JOJYWWGNBYSMQV-UHFFFAOYSA-N 335.378 4.890 0 40 EJAB CC(=O)Nc1ccc(SCc2coc(-c3cccs3)n2)cc1 6919809 UPAVJDAFEZEYBH-UHFFFAOYSA-N 330.434 4.654 0 40 EJAB O=C(c1ccc(COc2ccccc2)cc1)N1CCCc2ccccc21 6941545 ALCIIKAKCZGVJM-UHFFFAOYSA-N 343.426 4.859 0 40 EJAB Cc1ccc(NC(=O)[C@H](c2ccccc2)N2C[C@@H](C)C[C@H](C)C2)cc1 7654083 FTLSGFLBFISHGF-WFXMLNOXSA-N 336.479 4.653 0 40 EJAB O=C(CCc1ccc(-c2ccccc2)o1)N1CC[C@H]2CCCC[C@@H]2C1 7980267 LZIRJKRXAAUVDB-IEBWSBKVSA-N 337.463 4.918 0 40 EJAB O=C(Nc1nc2ccccc2[nH]1)c1sc2ccccc2c1Cl 12529416 QSCUXMZCGFRXLP-UHFFFAOYSA-N 327.796 4.683 0 40 EJAB CCOc1cc2c(cc1NC(=O)C[C@@H](C)c1ccccc1)O[C@H](C)C2 13002454 OLZUBEUCGXMDNV-HUUCEWRRSA-N 339.435 4.541 0 40 EJAB CSCc1ccc(C(=O)Nc2nc3ccc(Cl)cc3s2)o1 13016407 ATEBFLCCOBNETE-UHFFFAOYSA-N 338.841 4.658 0 40 EJAB Fc1ccccc1NC(=S)NCc1ccc(Cl)cc1Cl 13815178 ZAAUJOMASLHWSA-UHFFFAOYSA-N 329.227 4.619 0 40 EJAB SC1=N[C@@H](c2ccccc2)C2=C(N1)C(=C1SCCS1)CCC2 13878974 FESZHHIGUGMBHK-AWEZNQCLSA-N 346.546 4.746 0 40 EJAB Cc1cc(O[C@H](C)C(=O)NCCC2=CCCCC2)cc(C)c1Cl 14397627 WMHSRIWSIVYYHB-OAHLLOKOSA-N 335.875 4.731 0 40 EJAB CC(C)(C)[C@H]1CCc2c(sc3c2[C@H](c2ccncc2)CC(=O)N3)C1 15106913 IGHQMEYQTKCAJX-ZFWWWQNUSA-N 340.492 4.768 0 40 EJAB COc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccccc2C)cc1 20451540 PTKWNUBLUKDINN-NRFANRHFSA-N 331.415 4.523 0 40 EJAB CC(=O)c1ccccc1NCc1nc(-c2ccc(C(C)C)cc2)no1 23004100 GJOJSMHHFDUSLK-UHFFFAOYSA-N 335.407 4.675 0 40 EJAB CC(C)c1noc([C@H](C)Sc2nccn2-c2cccc(Cl)c2)n1 27811066 RMGMALNSFDLNNU-NSHDSACASA-N 348.859 4.885 0 40 EJAB O=C(NCc1ccccc1)N[C@@H](c1ccc(F)cc1)C1CCCC1 32935970 XLCFJLQGIAIPHS-LJQANCHMSA-N 326.415 4.556 0 40 EJAB COc1ccc2c(c1)CCC[C@@H]2NC(=S)Nc1ccccc1Cl 39974172 LVYYBPPCPDDFEJ-INIZCTEOSA-N 346.883 4.713 0 40 EJAB CC(C)c1ccc([C@H]2CC(O)=Nc3c2ncn3-c2cccnc2)cc1 40267380 WERUFYWFGUYROZ-QGZVFWFLSA-N 332.407 4.514 0 40 EJAB C[C@@H](c1cccs1)N(C)Cc1cn2cc(Cl)cc(Cl)c2n1 58174604 ZVKXFFIYSXIBNL-JTQLQIEISA-N 340.279 4.896 0 40 EJAB Clc1cc(-c2ccccc2)ccc1OCc1nnc(C2CC2)o1 63414725 KPGVQODIHWIJLJ-UHFFFAOYSA-N 326.783 4.846 0 40 EJAB O=C(Nc1ccccc1F)c1ccc(N2CCc3ccccc3C2)cc1 63888116 CLJZIVNMIKCPJW-UHFFFAOYSA-N 346.405 4.641 0 40 EJAB CCc1nc(C)c(C(=O)N2CCC[C@@H]2[C@H](CC)c2ccccc2)s1 65128725 QWDCWBFFAQMIDS-IAGOWNOFSA-N 342.508 4.812 0 40 EJAB C[C@@H](OC(=O)c1nc(-c2ccccc2)oc1C1CC1)c1ccccn1 73529075 APIMLHXXLJJFOO-CYBMUJFWSA-N 334.375 4.532 0 40 EJAB O=C(c1cc2ccccc2o1)N1CCCC[C@H](c2ccc(F)cc2)C1 211079484 BYVBMODJRQKDGB-KRWDZBQOSA-N 337.394 4.982 0 40 EJAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCc1cccc2ccccc12 222872250 QIPCKNWRRYAOQV-OAQYLSRUSA-N 333.431 4.622 0 40 EJAB CCOc1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1Cl 223082092 BNFWLHLFZWFQIR-KRWDZBQOSA-N 329.827 4.546 0 40 EJAB COc1ccccc1[C@@H](C)NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 224676028 CZMPPLQMRXCDFT-ASNKMWSDSA-N 337.463 4.883 0 40 EJAB CC(C)Oc1ccc(NC(=S)N[C@@H](C)c2ccc(F)cc2)cc1 225474001 VDWPFZPNBWCLLW-ZDUSSCGKSA-N 332.444 4.661 0 40 EJAB CC(C)(C)[C@H]1CCc2nc(NC(=O)Cc3ccsc3)sc2C1 1520519273 HBUMHOMOMYRDJS-LBPRGKRZSA-N 334.510 4.537 0 40 EJAB Cc1ccc(C)c(/C=C2/N=C(c3cc(F)c(F)cc3Cl)OC2=O)c1 478008 RSNNMOBOVZZNLF-OMCISZLKSA-N 347.748 4.580 0 40 EJAB FC(F)(F)c1ccnn1-c1nc(-c2ccccc2Cl)cs1 3406287 XQHDACAEQHNGDC-UHFFFAOYSA-N 329.734 4.668 0 40 EJAB CCc1cccc(NC(=O)c2cc(Br)ccc2Cl)c1 3486802 KEPYDDLHESRTAU-UHFFFAOYSA-N 338.632 4.917 0 40 EJAB CCCOc1c(Cl)cc(C(=O)Nc2cccc(F)c2)cc1OC 4834997 WPNYNHBCCQJFNB-UHFFFAOYSA-N 337.778 4.529 0 40 EJAB COc1cccc(C2=NN3[C@H](C2)c2ccccc2OC32CCCC2)c1 5016986 LUTUIERBGPSTFI-LJQANCHMSA-N 334.419 4.509 0 40 EJAB CCOc1ccc(NC(=O)c2ccc(COc3ccccc3)o2)cc1 5032721 DXMCRUZNRRRVFE-UHFFFAOYSA-N 337.375 4.510 0 40 EJAB O=C(O)c1cnc2c(Cl)c(Cl)ccc2c1Nc1ccccc1O 5510886 CIHBNQUFAOKDFV-UHFFFAOYSA-N 349.173 4.689 0 40 EJAB O=C(Cc1cccc2ccccc12)Nc1ccc(OC(F)(F)F)cc1 5938090 YWNTVAVBJKKZFT-UHFFFAOYSA-N 345.320 4.920 0 40 EJAB CCCN(Cc1ccccc1)C(=O)Nc1nc2ccccc2s1 6138631 OGTHWHZHTXYXHB-UHFFFAOYSA-N 325.437 4.740 0 40 EJAB CCCC(=O)c1cn(CC(=O)Nc2ccc(C)c(C)c2)c2ccccc12 6245873 DMUYERCVKWSJQD-UHFFFAOYSA-N 348.446 4.880 0 40 EJAB C[C@H](NC(=O)c1ccccc1C(F)(F)F)c1ccccc1Cl 7780022 HYDYSPUXGLSIMN-JTQLQIEISA-N 327.733 4.850 0 40 EJAB C[C@@H](c1nnc(-c2cccs2)o1)N1CCC[C@@H]1c1cccs1 7918066 MBNJTGXWKFACMX-NWDGAFQWSA-N 331.466 4.758 0 40 EJAB COc1cccc(/C=C/C(=O)Nc2c(C)cc(C)cc2Cl)c1OC 8316573 MVEIGPZDIZOUPK-CMDGGOBGSA-N 345.826 4.626 0 40 EJAB COc1ccc([C@@H]2CCCCCN2C(=O)NCc2ccccc2)cc1 8944039 KQYQLWNCVHTEMH-FQEVSTJZSA-N 338.451 4.522 0 40 EJAB O=C(Nc1cccc2cccnc12)c1csc(-c2ccccc2)n1 10913648 LZKWUZVBIDNDRD-UHFFFAOYSA-N 331.400 4.611 0 40 EJAB Cc1nc2cc(N[C@H](C)C(=O)Nc3cc(Cl)ccc3C)ccc2o1 12730435 LBGXJWYKPKRWEK-LLVKDONJSA-N 343.814 4.537 0 40 EJAB COc1ccc(Cl)cc1-c1nc(C23CC4CC(CC(C4)C2)C3)no1 14200133 HLCBDGRTJKWLFP-UHFFFAOYSA-N 344.842 4.866 0 40 EJAB CCCn1c(SCc2ccccc2C)nnc1-c1ccoc1C 17067116 FGHJEFBGRYFCKV-UHFFFAOYSA-N 327.453 4.857 0 40 EJAB COc1ccc(CSCC(=O)Nc2ccc(C)c(Cl)c2)cc1 20237831 KGAFJWSMKPETNU-UHFFFAOYSA-N 335.856 4.529 0 40 EJAB O=C1c2cccc3cccc(c23)N1Cc1coc(-c2ccccc2)n1 23378168 OCZGYOYKOHXDOV-UHFFFAOYSA-N 326.355 4.655 0 40 EJAB CCc1ccc(CN(C(=O)c2ccccc2F)c2ccccn2)cc1 27662676 SNKRBUQTFPORJG-UHFFFAOYSA-N 334.394 4.630 0 40 EJAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NC12CC3CC(CC(C3)C1)C2 30753779 LNMCOJXOOOSOHK-RQJZOYDLSA-N 341.495 4.546 0 40 EJAB CC(C)[C@@H](NC(=O)c1ccc(Br)s1)c1ccccc1 32744934 ATDGLKCHWOHLTK-CQSZACIVSA-N 338.270 4.638 0 40 EJAB Cc1ccc(C(=O)N2CCCC[C@H]2c2nc3ccccc3s2)cc1 32772703 GVMUWEVDJPFGJY-KRWDZBQOSA-N 336.460 4.972 0 40 EJAB C[C@H]1Oc2ccc(NC3c4ccccc4-c4ccccc43)cc2NC1=O 32814868 UGMCASZPSIZLEF-CYBMUJFWSA-N 342.398 4.588 0 40 EJAB CCCC(=O)c1cn(CC(=O)Nc2ccc(C)cc2C)c2ccccc12 33721741 RMTQBYFTEGXYDO-UHFFFAOYSA-N 348.446 4.880 0 40 EJAB CCOc1ccc([C@@H](NC(=O)c2cccs2)c2ccccc2)cc1 40089221 COMRQUKLCPLYHK-IBGZPJMESA-N 337.444 4.666 0 40 EJAB CCN(Cc1ccccc1)C(=O)Nc1ccccc1-n1nc(C)cc1C 40104903 BESUHBWVLVQWMZ-UHFFFAOYSA-N 348.450 4.543 0 40 EJAB C[C@H](c1ccccn1)N(C(=O)Cc1ccc(Cl)c(Cl)c1)C1CC1 47177975 XOWJYZZVFQPBPI-GFCCVEGCSA-N 349.261 4.683 0 40 EJAB C[C@H](SC1=NCCS1)c1cccc(NC(=O)c2ccccc2)c1 58065334 PENNGRMJUXXHMQ-ZDUSSCGKSA-N 342.489 4.836 0 40 EJAB Oc1cc(C(F)(F)F)nc(Nc2ccc(Oc3ccccc3)cc2)n1 71405449 LXGIXEPHXBDYHX-UHFFFAOYSA-N 347.296 4.737 0 40 EJAB Fc1ccc2c(c1)[C@@H](N1CCC(c3nc4ccccc4o3)CC1)CC2 72313263 MPPBSVSCJCLITN-IBGZPJMESA-N 336.410 4.834 0 40 EJAB O=C(/C=C\c1ccco1)N1CCc2sccc2[C@@H]1c1cccs1 96920689 FWGWPVHJOBDKQC-OOFWQKGWSA-N 341.457 4.590 0 40 EJAB CSc1ccc(CNc2ccc(Cl)c(C[S@](C)=O)c2)cc1 97084926 UPHZBOYAFFWACZ-OAQYLSRUSA-N 339.913 4.553 0 40 EJAB Cc1c([C@@H]2Nc3ccccc3N=C3CC(C)(C)CC(O)=C32)cnn1C 100642190 MVVMUSDUXLNKBD-IBGZPJMESA-N 336.439 4.600 0 40 EJAB Cc1sc(NC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)nc1-c1ccccc1 103416653 WFJOOTIKKCMRAG-BPUTZDHNSA-N 326.465 4.883 0 40 EJAB CSc1ccccc1NC(=O)COc1cc(C)c(Cl)c(C)c1 218919923 SBLYOEPLUUFMOB-UHFFFAOYSA-N 335.856 4.696 0 40 EJAB COc1ccc(C(=O)Nc2ccccc2)cc1COc1ccc(C)cc1 224120367 KBLDSIRVVXUBGE-UHFFFAOYSA-N 347.414 4.835 0 40 EJAB Cc1cccc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)c1 225672100 WPPSVPRODZTWBU-QGZVFWFLSA-N 340.492 4.892 0 40 EJAB CCOc1ccc(NC(=O)[C@@]2(OCC)CCC[C@H](C)C2)cc1Cl 225719226 KPXFCEYLTIYCDL-SCLBCKFNSA-N 339.863 4.663 0 40 EJAB CCOc1ccc(NC(=O)[C@]2(OCC)CCC[C@H](C)C2)cc1Cl 225719253 KPXFCEYLTIYCDL-UGSOOPFHSA-N 339.863 4.663 0 40 EJAB CCCO[C@](C)(CC)C(=O)Nc1ccc(OCC)c2ccccc12 225839861 NADILUSZIWVMMJ-HXUWFJFHSA-N 329.440 4.772 0 40 EJAB CCOc1cc(/C=C/C(=O)Nc2ccc3ccccc3c2)ccc1OC 408613768 YAPFLFPYBKQFRD-UKTHLTGXSA-N 347.414 4.899 0 40 EJAB Cc1nc2sc(-c3ccccc3)cc2c2nnc(-c3ccccc3)n12 79640 PXQNORPWVRPOPT-UHFFFAOYSA-N 342.427 4.981 0 40 EJAB CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(C)cc1C 570458 FPOFRHYVJOGMAG-CQSZACIVSA-N 340.492 4.944 0 40 EJAB Cc1cnc(NC(=O)c2ccc(COc3ccccc3Cl)o2)s1 2767160 GLQQWVPNIOAGRU-UHFFFAOYSA-N 348.811 4.529 0 40 EJAB O=C(c1ccc(F)cc1)c1ccc(OC(=O)C2CCCCC2)cc1 3326820 OKUXEUNPQCTGBU-UHFFFAOYSA-N 326.367 4.542 0 40 EJAB Cc1cccc(N(Cc2cccc3ccccc23)C2=NC(=O)CS2)c1 3365749 VHCLMZPMIMWCAN-UHFFFAOYSA-N 346.455 4.784 0 40 EJAB COc1ccc(-c2cn3cc(-c4ccc(Cl)cc4)n(C)c3n2)cc1 4678576 UFCSSHRIWACRRX-UHFFFAOYSA-N 337.810 4.669 0 40 EJAB CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)c1nc2ccccc2[nH]1 5020177 BRILDIARISJTGK-QGZVFWFLSA-N 341.842 4.734 0 40 EJAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nc2ccccc2o1 5034215 MDIJMLMDQUJOQP-LBPRGKRZSA-N 336.416 4.981 0 40 EJAB O=C(Nc1ccc(CN2CCCC2)cc1)c1cc(Cl)ccc1Cl 5996873 NTFFVPUHKVJVPN-UHFFFAOYSA-N 349.261 4.842 0 40 EJAB CC(=O)c1cccc(NC(=O)c2ccccc2OCc2ccccc2)c1 6515248 INSVRZFVXVCOOU-UHFFFAOYSA-N 345.398 4.721 0 40 EJAB C[C@@H](Sc1ncc(-c2ccccc2)n1C)C(=O)c1ccc(F)cc1 7130382 SGWFNSMYGXRECN-CYBMUJFWSA-N 340.423 4.590 0 40 EJAB Cc1ccc([C@H](NCc2nnc(-c3ccco3)o2)c2ccccc2)cc1 7541744 LTAHGMYSCRXPJT-HXUWFJFHSA-N 345.402 4.517 0 40 EJAB Cc1ccc(-c2nc(C)sc2CC(=O)Nc2ccccc2C)cc1 8394984 FXPLCYKQCVYDBQ-UHFFFAOYSA-N 336.460 4.917 0 40 EJAB CN(Cc1cccc(F)c1)C(=O)c1cc(C2CC2)nc2ccccc12 8707746 KZUFEWDQCJPRQX-UHFFFAOYSA-N 334.394 4.524 0 40 EJAB COc1ccccc1[C@H](C)NC(=O)c1cc(C2CC2)nc2ccccc12 9514863 GEMBXOXDBLEPTD-AWEZNQCLSA-N 346.430 4.612 0 40 EJAB CCCn1c([C@@H]2CC(=O)N(c3c(C)cccc3C)C2)nc2ccccc21 11692464 JJWDJSGONSFKAA-QGZVFWFLSA-N 347.462 4.584 0 40 EJAB CCOc1cc(/C=C/C(=O)Nc2cccc(Cl)c2C)ccc1OC 15422275 BWLNRNKIOGLPTG-PKNBQFBNSA-N 345.826 4.708 0 40 EJAB CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 20048050 FNDFBHLFTMZANB-LBPRGKRZSA-N 337.341 4.674 0 40 EJAB Cc1ccnc(NC(=O)c2cccnc2Sc2cc(C)ccc2C)c1 22506837 IDYYOISAYGZIFO-UHFFFAOYSA-N 349.459 4.805 0 40 EJAB O=C(Nc1cccc(Cl)c1)c1cc(-c2ccccc2Cl)[nH]n1 24961144 AFBKLMLNNUJTQO-UHFFFAOYSA-N 332.190 4.636 0 40 EJAB Cc1ccc(C)c(C(=O)CCC(=O)NCC2(c3ccccc3)CCC2)c1 32882371 AQZXHRUIQBSUQK-UHFFFAOYSA-N 349.474 4.504 0 40 EJAB O=C(O)c1cccc(Nc2ccnc3ccc(C(F)(F)F)cc23)c1 40175527 CIZSBDGUSXWXTE-UHFFFAOYSA-N 332.281 4.695 0 40 EJAB CSc1ccccc1NC(=O)[C@@H](C)Oc1ccccc1C(C)C 44844651 CERCCJBMELFLMP-CQSZACIVSA-N 329.465 4.938 0 40 EJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@@H]1CCCc2ccccc21 44903852 ZCWPEJVEPUOPAI-RTBURBONSA-N 343.854 4.691 0 40 EJAB C[C@@H](NC(=O)c1c[nH]cc1-c1ccc(Cl)s1)c1ccccc1 54675205 QDQWTOKBNDIMOD-LLVKDONJSA-N 330.840 4.888 0 40 EJAB FC(F)(F)c1cnc(NCc2cc3ccccc3[nH]2)c(Cl)c1 58544137 LMNXUHGYWRTWAZ-UHFFFAOYSA-N 325.721 4.847 0 40 EJAB CC1(C)[C@H](Cc2cc(-c3ccc(F)cc3)on2)C[C@@H]1NC1CCC1 67889829 LFNVWURWEOOMNB-KUHUBIRLSA-N 328.431 4.580 0 40 EJAB biogenic,in-vitro CCN1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1 72215399 NKWNZQUYHVLBLQ-KRWDZBQOSA-N 345.487 4.532 0 40 EJAB Clc1ccc(-c2cc3ncccc3c(NCc3cccnc3)n2)cc1 72373211 SQJFXUBSKZGGTQ-UHFFFAOYSA-N 346.821 4.957 0 40 EJAB Cc1cc(OCCCC(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)ccc1Cl 104745362 KDRWISDSIVSYKX-NBOOPKSLSA-N 349.902 4.748 0 40 EJAB CC(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 118926350 CGMZETDGTMDEAD-KHORPRLQSA-N 332.528 4.841 0 40 EJAB CCOC(=O)c1ccc(-c2ccc(Br)c(Cl)c2)o1 216769650 SOMCVMQSQVIHGY-UHFFFAOYSA-N 329.577 4.539 0 40 EJAB Cc1cc(C)c([C@H](C)NC(=O)[C@@H](C)Oc2ccccc2Cl)cc1C 223454295 XCRLEEZVASBHOG-JKSUJKDBSA-N 345.870 4.910 0 40 EJAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCc2ccc(Cl)cc2)c1 224698791 WRBVSFSARCFADS-HNNXBMFYSA-N 345.870 4.856 0 40 EJAB CC[C@H](NC(=O)Cc1cccc(Br)c1)c1ccccc1C 225622927 LQRUEOCSCMDYHY-KRWDZBQOSA-N 346.268 4.568 0 40 EJAB O=C(/C=C/c1ccccc1Cl)NCc1cccc(C(F)(F)F)c1 225698576 XYFBRKKCEZLDHR-CMDGGOBGSA-N 339.744 4.688 0 40 EJAB Cc1ccc(C(C)C)c(OCC(=O)Nc2cc(Cl)c(C)cc2N)c1 226358808 ZTVWSOIWDPHYRO-UHFFFAOYSA-N 346.858 4.680 0 40 EJAB CCCC[C@H](CC)COC(=O)CCSc1ccnc(N)c1Cl 1565504932 TZDIGQNYLANFEA-LBPRGKRZSA-N 344.908 4.559 0 40 EJAB O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)c1ccccc1 127587 WRRPGGNKHXCYEQ-UHFFFAOYSA-N 328.824 4.640 0 40 EJAB O=C(OCc1ccccc1)c1ccc(OC(=O)C2CCCCC2)cc1 149088 SIIAXONDLZWZMP-UHFFFAOYSA-N 338.403 4.529 0 40 EJAB O=C(/C=C/c1ccccc1)Nc1ccc2oc(-c3ccncc3)nc2c1 277222 PBTOPWOJUMGLGZ-RMKNXTFCSA-N 341.370 4.542 0 40 EJAB CCc1ccccc1NC(=O)c1cc(Br)ccc1Cl 513628 KNTBFIYCJZNSIA-UHFFFAOYSA-N 338.632 4.917 0 40 EJAB Cc1nc2ccc(F)cc2cc1C(=O)Nc1cccc(Cl)c1C 539878 QOGCUZDPQTWQRG-UHFFFAOYSA-N 328.774 4.896 0 40 EJAB aggregator CCOC(=O)c1c(NC(=S)Nc2ccc(C)cc2)sc(C)c1C 2769139 VDXOWHTVJWWBQQ-UHFFFAOYSA-N 348.493 4.659 0 40 EJAB Cc1ccc([C@H]2C[C@@H](c3cccc4ccccc34)n3ncnc3N2)cc1 2797220 ASAXKNVZXXCIFJ-RTWAWAEBSA-N 340.430 4.886 0 40 EJAB Cc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)n3ncnc3N2)cc1C 2919579 NIKLQXANSVAIHM-MSOLQXFVSA-N 338.842 4.695 0 40 EJAB CC(C)CC(=O)Nc1ccc(-c2csc(N3CCCCC3)n2)cc1 3328504 BRTYPXQCYTZHOT-UHFFFAOYSA-N 343.496 4.785 0 40 EJAB O=C(c1cc2ccccc2o1)[C@H](Cc1ccccc1)N1CCCCC1 3355886 DOCXWYDRIZSBRT-IBGZPJMESA-N 333.431 4.713 0 40 EJAB Fc1cccc(F)c1-n1c(CN2CCCCC2)csc1=S 4054508 AVZBEZWBPRBHQV-UHFFFAOYSA-N 326.437 4.532 0 40 EJAB CC(=O)c1sc(NC(=O)/C=C/c2ccccc2)nc1-c1ccccc1 4070029 PWGBTAXBUIROSY-OUKQBFOZSA-N 348.427 4.665 0 40 EJAB O=C(O)c1ccccc1Nc1ccccc1Nc1ccccc1C(=O)O 4247392 QDNGOZZHJFTOOL-UHFFFAOYSA-N 348.358 4.570 0 40 EJAB CCc1ccccc1NC(=O)c1nnn(-c2ccc(C(C)C)cc2)c1C 4483307 MLUJEDLJSMHVDZ-UHFFFAOYSA-N 348.450 4.514 0 40 EJAB CC(=O)c1sc(NC(=O)Nc2ccc(Cl)c(Cl)c2)nc1C 6500467 VWUSJVNKAUGIFQ-UHFFFAOYSA-N 344.223 4.605 0 40 EJAB CCc1c(C)sc2[nH]c(=S)n(-c3ccc(C)c(C)c3)c(=O)c12 6566823 UIHIATLKQCNESQ-UHFFFAOYSA-N 330.478 4.597 0 40 EJAB COc1ccc(CCNc2cc(C)c3ccc(C)cc3n2)cc1OC 7003039 QYFLTDDMHCBAMJ-UHFFFAOYSA-N 336.435 4.523 0 40 EJAB COc1ccc(NC(=O)c2ccc(N3CCCCC3)cc2)cc1Cl 7504677 RTGPMWJJHYXFQZ-UHFFFAOYSA-N 344.842 4.591 0 40 EJAB Cc1cc(C)n2nc(Cc3ccc(F)cc3)c(-c3ccccc3)c2n1 7604627 PVBADOFYKNAMSR-UHFFFAOYSA-N 331.394 4.743 0 40 EJAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(OC(C)C)cc1 8569232 YQZJFQJCBDUFOT-IBGZPJMESA-N 327.424 4.578 0 40 EJAB CC1=C(C)[C@@H](Nc2ccccc2)N([C@H](C)CCc2ccccc2)C1=O 8986006 JLGJJBBOKQARCR-IERDGZPVSA-N 334.463 4.625 0 40 EJAB S=C(NCCc1cccs1)Nc1ccc(Cl)cc1Cl 9483555 WPGISTAVGIHTKF-UHFFFAOYSA-N 331.293 4.584 0 40 EJAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1Cl 13689049 LWQNOCUCTYSLCG-CYBMUJFWSA-N 325.795 4.899 0 40 EJAB C[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(SC(F)F)cc1 15330518 HDQSITMDGZHVAM-SNVBAGLBSA-N 341.354 4.546 0 40 EJAB O=C(NC12CC3CC(CC(C3)C1)C2)C1(c2ccc(Cl)cc2)CCC1 16021592 YIWQUTDVCPKKEZ-UHFFFAOYSA-N 343.898 4.847 0 40 EJAB Cc1ccc(CN(C)C(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1 20450477 HVOOGDDJKSIAEN-KRWDZBQOSA-N 333.431 4.574 0 40 EJAB Cc1cccc(O[C@H](C)C(=O)N[C@@H](CC(C)C)c2ccccc2)c1 20456447 CMIYMCDKPIVPBG-XLIONFOSSA-N 325.452 4.666 0 40 EJAB CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@H](C)CCc1ccccc1 20491664 GWPVFUNLYDXSLT-XLIONFOSSA-N 339.479 4.598 0 40 EJAB c1coc(CN(Cc2cccs2)c2ncnc3sccc23)c1 23619518 RPKMMVBTIQFWLU-UHFFFAOYSA-N 327.434 4.553 0 40 EJAB CC(C)COc1ccc(NC(=O)c2ccc[nH]c2=S)cc1Cl 30188013 PJXWPEXJLSUUTB-UHFFFAOYSA-N 336.844 4.685 0 40 EJAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1OC 30864686 ZEGRTOUAUIUAMM-INIZCTEOSA-N 335.856 4.858 0 40 EJAB Cc1nc(NC(=O)c2c(F)cccc2F)sc1-c1ccccc1 31968367 MMEXYMUAZUWLIG-UHFFFAOYSA-N 330.359 4.649 0 40 EJAB CCN(C(=O)Cc1csc(-c2ccc(F)cc2)n1)c1ccccc1 32714751 CNWMYIUVFBHCBX-UHFFFAOYSA-N 340.423 4.545 0 40 EJAB CC[C@H](NC(=O)c1oc2c(F)cccc2c1C)c1ccc(OC)cc1 32721515 VIPUERPSVGUROT-KRWDZBQOSA-N 341.382 4.770 0 40 EJAB Cc1cc(=O)oc2cc3occ(-c4ccc5c(c4)OCCCO5)c3cc12 36369888 UQINBEKYHKSEDT-UHFFFAOYSA-N 348.354 4.676 0 40 EJAB biogenic C[C@@H]1CCCN(Cc2ccc(C(=O)N3CCCc4ccccc43)cc2)C1 38755755 AOEUVQNQWZGMKZ-GOSISDBHSA-N 348.490 4.512 0 40 EJAB COc1ccccc1[C@H](C)NC(=O)c1ccccc1SC(C)C 49940520 ACANMPJWTKGGGQ-AWEZNQCLSA-N 329.465 4.687 0 40 EJAB CN(C(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1)C1CC1 59402998 DZQLTHTYEAXYQO-UHFFFAOYSA-N 335.325 4.732 0 40 EJAB CCOC(=O)/C=C/c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 62715123 ALZWXSZNMHYREG-YRNVUSSQSA-N 346.810 4.504 0 40 EJAB Cc1cnc(C(C)(C)NC(=O)Nc2cc(Cl)ccc2Cl)s1 75106294 ZBNKKYMUUQDBFD-UHFFFAOYSA-N 344.267 4.815 0 40 EJAB C[C@@H](NC(=O)N(C)[C@H]1CCc2ccccc21)c1ccc2c(c1)CCCC2 84651756 LTZHVWHWMAGPDX-ZHRRBRCNSA-N 348.490 4.955 0 40 EJAB FC(F)(F)C(F)(F)SCCCNCc1ccc(Cl)cc1 95918366 YOHBCBSFTDGCCN-UHFFFAOYSA-N 333.753 4.708 0 40 EJAB C[C@H](N[C@@H]1CCc2ccccc21)C(=O)Nc1cc(Cl)cc(Cl)c1 95946716 UOCLZCIQOCUTEB-APPDUMDISA-N 349.261 4.598 0 40 EJAB Cc1ccccc1NC(=O)NCCc1c(C)[nH]c2c(C)ccc(C)c12 96182561 PQGHNEXSMWKVSK-UHFFFAOYSA-N 335.451 4.766 0 40 EJAB O=C(N1CCCc2ccccc21)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 100991953 BKYPYPMMRVTFHX-SNEKZUEESA-N 329.871 4.544 0 40 EJAB CC(=O)[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@H]4O)[C@@H]3CC[C@@]2(C)C1 118915091 HAAMJEYGPJBHCI-SDJHNBRXSA-N 332.528 4.985 0 40 EJAB O=C1c2ccccc2C(=O)N1[C@@H](Sc1ccccc1)c1ccccc1 145242512 SENNFJRKWDDTQW-NRFANRHFSA-N 345.423 4.774 0 40 EJAB Fc1ccc(NC(=S)NC2(c3cccnc3)CCCC2)cc1Cl 225856837 RFOLOTSEHJORFZ-UHFFFAOYSA-N 349.862 4.630 0 40 EJAB CCOc1ccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1 409132396 XSORMPFKSFSBNR-SFQUDFHCSA-N 345.464 4.702 0 40 EJAB CC[C@@H](c1ccccc1)c1nc(-c2ccc(Br)cc2)n[nH]1 642882609 RYNBDAYDSXPYLM-HNNXBMFYSA-N 342.240 4.776 0 40 EJAB Cc1cccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccccc2)c1 362942 GTGCKAIQJXXQMF-OAQYLSRUSA-N 330.383 4.776 0 40 EJAB Cc1ccc(N2C(=O)S/C(=C\c3c[nH]c4ccccc34)C2=O)cc1 1198414 IHSVNRGOSXEMCB-YVLHZVERSA-N 334.400 4.717 0 40 EJAB CCC[C@H](C(=O)Nc1nc2ccc(OC)cc2s1)c1ccccc1 3451055 UHECKKJDXJWHBP-HNNXBMFYSA-N 340.448 4.827 0 40 EJAB Cc1cc2cc(CNC(=O)c3ccc4ccccc4c3)ccc2n1C 4061534 BXGWFVJJLMQMIO-UHFFFAOYSA-N 328.415 4.570 0 40 EJAB Clc1cccc(-c2nnc3sc(/C=C/c4ccccc4)nn23)c1 4664972 KVJHXCYCADKZIP-MDZDMXLPSA-N 338.823 4.677 0 40 EJAB O=C(CSc1ccc2ccccc2n1)N[C@H]1CCCc2ccccc21 5626761 GKNPGXZNNVGOAH-IBGZPJMESA-N 348.471 4.521 0 40 EJAB O=C(Cc1c(F)cccc1Cl)Nc1cccc(C(F)(F)F)c1 6788753 DZMZMLVYWLEVJR-UHFFFAOYSA-N 331.696 4.679 0 40 EJAB C[C@@H](NC(=O)CSc1cc(F)ccc1F)c1cc2ccccc2o1 7755807 XNBUYGRHYYTNNO-LLVKDONJSA-N 347.386 4.681 0 40 EJAB CCc1ccc2c(C[n+]3ccc(C(CC)CC)cc3)cc(=O)oc2c1 7762719 ICWMSTLNLCFIDM-UHFFFAOYSA-N 336.455 4.595 0 40 EJAB Cc1c(C(=O)Nc2ccccc2OC(F)F)oc2ccc(F)cc12 8210580 BXHGNMQDKNDFLS-UHFFFAOYSA-N 335.281 4.734 0 40 EJAB Cc1ccc2[nH]c(-c3ccc(NC(=O)c4ccccc4F)cc3)nc2c1 9668753 RJDUPKMIVSVHPR-UHFFFAOYSA-N 345.377 4.930 0 40 EJAB O=C(NCCCn1ccc2ccccc21)c1ccc(Cl)cc1Cl 12555857 DSTMDSKGPMVGAJ-UHFFFAOYSA-N 347.245 4.768 0 40 EJAB C/C=C/c1ccc(O[C@@H](C)C(=O)Nc2c(C)cccc2C)c(OC)c1 12690015 SKDCOIMRRYEIDV-BVBGJJFLSA-N 339.435 4.751 0 40 EJAB O=C(Cc1coc2cc3c(cc12)CCC3)Nc1cccc2cnccc12 12790924 PXKKDOFUABRVST-UHFFFAOYSA-N 342.398 4.651 0 40 EJAB FC(F)(F)c1cnc(Sc2nc3ccccc3[nH]2)c(Cl)c1 13234004 IDKGWKFEIJKDRM-UHFFFAOYSA-N 329.734 4.781 0 40 EJAB Cc1ccc(OCC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1C 13612185 LNQSYPRGWOXHPH-KRWDZBQOSA-N 339.479 4.857 0 40 EJAB CSc1ccccc1NC(=O)c1ccc(Br)cc1F 14197000 QAAGNCNKRBCECT-UHFFFAOYSA-N 340.217 4.562 0 40 EJAB COCc1c(C(=O)OCc2ccccc2)sc2cccc(F)c12 17937249 UMIZYGREKSJPKV-UHFFFAOYSA-N 330.380 4.544 0 40 EJAB CCOCCOc1ccccc1CNc1ccc(O[C@H](C)CC)cc1 19737542 MDONHRXVIJFUOV-QGZVFWFLSA-N 343.467 4.891 0 40 EJAB Cc1cccc(O[C@H](C)C(=O)N[C@H](CC(C)C)c2ccccc2)c1C 20108953 REFZQPRIVJCCMR-UYAOXDASSA-N 339.479 4.974 0 40 EJAB Cc1cc2nnc(SCc3ccc(Cl)nc3)n2c2ccccc12 23407767 GZNKLMZSWWZEGG-UHFFFAOYSA-N 340.839 4.532 0 40 EJAB COc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)c2cccnc12 28293304 WHRKSTUSWPNXQS-UHFFFAOYSA-N 334.419 4.793 0 40 EJAB CC(=O)Nc1ccc(CN[C@H](C)c2ccc(C(F)(F)F)cc2)cc1 28926862 XPBSRAAPULSJFI-GFCCVEGCSA-N 336.357 4.515 0 40 EJAB COc1cc(-c2nc3c(Cl)cccc3s2)cc(OC)c1OC 45920872 UCDZLLRADNGJPN-UHFFFAOYSA-N 335.812 4.643 0 40 EJAB CCn1c(S[C@H](C)c2cc(F)ccc2F)nc2ccccc2c1=O 58333192 AJXWHIZSNNUFFD-LLVKDONJSA-N 346.402 4.548 0 40 EJAB CC[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1)c1ccc(C)cc1 59351779 NWKKVMWDHLLGNG-BEFAXECRSA-N 345.870 4.992 0 40 EJAB Cc1ccc([C@H](NC(=O)c2ccncc2Cl)c2ccccc2)cc1 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HBXSTCKGUJPOLE-ZDUSSCGKSA-N 340.448 4.552 0 40 EJAB Cc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccccc2C)C3=O)cc1 482399 SHOXXVPPBAOKGK-UHFFFAOYSA-N 343.382 4.896 0 40 EJAB CCCCc1ccc(Nc2nc(C(=O)OCC)nc3ccccc23)cc1 1913352 PIVTZXKLIURXKN-UHFFFAOYSA-N 349.434 4.893 0 40 EJAB CCCCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(C)cc2)cc1 1937390 PTOGIEHSQPDESG-NTEUORMPSA-N 337.419 4.604 0 40 EJAB CCC(C)(C)NC(=O)c1ccccc1OCc1ccc(Cl)cc1 2651996 LMNOXGHNYHTFMV-UHFFFAOYSA-N 331.843 4.837 0 40 EJAB Cc1cc(C)c(C(=O)COc2cccc(Br)c2)cc1C 3347165 RICZZKHBLIKPGA-UHFFFAOYSA-N 333.225 4.636 0 40 EJAB CCC(C)(C)c1ccc2c(C(=O)N[C@@H](C)[C@@H]3CCCO3)csc2c1 6850620 AOLXFPVSSXENRY-GUYCJALGSA-N 345.508 4.886 0 40 EJAB Cc1cc(C(=O)Nc2nc(-c3cccc4ccccc34)cs2)no1 9203970 IMXOXSMBLLIMGP-UHFFFAOYSA-N 335.388 4.512 0 40 EJAB COc1ccc(Nc2cc(-c3ccc(C)cc3)nc(C)n2)cc1OC 11907653 NSCZBCRWWLSPEZ-UHFFFAOYSA-N 335.407 4.521 0 40 EJAB Cc1ccc(OCC(=O)Nc2ccc(C(F)(F)F)cc2Cl)cc1 14258369 VXXFPBPLURHBHN-UHFFFAOYSA-N 343.732 4.685 0 40 EJAB O=C(/C=C\c1ccccc1)Nc1nnc(-c2ccc(Cl)cc2)s1 17178103 ZEVRBWVVODZKAK-WDZFZDKYSA-N 341.823 4.510 0 40 EJAB Cc1cc(C(=O)O)ccc1NC(=O)c1cccc2c(Cl)cccc12 20138975 VCABUMJNYYHIDP-UHFFFAOYSA-N 339.778 4.752 0 40 EJAB Cc1ccc(-n2nc(C)c3c2C[C@H](c2ccccc2C)CC3=O)cc1 20633029 OBKUONOHJNPQHO-KRWDZBQOSA-N 330.431 4.710 0 40 EJAB C[C@@H]1CCc2nc(NC(=O)c3occc3-c3ccccc3)sc2C1 25280188 JBFRACXQDWWNTE-GFCCVEGCSA-N 338.432 4.780 0 40 EJAB Cc1ccc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)c2cccnc12 31095478 UHWUIXWTGWJOIS-ZDUSSCGKSA-N 340.810 4.603 0 40 EJAB O=C(Nc1nc(-c2cccs2)cs1)[C@H]1Cc2ccccc2S1 32878866 ARDADRGMJIXEIA-CQSZACIVSA-N 344.486 4.527 0 40 EJAB COC(=O)c1c(CCc2ccc(-c3ccccc3)cc2)cccc1OC 35973638 GUJQMGBQKIDHKB-UHFFFAOYSA-N 346.426 4.934 0 40 EJAB C[C@@H](c1nc(-c2cccs2)no1)N(C)Cc1cccc(Cl)c1 40071607 NVNOAXPSKWLAJG-NSHDSACASA-N 333.844 4.645 0 40 EJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H]1CCCc2ccccc21 44903850 ZCWPEJVEPUOPAI-MOPGFXCFSA-N 343.854 4.691 0 40 EJAB Cc1ccc(C)c(-c2cc(-c3nc(-c4ccccc4C)no3)[nH]n2)c1 46914262 ZJERFXNZHAJKJB-UHFFFAOYSA-N 330.391 4.719 0 40 EJAB O=C(Nc1cccc(OC2CCCC2)c1)[C@@H]1Cc2ccccc2S1 58366862 VFWOFQCKVSASAM-IBGZPJMESA-N 339.460 4.664 0 40 EJAB O=C(CCCc1nc2ccccc2s1)Nc1ccc2[nH]ccc2c1 71281871 HTDNWIXSUOPJFM-UHFFFAOYSA-N 335.432 4.739 0 40 EJAB Cc1nnc(-c2ccc(NC(=O)c3oc4c(C)cccc4c3C)cc2)o1 72292940 FOUUBZUDVXNYQS-UHFFFAOYSA-N 347.374 4.660 0 40 EJAB Cc1nc2ccc(Cl)cn2c1-c1csc(-c2cccc(N)c2)n1 85397368 DVBLDUATIDRNJP-UHFFFAOYSA-N 340.839 4.669 0 40 EJAB C[C@@H](NC(=O)c1ccccc1SCc1cccs1)C1CCC1 89894237 BTSPELLYRIQWOS-CYBMUJFWSA-N 331.506 4.959 0 40 EJAB CC(C)CN1CCC(N[C@@H]2CC3(CCCC3)Oc3ccccc32)CC1 95967256 VEDUATXGSKWVNV-HXUWFJFHSA-N 342.527 4.533 0 40 EJAB C[C@]12C[C@@H](NC(=O)N1c1ccc(Cl)cc1)c1cc(Cl)ccc1O2 100851237 PYUJBPVTJFZSPC-PBHICJAKSA-N 349.217 4.763 0 40 EJAB CCc1ccc(N2C(=O)N[C@H]3C[C@@]2(C)Oc2ccc(Cl)cc23)cc1 102226936 NQJHUVRINBCVSX-QFBILLFUSA-N 342.826 4.672 0 40 EJAB Cc1ccc(C(=O)Sc2nnc(Cc3ccc(Cl)cc3)o2)cc1 107596568 JTUJHBULIXPTFX-UHFFFAOYSA-N 344.823 4.555 0 40 EJAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCCSC1CCCCC1 222982713 JUCNNDIUGPHPAC-IBGZPJMESA-N 349.540 4.643 0 40 EJAB Cc1ccccc1[C@H](NC(=O)Cc1ccc(F)cc1)c1ccccc1 224360268 DUFONALEXQDPNZ-JOCHJYFZSA-N 333.406 4.582 0 40 EJAB O=C(CCc1c(Cl)cccc1Cl)N1CCc2ccccc2C1 225345712 HMUANMCCAMOGON-UHFFFAOYSA-N 334.246 4.511 0 40 EJAB CCN(C(=O)C(F)(F)F)c1cccc(-c2nc3cc(C)ccc3o2)c1 226284517 IIWMOVKDCJERDC-UHFFFAOYSA-N 348.324 4.718 0 40 EJAB Fc1ccc(Oc2ccccc2)c(OCCCN2CCCCC2)c1 585266192 HRUPIOGKKORYCE-UHFFFAOYSA-N 329.415 4.873 0 40 EJAB CC(C)(C)C1CCC(CC(=O)N2CCC3(CCC(O)CC3)CC2)CC1 622626912 PHYCNSBEEBGTGK-UHFFFAOYSA-N 349.559 4.773 0 40 EJAB O=C(c1ccc(-c2ccccc2)cc1)N1CCC2(CC1)CC2(F)F 650599063 BYQIOTCKVGMALI-UHFFFAOYSA-N 327.374 4.615 0 40 EJAB CCc1ccccc1OCC(=O)Oc1ccccc1-c1ccccc1 131089 IQSAEHSOTCMWFJ-UHFFFAOYSA-N 332.399 4.900 0 40 EJAB CCOC(=O)c1cnc2ccc(Cl)cc2c1Nc1cccc(O)c1 144807 IWLFVBSFPFHJKB-UHFFFAOYSA-N 342.782 4.514 0 40 EJAB CCOc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1OCC 176823 XEGIZFARXLUFFL-UHFFFAOYSA-N 327.424 4.860 0 40 EJAB O=C(O[C@H](c1ccccc1)C(Cl)(Cl)Cl)c1ccccc1 352476 CDFHHEIBQKAUJL-CYBMUJFWSA-N 329.610 4.955 0 40 EJAB c1ccc(Cn2c(-c3cccs3)nc3nc4ccccc4nc32)cc1 521803 NOEWJGYPOLCLIR-UHFFFAOYSA-N 342.427 4.756 0 40 EJAB O=C(Cc1ccc(Br)cc1)c1ccc(C(F)(F)F)cc1 2393040 FSVDTRQXNCWVRI-UHFFFAOYSA-N 343.142 4.893 0 40 EJAB O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccccc1-n1ccnc1 4025626 QMDWLMGSOLAXFX-UHFFFAOYSA-N 346.312 4.535 0 40 EJAB O=C(CN1CCCCCC1)N1c2ccccc2Sc2ccccc21 4893563 AFMMLOHZMBEPQA-UHFFFAOYSA-N 338.476 4.692 0 40 EJAB CCCCC(=O)Nc1c(-c2cccc(C)c2)c(=O)c2ccccc2n1C 5267104 YDBKYZLRBBRKGJ-UHFFFAOYSA-N 348.446 4.643 0 40 EJAB CCOC(=O)c1ccc(-c2ccc(CN[C@@H](C)c3ccccc3)o2)cc1 7519748 LURVNKLWPQGTRF-INIZCTEOSA-N 349.430 4.974 0 40 EJAB CCOc1cc(CNC2CCCC2)ccc1OCc1cccs1 8254732 MNCJNTDNIKZKIA-UHFFFAOYSA-N 331.481 4.758 0 40 EJAB CCCOc1ccc(NC(=O)COc2ccc(Cl)c(C)c2C)cc1 12138059 PVGWTJDXBLGDLU-UHFFFAOYSA-N 347.842 4.763 0 40 EJAB CCOc1ccc2nc(SCc3cn4ccsc4n3)sc2c1 12563350 SMBLCARSNKLBNJ-UHFFFAOYSA-N 347.490 4.697 0 40 EJAB Cc1c(C(=O)N2CCC[C@@H](C(F)(F)F)C2)sc2cccc(F)c12 12793495 BOOSYYQCKZYBLB-SNVBAGLBSA-N 345.361 4.763 0 40 EJAB C[C@@H]1CCCN(C(=O)c2ccc(CSc3ccccc3)cc2)C1 13632341 FVWLHRSRPRPYSX-MRXNPFEDSA-N 325.477 4.851 0 40 EJAB CCOc1ccc(NC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1 13689089 AXKZZZJDJVJXPP-HNNXBMFYSA-N 335.403 4.645 0 40 EJAB O=C(Nc1cccc(Cl)c1)N1CCCC[C@H]1CCN1CCCCC1 13720477 WQRCUOHVMUYBKG-SFHVURJKSA-N 349.906 4.602 0 40 EJAB Cc1sc(NC(=O)C[C@@H]2C=CCC2)nc1-c1ccc(F)c(F)c1 14633598 KCTGMRMLLHBKOQ-LLVKDONJSA-N 334.391 4.692 0 40 EJAB O=C(CCc1ccccc1Cl)Nc1cccc(C(F)(F)F)c1 14835489 MVCVGIGEUHTGCW-UHFFFAOYSA-N 327.733 4.930 0 40 EJAB FC(F)(F)c1cccc(NC(=S)NCCC2=CCCCC2)c1 16155660 SFRGSEPDRARLKV-UHFFFAOYSA-N 328.403 4.882 0 40 EJAB CC(C)c1ncc(CN[C@H]2[C@@H]3CCCC[C@H]3[C@@H]2c2ccccc2)cn1 19454168 KWOGUJMPTNNLDT-CGXNFDGLSA-N 335.495 4.662 0 40 EJAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 20105437 SETSKROESJKKTN-OAHLLOKOSA-N 342.197 4.929 0 40 EJAB CC(C)CCC(=O)Nc1ccccc1-c1nc(Cc2ccccc2)no1 22463201 JSBUZJILPORBJV-UHFFFAOYSA-N 349.434 4.702 0 40 EJAB CN(c1ccccc1)c1ncnc2sc(Nc3ccccc3)nc12 26897295 MPRWFWZUWRETPQ-UHFFFAOYSA-N 333.420 4.598 0 40 EJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N1CCCC(C)(C)C1 30856449 MXCRKFKILCHJAN-IBGZPJMESA-N 325.452 4.646 0 40 EJAB Cc1cccc(NC(=O)N(C)Cc2ccc(Br)cc2)c1C 40095349 YJYBKVQVVGEFNV-UHFFFAOYSA-N 347.256 4.730 0 40 EJAB CCOc1ccc2cccc(NC(=O)c3ccccc3Cl)c2n1 49414969 QHJOEQAFPFHPAQ-UHFFFAOYSA-N 326.783 4.539 0 40 EJAB CC[C@@H](Oc1ccc(C)cc1)C(=O)N[C@@H](C)c1ccc(C)cc1C 59351647 JJFXYNZMTVTFEL-FXAWDEMLSA-N 325.452 4.647 0 40 EJAB COc1ccc(NC(=O)N(CCc2ccccc2)C2CCCC2)cc1 72270830 ROKLBDNMONYTIR-UHFFFAOYSA-N 338.451 4.714 0 40 EJAB CC1(C)C[C@H]2C[C@@](C)(CN2S(=O)(=O)c2ccc(C(C)(C)C)cc2)C1 102217664 MTUPOGYWPRWVBX-OXJNMPFZSA-N 349.540 4.573 0 40 EJAB CC[C@]1(O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CC[C@@]2(C)C1 118914971 LGGIZFYVYSKSFW-ZFBPGJDDSA-N 334.544 4.921 0 40 EJAB Cc1ccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1 218970892 LTTUCFDRSPIMOO-SJORKVTESA-N 339.479 4.937 0 40 EJAB CC[C@H](NC(=O)[C@@H](C)Oc1cc(C)ccc1C)c1ccc(C)c(C)c1 219073751 HROMRLLVVNNENC-QUCCMNQESA-N 339.479 4.955 0 40 EJAB CC(C)c1ccccc1OCC(=O)N[C@@H](C)c1ccc2c(c1)CCC2 223245174 IXZBPPKLTXPNKG-INIZCTEOSA-N 337.463 4.555 0 40 EJAB COc1cc(C)c([C@H](C)NC(=O)NC2CCCCC2)cc1C(C)C 223391390 RJXLQPSXKHRXLH-HNNXBMFYSA-N 332.488 4.820 0 40 EJAB Cc1c(Cl)cccc1C[C@@H](Oc1ccccc1C(C)C)C(=O)O 225071243 SGNIWQWACLQWSB-GOSISDBHSA-N 332.827 4.847 0 40 EJAB Cc1ccc(NC(=O)[C@H](C)Oc2cccc3c2CCCC3)cc1Cl 225391701 YYPLLLUJFWEZRQ-AWEZNQCLSA-N 343.854 4.933 0 40 EJAB CCCOc1ccccc1CCCNC(=S)Nc1ccc(C)cc1 225624207 HZQJLXXKRGUHEH-UHFFFAOYSA-N 342.508 4.703 0 40 EJAB CC(C)(C)SC[C@@H]1CCCCN1C(=O)CCc1ccccc1F 390828744 BUMHGHDLWUBGQF-INIZCTEOSA-N 337.504 4.671 0 40 EJAB Cc1ccc(C)c(-c2ccc(OC(=O)c3cccc(Cl)c3)nn2)c1 408531650 VWMISUJDTVBEGU-UHFFFAOYSA-N 338.794 4.633 0 40 EJAB Cc1ccc2nsnc2c1NC(=O)/C=C/c1ccc(C(C)C)cc1 408574547 RVVZMUXAPVPSJQ-YRNVUSSQSA-N 337.448 4.775 0 40 EJAB Cc1cc(-c2cc(C(F)(F)F)nn2[C@H]2CCO[C@H](C)C2)c(C)o1 634609898 MENPGSJBXZJHSK-SKDRFNHKSA-N 328.334 4.519 0 40 EJAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC2(CC1)CC2(F)F 649929273 LTWLOSGAMAMPLC-UHFFFAOYSA-N 335.181 4.647 0 40 EJAB CC[C@H](C(=O)NCCc1ccc(-c2ccco2)s1)c1ccccc1 2086896815 JKAXXSYJRJPOHV-KRWDZBQOSA-N 339.460 4.861 0 40 EJAB Cc1cc(OC(=O)c2cnn(-c3ccccc3)c2C)cc(C)c1Cl 385356 KWDHEBGONAONCB-UHFFFAOYSA-N 340.810 4.670 0 40 EJAB CC(C)(C)c1ccc(-c2nnnn2-c2cccc(C(F)(F)F)c2)cc1 411270 OUTMHAKBGWLJCK-UHFFFAOYSA-N 346.356 4.646 0 40 EJAB COc1ccccc1Nc1nc(C)nc2sc3c(c12)CCCC3 553707 LFFMOLRDDOXMKF-UHFFFAOYSA-N 325.437 4.631 0 40 EJAB CCOc1cccc2sc(NC(=O)c3ccc(Cl)cc3)nc12 567824 HLZYJUUETLFMOD-UHFFFAOYSA-N 332.812 4.601 0 40 EJAB CCc1ccc(N2COc3c(cc4c(C)c(C)c(=O)oc4c3C)C2)cc1 2118116 GXERIEFVAKVCDJ-UHFFFAOYSA-N 349.430 4.637 0 40 EJAB biogenic CCCCc1nc(SCC)c2c3c(sc2n1)COC(C)(C)C3 2339795 PUYKXHOUBJIVCQ-UHFFFAOYSA-N 336.526 4.997 0 40 EJAB C[C@@H]1CCCN(C(=O)c2cc(-c3cccs3)nc3ccccc23)C1 3294319 XECIMUVJDYQHCB-CQSZACIVSA-N 336.460 4.835 0 40 EJAB C[C@@H]1CCc2sc(C(=O)Nc3ccc(OC(F)F)cc3)cc2C1 3419630 WZYWRXYCWCMLHF-SNVBAGLBSA-N 337.391 4.727 0 40 EJAB O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCCC[C@H]1c1cccnc1 4000503 QKORLSWPVRPZBR-SFHVURJKSA-N 339.826 4.584 0 40 EJAB biogenic Cc1cc(C)c2nc(NC(=O)c3ccc4ncsc4c3)sc2c1 4088377 LKUQHMLRSSRGDR-UHFFFAOYSA-N 339.445 4.775 0 40 EJAB Oc1cccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN23)c1 4361177 BOURZNRLAYPTDH-XLIONFOSSA-N 348.427 4.696 0 40 EJAB O=C(O)c1cc(-c2ccc(-c3ccccc3F)o2)nc2ccccc12 4387652 QYZZZRUVRPCHIL-UHFFFAOYSA-N 333.318 4.999 0 40 EJAB Cc1cc2nccc(-c3ccccc3OCc3ccc(Cl)cc3)n2n1 5697976 WULBLSVCYIYJPR-UHFFFAOYSA-N 349.821 4.937 0 40 EJAB COc1ccccc1[C@@H](C)NC(=O)c1ccc(-c2ccccc2F)o1 6607954 HPUZAPHQWZFOGT-CYBMUJFWSA-N 339.366 4.585 0 40 EJAB CC(C)c1ccccc1NS(=O)(=O)/C=C/c1ccc(Cl)cc1 7056197 MQDANYCKBRZNMO-VAWYXSNFSA-N 335.856 4.876 0 40 EJAB Cc1ccccc1OCCCCSCc1nc2ccccc2[nH]1 7998511 KQOFRSPDCZFGIX-UHFFFAOYSA-N 326.465 4.964 0 40 EJAB C[C@@H](C(=O)N1CCCC1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 9420226 APTMFYQJBMPVCJ-GFCCVEGCSA-N 326.827 4.700 0 40 EJAB Cc1cc(SCC(=O)c2ccc(-c3ccccc3)cc2)nc(C)n1 12016875 TYLXSVQJKQLLMV-UHFFFAOYSA-N 334.444 4.735 0 40 EJAB CCCCn1c([C@H]2CC(=O)N(c3cccc(C)c3)C2)nc2ccccc21 12411032 BENBGTCHFQSZMT-KRWDZBQOSA-N 347.462 4.665 0 40 EJAB CCOc1ccc(Oc2ccc(NC(=O)CC(F)(F)F)cc2)cc1 12787124 RVCOXXSAVWIWFC-UHFFFAOYSA-N 339.313 4.769 0 40 EJAB C[C@@H]1C[C@H](OC(=O)Nc2ccccc2)[C@H]2C=C(Cl)C=C[C@@H]2S1 12857580 AVUMPMDHVMPXFL-FWYOQMDTSA-N 335.856 4.806 0 40 EJAB O=C(Nc1cccc(Cl)c1)N[C@@H]1CCSc2ccc(F)cc21 13001385 UICWEGICCCVOPZ-CQSZACIVSA-N 336.819 4.838 0 40 EJAB COc1ccc(Cl)cc1C(=O)Nc1ccc(-c2nccs2)cc1 14123473 CCILUWQHGBPNOX-UHFFFAOYSA-N 344.823 4.724 0 40 EJAB O=C(NCc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(F)cc1 14257930 WCFOXSBHTAZZOA-UHFFFAOYSA-N 346.361 4.564 0 40 EJAB COc1ccc2cc([C@@H]3SCC(=O)N3C3CCCCC3)ccc2c1 19927474 MERCUSXXXPOULN-FQEVSTJZSA-N 341.476 4.755 0 40 EJAB CC(C)c1ccc(-c2nc(C(=O)N(C)[C@H](C)C3CC3)cs2)cc1 25716317 HIQUAIMOMVODFY-CYBMUJFWSA-N 328.481 4.804 0 40 EJAB Cc1nc(C)c(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)s1 31487258 VIWARGWUQNYJFD-UHFFFAOYSA-N 349.887 4.656 0 40 EJAB COc1cccc(-c2cc3c(SCc4ccccc4)nccn3n2)c1 38486614 XPGIXXJYFOOPBX-UHFFFAOYSA-N 347.443 4.697 0 40 EJAB CC(=O)c1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)cc1 59477508 VUDFMAWTRNWLPD-WYMLVPIESA-N 331.371 4.801 0 40 EJAB O=C(c1ccccc1)N1CCC[C@@H]1c1cccnc1Nc1ccccc1 72214145 GPZFGWVFYSCPIQ-HXUWFJFHSA-N 343.430 4.803 0 40 EJAB O=C(NCc1ccc(F)cc1Cl)c1ccc(Cl)cc1Cl 72331412 BKWLBNMBHDZZQD-UHFFFAOYSA-N 332.589 4.716 0 40 EJAB O=C(CCc1ccco1)N1CCCC[C@H]1CCCc1ccccc1 89830483 JFJBLBNPDGQYPN-IBGZPJMESA-N 325.452 4.616 0 40 EJAB CC(C)(C)c1nc(COc2cccc(Oc3ncccn3)c2)cs1 95938953 DBWJQNXADWMHKL-UHFFFAOYSA-N 341.436 4.602 0 40 EJAB COc1ccc(C(=O)NC(C)C)cc1COc1cccc2ccccc12 224297966 OOFLCEZTKQIFCV-UHFFFAOYSA-N 349.430 4.566 0 40 EJAB CCOc1ccc(C(=O)Nc2ccc(CC)cc2)cc1COC(C)C 224715137 ZWJFZZXAWYRCKJ-UHFFFAOYSA-N 341.451 4.825 0 40 EJAB COc1ccc(C(=O)N[C@@H](c2ccccc2)c2cccc(C)c2)cc1C 224737150 ODZLBLUGCSUXDJ-QFIPXVFZSA-N 345.442 4.831 0 40 EJAB CCCCOc1ccc(NC(=O)[C@@](C)(OCCC)C2CC2)cc1C 225673472 SEHXJYKVTWJUCS-FQEVSTJZSA-N 333.472 4.708 0 40 EJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)CCc1ccccc1 408680975 UTEJRGZRALWQRQ-BEFAXECRSA-N 345.870 4.635 0 40 EJAB COc1ccc(CCCC(=O)Nc2cc(Cl)ccc2OC)c(C)c1 408915872 RFIPLNUJIIZJQN-UHFFFAOYSA-N 347.842 4.627 0 40 EJAB CCOc1cc(C(=O)Nc2ccccc2)ccc1OCc1ccccc1 409093106 XNTAVWXVDKVTQS-UHFFFAOYSA-N 347.414 4.917 0 40 EJAB O=C(COc1ccccc1)c1cc(C(F)(F)F)ccc1C(F)(F)F 575242744 GDSZWWPEAOCTKL-UHFFFAOYSA-N 348.242 4.986 0 40 EJAB Cc1cc2c(cc1-c1ccnc(N3CCCC3)n1)[C@@H](C)CC(C)(C)N2 575473269 PYXWAIJFDPBLAM-HNNXBMFYSA-N 336.483 4.750 0 40 EJAB FC(F)(F)Oc1cc(Br)c2nccc(Cl)c2c1 1848350479 UCIIKDTWUPDWTL-UHFFFAOYSA-N 326.499 4.549 0 40 EJAB CCOc1cc(/C=C/C(=O)O)ccc1OCc1ccc2ccccc2c1 567253 FQNMZZWTVZAMJM-FMIVXFBMSA-N 348.398 4.915 0 40 EJAB Cc1cc(C)cc(OC(F)(F)C(=O)Nc2ccc(Cl)cc2)c1 1393225 ISKPIBGEBXZCSU-UHFFFAOYSA-N 325.742 4.567 0 40 EJAB CCCCN(CC)C[C@@H](CC)Nc1cc(OC)cc2cccnc12 1592129 MSAOVUPSUJPSAC-QGZVFWFLSA-N 329.488 4.556 0 40 EJAB CCCCSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccccc1 2720647 UPXROKDNJBPRLN-UHFFFAOYSA-N 349.459 4.759 0 40 EJAB O=C(Nc1ccc(Br)cc1)c1cc(F)c(F)cc1Cl 3293178 DMWPVHIEKNTMFX-UHFFFAOYSA-N 346.558 4.633 0 40 EJAB O=C(NCc1ccccc1Cl)C1(c2cccc(F)c2)CCCC1 3342319 SNOJCONHKQURNG-UHFFFAOYSA-N 331.818 4.607 0 40 EJAB S=C(NCCC1=CCCCC1)Nc1ccc(Br)cc1 4065272 BSHUKBKUYXCMHK-UHFFFAOYSA-N 339.302 4.626 0 40 EJAB CCCOc1ccc(C(=O)Nc2ccc(C)cc2C)cc1OCC 5558592 VPEQYDFSJQFODB-UHFFFAOYSA-N 327.424 4.743 0 40 EJAB CC(=O)c1c(C)nc2n(Cc3ccc(Cl)cc3)c3ccccc3n12 5634694 FRRXOWZUAUXBOM-UHFFFAOYSA-N 337.810 4.502 0 40 EJAB Cc1nc(NC(=O)C2c3ccccc3Oc3ccccc32)sc1C 6254991 MALULYIDGNXSNH-UHFFFAOYSA-N 336.416 4.636 0 40 EJAB O=C(N[C@H]1CCCc2ccccc21)c1ccc(COc2ccccc2)o1 6553696 HAWFVXJMFXWLSK-FQEVSTJZSA-N 347.414 4.666 0 40 EJAB Cc1cccc(Oc2ccc(Cl)cc2NC(=O)[C@@H]2CCCO2)c1 8040007 MHLCWROIGNHZLO-KRWDZBQOSA-N 331.799 4.558 0 40 EJAB CCc1cccc(CC)c1NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1 8041542 ALGHPWSVZBTWCL-MRXNPFEDSA-N 325.452 4.834 0 40 EJAB O=C1CCCN1c1ccc(-c2csc(-c3cccc(F)c3)n2)cc1 8296702 YAZIAXDCNSMMGB-UHFFFAOYSA-N 338.407 4.743 0 40 EJAB S=C(NCc1ccccc1)c1cccc(OCc2ccccc2)c1 9188088 DYCVQJUGPDJDKB-UHFFFAOYSA-N 333.456 4.731 0 40 EJAB Cc1nc(-c2ccc(CNC(=O)c3ccc(C)c(C)c3)cc2)cs1 12614526 ZRDBFNOVIFMCEG-UHFFFAOYSA-N 336.460 4.665 0 40 EJAB C[C@@H](N[C@@H](c1ccccc1)C1CC1)C(=O)Nc1ccc(F)c(Cl)c1 12676788 YOIFKBVZIUEIIB-XIKOKIGWSA-N 346.833 4.547 0 40 EJAB CCOc1ccccc1NC(=S)N[C@@H](C)c1ccc(C)cc1C 13931428 WYZHISXYOCSAGQ-HNNXBMFYSA-N 328.481 4.750 0 40 EJAB COc1ccc2cc(/C=C/C(=O)N[C@H](C)c3cccs3)ccc2c1 14938219 IGRQZYZRTFOHSI-OAUONFCTSA-N 337.444 4.801 0 40 EJAB O=C(Nc1cccnc1)c1cc(-c2ccc(F)cc2)nc2ccccc12 15436289 QFTNVWFALQJNBY-UHFFFAOYSA-N 343.361 4.688 0 40 EJAB CCCCn1nc(NC(=O)C(C)(C)C)c2cc3cc(C)ccc3nc21 17016833 JLIKCODZTMIZPP-UHFFFAOYSA-N 338.455 4.678 0 40 EJAB CCN(C(=O)c1ccc(Cl)cc1F)C12CC3CC(CC(C3)C1)C2 21588614 GTUYIILPQOVLAT-UHFFFAOYSA-N 335.850 4.910 0 40 EJAB O=C(Nc1ccccn1)c1cc(-c2ccc(F)cc2)nc2ccccc12 21893808 AOTGYTVKDLRBIN-UHFFFAOYSA-N 343.361 4.688 0 40 EJAB COc1ccc2cc(CN3CCc4sccc4C3)c(Cl)nc2c1 25309976 NRKSTMJPFCBQIC-UHFFFAOYSA-N 344.867 4.517 0 40 EJAB Cc1nc2ccc(Cl)cc2cc1C(=O)N[C@@H](C)c1ccccc1F 25957937 NCSQJWOSABOSLH-NSHDSACASA-N 342.801 4.827 0 40 EJAB CCCOc1ccc(C(=O)Nc2cc(-c3ccc(F)cc3)no2)cc1 27993952 YCGRUMYYPIMDIL-UHFFFAOYSA-N 340.354 4.522 0 40 EJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCSC(C)(C)C 30751291 GYBJCVKDURJGCQ-CQSZACIVSA-N 345.961 4.859 0 40 EJAB O=C(Nc1cccc(Cl)c1)c1cc(-c2ccc(Cl)cc2)[nH]n1 40478269 WGDYFJZVLXNREC-UHFFFAOYSA-N 332.190 4.636 0 40 EJAB CSc1ccccc1NC(=O)CCN1CCC[C@@H]1c1ccsc1 48265090 BBZBWIFLVTWNSB-MRXNPFEDSA-N 346.521 4.636 0 40 EJAB C[C@@H](C(=O)Nc1ccccc1Cl)N1CCC[C@@H]1c1ccsc1 52803624 BBCTWGHZQXJGKP-BLLLJJGKSA-N 334.872 4.566 0 40 EJAB Cc1csc(=O)n1-c1nc(-c2ccccc2)oc1-c1ccccc1 71195109 GJKBUMUEOZNTCD-UHFFFAOYSA-N 334.400 4.529 0 40 EJAB CC1=Nc2c(c(O)nn2C2CCCCCC2)[C@@H](c2cccnc2)S1 71284668 SHVVHVHXHLTRLO-MRXNPFEDSA-N 342.468 4.765 0 40 EJAB CCSc1ncccc1[C@H]1CCCN1C(=O)OCc1ccccc1 72217177 VJVRAXOAIBIXFZ-QGZVFWFLSA-N 342.464 4.667 0 40 EJAB CCCCN(CC)C(=O)c1cc2c(c3ccccc3n2C)n1C(C)C 96037273 OOEYEUNCLSGDIU-UHFFFAOYSA-N 339.483 4.976 0 40 EJAB C[C@@H](NC(=O)C1c2ccccc2Oc2ccccc21)[C@H]1C[C@@H]2CC[C@@H]1C2 100861094 NWULNUHXJNDWKR-YKTARERQSA-N 347.458 4.865 0 40 EJAB CC(C)[C@H]1C[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1=O 118934564 HSPBAJZIILLPKZ-PSVXMLEBSA-N 330.512 4.761 0 40 EJAB CCOc1ccc([C@@H](C)NC(=O)/C=C/c2ccc(Cl)cc2)cc1 216307334 YFNZPYSLHRRNPH-YGLIYXGISA-N 329.827 4.629 0 40 EJAB Cc1cc(C)c(C)c(O[C@@H](Cc2ccc(C)c(Cl)c2)C(=O)O)c1 225080548 QNGIZYYYXYHRGV-SFHVURJKSA-N 332.827 4.648 0 40 EJAB CCSc1ccccc1C(=O)NCc1cc(CC)ccc1CC 225116034 OOCIDPQLAOGXQY-UHFFFAOYSA-N 327.493 4.853 0 40 EJAB COC(C)(C)CCOc1ccc(NC(=O)C(C)(C)C)cc1Cl 225593553 KQADBBBYSNNSJY-UHFFFAOYSA-N 327.852 4.519 0 40 EJAB Cc1cc(N)c(NC(=O)c2cc(Cl)ccc2Cl)cc1Cl 226347428 HMXNZCZSNSHSGT-UHFFFAOYSA-N 329.614 4.790 0 40 EJAB O=C(Cc1ccc(F)cc1)NCCc1ccc(-c2ccsc2)s1 575413983 BYZYXOBJKVBAFC-UHFFFAOYSA-N 345.464 4.517 0 40 EJAB Cc1cc(Br)cc(C)c1NC(=O)c1ccccc1Cl 36009 OFDSDOJKMXTRSI-UHFFFAOYSA-N 338.632 4.972 0 40 EJAB CCOc1ccc(NC(=O)c2c(C)c(CC)nc3ccccc23)cc1 411489 ZWNBLNKMYKAOFR-UHFFFAOYSA-N 334.419 4.757 0 40 EJAB CC(C)c1ccc(Nc2ncnc3c2cnn3-c2ccccc2)cc1 426458 VRBQNFIUZHMYOK-UHFFFAOYSA-N 329.407 4.683 0 40 EJAB C[C@@H](NC(=O)c1cc(-c2ccco2)nc2ccccc12)c1ccccc1 483604 MHVRQPGAUSOMIA-OAHLLOKOSA-N 342.398 4.986 0 40 EJAB Cc1ccc(C)c(C(O)(c2cc(C)ccc2C)C2(O)CCCCC2)c1 1584482 DKTSJAGMNGCECB-UHFFFAOYSA-N 338.491 4.851 0 40 EJAB CC(C)[C@H]1C[C@](CCNCc2ccco2)(c2ccccc2)CCO1 1774067 UMCUDUUEJCLEGK-NHCUHLMSSA-N 327.468 4.532 0 40 EJAB biogenic Cc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3ccccc3)o2)cc1C 2618535 JMKLLYCASPYXHL-CQSZACIVSA-N 338.432 4.717 0 40 EJAB CCCn1c([C@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)nc2ccccc21 4033522 OQSGQXPICUFVAD-KRWDZBQOSA-N 347.462 4.584 0 40 EJAB CSc1nc(C)c(CCC(=O)Nc2cccc(C(C)C)c2)c(C)n1 8096273 NBKAGNBXQXPNMW-UHFFFAOYSA-N 343.496 4.510 0 40 EJAB O=C(c1ccc(Cl)s1)N1CCC[C@@H]1c1nc2ccccc2s1 9337746 IDVLWUHANYPYSZ-LLVKDONJSA-N 348.880 4.989 0 40 EJAB O=C(Nc1ccccc1F)N1CCC(CCc2ccccc2)CC1 12884962 OPFSFKHJTLLONS-UHFFFAOYSA-N 326.415 4.702 0 40 EJAB CC(C)c1ccc(NC(=S)NCCCOC2CCCCC2)cc1 18168151 WLGYDRCSAXFLQI-UHFFFAOYSA-N 334.529 4.836 0 40 EJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NC(C(C)C)C(C)C 20453251 FWNDLEJKXLGOEX-IBGZPJMESA-N 327.468 4.794 0 40 EJAB CC[C@@H](NC(=O)[C@H](C)SCc1ccccc1)c1ccc(OC)cc1 20484404 PZLZYIPZPHJEDY-HNAYVOBHSA-N 343.492 4.584 0 40 EJAB CCN(Cc1cccs1)C(=O)c1sc(-c2ccccc2)nc1C 32740910 VHOFTHASHMFFAJ-UHFFFAOYSA-N 342.489 4.842 0 40 EJAB COc1ccc(-c2nc(CSc3nncc4ccccc34)co2)cc1 32754635 NACWMSXUVKXKGG-UHFFFAOYSA-N 349.415 4.586 0 40 EJAB COc1ccc(-c2nc3cnccn3c2Nc2ccc(C)cc2C)cc1 35622706 CDLSKOXHKPDCNU-UHFFFAOYSA-N 344.418 4.765 0 40 EJAB CCc1ccc(Nc2cc(C(=O)OC)nc3ccc(Cl)cc23)cc1 38486596 PLYMOQOHFINZMK-UHFFFAOYSA-N 340.810 4.981 0 40 EJAB Cc1cccc2cc(C(=O)Nc3ccccc3Br)oc12 41306756 JLTSZGSITZWBLE-UHFFFAOYSA-N 330.181 4.756 0 40 EJAB Cc1ccc(N(Cc2c(C)noc2C)Cc2c(C)noc2C)cc1C 47551170 OJPJMEYNJOTPDO-UHFFFAOYSA-N 339.439 4.720 0 40 EJAB Cc1ccc2c(CN3CCC[C@@H]3c3ccccc3)cc(=O)oc2c1C 57463285 BBSGRBSENAGVLN-HXUWFJFHSA-N 333.431 4.747 0 40 EJAB Cc1cc(C)n(CC(=O)Nc2ccc(-c3cc4ccccc4o3)cc2)n1 57657097 YDALJVUWZNANTC-UHFFFAOYSA-N 345.402 4.552 0 40 EJAB O=C(Nc1ccc(Cl)cc1)N(Cc1ccccc1)C[C@H]1CCCO1 57996958 WKFUWAFNTLESGF-GOSISDBHSA-N 344.842 4.553 0 40 EJAB CC1CCC(NC(=O)Nc2ccc(-c3nc(C(C)C)no3)cc2)CC1 58323215 PNJOISNTIHAQQB-UHFFFAOYSA-N 342.443 4.560 0 40 EJAB CN(Cc1ccc(C(=O)N2CCCC2)cc1)c1ccc2ccccc2c1 58392525 AKBXHJIFCUUVIV-UHFFFAOYSA-N 344.458 4.712 0 40 EJAB Cc1ccc([C@H](C)NC(=O)c2ccccc2Br)cc1C 59351088 DKLCLQSROSBPKJ-ZDUSSCGKSA-N 332.241 4.557 0 40 EJAB O=C(NCc1cccc(Cl)c1)c1cc(-c2cccc(Cl)c2)no1 66089129 XFFVOMOBJYHVIL-UHFFFAOYSA-N 347.201 4.578 0 40 EJAB O=c1oc2cc(O)ccc2c(-c2ccccc2)c1-c1ccc(O)cc1 71404996 MLAIPUZEKYJFIL-UHFFFAOYSA-N 330.339 4.538 0 40 EJAB CC(C)(C)OC(=O)NCc1cc(Cl)ccc1OCc1ccccc1 72209106 YZWCXMFPPKPGFL-UHFFFAOYSA-N 347.842 4.944 0 40 EJAB C[C@@H](c1ccccc1F)[S@](=O)Cc1csc(C2CCCC2)n1 84660692 WYDJNWIHZFAWMA-YTEVENLXSA-N 337.485 4.950 0 40 EJAB Cc1csc(C2(NCc3cnc(C4CCC4)s3)CCCC2)n1 89705461 DOZPGBPDXPXDQW-UHFFFAOYSA-N 333.526 4.735 0 40 EJAB Cc1nc(S[C@H](C(=O)NC2CCCCCCC2)C(C)C)oc1C 95349964 LPQNQLCSQDVFOV-INIZCTEOSA-N 338.517 4.637 0 40 EJAB COC(=O)N(C)c1ccc(N[C@@H](C)c2ccc(F)c(Cl)c2)cc1 95958786 NNKKPCZBVGFGOG-NSHDSACASA-N 336.794 4.855 0 40 EJAB CCSc1ccccc1C(=O)N1CCS[C@@H](c2ccco2)CC1 207009032 SRKQTLKQHXCJDY-QGZVFWFLSA-N 347.505 4.712 0 40 EJAB Fc1ccccc1CN1CC=C(c2nc3cc(Cl)ccc3o2)CC1 216784031 XPIGUALNYXTOPQ-UHFFFAOYSA-N 342.801 4.910 0 40 EJAB CC(C)C(NC(=O)c1cccc(OCc2ccccc2)c1)C(C)C 218976078 HNVQQPFGKDUWJT-UHFFFAOYSA-N 325.452 4.676 0 40 EJAB COc1cc(C)c(C(=O)N[C@@H]2CCCc3ccccc32)cc1C(C)C 225662890 SKKKUASFOFXKDT-HXUWFJFHSA-N 337.463 4.934 0 40 EJAB O=C(NCCc1ccc(-c2cccs2)s1)NCc1ccccc1 1889291341 OLBPWSMEZMHSKT-UHFFFAOYSA-N 342.489 4.519 0 40 EJAB CC(=O)Nc1nc(C)c(-c2csc(Nc3cccc(C)c3)n2)s1 4116990 RPXNPBQNHWJSPC-UHFFFAOYSA-N 344.465 4.585 0 40 EJAB CC[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccccc2F)N3)C1 4545380 GHPOYLXPLVUNHT-QLJPJBMISA-N 330.428 4.831 0 40 EJAB Cc1cc(Cl)ccc1OC(F)(F)C(=O)Nc1ccc(F)cc1F 5535319 FBWFLBFDCDNWDT-UHFFFAOYSA-N 347.695 4.537 0 40 EJAB COc1cccc(OC(=O)c2ccc(COc3ccc(C)cc3)cc2)c1 6479765 YGYNNGMENKUIBS-UHFFFAOYSA-N 348.398 4.802 0 40 EJAB CCOc1ccc(-n2cc(-c3ccccc3)c3c(NC)ncnc32)cc1 6870511 PKDQUQHMGNGXGO-UHFFFAOYSA-N 344.418 4.528 0 40 EJAB CCc1ccccc1NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 7472557 IQZPYCPJJKIXGH-OAHLLOKOSA-N 325.452 4.953 0 40 EJAB S=c1[nH]nc(-c2ccccc2)n1NCc1ccc(-c2ccccc2)o1 7602128 LTEBQNZQQBNFNQ-UHFFFAOYSA-N 348.431 4.611 0 40 EJAB COc1ccc(C2(NCc3c(C)nc4c(C)cccn34)CCCC2)cc1 12147592 HHZDRWGTXKATQO-UHFFFAOYSA-N 349.478 4.519 0 40 EJAB CCc1cccc(C)c1NC(=O)c1cc(C2CC2)nc2onc(C)c12 12799321 KNMDMZVEWRYDCU-UHFFFAOYSA-N 335.407 4.532 0 40 EJAB Cc1ccc2c(c1)S[C@H](C(=O)Nc1cccc(Cl)c1Cl)C2 12862860 IVLRLKMUTQMGSO-AWEZNQCLSA-N 338.259 4.957 0 40 EJAB O=C(c1cccc(OCc2ccccc2)c1)N(Cc1ccco1)C1CC1 12988874 IUTSDHOAWFXAIG-UHFFFAOYSA-N 347.414 4.663 0 40 EJAB O=C(Nc1ccc(F)cc1)C1[C@H]2CC[C@@H]3[C@@H](CC[C@@H]12)C3(Cl)Cl 13144842 NLTXPOMUPHQBKJ-PFNKYVCDSA-N 342.241 4.620 0 40 EJAB Cc1cc(C)c2nc(NC(=O)COc3cccc(C)c3C)sc2c1 14258030 WGEHINMDVDROAU-UHFFFAOYSA-N 340.448 4.547 0 40 EJAB COCc1cccc(C(=O)Nc2cccc(-c3csc(C)n3)c2)c1 14940519 URNBKAYXLYQSJJ-UHFFFAOYSA-N 338.432 4.517 0 40 EJAB COc1cc2c(cc1OC)[C@@H]1CCCC[C@H]1O[C@H]2c1cccc(F)c1 15024270 XEZFXTLWFUBFTN-KLHJMIIUSA-N 342.410 4.989 0 40 EJAB Cc1cc(C)n(C(=O)c2scc(-c3ccccc3)c2-n2cccc2)n1 17011501 CHEBGFQWPIQSJD-UHFFFAOYSA-N 347.443 4.708 0 40 EJAB O=C(NC[C@H]1CC2c3ccccc3C1c1ccccc12)[C@@H]1CC=CCC1 23055195 LSNFVEYRUDPOIN-TWVWUCKLSA-N 343.470 4.756 0 40 EJAB Cc1ccc(C(=O)COc2ccc(Cl)c3cccnc23)cc1C 28047709 VZJWUJWPZCWWAG-UHFFFAOYSA-N 325.795 4.767 0 40 EJAB Cc1ccc(-c2cc(C(=O)Nc3ccon3)c3ccccc3n2)s1 28227915 VJNCTIPPWSZOFS-UHFFFAOYSA-N 335.388 4.512 0 40 EJAB CC[C@@](C)(CCN(C(C)=O)[C@H]1CCOC(C)(C)C1)c1ccccc1 32069931 ZSQRPKOQHBLCNT-FPOVZHCZSA-N 331.500 4.551 0 40 EJAB CC1(C)C[C@](CCNCc2ccco2)(c2ccc(Cl)cc2)CCO1 32072993 QOIAKYBHRQRYHO-HXUWFJFHSA-N 347.886 4.940 0 40 EJAB CC1(C)C[C@H](NCC[C@](C)(c2ccccc2)c2cccs2)CCO1 32093807 PHVYRZUFYKXMPO-WIYYLYMNSA-N 343.536 4.991 0 40 EJAB Cc1cc2oc(C(=O)N3CCOc4ccccc43)c(C)c2cc1Cl 32624481 ZWTJWHLWNCMEPS-UHFFFAOYSA-N 341.794 4.742 0 40 EJAB O=C(NCC(F)(F)F)c1ccccc1-c1ccc(C(F)(F)F)cc1 32990972 ODILXYGUTGRMIR-UHFFFAOYSA-N 347.258 4.665 0 40 EJAB Cc1ccc([C@H](C)NC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)cc1 44848518 NEYDLHQASFYLTO-ROUUACIJSA-N 325.452 4.565 0 40 EJAB CCc1ccc(-c2nc3cc(OC)cc(Br)c3o2)cc1 45920234 XDMXMCOGXASQFP-UHFFFAOYSA-N 332.197 4.828 0 40 EJAB CCOc1ccc(-c2nc(N)cc(Nc3ccc(Cl)cc3)n2)cc1 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Fc1ccc2c(Cl)nc(-c3ccc(Br)cc3)nc2c1 2527442 RBBUGKUKHHPJHX-UHFFFAOYSA-N 337.579 4.852 0 40 EJAB C[C@H]1CCC[C@H](C)N1C(=O)COc1cccc(Oc2ccccc2)c1 3165449 STBJUXCACVGHIK-IRXDYDNUSA-N 339.435 4.647 0 40 EJAB CC(=O)Nc1sc2c(c1CN(C)Cc1ccc(C)cc1)CCCC2 3344788 OJBGZIWMZFFPLH-UHFFFAOYSA-N 342.508 4.526 0 40 EJAB CC(=O)Nc1ccc(-c2csc(N[C@@H](C)c3ccccc3)n2)cc1 3440716 PYUSLOCISDOIAI-ZDUSSCGKSA-N 337.448 4.942 0 40 EJAB Cc1ccc(-c2cnc(NCc3ccccc3Cl)n2C)cc1C 4678798 NXJPYKGVIQYCCV-UHFFFAOYSA-N 325.843 4.969 0 40 EJAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)C(=O)CC[C@H]32)C1 4731271 FDCINQSOYQUNKB-PLSOZZDPSA-N 332.484 4.530 0 40 EJAB biogenic COC(=O)c1ccc(C)c(NC(=O)c2ccc(-c3ccccc3)cc2)c1 5610275 GDCSQMLYOXEZSD-UHFFFAOYSA-N 345.398 4.701 0 40 EJAB COc1cc(C(=O)Nc2ccc(C)cc2Cl)ccc1OC(F)F 5637038 KBYWQSUBGHRUCB-UHFFFAOYSA-N 341.741 4.511 0 40 EJAB CC(=O)c1cccc(NC(=O)[C@H](C)Sc2c(C)cc(C)cc2C)c1 5787041 UWWRMQRUEFSBPA-INIZCTEOSA-N 341.476 4.934 0 40 EJAB COc1ccc(Cl)cc1NC(=O)CSC/C=C/c1ccccc1 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Cc1cc(NC(=O)C2CC2)sc1C(=O)Nc1ccc(C(C)C)cc1 14070878 OEWLDUVYWXWTNP-UHFFFAOYSA-N 342.464 4.781 0 40 EJAB CC(C)(C)c1csc(NC(=O)c2cc(Cl)ccc2Cl)n1 14793894 ZESSWPLNLUMZFU-UHFFFAOYSA-N 329.252 5.000 0 40 EJAB CN(CCOc1ccccc1Cl)C(=O)c1cc2ccccc2s1 16966785 BSWFONBXGUDXHJ-UHFFFAOYSA-N 345.851 4.706 0 40 EJAB C[C@@H](NC(=O)c1ccc(Br)o1)c1cccc2ccccc12 17840859 LHVFYSXTEBUCHR-LLVKDONJSA-N 344.208 4.686 0 40 EJAB O=C(NCCCSc1ccccc1)C12CC3CC(CC(C3)C1)C2 18082969 BTBARRUNYPKZOL-UHFFFAOYSA-N 329.509 4.501 0 40 EJAB CCc1ccc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1 20042338 ISWUHTNGCWEPPX-UHFFFAOYSA-N 336.479 4.733 0 40 EJAB CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1 22525417 YHVFHSJKVQUHAZ-NSHDSACASA-N 338.234 4.962 0 40 EJAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(F)c(F)c1 22588821 RABQAYJPBHSEBK-UHFFFAOYSA-N 339.341 4.796 0 40 EJAB Cc1c(C(=O)N(Cc2ccccc2)c2ccccn2)oc2ccccc12 27742824 WRBZAYUNQVHZNA-UHFFFAOYSA-N 342.398 4.983 0 40 EJAB CC[C@H](NC(=O)CCc1ccccc1Cl)c1ccc(OC)cc1 29701909 IJMKSLBPKXAABI-SFHVURJKSA-N 331.843 4.549 0 40 EJAB C[C@H](NC(=O)c1ccc(C(=O)c2ccccc2)cc1)c1ccccc1F 32983380 CRHIITCFFVEFML-HNNXBMFYSA-N 347.389 4.548 0 40 EJAB Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)c1 40913170 YUYCWSVMAPYEJU-OAHLLOKOSA-N 331.843 4.980 0 40 EJAB C[C@H]1CCCCN1C(=O)c1cccc(-c2nc3ccccc3s2)c1 41127507 IULIFBVBMXLKGP-AWEZNQCLSA-N 336.460 4.978 0 40 EJAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 44904157 PGPNPAVZXSEUMB-OAHLLOKOSA-N 342.197 4.929 0 40 EJAB CC(C)c1ccc2oc(-c3ccc(Cl)c(-n4cnnc4)c3)nc2c1 45887809 ARZVSAZRDAPAAX-UHFFFAOYSA-N 338.798 4.852 0 40 EJAB COc1ccc2[nH]cc([C@@H]3CCN(Cc4ccccc4Cl)C3)c2c1 57744977 HCOHGEBGCABSNC-CQSZACIVSA-N 340.854 4.819 0 40 EJAB CCc1ccc(O[C@@H](CC)C(=O)N[C@@H](C)c2ccc(C)cc2C)cc1 59351661 RVWPPEIJWUODNX-UWJYYQICSA-N 339.479 4.901 0 40 EJAB Cc1ccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(C)cc2C)c(C)c1 59351692 SEXBNJOFSPGIHL-MSOLQXFVSA-N 325.452 4.565 0 40 EJAB CCc1ccc(O[C@H](CC)C(=O)N[C@H](CC)c2ccc(C)cc2)cc1 59351813 VGVZRPRSCLSJEW-NHCUHLMSSA-N 339.479 4.982 0 40 EJAB O=Cc1c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)noc1Cl 71976721 YIMUONSFXJXJHD-UHFFFAOYSA-N 343.610 4.845 0 40 EJAB COc1cccc(NC(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)c1 80344192 FIUJWLSCJVWIRW-HZPDHXFCSA-N 336.218 4.744 0 40 EJAB C[C@@H](NCc1coc(-c2cccs2)n1)c1cnc2ccsc2c1 95420930 CAEGJCPLOIBMCG-LLVKDONJSA-N 341.461 4.864 0 40 EJAB CCC(=O)c1cc(C(=O)N[C@H](c2ccc(C)cc2)C2CC2)ccc1F 95441015 PKIHOWNLWWCPEW-HXUWFJFHSA-N 339.410 4.608 0 40 EJAB C[C@@H](c1ccc(F)c(F)c1)N(C)Cc1csc(-c2ccoc2)n1 108357717 HRKGNUODBVSJGH-NSHDSACASA-N 334.391 4.874 0 40 EJAB CC[C@@H](NC(=O)CSCc1cccc(C)c1)c1ccc(C)cc1 222743838 KVHMMEREKGCLOO-LJQANCHMSA-N 327.493 4.804 0 40 EJAB CC[C@H](Oc1cccc(C)c1)C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 223219121 RQSBEHNZEHYRNO-KKSFZXQISA-N 337.463 4.519 0 40 EJAB Cc1cccc(CCCNC(=O)COc2cc(C)ccc2C(C)C)c1 225050705 GGBBXLKJQNUQQX-UHFFFAOYSA-N 339.479 4.555 0 40 EJAB CC[C@@H](NC(=O)c1ccc(Cl)cc1F)c1ccc(OC)c(C)c1 225825695 QDAZTZNFSOFLDD-MRXNPFEDSA-N 335.806 4.677 0 40 EJAB O=C(NCc1ccc(-c2ccsc2)o1)c1nc2ccccc2s1 575611049 UAICPTDAXLARQV-UHFFFAOYSA-N 340.429 4.548 0 40 EJAB O=C(NCc1ccc(-c2ccsc2)o1)c1ccc2ncsc2c1 575611825 XVSSLRNVUXGROR-UHFFFAOYSA-N 340.429 4.548 0 40 EJAB O=C(NCc1cc(-c2ccoc2)cs1)c1c(F)cccc1Cl 1775969516 AQSPZSXKRJRUFV-UHFFFAOYSA-N 335.787 4.731 0 40 EJAB CC(C)OC(=O)c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1 117725 JCBSFRFMPBLGHU-UHFFFAOYSA-N 332.787 4.549 0 40 EJAB CCc1cccc(C)c1NC(=O)COc1cc(Cl)ccc1Cl 130417 AZDZQQZZBLYJBV-UHFFFAOYSA-N 338.234 4.882 0 40 EJAB Cc1ccc(-c2nnc(-c3ccncc3)n2-c2ccc(C)cc2)cc1 411320 RZZPSBYAHRCKQE-UHFFFAOYSA-N 326.403 4.613 0 40 EJAB c1ccc(Cn2c(-c3ccccc3)nc3nc4ccccc4nc32)cc1 521387 SVMXFDZDGKRPJJ-UHFFFAOYSA-N 336.398 4.695 0 40 EJAB CCc1ccc(/C=C2/N=C(c3ccc(C(F)(F)F)cc3)OC2=O)cc1 3429377 NSJUEWISLALENA-LFIBNONCSA-N 345.320 4.612 0 40 EJAB O=C(c1ccc(Br)cc1)c1ccc(Cl)c(Cl)c1 4241519 LHPSEBRBIWMBMU-UHFFFAOYSA-N 330.008 4.987 0 40 EJAB COc1cc(Cl)c(C)cc1NC(=O)C12CC3CC(CC(C3)C1)C2 4827952 FAQJJOHWOWFLHR-UHFFFAOYSA-N 333.859 4.812 0 40 EJAB CCN(CC)C(=O)c1ccc(NC(=O)c2ccc3ccccc3c2)cc1 5512648 WQDVCKSMPHTCGR-UHFFFAOYSA-N 346.430 4.574 0 40 EJAB CCCOc1c(Cl)cc(C(=O)Nc2ccccc2CC)cc1OC 6138772 MXLSSGFKDGTGPF-UHFFFAOYSA-N 347.842 4.952 0 40 EJAB C[C@@H](Sc1ccc2ccccc2c1)C(=O)N1CCc2ccccc21 6851931 WWUXYDUAVYKETG-OAHLLOKOSA-N 333.456 4.910 0 40 EJAB COC(=O)c1ccc(-c2ccc(CNC3CCCCCC3)o2)cc1 7539273 LRAMDLNHFPQMDS-UHFFFAOYSA-N 327.424 4.546 0 40 EJAB C[C@H](C(=O)Nc1ccc(Cl)cc1)N1CCC[C@@H]1c1cccs1 8320219 BGOONDJWFCOMKF-IUODEOHRSA-N 334.872 4.566 0 40 EJAB CCOc1ccc(CNC23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)cc1OC 8324677 PVCCVMIOEVEYPW-QFWMWPAFSA-N 343.511 4.933 0 40 EJAB Cc1cc(O[C@H](C)C(=O)Nc2c(F)cccc2F)cc(C)c1Cl 14397218 VMJJDVAWMGUPDQ-LLVKDONJSA-N 339.769 4.641 0 40 EJAB C[C@H](O)c1cccc(NC(=S)Nc2ccc(Cl)c(Cl)c2)c1 16576752 RDAXXZAPSGSSHR-VIFPVBQESA-N 341.263 4.856 0 40 EJAB O=C(CCc1ccc(Cl)cc1Cl)N1CCc2ccccc2C1 28263279 YWPUBFJWFBEMKN-UHFFFAOYSA-N 334.246 4.511 0 40 EJAB COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(Cl)cc2)cc1 30755144 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341.458 4.574 0 40 EJAB Cc1occc1C(=O)Nc1nc2ccc(SC(F)F)cc2s1 19678684 NKJLUTCHVDSGLH-UHFFFAOYSA-N 340.376 4.765 0 40 EJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N1CCCC(C)(C)C1 20048997 PDOPLZMMPCZGDD-GOSISDBHSA-N 325.452 4.646 0 40 EJAB CCOc1ccc([C@H](C)NC(=O)[C@@H](C)Sc2ccc(C)cc2)cc1 20490651 ZULHDHMSHASOAX-JKSUJKDBSA-N 343.492 4.752 0 40 EJAB O=C(Nc1ccccc1Cl)c1cc(-c2cccc(Cl)c2)[nH]n1 24960928 JILFURHQHDYJII-UHFFFAOYSA-N 332.190 4.636 0 40 EJAB CC(C)C(=O)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12 25349593 PMKZRWMLBKBKJR-MRXNPFEDSA-N 340.854 4.725 0 40 EJAB CSc1ccc(C)c(C(=O)NCc2ccccc2COC(C)C)c1 30367997 YJIARRKUMUTTIT-UHFFFAOYSA-N 343.492 4.572 0 40 EJAB CCOc1ccc(CCC(=O)Nc2ccc(C)c(C)c2)cc1OCC 30754392 LRBJVAJFONURPW-UHFFFAOYSA-N 341.451 4.672 0 40 EJAB Cc1ccc2nc(CN(C)Cc3cccc(Cl)c3Cl)cn2c1 32751408 IURKYQQNLLLUMU-UHFFFAOYSA-N 334.250 4.582 0 40 EJAB CC[C@H](NC(=O)[C@@H](C)SCc1ccccc1)c1ccc(C)cc1 38755446 WHAFVUKYCVORCJ-APWZRJJASA-N 327.493 4.884 0 40 EJAB CC[C@@H](C)c1ccc(OCC[C@@H]2CCCNC2)c(Br)c1 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Cc1cc(C)cc(Nc2ncnc3c2cnn3-c2ccc(C)cc2C)c1 426393 XWRCBWCKSSXHEG-UHFFFAOYSA-N 343.434 4.793 0 40 EJAB CC(C)(C)c1ccc(OCCNC(=O)c2cccc3ccccc23)cc1 2190412 VRPSYJSPZKXYAG-UHFFFAOYSA-N 347.458 4.946 0 40 EJAB CCN(CC)c1ccc(NC(=O)c2csc3c2CCCC3)cc1 2706984 HJLWDAZFASDAHJ-UHFFFAOYSA-N 328.481 4.725 0 40 EJAB COc1ccc(-c2nnc(SCc3cc(C)cc(C)c3)o2)cc1 3459185 VGQMPOWAAUIHET-UHFFFAOYSA-N 326.421 4.654 0 40 EJAB CSc1ccc(-c2nc3[nH]cnn3c2Nc2c(C)cccc2C)cc1 3910004 ZADHZSXHRDXREL-UHFFFAOYSA-N 349.463 4.807 0 40 EJAB Fc1cccc(Cl)c1CSc1ccc(-c2ccncc2)nn1 4392134 QGUALCGJXNGCIA-UHFFFAOYSA-N 331.803 4.623 0 40 EJAB CC(C)(C)c1ccc(CNC(=O)/C=C/c2cccc(Cl)c2)cc1 4602311 BBNAFMFSNKWBLE-FMIVXFBMSA-N 327.855 4.967 0 40 EJAB CCOc1ccc(-c2coc3cc(C)c(OCC)c(C)c3c2=O)cc1 4775354 HIEBZJIRSCFDNU-UHFFFAOYSA-N 338.403 4.874 0 40 EJAB Cc1cc(O)c(NC(=O)C(c2ccccc2)c2ccccc2)cc1C 5679202 HZMZQZPIPDKMMY-UHFFFAOYSA-N 331.415 4.780 0 40 EJAB CCCCN(CCCC)C[C@@H](O)c1c(OC)ccc2ccccc12 5973430 UTEIXKKLYFGUNY-LJQANCHMSA-N 329.484 4.784 0 40 EJAB COc1ccc2oc(C(=O)N(C)Cc3ccccc3Cl)c(C)c2c1 6587988 KUVFJZLZOLSJRP-UHFFFAOYSA-N 343.810 4.675 0 40 EJAB O=C(NCc1ccccc1)c1ccccc1SCc1ccccc1 7684677 ZSOZKIAIXAUUGU-UHFFFAOYSA-N 333.456 4.909 0 40 EJAB Cc1c(C(=O)N(CC(F)(F)F)[C@@H](C)C2CC2)oc2ccc(F)cc12 7734627 RPOSGAFTQUKFQD-JTQLQIEISA-N 343.320 4.683 0 40 EJAB Cc1csc(N(C(=O)Cc2ccc3c(c2)CCC3)c2ccccc2)n1 7781042 VIMJFPOKPALAJY-UHFFFAOYSA-N 348.471 4.848 0 40 EJAB O=C1c2ccccc2N[C@H](c2ccc(Cl)cc2Cl)N1C1CC1 7885961 AHAIVEIJOLTJOM-INIZCTEOSA-N 333.218 4.722 0 40 EJAB CCOc1cc(CNC)ccc1OCc1ccc(Cl)cc1Cl 8254562 VPNCUZBFRBIGFG-UHFFFAOYSA-N 340.250 4.691 0 40 EJAB Clc1ccc(Nc2nnc(-c3cccc(Br)c3)[nH]2)cc1 8903521 TZIDEWLKPAJZCY-UHFFFAOYSA-N 349.619 4.631 0 40 EJAB O=C(c1ccc(F)cc1F)N1CCC[C@@H]1c1nc2ccccc2s1 9996097 JHRRRYLKZGLQKE-OAHLLOKOSA-N 344.386 4.552 0 40 EJAB O=C(CCc1ccco1)N1CCCC[C@@H]1c1nc2ccccc2s1 12601398 CYJPMBSAPHBZKZ-MRXNPFEDSA-N 340.448 4.576 0 40 EJAB Cc1cc(OCCCC(=O)N[C@H](C)c2cccs2)ccc1Cl 12804831 FMMUUVSLOHOUQR-CYBMUJFWSA-N 337.872 4.746 0 40 EJAB COc1ccccc1-c1noc(-c2cc3c(s2)CCCCC3)n1 12856592 UWALQKAVHZIWHC-UHFFFAOYSA-N 326.421 4.743 0 40 EJAB C[C@H](Oc1cccc2ccccc12)C(=O)NC12CC3CC(CC(C3)C1)C2 13709420 HGDPJTUHNJWRBU-SCUMNGBJSA-N 349.474 4.692 0 40 EJAB O=C(CSCc1cccc(Cl)c1)NCc1ccccc1Cl 15583635 QVZMJQLINQWWRE-UHFFFAOYSA-N 340.275 4.543 0 40 EJAB C[C@@H](NC(=O)CCC(=O)c1ccc(F)cc1)c1cccc2ccccc12 15741602 LSMXXQLNSQINNK-OAHLLOKOSA-N 349.405 4.819 0 40 EJAB CCCCCc1nnc(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)s1 26557264 MTCDYOCURLLDGB-UHFFFAOYSA-N 342.468 4.621 0 40 EJAB C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)[C@H]1CCCc2ccccc21 40058973 ROTNWUTUUCIARW-DYVFJYSZSA-N 329.390 4.604 0 40 EJAB Cc1cc(F)c2c(c1)CCCN2C(=O)c1cc2cc(C)ccc2nc1C 58144582 OWMGRIGBOSUKEE-UHFFFAOYSA-N 348.421 4.892 0 40 EJAB Cc1cc([C@H](O)c2ccccc2)cnc1N1CCCc2ccccc21 72222876 LHBXHPNNFYPBFC-OAQYLSRUSA-N 330.431 4.556 0 40 EJAB Fc1ccc(Cc2cccc([C@@H]3CCCN3Cc3cccnc3)n2)cc1 72357679 ZGJIPBREWVECMP-QFIPXVFZSA-N 347.437 4.544 0 40 EJAB Cc1csc(-c2cccc(C(=O)Nc3ccc(F)c(F)c3F)c2)n1 96471487 VKPHXGFABDJASF-UHFFFAOYSA-N 348.349 4.788 0 40 EJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](C)c1ccccc1 216119089 JYCAEWDUHQOXFY-IERDGZPVSA-N 333.431 4.875 0 40 EJAB CCSc1ccccc1NC(=O)COc1ccc2c(c1)CCCC2 222899979 OLZWBDQNAFIOPU-UHFFFAOYSA-N 341.476 4.695 0 40 EJAB Cc1cccc(NC(=S)N[C@H]2CC(C)(C)Oc3ccccc32)c1 225574824 LMOVKWHCFGKPRD-INIZCTEOSA-N 326.465 4.584 0 40 EJAB Cc1ccc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccccc32)c(C)c1 225574941 KQMVROHIFGHYAK-QGZVFWFLSA-N 340.492 4.892 0 40 EJAB COc1ccc(CCC(=O)N2CCCC[C@@H]2CSC(C)(C)C)cc1 390830672 MPHGMXAWUHEEDT-QGZVFWFLSA-N 349.540 4.541 0 40 EJAB CCn1c(-c2ccccc2)c(C)s/c1=N\C(=O)c1cccc(C)c1 408561302 HNFJHYZNONTGBK-MRCUWXFGSA-N 336.460 4.594 0 40 EJAB COc1ccc(S(=O)(=O)Nc2ccccc2C(C)C)cc1C(C)C 408679512 MZADVZQPQHMTCK-UHFFFAOYSA-N 347.480 4.743 0 40 EJAB CCCCOc1ccc(C(=S)N2CCc3ccccc3C2)cc1 409194776 MEBZEPMIZJOVBP-UHFFFAOYSA-N 325.477 4.599 0 40 EJAB CC1=C2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H]3CC[C@@]4(C)O)[C@]2(C)Cc2cnoc21 504664757 AAHNYFCTPITCHA-ZQGJBVSUSA-N 341.495 4.998 0 40 EJAB COc1ccc(-c2nnc([C@@H]3C[C@@H]3c3cccc(Cl)c3)o2)cc1 1117186507 HCRYKBIETMYOPZ-HZPDHXFCSA-N 326.783 4.670 0 40 EJAB Cc1cc(-c2c(Cl)cccc2OC(F)(F)F)cc2c1NC(=O)C2 1772572744 AYAICAKEBFTALD-UHFFFAOYSA-N 341.716 4.709 0 40 EJAB O=C(COc1ccccc1Cl)Nc1ccc(Cl)cc1Cl 132019 QKDRGDCLKCVQNR-UHFFFAOYSA-N 330.598 4.664 0 40 EJAB Cc1ccc(NCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 254959 HNLYUDGEGQJFPM-UHFFFAOYSA-N 342.748 4.718 0 40 EJAB Cc1cccc(NC(=O)c2sc3nc4ccc(C)cc4cc3c2N)c1 422144 QXXVDEFYXYSYOI-UHFFFAOYSA-N 347.443 4.901 0 40 EJAB O=C1Nc2ccccc2S/C1=C/c1ccc(OC(F)(F)F)cc1 5280257 MBSIQVLUNZYZOL-NTEUORMPSA-N 337.322 4.671 0 40 EJAB Cc1cc2oc(C(=O)Nc3cccc(Cl)c3C)cc(=O)c2cc1C 6811392 VYFJUGQEMKXWEM-UHFFFAOYSA-N 341.794 4.624 0 40 EJAB CCCCCCNCc1cccc(OC)c1OCc1ccccc1 7261079 JCRJEVJDFKBPNM-UHFFFAOYSA-N 327.468 4.944 0 40 EJAB CSCc1c(C(=O)N[C@H](C)c2cccs2)oc2ccccc12 9995979 SEIGFRMFJOCMCF-LLVKDONJSA-N 331.462 4.848 0 40 EJAB Cc1cccc(-c2cc(=O)[nH]c(SCc3ccc(Cl)cc3)n2)c1 12016207 YEAKOLGJMDJCRA-UHFFFAOYSA-N 342.851 4.691 0 40 EJAB COc1cccc([C@@H]2CC(=O)Nc3ccsc32)c1OC1CCCC1 12371657 RQRAVBLXJVZUHU-AWEZNQCLSA-N 343.448 4.552 0 40 EJAB CC(C)c1noc([C@H](C)N2CC=C(c3c[nH]c4ccccc34)CC2)n1 12900249 VSRRRSCSTJPIJN-AWEZNQCLSA-N 336.439 4.525 0 40 EJAB Cc1ccc(CCCNC(=O)CSCc2ccc(Cl)cc2)cc1 13672739 JFEIUAKWMMCIDH-UHFFFAOYSA-N 347.911 4.631 0 40 EJAB CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)O)c(Cl)c2)cc1 20137673 OCCORFOYJPGABU-UHFFFAOYSA-N 331.799 4.588 0 40 EJAB C[C@H](NC(=O)c1c(F)cccc1Cl)c1cccc(C(F)(F)F)c1 28433323 KNJCMHNBIJKTEY-VIFPVBQESA-N 345.723 4.989 0 40 EJAB CN(Cc1nc(-c2ccc(Cl)cc2)no1)[C@H]1CCc2ccccc21 29486838 FZINIYDUDKRNLP-KRWDZBQOSA-N 339.826 4.509 0 40 EJAB C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)/C=C/c1cccnc1 30316498 DFXWPTORDZQXNK-FZKGZDJFSA-N 335.234 4.621 0 40 EJAB O=C(Cc1cccc2ccccc12)N[C@@H]1CCC[C@H](C(F)(F)F)C1 32895207 BNWPFGUDAYPKHR-JKSUJKDBSA-N 335.369 4.620 0 40 EJAB Cc1ccc([C@H](C)NC(=O)c2cc(C3CC3)nc3onc(C)c23)c(C)c1 36614088 QRIFBDMIRKEIRH-ZDUSSCGKSA-N 349.434 4.516 0 40 EJAB CC[C@@H](NC(=O)[C@H](C)SCc1ccccc1)c1ccc(C)cc1 38755452 WHAFVUKYCVORCJ-QFBILLFUSA-N 327.493 4.884 0 40 EJAB COc1ccccc1[C@@H](C)NC(=O)c1ccccc1SC(C)C 49940521 ACANMPJWTKGGGQ-CQSZACIVSA-N 329.465 4.687 0 40 EJAB O=C(Nc1cccc(Br)c1)Nc1cc(F)ccc1Cl 51354354 LUPXDPUISOQGQK-UHFFFAOYSA-N 343.583 4.886 0 40 EJAB CCCCOc1ccc(/C=C2/SC(=S)N=C2O)cc1OCC 56696462 HJICRLBGEZDSIF-GXDHUFHOSA-N 337.466 4.593 0 40 EJAB Cc1ccccc1CC(=O)Nc1c(C)cccc1-c1nc(C(C)C)no1 65588808 SBOIXJOSAVTWHF-UHFFFAOYSA-N 349.434 4.658 0 40 EJAB COc1cc(Cl)cc2cc(/C=C/C(=O)Nc3ccc(F)cc3)oc12 67339924 NRRMMSQPXZNITQ-VOTSOKGWSA-N 345.757 4.886 0 40 EJAB CCCN1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C(C)C)nc1 72214859 ZTZZOACQJFUUBY-QGZVFWFLSA-N 347.503 4.778 0 40 EJAB Cc1ccccc1NC(=O)N(Cc1ccoc1)Cc1cccs1 90612228 IKJRDTZNGYBXGU-UHFFFAOYSA-N 326.421 4.884 0 40 EJAB CCO[C@H](C)c1nc(CC(=O)N(c2ccccc2C)C(C)C)cs1 96409212 VYAVKXGHWDXIMO-OAHLLOKOSA-N 346.496 4.533 0 40 EJAB CCC[C@H]1OC[C@@]2(COC(=O)c3ccccc3)[C@@H](C)C=C(C)[C@H]1[C@@H]2C 105364461 NXYZFNXQKYPHHD-QMXBJOJWSA-N 342.479 4.877 0 40 EJAB biogenic CC[C@H](NC(=O)[C@@H](C)Oc1ccc(C)cc1C)c1ccc(C)c(C)c1 219535013 YIEOOEGZMLTKQS-QUCCMNQESA-N 339.479 4.955 0 40 EJAB COc1ccc(CC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1C 222587846 VGJVCSVEVJWCBQ-MRXNPFEDSA-N 339.479 4.721 0 40 EJAB Cc1ccc(CNC(=S)Nc2ccc(Oc3ccccc3)nc2)cc1 223944944 YEQRSPBAMKUZDX-UHFFFAOYSA-N 349.459 4.669 0 40 EJAB Cc1cccc(Oc2ccc(C(=O)c3ccc4c(c3)OCCO4)cc2)c1 408617702 DMORQKGEHKTCPI-UHFFFAOYSA-N 346.382 4.790 0 40 EJAB CCn1c(SCc2nc(C)oc2C)nnc1-c1cccc(Cl)c1 521395086 IALGIVAOYFFPCC-UHFFFAOYSA-N 348.859 4.516 0 40 EJAB Cc1cc2cc(C)c(SCC(=O)N3CCC(C)CC3)nc2cc1C 416368 JDKQZIFZIFKJCY-UHFFFAOYSA-N 342.508 4.511 0 40 EJAB O=C(NC1CCCCC1)c1ccccc1COc1ccc(F)cc1F 2729796 HTBBNYBOMTZTST-UHFFFAOYSA-N 345.389 4.606 0 40 EJAB Cc1ccc(NC(=O)C2=C(c3ccccc3)SCCS2)cc1 3152624 OGHMCIFBJKHPRF-UHFFFAOYSA-N 327.474 4.782 0 40 EJAB O=C(CN1CCCc2ccccc21)Nc1ccccc1-c1ccccc1 3323638 WLEXBWUSPUCETP-UHFFFAOYSA-N 342.442 4.745 0 40 EJAB CC(C)c1ccc(Nc2c(-c3ccccc3O)nc3cnccn23)cc1 3896525 KUVJPWYFLCPYRZ-UHFFFAOYSA-N 344.418 4.969 0 40 EJAB CC(=O)N(CCCN(C)C)C[C@@H]1CC=C(CCC=C(C)C)C[C@H]1C 4025881 YFSDFXHVCMRUBE-NQIIRXRSSA-N 334.548 4.506 0 40 EJAB biogenic Cc1ccccc1C1=N/C(=C\c2ccc(Cl)cc2Cl)C(=O)O1 4696550 AVWRPZMWRFGDQS-NVNXTCNLSA-N 332.186 4.646 0 40 EJAB COCCn1c(C(c2ccccc2)c2ccccc2)nc2ccccc21 4945580 BQNSQRXZEAGXCX-UHFFFAOYSA-N 342.442 4.863 0 40 EJAB CCCC(=O)Nc1cc(C)c(O)c(-c2nc3cc(Cl)ccc3o2)c1 4988474 RMIMNTDQITVFGV-UHFFFAOYSA-N 344.798 4.901 0 40 EJAB CC1CCN(C(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)CC1 6634543 MOJIKJCXQLMHOL-UHFFFAOYSA-N 337.341 4.838 0 40 EJAB COC(=O)c1c(CSc2ccccc2F)nc2ccccc2c1C 7361497 MUSRHCGQNCTZTK-UHFFFAOYSA-N 341.407 4.761 0 40 EJAB COc1ccc2cc([C@H](C)C(=O)NCc3ccccc3C)ccc2c1 8052883 VEYKIYUDHWGMIS-INIZCTEOSA-N 333.431 4.577 0 40 EJAB CC[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(OC)cc2)N3)C1 8197240 NWAOKCROQCMFIR-DIFFPNOSSA-N 342.464 4.701 0 40 EJAB Oc1cccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccsc2)c1 10215379 ZAPRQINYUUNAMD-ICSRJNTNSA-N 348.427 4.696 0 40 EJAB O=C(/C=C/c1ccccc1Cl)Nc1ccc(Cc2ccncc2)cc1 11554518 IRQMHDXCPWHBFM-JXMROGBWSA-N 348.833 4.978 0 40 EJAB O=C1CCCc2c1c(Nc1cccc(Cl)c1)nn2-c1ccccc1 17070960 URQHARURHWJJAV-UHFFFAOYSA-N 337.810 4.788 0 40 EJAB C[C@@H](NC(=O)Cc1ccccc1Cl)c1cccc(C(F)(F)F)c1 23546909 FJWCTNPWCPFWHE-LLVKDONJSA-N 341.760 4.779 0 40 EJAB Fc1ccc(-c2cnc(CN3CCSc4ccccc43)o2)cc1 23707253 SLFYXSNVUHBPFP-UHFFFAOYSA-N 326.396 4.593 0 40 EJAB CS[C@@H](C)C(=O)Nc1cccc(-c2nc3ccccc3s2)c1 31701245 VMKMQZTVJBGWGV-NSHDSACASA-N 328.462 4.653 0 40 EJAB Cc1ccc(-c2cc(C(=O)Nc3cc(Cl)cc(Cl)c3)n[nH]2)cc1 44837735 SPGSYGSWYVRDIK-UHFFFAOYSA-N 346.217 4.944 0 40 EJAB CCc1ccc(NC(=O)Nc2ccc(F)cc2Br)cc1 44844852 JJKWPZRARRZYLZ-UHFFFAOYSA-N 337.192 4.795 0 40 EJAB O=C(Cc1c(F)cccc1Cl)Nc1ccc(-c2ccccc2)cn1 48312110 JBQXXXCQWYXYSM-UHFFFAOYSA-N 340.785 4.722 0 40 EJAB O=C(c1cccnc1S)N1CCC(c2cccc3ccccc23)CC1 58232502 NOBDPTSRKREYPS-UHFFFAOYSA-N 348.471 4.543 0 40 EJAB Cc1cc(-c2csc(C(C)C)n2)c(C)n1NC(=O)c1ccccc1 58324540 UPSXZWMYUUMHEW-UHFFFAOYSA-N 339.464 4.736 0 40 EJAB COc1cc(/C=C/C(=O)OC(C)C)ccc1OCc1ccccc1C 62715155 PSBPDQMITUQSDU-ZRDIBKRKSA-N 340.419 4.547 0 40 EJAB C=Cc1ccc(CSc2nc3ccccc3c(=O)n2CCC)cc1 67258668 OKSSLKJGDPTGSK-UHFFFAOYSA-N 336.460 4.742 0 40 EJAB CC(C)c1cc(C(=O)Nc2c(F)cccc2F)n(-c2ccccc2)n1 71283313 PDQRNJHUHKGFLV-UHFFFAOYSA-N 341.361 4.526 0 40 EJAB COc1ccc(NC(=S)Nc2cc(Cl)cc(Cl)c2)cc1F 71325907 UGBSMIQRYQDWHT-UHFFFAOYSA-N 345.226 4.950 0 40 EJAB S=C1O[C@]2(C[C@@H]3CC[C@H]4CC[C@H]2[C@H]43)[C@@]2(C[C@H]3CC[C@H]4CC[C@@H]2[C@H]43)O1 71785668 LVXICQLAEIUOJT-QTNWYUBGSA-N 344.520 4.708 0 40 EJAB Cc1cc(Cl)ncc1[C@@H]1CCCN1C(=O)OCc1ccccc1 72217835 YQAUSZDECPTLBF-INIZCTEOSA-N 330.815 4.517 0 40 EJAB CCc1cccc(NC(=S)N2c3ccc(F)cc3CC[C@H]2C)c1 72332214 PYLIPUIFSUMZTJ-CYBMUJFWSA-N 328.456 4.926 0 40 EJAB OC1=Nc2c(c(O)nn2C2CCCCC2)[C@@H](c2ccsc2)SC1 80330053 XRZVLBACNFAHSW-CQSZACIVSA-N 349.481 4.580 0 40 EJAB O=C(Oc1cccc(Oc2cccnc2)c1)[C@@H]1C[C@@H]1c1ccc(F)cc1 95456216 GNTSXVPOIINLJO-WOJBJXKFSA-N 349.361 4.722 0 40 EJAB O=C(OC(c1ccccc1)(c1ccccc1)c1ccccc1)C1CC1 96011459 AVNZNFCVVJNLPI-UHFFFAOYSA-N 328.411 4.932 0 40 EJAB Cn1/c(=N/C(=O)c2ccc(-c3ccccc3)cc2)sc2ccccc21 100811272 SBVVOVWZPCWUFC-DQRAZIAOSA-N 344.439 4.648 0 40 EJAB Cc1cccc(NC(=S)NCC2(c3ccccc3)CCCCC2)n1 223990559 WIKRKVHFHZTDKP-UHFFFAOYSA-N 339.508 4.579 0 40 EJAB Cc1cc(C)c2oc(-c3ccc[n+](Cc4ccc(F)cc4)c3)nc2c1 226308333 VKBGSMWOLPSLSY-UHFFFAOYSA-N 333.386 4.587 0 40 EJAB CCc1cccc2c(N)c(Br)cc(Br)c12 2362804309 GHAQSCBEMSNBOL-UHFFFAOYSA-N 329.035 4.509 0 40 EJAB CC(C)Oc1ccccc1NC(=O)Nc1ccc(Br)cc1 35979 SJCBMPZARGZMAG-UHFFFAOYSA-N 349.228 4.880 0 40 EJAB O=C(Nc1ncc(Cc2cccc(Cl)c2)s1)c1ccccc1 134144 UWDOLBLSWYKCAF-UHFFFAOYSA-N 328.824 4.640 0 40 EJAB COc1ccc(-n2c(C)nnc2SCc2ccc(Cl)cc2)cc1 421752 BDJOCZOKDGIGJI-UHFFFAOYSA-N 345.855 4.530 0 40 EJAB C[C@@H]1CCc2sc3nc(SCc4ccccc4)nc(N)c3c2C1 495788 JRSXKWSZOXSHJI-LLVKDONJSA-N 341.505 4.691 0 40 EJAB FC(F)(F)c1nnc(-c2ccccc2)nc1SCc1ccccc1 1390220 TYACPKWCYVUGKN-UHFFFAOYSA-N 347.365 4.850 0 40 EJAB CCc1ccccc1N1COc2c(cc3c(C)c(C)c(=O)oc3c2C)C1 2118808 FQRFEJGSEHFUJL-UHFFFAOYSA-N 349.430 4.637 0 40 EJAB biogenic O=C(COc1ccccc1F)Nc1ccc(Cl)c(C(F)(F)F)c1 3203265 ZWTALLNDPIIWOR-UHFFFAOYSA-N 347.695 4.515 0 40 EJAB Cc1cccc(Oc2ccccc2NC(=O)COc2ccccc2)c1 3348681 RFTYMZQMBOQZJT-UHFFFAOYSA-N 333.387 4.805 0 40 EJAB CCCc1cc2c(cc1NC(=O)C13CC4CC(CC(C4)C1)C3)OCO2 4512306 UZJLXBLLLBMDIC-UHFFFAOYSA-N 341.451 4.523 0 40 EJAB CC(C)=C[C@H]1[C@H](C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)C1(C)C 4753549 ITSBNEWNJSOISB-IXXVDVBUSA-N 329.528 4.946 0 40 EJAB O=C(Nc1ccccc1Cl)c1ccc(COc2ccccc2)o1 5427376 XFOYRPIKEIAMBF-UHFFFAOYSA-N 327.767 4.764 0 40 EJAB CCSc1ccccc1C(=O)Nc1ccccc1Br 7069032 PFPXDSHYNXMBLJ-UHFFFAOYSA-N 336.254 4.813 0 40 EJAB Cc1ccc(NC(=S)Nc2ccc(Br)cc2)cc1F 7350651 RBXJPGHOKQAJLG-UHFFFAOYSA-N 339.233 4.706 0 40 EJAB Cc1ccc(CNc2ncc(-c3cc(C)no3)c(-c3ccco3)n2)cc1 12184306 ITFHXXAGWCKRNC-UHFFFAOYSA-N 346.390 4.621 0 40 EJAB Cc1cccc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(Cl)c2)c1 20137476 HOKURLPBNQPMHY-UHFFFAOYSA-N 341.794 4.653 0 40 EJAB CCCCCNc1cc(C)nc2c(-c3ccc(F)cc3)c(C)nn12 21798900 QEPKVHPFTBFMKU-UHFFFAOYSA-N 326.419 4.754 0 40 EJAB Cc1cccc(-n2ncc(C(=O)Nc3ccc(C)c(Cl)c3)c2C)c1 24831088 SGDNZIQMSFIKPV-UHFFFAOYSA-N 339.826 4.703 0 40 EJAB CC(=O)c1c(Nc2ccc(-c3cc4ccccn4c3)cc2)occc1=O 27788922 YZRGGFGZLQNEMQ-UHFFFAOYSA-N 344.370 4.506 0 40 EJAB CC(=O)c1c(C)nc(-c2ccccc2)nc1SCc1ccccc1 27789636 XLRSXBXLOGZQSE-UHFFFAOYSA-N 334.444 4.947 0 40 EJAB O=C(NCCC1=CCCCC1)c1ccc(CN2CCCCCC2)cc1 38852445 VDGQOHSDBAKGGA-UHFFFAOYSA-N 340.511 4.683 0 40 EJAB Cc1cc2nc(N[C@@H](C)c3ccc(F)c(F)c3)c3ccccc3n2n1 58401834 CDACPPCTBWGAJT-LBPRGKRZSA-N 338.361 4.642 0 40 EJAB Cc1ccc(C)c([C@H](C)NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)c1 59351509 VFKAWBBXAXPGPZ-HOTGVXAUSA-N 345.870 4.910 0 40 EJAB CC(C)N1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 72215321 UOKFWWIALNJGJJ-QGZVFWFLSA-N 345.487 4.531 0 40 EJAB Cc1nc(NCc2ccc(O)cc2)c2c(CC(C)C)csc2n1 84271657 ZFYCYPFXJJYMRU-UHFFFAOYSA-N 327.453 4.516 0 40 EJAB CC(C)n1ccc(C[S@@](=O)[C@H](C)c2ccc(Cl)c(Cl)c2)n1 95418339 PYMISHCUFFJWAX-FIKIJFGZSA-N 345.295 4.781 0 40 EJAB CC(C)C[C@H](CSC(F)(F)F)NC(=O)OCc1ccccc1 95918490 QTZODAZXTOJKHE-CYBMUJFWSA-N 335.391 4.581 0 40 EJAB CC(C)CN1CCC(N[C@H]2CC3(CCCC3)Oc3ccccc32)CC1 95967257 VEDUATXGSKWVNV-FQEVSTJZSA-N 342.527 4.533 0 40 EJAB Cc1coc(-c2ccc(C)c(NC(=O)N3C[C@H]4CCCC[C@@H]4C3)c2)n1 96471094 HYUYUXJUGHEQGV-IAGOWNOFSA-N 339.439 4.612 0 40 EJAB CCO[C@]12c3ccccc3O[C@H](c3ccccc3)[C@@H]1C2(Cl)Cl 103110912 TUHXFTQSJNJHPZ-IXDOHACOSA-N 335.230 4.856 0 40 EJAB CC[C@@H](NC(=O)[C@H](C)Oc1ccc(C)cc1C)c1ccc(C)cc1C 219535423 LCBHSPMJFDIPFT-AZUAARDMSA-N 339.479 4.955 0 40 EJAB CC[C@H](Oc1ccc(C)cc1)C(=O)NCCCc1ccccc1Cl 219587815 CGRNIJMBLXGGPH-IBGZPJMESA-N 345.870 4.555 0 40 EJAB CCCCOCc1cc(C(=O)NC2CCCCCC2)ccc1OCC 224724000 PHSUFCSRRZSAAI-UHFFFAOYSA-N 347.499 4.855 0 40 EJAB CCSc1ccccc1C(=O)Nc1ccc(N2CCCC2)cc1 224928071 GMUIAQHTZVUCAS-UHFFFAOYSA-N 326.465 4.651 0 40 EJAB COc1ccc(CCC(=O)NCCCc2cccc3ccccc23)cc1 225318867 WCTBCNZMXNOGKD-UHFFFAOYSA-N 347.458 4.530 0 40 EJAB Cc1cccc(NC(=S)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)c1 225676810 ZQAXQFCWXVUADW-QGZVFWFLSA-N 340.492 4.892 0 40 EJAB Cc1cc(N2Cc3ccccc3C2=O)cc2nc(-c3ccccc3)oc12 226286213 JZXIAVNWUUPEIX-UHFFFAOYSA-N 340.382 4.964 0 40 EJAB CCCCCC(=O)Nc1cc(-c2ccc(C(=O)O)o2)ccc1Cl 226352293 QFJFSEZQEOKKQG-UHFFFAOYSA-N 335.787 4.817 0 40 EJAB Cc1ccc(-c2ccc(OC(=O)C34CC5CC(CC(C5)C3)C4)nn2)cc1 408530632 QACDSURIKILUHR-UHFFFAOYSA-N 348.446 4.574 0 40 EJAB Fc1ccccc1NCn1nc(-c2ccccc2Cl)oc1=S 329460 ZENOTQVYBCUZMR-UHFFFAOYSA-N 335.791 4.735 0 40 EJAB CCn1c(Cc2ccccc2)nnc1SCc1ccc(Cl)cc1 422425 MWUMEOFRMNCKBP-UHFFFAOYSA-N 343.883 4.835 0 40 EJAB COc1cccc(-c2nc3nc4ccccc4nc3n2C2CCCC2)c1 546257 FLDYFMXIGFZHNK-UHFFFAOYSA-N 344.418 4.770 0 40 EJAB Cc1ccccc1NC(=O)c1sc2nc3c(C)cccc3cc2c1N 1223902 YHBIJNXQTMJTPT-UHFFFAOYSA-N 347.443 4.901 0 40 EJAB COc1ccccc1[C@H](CCNCc1cccs1)c1ccco1 2103154 MZNUAYVWLQJNOQ-KRWDZBQOSA-N 327.449 4.662 0 40 EJAB biogenic C[C@H](NC(=O)CSc1cc(Cl)ccc1Cl)c1ccccc1 2632940 NLIYKOVYYDESMI-NSHDSACASA-N 340.275 4.963 0 40 EJAB CCCCCC(=O)Nc1sc2c(c1C(=O)OC)CC[C@H](CC)C2 2736201 OKQGJIWKKQMGTQ-LBPRGKRZSA-N 337.485 4.568 0 40 EJAB O=C(CCCc1c[nH]c2ccccc12)N[C@@H]1CCCc2ccccc21 3378593 JIJLBPMFRUIMJJ-OAQYLSRUSA-N 332.447 4.684 0 40 EJAB O=C(COC(=O)c1sc2ccccc2c1Cl)c1ccc(F)cc1 3621926 WOXBYUZOZSGIDQ-UHFFFAOYSA-N 348.782 4.734 0 40 EJAB Cc1ccc2nc([C@H](NC(=O)c3cccc(Cl)c3)C(C)C)[nH]c2c1 5626082 KLVFSDOBGBXUFI-QGZVFWFLSA-N 341.842 4.652 0 40 EJAB CCCN1C(=O)S/C(=C/c2ccc(OC(C)C)c(Cl)c2)C1=O 6656541 HXAVCCQVEQEYCM-NTEUORMPSA-N 339.844 4.574 0 40 EJAB CC(C)CC[C@@H](CCNCc1ccccn1)c1ccc2c(c1)OCO2 8658308 FBTLVNVALYBICY-KRWDZBQOSA-N 340.467 4.510 0 40 EJAB S=C(NCCc1ccccc1)c1cccc(OCc2ccccc2)c1 9188115 MIUPLWQDCRONBQ-UHFFFAOYSA-N 347.483 4.773 0 40 EJAB COc1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)cc1 12818896 VXUIKVTYDIQEFB-CYBMUJFWSA-N 334.419 4.554 0 40 EJAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(Br)cc1 14022365 HRQVDPIVUXJOIP-MRXNPFEDSA-N 348.240 4.554 0 40 EJAB C[C@H](Sc1ccccc1)C(=O)Nc1ccccc1C(F)(F)F 20238482 RKUHVBYHHHTKJY-NSHDSACASA-N 325.355 4.825 0 40 EJAB O=C(CSCc1cccc(C(F)(F)F)c1)Nc1cccc(F)c1 23411216 BIOHHGNHFANAFH-UHFFFAOYSA-N 343.345 4.716 0 40 EJAB FC(F)(F)c1ccnc(Nc2cccc(/C=C/c3ccccn3)c2)n1 24053661 TYJWWSOOIZQLHV-BQYQJAHWSA-N 342.324 4.804 0 40 EJAB Cc1cccc(Cc2cnc(NC(=O)c3ccco3)s2)c1Cl 24828514 LLRVPGWYBGKWAA-UHFFFAOYSA-N 332.812 4.541 0 40 EJAB O=C(Nc1ccc(Br)c2cccnc12)C1CCCCC1 27930391 JIHRDLBHMBDTCO-UHFFFAOYSA-N 333.229 4.516 0 40 EJAB CC(C)c1c(C(=O)NC2CCCCCC2)cnn1Cc1ccccc1 32476869 IZDOMQHLWJVUSL-UHFFFAOYSA-N 339.483 4.507 0 40 EJAB OC1=Nc2c(ncn2-c2cccc(Cl)c2)[C@@H](c2cccs2)C1 36352877 UFIKHPWWKORZSK-GFCCVEGCSA-N 329.812 4.711 0 40 EJAB Cc1cc(C)c(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2)c(C)c1 45941256 OJKRRWWSVQZGLE-UHFFFAOYSA-N 339.826 4.703 0 40 EJAB O=[S@@](Cc1ccc(Cl)cc1)Cc1cccc(C(F)(F)F)c1 58131877 QTFFGLRZBOLFPX-OAQYLSRUSA-N 332.774 4.808 0 40 EJAB COc1ccc2c(c1)CCN2C(=O)N[C@H](c1ccccc1)C(C)(C)C 58439542 IWKSNMDIFJWUMC-LJQANCHMSA-N 338.451 4.555 0 40 EJAB C[C@@H](c1cc2ccccc2o1)N(C)Cc1noc(-c2cccs2)n1 65538530 RQXPLQABOWAKOL-LBPRGKRZSA-N 339.420 4.737 0 40 EJAB Clc1ccc(Cl)c2nc(N3CCC(n4ccnc4)CC3)ccc12 95460614 IHFIZHNXZKEAMD-UHFFFAOYSA-N 347.249 4.580 0 40 EJAB CC[C@@H](NC(=O)COc1ccc(C)cc1C)c1ccc(C)c(C)c1 222829765 RKBGTOWQAVDRTF-LJQANCHMSA-N 325.452 4.567 0 40 EJAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1cccc(SC)c1 222982518 ICBLDYVNSPQVOL-GOSISDBHSA-N 329.465 4.821 0 40 EJAB CC[C@@H](Oc1ccccc1C)C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 223218823 TYHZQHIYBDWSDL-OXJNMPFZSA-N 337.463 4.519 0 40 EJAB C[C@H](CNC(=O)CCSc1ccc(Cl)cc1)c1ccccc1 223418236 ZYSZZWSWDYUWPV-CQSZACIVSA-N 333.884 4.742 0 40 EJAB CC[C@H](NC(=O)CCc1ccc(C)c(C)c1)c1ccc(OC)cc1 224294521 NFGQHPXTBGZXBK-FQEVSTJZSA-N 325.452 4.512 0 40 EJAB O=C(CCc1ccc(Cl)cc1)NCCCc1ccc(Cl)cc1 225308193 LLBXQHLWDFJAIY-UHFFFAOYSA-N 336.262 4.675 0 40 EJAB Cc1ccc(NC(=S)NCc2ccc(OC(C)C)cc2)cc1Cl 225446172 WJJPJHSAFIHRCK-UHFFFAOYSA-N 348.899 4.922 0 40 EJAB CCOC1(C(=O)Nc2ccc(OC(C)C)c(C)c2)CCCCCC1 225711808 RJJUHSALVGHQOL-UHFFFAOYSA-N 333.472 4.850 0 40 EJAB CCO[C@@]1(C(=O)Nc2ccc(O[C@H](C)CC)cc2)CCC[C@@H](C)C1 225713129 AONLKXUKUSKWCL-QINHECLXSA-N 333.472 4.788 0 40 EJAB COc1ccc(NC(=O)C(C)(c2ccccc2)c2ccccc2)c(C)c1 225934893 NAVBQJDKKSHQGV-UHFFFAOYSA-N 345.442 4.948 0 40 EJAB CCOc1cc(/C=C/C(=O)Nc2cccc3ccccc23)ccc1OC 408604038 GXLDCQZGRPIRGF-WYMLVPIESA-N 347.414 4.899 0 40 EJAB CC1=Nc2ccccc2C12CCN(C(=O)Nc1cccc(C)c1C)CC2 631535594 PSMLNDBNJUKFNJ-UHFFFAOYSA-N 347.462 4.975 0 40 EJAB Cc1ccc(NC(=O)/C(Br)=C/c2ccccc2)c(C)c1 113666 RSMMEFDSWCVURK-PTNGSMBKSA-N 330.225 4.678 0 40 EJAB O=C(/C=C/c1ccccc1)Nc1ccc(OCc2ccccc2)cc1 318529 LIFRCWMDNFFYSR-LFIBNONCSA-N 329.399 4.918 0 40 EJAB Cc1ccc(SCc2cc3c(cc2Br)OCO3)cc1 344508 QQHSQFFATHGODB-UHFFFAOYSA-N 337.238 4.779 0 40 EJAB CN1C(=S)CN=C(c2ccccc2Cl)c2cc(Cl)ccc21 347214 FQANQUICACYKRI-UHFFFAOYSA-N 335.259 4.608 0 40 EJAB CCc1ccccc1Nc1ncnc2c1cnn2-c1ccc(Cl)cc1 425627 YGYZTPCAAUSYNI-UHFFFAOYSA-N 349.825 4.775 0 40 EJAB CC[C@H](C)c1ccc(NC(=S)NC(=O)c2ccc(C)cc2C)cc1 570441 JDURAUKPYDDYOX-AWEZNQCLSA-N 340.492 4.944 0 40 EJAB Cc1cccc(Cn2c(COc3ccccc3)nc3ccccc32)c1 1079760 VZOJTLZZPYMSFU-UHFFFAOYSA-N 328.415 4.972 0 40 EJAB O=C(CCc1cccc(Br)c1)c1ccc(F)cc1F 2516736 IFVCDBUKMLXYGU-UHFFFAOYSA-N 325.152 4.543 0 40 EJAB Cc1c(Cl)cccc1-n1c(SC(C)C)nnc1-c1ccncc1 3327073 SHOORIKCYBZVJH-UHFFFAOYSA-N 344.871 4.792 0 40 EJAB CCOc1ccccc1Nc1ncnc2sc3c(c12)CCCC3 3340035 JZWKLOKBZNXADS-UHFFFAOYSA-N 325.437 4.712 0 40 EJAB Cc1ccc2c(c1)C(c1cccs1)=NNC(c1ccc(F)cc1)=N2 4168576 USQOTZUREHIWMO-UHFFFAOYSA-N 335.407 4.630 0 40 EJAB CC(C)OP(=O)(OC(C)C)[C@H](N)C12CC3CC(CC(C3)C1)C2 6762704 YXAOLNQFCZWDQD-KLZNEWFBSA-N 329.421 4.531 0 40 EJAB Cc1cc(OCC(=O)N[C@H](c2cccs2)C(C)C)ccc1Cl 7078626 VQPTWBPCFHFPAV-KRWDZBQOSA-N 337.872 4.602 0 40 EJAB Cc1nc(SCc2cc3ccccc3nc2Cl)nc(C)c1C 8574430 JFDGDPVSAGKLKZ-UHFFFAOYSA-N 329.856 4.896 0 40 EJAB CCn1c(S[C@H]2CCCCCC2=O)nnc1-c1ccc(Cl)cc1 12867304 KUTNOZVXXCYWFH-HNNXBMFYSA-N 349.887 4.612 0 40 EJAB CCOc1ccc(Br)cc1C(=O)Nc1cccc(C)c1C 14654620 GWLCXZHMCMQOBP-UHFFFAOYSA-N 348.240 4.717 0 40 EJAB Cc1ccc2occ(CC(=O)Nc3ccc(OC(F)F)cc3)c2c1 16806325 VPIHDNFOVGVXMV-UHFFFAOYSA-N 331.318 4.524 0 40 EJAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1cccc(SC)c1 20460779 WOYXFWPDKKXESQ-KRWDZBQOSA-N 329.465 4.821 0 40 EJAB Cc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)cn1 22415826 HZDUUPIBQQMFFI-UHFFFAOYSA-N 345.427 4.919 0 40 EJAB Cc1ccc(OCc2ccc(C(=O)N(C)Cc3cccs3)o2)cc1 31347839 VQKVTWDWDOTWLT-UHFFFAOYSA-N 341.432 4.501 0 40 EJAB O=C(Nc1ccccc1N1CCCC1)N[C@@H](c1ccccc1)C1CC1 40103750 AUZZRPWBYPGFJF-FQEVSTJZSA-N 335.451 4.560 0 40 EJAB C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)Cc1cccs1 45262423 OYJMAGKEENTIDI-JTQLQIEISA-N 328.264 4.817 0 40 EJAB O=C(Nc1ccc(Cl)cc1)c1cc(-c2cccc(Cl)c2)no1 66089051 JFJOGGJWSCPFOT-UHFFFAOYSA-N 333.174 4.901 0 40 EJAB Cc1cc(Br)cc(C)c1NC(=O)c1cc(F)ccc1F 79209537 CVVKKLOAKMMJKF-UHFFFAOYSA-N 340.167 4.596 0 40 EJAB O=C(c1cc2ccccc2[nH]1)N1CCS[C@@H](c2cccs2)CC1 219462598 VNXLUKRGQJNXLH-QGZVFWFLSA-N 342.489 4.550 0 40 EJAB O=C(c1ccc2[nH]ccc2c1)N1CCS[C@H](c2cccs2)CC1 219505638 XPRNTOARWUUOLG-KRWDZBQOSA-N 342.489 4.550 0 40 EJAB CCCCOc1c(C)cc(NC(=O)[C@](C)(OCC)C2CC2)cc1C 225725421 LHYUVVAQLLGHMY-HXUWFJFHSA-N 333.472 4.626 0 40 EJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(Cl)cc3)N21 260786449 XDIUTCKQOBTTTB-OIISXLGYSA-N 343.883 4.714 0 40 EJAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc2ccccc2c1 408705327 CDLUZGQUCCGKGP-FQEVSTJZSA-N 335.403 4.645 0 40 EJAB Cc1nnc(SCCCc2ccccc2)n1-c1ccc(Cl)cc1 409107182 VNZLSYKZXKWGND-UHFFFAOYSA-N 343.883 4.954 0 40 EJAB Cc1cscc1-c1nc2cc(-c3ccc(F)cc3)sc2c(=O)[nH]1 531503686 UFZPXIXKRRDJSP-UHFFFAOYSA-N 342.420 4.828 0 40 EJAB O=C(Oc1ccc2c(Br)cccc2c1)c1cccs1 1501021322 OCNOIMJNSRUSJE-UHFFFAOYSA-N 333.206 4.883 0 40 EJAB O=C(N[C@@H](c1ccccc1)C(Cl)(Cl)Cl)Oc1ccccc1 361131 GGXQDFWWZMJNNS-ZDUSSCGKSA-N 344.625 4.887 0 40 EJAB Cc1ccc2cc(C)c(SCC(=O)N3[C@@H](C)CCC[C@H]3C)nc2c1 412056 HSRKZMYOTQFYRK-IYBDPMFKSA-N 342.508 4.733 0 40 EJAB COC(=O)[C@@H](CC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1 1640884 KEJILQKPDRGJCH-NRFANRHFSA-N 344.410 4.883 0 40 EJAB CSc1ccccc1C(=O)c1ccc(CN2CCCCC2)cc1 2514502 UMSRVJRBPYWLBT-UHFFFAOYSA-N 325.477 4.625 0 40 EJAB CCCc1ccc(-c2csc(NC(=O)c3c(C)noc3C)n2)cc1 3533572 KLHPSKOAKVMBHK-UHFFFAOYSA-N 341.436 4.620 0 40 EJAB CCCC(=O)Nc1c(C(=O)Nc2cccc(F)c2)oc2ccccc12 4162524 FVSJWPXAWWIWPU-UHFFFAOYSA-N 340.354 4.563 0 40 EJAB COc1ccc(Cl)cc1Nc1ncnc2c1oc1ccccc12 5254521 ADSHQKZGDDCIDS-UHFFFAOYSA-N 325.755 4.782 0 40 EJAB CSc1cccc(C(=O)Nc2nc3ccc(SC)cc3s2)c1 5299198 LOVHYFUEACCGFH-UHFFFAOYSA-N 346.502 4.992 0 40 EJAB O=C(NCc1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 6337449 NLISICZHMWHDPP-UHFFFAOYSA-N 347.258 4.654 0 40 EJAB Cc1cccc(OCCSC2=Nc3ccccc3[C@@H]3CC=NN23)c1 6787388 XDLOFBFWIKMRFC-SFHVURJKSA-N 337.448 4.541 0 40 EJAB O=C(Nc1ccc2nc(-c3ccccc3)oc2c1)c1ccccc1F 6864621 ZCDNQBRVSYGDEQ-UHFFFAOYSA-N 332.334 4.886 0 40 EJAB CCOc1ccc(C(C)=O)cc1CN(C)Cc1cccc(Cl)c1 6881549 UYTKVEOCUFUOFI-UHFFFAOYSA-N 331.843 4.573 0 40 EJAB COc1cccc(CNCC(C)C)c1OCc1ccc(Cl)cc1 6883649 FOPQLMNZHURNHD-UHFFFAOYSA-N 333.859 4.673 0 40 EJAB COc1cc(NC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)cc(OC)c1 7969917 GFRPKIXBZLPFDD-SFHVURJKSA-N 347.842 4.736 0 40 EJAB COc1ccc(-c2nc(-c3ccccc3OC)cs2)cc1OC 8327593 CUWNNXCQMNACPM-UHFFFAOYSA-N 327.405 4.503 0 40 EJAB Cc1ccc(-c2nc(NCc3ccncc3)ncc2-c2ccsc2)o1 12233140 PVDPWQMPMQKELT-UHFFFAOYSA-N 348.431 4.781 0 40 EJAB CCOc1ccccc1NC(=S)N[C@H](CC)c1ccc(C)cc1 13931735 CTGADSRMSVNFDW-MRXNPFEDSA-N 328.481 4.831 0 40 EJAB COc1ccccc1NC(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 18175488 ODIAFOYXLOHYHZ-LLVKDONJSA-N 338.329 4.597 0 40 EJAB O=C1CS[C@H](c2cccs2)N1c1ccc(C(F)(F)F)cc1 19927110 PEYXRAUGEZSIHX-CYBMUJFWSA-N 329.368 4.546 0 40 EJAB COc1ccc([C@@H](CC(C)C)NC(=O)Cc2ccc(C)c(C)c2)cc1 20491287 NPFDXBVSJSUWJP-OAQYLSRUSA-N 339.479 4.758 0 40 EJAB CCCc1cc(=O)oc2cc(Oc3ncnc4ccsc34)ccc12 24717107 BLMVYQSENYFATR-UHFFFAOYSA-N 338.388 4.543 0 40 EJAB O=C(N[C@H](c1ccccc1)c1cccs1)c1cccc2ncccc12 26940772 DWBDELQLQVZBFM-HXUWFJFHSA-N 344.439 4.816 0 40 EJAB Cc1ccc(C2=Nc3ccccc3S[C@@H]2NC(=O)c2ccco2)cc1 27024730 IWNQWJHTOGWUDC-FQEVSTJZSA-N 348.427 4.571 0 40 EJAB FC(F)(F)c1ccc(CN2CC[C@H](c3nc4ccccc4[nH]3)C2)cc1 49169075 HPCJJAZFAXMADQ-AWEZNQCLSA-N 345.368 4.571 0 40 EJAB biogenic,in-vitro Cc1occc1CN(C)C(=O)c1ccc(C2SCCCS2)cc1 55462366 RFOHCZRTEVSTHE-UHFFFAOYSA-N 347.505 4.729 0 40 EJAB CCc1cc2c(N[C@@H](c3ccccc3)[C@@H]3CCCO3)ncnc2s1 58217485 NVDDZKKWHPNRQN-IRXDYDNUSA-N 339.464 4.586 0 40 EJAB CC[C@@H](Oc1ccccc1C)C(=O)N[C@H](C)c1ccc(C)c(C)c1 59351298 FTBYXNFNAFDGIA-IEBWSBKVSA-N 325.452 4.647 0 40 EJAB CCN1CCC[C@@H]1c1ccc(N(CC(C)C)C(=O)OC(C)(C)C)nc1 72214549 IUZIZWWQZXXVEM-QGZVFWFLSA-N 347.503 4.636 0 40 EJAB CC[C@@H](C)C(=O)Nc1nc(-c2ccccc2)c(Br)s1 89942156 VLHISMRYRBGUCI-SECBINFHSA-N 339.258 4.557 0 40 EJAB O=C(c1ccc(NCc2ccccc2)cc1Cl)N1CCCCC1 97074553 ADQSYRBGHXMELP-UHFFFAOYSA-N 328.843 4.578 0 40 EJAB C[C@@H]1[C@@H](NC(=O)CSCc2cccc(Cl)c2)CCC[C@H]1C 105926232 DAUGJXSEMDJQKK-WWGRRREGSA-N 325.905 4.514 0 40 EJAB Cc1ccc(/C=C/C(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1 223450179 CBLZAWCYISGFHO-NTEUORMPSA-N 337.463 4.501 0 40 EJAB CCOC(=O)c1ccc(NC(=S)Nc2ccc(Cl)cc2)c(C)c1 225463859 PCMNXIBILPDJMT-UHFFFAOYSA-N 348.855 4.634 0 40 EJAB COc1cccc(CCCNC(=S)Nc2ccc(C(C)C)cc2)c1 225552413 GJRAWPLPLCZEFB-UHFFFAOYSA-N 342.508 4.738 0 40 EJAB CC[C@H](C(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C)C(=O)c1ccccc1 245239008 DMADGBHCTZPDTK-DSLXNQLJSA-N 330.468 4.900 0 40 EJAB CC(C)(C)c1ccc(/C=C/C(=O)NCc2ccccc2Cl)cc1 409116953 VVKZHSWZNHOSIL-JLHYYAGUSA-N 327.855 4.967 0 40 EJAB C/C(=C\c1nc2ccc(F)cc2s1)c1nc(O)c2ccsc2n1 559353496 MIGFZOFRAZPWEK-SOFGYWHQSA-N 343.408 4.706 0 40 EJAB CC(C)Cc1ccc([C@H](C)C(=O)N(C)Cc2c(F)cccc2F)cc1 1129295085 ZZNSCYPIHIHFCY-HNNXBMFYSA-N 345.433 4.925 0 40 EJAB Cc1ccc(-c2nnc(-n3cnc4ccccc43)c3ccccc23)cc1 87857 UVLKSNKTKMRRHJ-UHFFFAOYSA-N 336.398 4.944 0 40 EJAB CC1(C)C(=O)C(C)(C)C12O[C@](c1ccccc1)(C(F)(F)F)CS2 478290 VIKOOWXPYXPQTB-OAHLLOKOSA-N 344.398 4.539 0 40 EJAB Cc1ccc(-n2c(C=Cc3ccc(N)cc3)nc3cc(N)ccc32)cc1 3845369 MRFCVQUZXHJVSS-UHFFFAOYSA-N 340.430 4.669 0 40 EJAB biogenic C[C@@H]1CCc2nn(-c3nc4ccccc4s3)c(C(F)(F)F)c2C1 5275067 MHWGDPXYTRJTQK-SECBINFHSA-N 337.370 4.626 0 40 EJAB O=C(NCc1ccc2[nH]c3c(c2c1)CCCC3)c1ccccc1Cl 6226952 MMHTZECDIULQAP-UHFFFAOYSA-N 338.838 4.630 0 40 EJAB c1ccc(-c2csc3ncnc(SC[C@@H]4CCCO4)c23)cc1 6543225 KLVDSDNOCVIGEJ-ZDUSSCGKSA-N 328.462 4.629 0 40 EJAB CC(=O)c1ccccc1NC(=O)[C@H](c1ccc(Cl)cc1)C(C)C 6881759 TUUOTWQKJRWBTM-SFHVURJKSA-N 329.827 4.921 0 40 EJAB Brc1ccc(CSc2nc(-c3ccccc3)n[nH]2)cc1 7472453 XLTGJSXURXXELA-UHFFFAOYSA-N 346.253 4.527 0 40 EJAB Cc1ccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1C 8790827 LLVVFCKLNZQYDD-UHFFFAOYSA-N 343.839 4.728 0 40 EJAB O=C(Nc1cc(-c2ccc(F)c(F)c2)no1)c1cccc(Cl)c1 9250596 DQUGTACGMOPNAS-UHFFFAOYSA-N 334.709 4.526 0 40 EJAB Cc1nn(C)c(C)c1CCC(=O)Nc1c(C(C)C)cccc1C(C)C 10509036 NEIZGYRONKESQE-UHFFFAOYSA-N 341.499 4.855 0 40 EJAB Oc1cccc2ccc(/C=C/c3ccc(Br)cc3)nc12 15016514 YIABCVSURKCEHB-UXBLZVDNSA-N 326.193 4.873 0 40 EJAB C[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccc(F)cc1 16446336 VYHJVJPWQOHPBY-RYUDHWBXSA-N 337.847 4.837 0 40 EJAB Cc1cccc(C)c1NC(=O)C1(c2ccc(Br)cc2)CC1 24748036 IXOUPRCNDAHRJU-UHFFFAOYSA-N 344.252 4.736 0 40 EJAB O=C(c1c[nH]c2ccccc12)[C@@H](NCc1cccs1)c1ccccc1 25665674 KZVVHEJWCBOWNQ-FQEVSTJZSA-N 346.455 4.943 0 40 EJAB Oc1c(-c2oncc2-c2ccc(Cl)cc2)ccc2c1OCCCO2 26571953 KWZBWPUHFIXAIP-UHFFFAOYSA-N 343.766 4.529 0 40 EJAB Cc1ccc(S[C@@H](C)C(=O)N(C)Cc2ccc(Cl)cc2)cc1 30871755 RGVWGRJDSLVYSL-AWEZNQCLSA-N 333.884 4.788 0 40 EJAB COc1cccc(Nc2c(-c3ccc(O)cc3)nc3ccc(C)cn23)c1 35616220 NOWLQKNRYKVIOE-UHFFFAOYSA-N 345.402 4.768 0 40 EJAB C[C@@H](c1ccco1)N(C(=O)c1ccc(Cl)s1)c1ccccn1 37868922 GFNIUVDTKGETNT-NSHDSACASA-N 332.812 4.798 0 40 EJAB CC[C@@H](Oc1ccccc1C)C(=O)N[C@H](CC)c1ccc(C)cc1 44900532 XLTLCBSEBSLCNG-RTBURBONSA-N 325.452 4.728 0 40 EJAB CC(C)c1nc(CN(Cc2cccs2)C[C@H]2CCCO2)cs1 46054328 YFFYVBCGIIILDZ-OAHLLOKOSA-N 336.526 4.509 0 40 EJAB CCOC(=O)/C=C/c1ccc(-c2ccc(C)cc2Br)o1 57353774 VDOZHRCVFAOZMG-RMKNXTFCSA-N 335.197 4.594 0 40 EJAB C[C@@H](NC(c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1F 58160545 RAXKHNASNHXVTP-MRXNPFEDSA-N 348.421 4.532 0 40 EJAB O=C(CN1CCC[C@@H]1c1cccc(F)c1)Nc1ccc2ccccc2c1 58356870 DUONXWZGYBUXKU-OAQYLSRUSA-N 348.421 4.755 0 40 EJAB COc1ccc(C(=O)NCc2sccc2C)cc1-c1ccccc1 64907922 WOWPKGNBELTWKZ-UHFFFAOYSA-N 337.444 4.662 0 40 EJAB O=C(NCCc1cccs1)Nc1ccc2c(c1)Cc1ccccc1-2 65490216 CDDKHUGZNNOENX-UHFFFAOYSA-N 334.444 4.684 0 40 EJAB CCc1ccccc1Nc1nc(C)c(C(=O)NC2CCCCC2)s1 71326527 GYVCXHLYYSLJBV-UHFFFAOYSA-N 343.496 4.820 0 40 EJAB CC[C@@H](C)Nc1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)cn1 72213555 GLABRFUAESHSMK-GDBMZVCRSA-N 333.476 4.754 0 40 EJAB C[C@@H]1C[C@H]1c1ccc(CCC(=O)N2CCCC[C@@H]2c2nccs2)o1 72285985 DWVHNQYVENTWOU-FVQBIDKESA-N 344.480 4.546 0 40 EJAB Cc1ccc(C)c([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1 113943666 NGYQGEOCXLWRFA-HUUCEWRRSA-N 331.843 4.602 0 40 EJAB CC(C)(C)OC(=O)N1CCC[C@@H]1c1ccc(F)c(Br)c1 199830291 ARDAHWPIQGJSKM-CYBMUJFWSA-N 344.224 4.660 0 40 EJAB FC(F)(F)Oc1cc(Br)cc(SC(F)(F)F)c1 201700384 WCGYRPQAUNIEOH-UHFFFAOYSA-N 341.070 4.960 0 40 EJAB Cc1cccc(CSCC(=O)NCc2cccc3ccccc23)c1 222890929 JRQDULSKANFYRM-UHFFFAOYSA-N 335.472 4.698 0 40 EJAB Cc1ccc(OC[C@@H](C)NC(=S)Nc2cccc(Cl)c2)cc1C 225789107 CHRXXSOWXQJXDP-CQSZACIVSA-N 348.899 4.711 0 40 EJAB Fc1ccc(Cc2cnc([C@H]3CCCN3Cc3ccccc3)o2)cc1 257219049 DFLABWWHQUPYRT-HXUWFJFHSA-N 336.410 4.742 0 40 EJAB O=C(c1cc2ccccc2s1)N1CCc2sc(Cl)cc2C1 575616865 RWJNCCLASQQWNT-UHFFFAOYSA-N 333.865 4.815 0 40 EJAB COc1ccc(-n2c(C)cc(/C=C3/C(=O)Nc4ccccc43)c2C)cc1 575028 TUXDFGWINWSRJK-DEDYPNTBSA-N 344.414 4.595 0 40 EJAB Cc1cc(C)c2sc(NC(=O)COc3ccc(Cl)cc3)nc2c1 4331083 WQLYOHCBBMUCOT-UHFFFAOYSA-N 346.839 4.584 0 40 EJAB C[C@@H](O)c1nc2ccccc2n1CCCOc1cccc2ccccc12 4385603 MSOCFSWYWMAJSM-MRXNPFEDSA-N 346.430 4.712 0 40 EJAB S=C1NC2(CCCCCC2)N=C1c1ccc(Cl)cc1Cl 4891231 YBDMAVMNLAHOBJ-UHFFFAOYSA-N 327.280 4.764 0 40 EJAB CCSc1ccccc1C(=O)Nc1ccc2sc(C)nc2c1 5240700 MXDBDJHBOCJSBE-UHFFFAOYSA-N 328.462 4.969 0 40 EJAB CCCCC1=N[C@@H]2Sc3c(OC(C)C)ncnc3[C@H]2C2=C1CCC2 6309872 WQNWRPQOFRRICC-DNVCBOLYSA-N 343.496 4.905 0 40 EJAB COc1ccc(SCc2cc(=O)oc3cc(C)c(C)cc23)cc1 7294653 ZAAUJJYNMRNYHP-UHFFFAOYSA-N 326.417 4.711 0 40 EJAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1c(F)cccc1F 7988952 SGRIFHZZROTHOX-UHFFFAOYSA-N 335.659 4.889 0 40 EJAB C[C@H]1CCCC[C@@]12CCc1cc3c4c(c(=O)oc3cc1O2)CCCC4 9341928 RYANGRYRTYPUCU-RCDICMHDSA-N 338.447 4.946 0 40 EJAB CCCc1ccc(-c2nc(NC(=O)c3cccnc3)sc2C)cc1 9653046 ZWBIAQPFPSWWHH-UHFFFAOYSA-N 337.448 4.718 0 40 EJAB Cc1ccc(CC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 10697609 ZHVOFEDRBBAXSE-UHFFFAOYSA-N 329.443 4.767 0 40 EJAB O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)Nc1ccc2c(c1)C(=O)c1ccccc1-2 12377180 KNWKNLLHCPJJQD-ZNMIVQPWSA-N 331.415 4.663 0 40 EJAB Cc1noc2nc(C3CC3)cc(C(=O)Nc3ccc(C(C)C)cc3)c12 12754691 ZHAKSISNCVYNRS-UHFFFAOYSA-N 335.407 4.784 0 40 EJAB C[C@H](Oc1ccc(F)cc1)C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 12947539 AAVRHBDEERLXEG-SGTLLEGYSA-N 347.817 4.514 0 40 EJAB O=C1C[C@@H](c2nc3cc(Cl)ccc3o2)CN1c1ccc(Cl)cc1 15081932 DAZSOGYYQCRDGQ-SNVBAGLBSA-N 347.201 4.655 0 40 EJAB CCN(c1ncnc2c1cnn2-c1ccc(C)c(C)c1)C1CCCCC1 17288192 ZUSKBLHQUSKQOO-UHFFFAOYSA-N 349.482 4.591 0 40 EJAB CCOc1ccc(Oc2ccc(NC(=O)c3ccc(C)nc3)cc2)cc1 22415004 ZFKVVRBQIDURLG-UHFFFAOYSA-N 348.402 4.833 0 40 EJAB O=C(CSc1ccc2ccccc2c1)N[C@@H]1CCOc2ccccc21 23053351 FMWHVPBVLAMBBL-LJQANCHMSA-N 349.455 4.572 0 40 EJAB O=C(N[C@H]1CCCC[C@@H]1C(F)(F)F)c1cc(Cl)ccc1Cl 25047727 FHHKPKHQHZSQQJ-JQWIXIFHSA-N 340.172 4.844 0 40 EJAB Cc1cc(C)cc(Nc2nc(Cl)nc3c2cnn3-c2ccccc2)c1 32500098 REOWXGXIKZZHAA-UHFFFAOYSA-N 349.825 4.829 0 40 EJAB Oc1ccc([C@H]2NC[C@H](c3cccs3)c3c2[nH]c2ccccc32)cc1 32666110 VRGSDOREZIQCQX-OXQOHEQNSA-N 346.455 4.760 0 40 EJAB CC(C)n1ncc2cc(C(=O)O[C@@H](C)c3ccccc3Cl)cnc21 32866020 HAUODKGITPPERX-LBPRGKRZSA-N 343.814 4.584 0 40 EJAB Cc1cc(OCC(=O)Nc2ccc(C)c3ncccc23)ccc1Cl 41156791 VHTIJAZNTVHDSL-UHFFFAOYSA-N 340.810 4.523 0 40 EJAB CCc1nc2cc(N[C@@H](C)c3nnc(-c4ccc(C)cc4)o3)ccc2o1 56201062 QNOSBFJMECTLOO-ZDUSSCGKSA-N 348.406 4.922 0 40 EJAB O=C(CSCc1cccnc1)Nc1ccc2c(c1)oc1ccccc12 58427786 OVDIDOKWPRAPQZ-UHFFFAOYSA-N 348.427 4.853 0 40 EJAB O=C(CCCc1nc2ccccc2s1)Nc1ccc2cc[nH]c2c1 71283058 SOTCSEORUUNFAU-UHFFFAOYSA-N 335.432 4.739 0 40 EJAB Fc1ccc(F)c(NC(=S)Nc2ccc(OC(F)(F)F)cc2)c1 71761656 PKSVKYQCPNZZRL-UHFFFAOYSA-N 348.296 4.672 0 40 EJAB O=Cc1ccc(Br)cc1Oc1ccc(F)c(Cl)c1 104421957 HLJURVDYXDVHIN-UHFFFAOYSA-N 329.552 4.846 0 40 EJAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)/C=C/c1cccc(C(F)(F)F)c1 107451549 NTERBJWYCRVGDG-WLMRPTJKSA-N 325.374 4.660 0 40 EJAB CCc1ccc([C@H](C)NC(=O)[C@@H](CC)Oc2cccc(C)c2)cc1 224927459 VLNOYSRAJATBCC-OXJNMPFZSA-N 325.452 4.592 0 40 EJAB Cc1ccc(NC(=O)Cc2cccc(Br)c2)cc1Cl 225613485 DQKSFYNEUJUESD-UHFFFAOYSA-N 338.632 4.592 0 40 EJAB Cc1ccc(-c2ccc(C(=O)O)o2)c(NC(=O)c2ccccc2C)c1 226356586 PCVAAXKSHFIUNJ-UHFFFAOYSA-N 335.359 4.514 0 40 EJAB Oc1c(Br)cc(Br)c2scc(Cl)c12 228943987 QQGWHTCYFSCWRW-UHFFFAOYSA-N 342.439 4.785 0 40 EJAB CCCCCCn1nnc2sc3c(c2c1=O)CC[C@H](C(C)(C)C)C3 1784978 XYPYMHRSOBKGSJ-ZDUSSCGKSA-N 347.528 4.584 0 40 EJAB CCCCCc1c(C)nc(SCc2cc(C)ccc2C)[nH]c1=O 2191061 GNCBHHFXYFAZRI-UHFFFAOYSA-N 330.497 4.720 0 40 EJAB CSc1ccc(C(=O)c2ccc(CN3CCCCC3)cc2)cc1 2514503 YXLWYKJKSWEDDS-UHFFFAOYSA-N 325.477 4.625 0 40 EJAB Cc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccccc3C)cc2)cc1 3059673 CNVMUVFCQYKRKI-UHFFFAOYSA-N 344.414 4.808 0 40 EJAB Cc1nc(SCCOc2ccc(Cl)cc2)c2ccccc2n1 4679495 WGUIWWHMDHFDOQ-UHFFFAOYSA-N 330.840 4.763 0 40 EJAB Cc1ccc(C)c([C@@H](NC(=O)/C=C/c2ccco2)c2ccccc2)c1 4695534 HKKNVLRXLCFERP-GNNUASRNSA-N 331.415 4.815 0 40 EJAB Clc1ccc2c(Sc3nncn3-c3ccccc3)ccnc2c1 6585177 RWXPIEXYAKGBRG-UHFFFAOYSA-N 338.823 4.620 0 40 EJAB CCCCCOc1cccc(OCC(=O)Nc2ccccc2C)c1 7261530 GJEAXYWDCFQFFM-UHFFFAOYSA-N 327.424 4.582 0 40 EJAB Cc1cccc(NC(=S)Nc2ccccc2Br)c1C 7737999 WOHNXHHVTANXQM-UHFFFAOYSA-N 335.270 4.875 0 40 EJAB CC[C@@H](C)NCc1ccc(OCc2ccccc2Cl)c(OC)c1 8325971 LTANOCNKQUEAOV-CQSZACIVSA-N 333.859 4.816 0 40 EJAB CC[C@@H](NC1=CC(=O)OC12CCCCC2)C12CC3CC(CC(C3)C1)C2 12418789 SWXJXPQCUJPXRU-IGDKPHCXSA-N 343.511 4.715 0 40 EJAB C[C@H](c1ccccc1)N(C)C(=O)c1cccc(NC(=O)C(C)(C)C)c1 12781471 QQOAXKHGFVXUEU-OAHLLOKOSA-N 338.451 4.504 0 40 EJAB O=C(Cc1csc(-c2ccccn2)n1)Nc1cccc2ccccc12 12893248 QLAUKHIMRKHLJZ-UHFFFAOYSA-N 345.427 4.540 0 40 EJAB Cc1nc(/C=C/C(=O)Nc2ccccc2-c2cccs2)cs1 14801077 UICAFKHQIMOARY-CMDGGOBGSA-N 326.446 4.832 0 40 EJAB Cc1ccccc1C(=O)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1 20137420 SOOBJSXOJHIMTN-UHFFFAOYSA-N 341.794 4.653 0 40 EJAB O=C1Cc2cc(-c3csc(Nc4ccccc4Cl)n3)ccc2N1 24937228 LUVUXWCHDRXLJL-UHFFFAOYSA-N 341.823 4.702 0 40 EJAB CC[C@H](NC(=O)CSCc1ccc(Cl)cc1)c1ccccc1 30754762 XWPVFYZAYIUYET-KRWDZBQOSA-N 333.884 4.841 0 40 EJAB O=C(NCCOc1ccc(Cl)cc1)Nc1cccc2ccccc12 30836404 XCSADUZGSGVDCF-UHFFFAOYSA-N 340.810 4.694 0 40 EJAB Cc1cc(C(=O)N(CCc2ccccc2)Cc2cccs2)c(C)o1 32678901 ZNVHSFAWXKMBOH-UHFFFAOYSA-N 339.460 4.843 0 40 EJAB Cc1cc(F)ccc1C(=O)OCC(=O)c1ccc(-c2ccccc2)cc1 33575729 ZOCJPJPGPPUFDZ-UHFFFAOYSA-N 348.373 4.841 0 40 EJAB Cc1ccc(-c2nc3cc(NC(=O)C(F)(F)F)ccc3o2)c(C)c1 57316766 LSPZYIAFZDJYJG-UHFFFAOYSA-N 334.297 4.612 0 40 EJAB CCn1ccc2cc(NC(=O)c3oc4ccccc4c3COC)ccc21 58426381 ZDAHLNSOAGWKCS-UHFFFAOYSA-N 348.402 4.806 0 40 EJAB O=C(Nc1ccccc1C(F)(F)F)N1CC[C@@H]1c1ccccc1F 72314072 RIWCXLRIQIXBDP-OAHLLOKOSA-N 338.304 4.823 0 40 EJAB O=C(NCc1ccc(F)cc1Cl)c1ccc(Cl)c(Cl)c1 72331421 WYHUVVVHCQQMFR-UHFFFAOYSA-N 332.589 4.716 0 40 EJAB O=C(O)CCCSc1nc2ccccc2n1CC1CCCCC1 82087088 PFLPZGYNBSFQJX-UHFFFAOYSA-N 332.469 4.574 0 40 EJAB COc1ccc2c(c1)c(C(=O)N[C@@H](C)CCC(C)C)c(C)n2C1CC1 84026929 WWEMJUPHCHNDGM-AWEZNQCLSA-N 342.483 4.848 0 40 EJAB O=C(Nc1nnc(Cc2cccc3ccccc23)s1)c1ccccc1 95116306 ZMDNAQSVIYWLJB-UHFFFAOYSA-N 345.427 4.534 0 40 EJAB CCCCNC(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1 196387311 IYEDCQBQUJNQAS-UHFFFAOYSA-N 342.222 4.695 0 40 EJAB Cc1nc2ccc(Cl)cn2c1-c1nnc(-c2ccccc2Cl)o1 216608878 CHHVMSMKIYUTFW-UHFFFAOYSA-N 345.189 4.667 0 40 EJAB CCc1ccc([C@H]2[C@H](c3ccccn3)N=C3SC[C@@H](CC)N32)cc1 222641921 JYHZLVZQXPJPDJ-NEWSRXKRSA-N 337.492 4.623 0 40 EJAB CC(C)(C)CC(C)(C)NC(=O)CSCc1ccc(Cl)cc1 223405911 XUKILVZXSSEQEW-UHFFFAOYSA-N 327.921 4.904 0 40 EJAB CCOCc1cc(C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCC 224695301 WBJRLYQLGCXAMO-UHFFFAOYSA-N 347.842 4.836 0 40 EJAB COc1ccc(-c2nc(O)c3c4c(sc3n2)CCCCC4)cc1C 408987147 DRWMOHBSPKCPCO-UHFFFAOYSA-N 340.448 4.650 0 40 EJAB Cc1ccc(Cc2cnc(NC(=O)/C=C/c3ccccc3)s2)cc1 134164 PBJQLPMFWQAJAB-VAWYXSNFSA-N 334.444 4.694 0 40 EJAB Nc1nc(-c2ccc(Cl)cc2)nc2sc3c(c12)CCCCC3 137202 JTKAPNKPJVQALH-UHFFFAOYSA-N 329.856 4.863 0 40 EJAB O=C1c2ccsc2SCCN1Cc1ccc(Cl)c(Cl)c1 1403648 AKNFDVBRSTZHMO-UHFFFAOYSA-N 344.288 4.803 0 40 EJAB O=C(Nc1nc2ccc(Oc3ccccc3)cc2s1)c1ccncc1 2628374 YWWPGHMDHMFQFI-UHFFFAOYSA-N 347.399 4.736 0 40 EJAB Cc1sc2nc([C@H](C)Sc3ccccc3F)[nH]c(=O)c2c1C 3334912 RGLITQLRERKDRO-JTQLQIEISA-N 334.441 4.594 0 40 EJAB CCOc1cc(C(=O)Nc2c(C)cccc2C)ccc1OCC(C)C 3359653 AKHPEWOKZWXIHR-UHFFFAOYSA-N 341.451 4.989 0 40 EJAB c1ccc(-c2nc3ccccn3c2Nc2ccc3c(c2)OCCO3)cc1 4126237 LADDRPDIGSDXRB-UHFFFAOYSA-N 343.386 4.516 0 40 EJAB CCCOc1ccc(C(=O)Nc2ccccc2Cl)cc1OCC 4682246 GCZWGKSLFRXGSD-UHFFFAOYSA-N 333.815 4.780 0 40 EJAB O=C(Nc1ccc(F)cc1F)c1ncoc1-c1cccc(Cl)c1 5002059 MDJYJPGCIJWHDO-UHFFFAOYSA-N 334.709 4.526 0 40 EJAB CCOc1c(Cl)cc(C(=O)Nc2ccccc2CC)cc1OC 6169011 SKDCVJNBELENMV-UHFFFAOYSA-N 333.815 4.562 0 40 EJAB Cc1nc2ccc(NC(=O)c3cnc(Cl)c(Cl)c3)cc2s1 7000048 PBAMGAYIJCDAJT-UHFFFAOYSA-N 338.219 4.559 0 40 EJAB C[C@@H](OC(=O)c1cc(Cl)c(O)c(Cl)c1)c1ccc(F)cc1 7780416 JQFYHJGWSTXDRI-MRVPVSSYSA-N 329.154 4.756 0 40 EJAB O=C(Nc1nccs1)c1ccccc1-c1ncc(-c2ccccc2)o1 8007643 UUITVTSNHYZFNM-UHFFFAOYSA-N 347.399 4.717 0 40 EJAB CC(=O)c1c(C)[nH]c(C(=O)CSc2ccc(F)c(Cl)c2)c1C 8403903 ZFEBRNQAMACSMU-UHFFFAOYSA-N 339.819 4.602 0 40 EJAB O=C(NC1CC1)c1oc2ccccc2c1CSC1CCCCC1 14241100 BNYLTLDSYZSYTO-UHFFFAOYSA-N 329.465 4.891 0 40 EJAB CNC(=S)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 16189331 ALVWMJQTFGQNEP-UHFFFAOYSA-N 340.395 4.812 0 40 EJAB C[C@H]1CCCN(Cc2ccc(C(=O)N3c4ccccc4C[C@@H]3C)cc2)C1 20458567 VOQPZMDYLYAFEW-ROUUACIJSA-N 348.490 4.510 0 40 EJAB Cc1ccc(Nc2cc(C)nc3c(-c4ccc(F)cc4)cnn23)cc1 21798975 WLQRSFSJLCLWBF-UHFFFAOYSA-N 332.382 4.896 0 40 EJAB Cc1c(Cl)cccc1NC(=O)c1cc2cc(Cl)ccc2oc1=O 27529575 JDYXNOUSBGFNHA-UHFFFAOYSA-N 348.185 4.661 0 40 EJAB CSc1ccc(Cl)c(C(=O)Nc2nc(-c3ccc[nH]3)cs2)c1 29351835 GWEUYQBTQWLBCK-UHFFFAOYSA-N 349.868 4.766 0 40 EJAB Cc1cc(O)c(NC(=O)c2ccc(OCc3ccccc3)cc2)cc1C 32204112 KHJHQHFBBBYCPS-UHFFFAOYSA-N 347.414 4.840 0 40 EJAB C[C@@H](NC(=O)c1ccc(C(=O)c2ccccc2)cc1)c1ccccc1F 32983379 CRHIITCFFVEFML-OAHLLOKOSA-N 347.389 4.548 0 40 EJAB Cc1nccn1Cc1ccc(C(=O)Nc2ccccc2C(C)C)cc1 38856760 GUQHYZCJKRGPRN-UHFFFAOYSA-N 333.435 4.616 0 40 EJAB CCCCCc1ccc(C(=O)c2ccc(C3OCCO3)s2)cc1 43210423 IHJXWFSXWLVARW-UHFFFAOYSA-N 330.449 4.757 0 40 EJAB O=C(CSCc1ccccc1F)Nc1cccc2ccccc12 58685596 WDDAZAWNARNJKW-UHFFFAOYSA-N 325.408 4.851 0 40 EJAB CCCC(C)(C)NC(=O)c1sc(COc2ccc(C)cc2)nc1C 65406024 MEWUFYPKMCFZSL-UHFFFAOYSA-N 346.496 4.647 0 40 EJAB CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCCN1)C1CCCCC1 72215724 SYRHVDDEAHBWMH-KRWDZBQOSA-N 345.487 4.580 0 40 EJAB CCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CC1CCCCC1 76556356 ZTQZQCQCVFQHNE-LJQANCHMSA-N 339.483 4.690 0 40 EJAB CC(C)(C)C(=O)N1N=C(c2ccco2)C[C@@H]1c1ccc(Cl)cc1 89621220 YISOEYBSRRZHDL-OAHLLOKOSA-N 330.815 4.657 0 40 EJAB CC[C@H](C)[C@H](CSC(F)(F)F)NC(=O)OCc1ccccc1 95918488 IAHBOUIYIJQXRM-AAEUAGOBSA-N 335.391 4.581 0 40 EJAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H](C)c1ccc(F)cc1 113970671 CPIWGPKRMZUKBI-SCLBCKFNSA-N 349.833 4.822 0 40 EJAB Fc1cccc(-c2nc3cc(Cl)cc(Br)c3[nH]2)c1 216914395 DJHBXSLRJLPJMW-UHFFFAOYSA-N 325.568 4.785 0 40 EJAB CC[C@H](Oc1ccc(F)cc1)C(=O)N[C@H](CC)c1ccc(C)cc1C 219328282 OEBQUHRLKNAHJR-UXHICEINSA-N 343.442 4.867 0 40 EJAB CC[C@H](Oc1ccccc1C)C(=O)N[C@H](C)c1cc(C)c(C)cc1C 223464931 MWNVQEJNAUOADR-QUCCMNQESA-N 339.479 4.955 0 40 EJAB O=C(C1c2ccccc2Oc2ccccc21)N1CCC(=C2CC2)CC1 238904404 RTFDVNHLHRWGOI-UHFFFAOYSA-N 331.415 4.637 0 40 EJAB O=C(NCC1(c2ccsc2)CC1)Nc1ccc(Cl)c(Cl)c1 1889046115 BABXOSJSUVJOJR-UHFFFAOYSA-N 341.263 4.908 0 40 EJAB O=C(Nc1cc2c(s1)CCCC2)c1ccc(Br)cc1 78130 UFRYUFPBODUHIF-UHFFFAOYSA-N 336.254 4.642 0 40 EJAB CCc1ccccc1-n1ncc(C(=O)Nc2ccc(C)c(C)c2)c1C 1018245 GCOLBRSSTIUJIR-UHFFFAOYSA-N 333.435 4.612 0 40 EJAB CCCCc1cc(=O)oc2c3c(ccc12)OCN(c1ccc(C)cc1)C3 2116682 GOZYOVIMOJMIHS-UHFFFAOYSA-N 349.430 4.801 0 40 EJAB biogenic CC(C)n1c(NCc2ccc(Br)cc2)nc2ccccc21 2478054 AFLSJFCCDCGEOU-UHFFFAOYSA-N 344.256 4.992 0 40 EJAB Cc1nc(NCc2cccnc2)c2cc(-c3ccccc3)sc2n1 2623193 XNBSFOPGTNDOII-UHFFFAOYSA-N 332.432 4.674 0 40 EJAB O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccc(CSc2ccccc2)cc1 4363176 RQTSUNXDAHITAQ-ILZDJORESA-N 337.488 4.897 0 40 EJAB CCn1c2cc(C)c(C)cc2n2c(C(C)=O)c(-c3ccccc3)nc12 5285513 PUCPAIWYMOPHLN-UHFFFAOYSA-N 331.419 4.795 0 40 EJAB CCCN1C(=O)S/C(=C/c2ccc(Sc3ccccc3)o2)C1=O 6657331 RAPHZAVQGASRGW-SDNWHVSQSA-N 345.445 4.877 0 40 EJAB c1ccc2oc(CSc3nnc(-c4c[nH]c5ccccc45)o3)nc2c1 8540622 RWVTXLYTAWQOAM-UHFFFAOYSA-N 348.387 4.651 0 40 EJAB COc1ccc(/C=C(/C(=O)N(C)c2ccccc2)c2ccccc2)cc1 10285071 BSVWWUZNJDMBLJ-OQKWZONESA-N 343.426 4.899 0 40 EJAB O=C(CCCc1nc2ccccc2s1)NC1CCCCCCC1 15080986 ZNVNBAMZPBHQEV-UHFFFAOYSA-N 330.497 4.848 0 40 EJAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2cccc(Cl)c2C)c1 20484765 LXJCYQNULPCSHL-OAHLLOKOSA-N 331.843 4.980 0 40 EJAB CC[C@@H](C)c1ccc(NC(=O)C[C@@H](C(=O)O)c2ccc(F)cc2)cc1 25206313 UIRARYZNPMYLGD-FZKQIMNGSA-N 343.398 4.536 0 40 EJAB O=C(CCc1cccc(Cl)c1Cl)NCC1(c2ccccc2)CC1 31715093 CFGPJKXXMVJCTL-UHFFFAOYSA-N 348.273 4.774 0 40 EJAB C[C@@H]1Cc2ccccc2N1C(=O)CCCc1nc2ccccc2s1 32975290 OKBCMTRXLHKDOX-CQSZACIVSA-N 336.460 4.597 0 40 EJAB Cc1c(-c2ccccc2)nc2c(c(C)c(C)n2-c2ccccn2)c1N 40268973 WFHJYLDUDZMBHH-UHFFFAOYSA-N 328.419 4.595 0 40 EJAB C[C@H](N[C@@H](C)c1ccc(Cl)cc1Cl)c1nc(C2CC2)no1 51535223 GNWHGLIPKBYPLA-IUCAKERBSA-N 326.227 4.666 0 40 EJAB Cc1ncc(C(=O)Nc2ccc(Oc3ccc(C)c(C)c3)nc2)s1 63475708 ONWXBVSWFAZUJD-UHFFFAOYSA-N 339.420 4.508 0 40 EJAB CCCCN1CCCC[C@@H]1c1ccc(N(C)C(=O)OC(C)(C)C)nc1 72214462 ONFCVLSVIBXOBE-QGZVFWFLSA-N 347.503 4.780 0 40 EJAB O=C(Nc1c(F)cccc1NC1CC1)c1cc(F)c(F)cc1Cl 89768182 BKXTVLXSGRRKGN-UHFFFAOYSA-N 340.732 4.584 0 40 EJAB CC[C@H](NC(=O)CCc1ccc(C)c(C)c1)c1ccc(OC)c(C)c1 223210716 XKLBPJZFPQOTTG-FQEVSTJZSA-N 339.479 4.821 0 40 EJAB Cc1cccc(OCCNC(=O)CCc2cccc3ccccc23)c1C 223961567 AJBPBRKYAKJXNE-UHFFFAOYSA-N 347.458 4.584 0 40 EJAB C/C(=C\c1ccccc1OC(=O)/C=C/c1ccc(Cl)cc1)[N+](=O)[O-] 408526559 DQLKNNLQUMGANT-OWKCIBLPSA-N 343.766 4.596 0 40 EJAB Cc1ccccc1C(=O)NCc1cnc(-c2ccc(Cl)cc2)s1 570101069 AXPFXERRTQPIDX-UHFFFAOYSA-N 342.851 4.702 0 40 EJAB Cc1cccc(-n2c(-c3ccccc3C)nc3ccccc3c2=O)c1 186965 AVTASMGYFDLSFV-UHFFFAOYSA-N 326.399 4.670 0 40 EJAB COc1ccc([C@@H]2N(C)c3ccccc3-c3nc4ccccc4n32)cc1 203615 GGXWQBHCDCLJPB-JOCHJYFZSA-N 341.414 4.709 0 40 EJAB Cc1nn2c(N)c(-c3ccccc3)cnc2c1-c1ccc(Cl)cc1 208690 PKERGKGJACRDCQ-UHFFFAOYSA-N 334.810 4.607 0 40 EJAB Cc1cccc(C(=O)Nc2scc(-c3ccccc3)c2C(=O)O)c1 348433 FNQXPIAFGXVYBW-UHFFFAOYSA-N 337.400 4.674 0 40 EJAB O[C@@H](CNc1cccc2ccccc12)COc1ccc2ccccc2c1 504436 FVIDRQIFCFSYNT-FQEVSTJZSA-N 343.426 4.845 0 40 EJAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ccccc1Br 514146 LWYHWMXTHNDDEY-JXMROGBWSA-N 336.616 4.754 0 40 EJAB CC(C)N(C[C@H](c1ccccc1)[C@](C)(O)c1ccccc1)C(C)C 1670730 PKBJERGOXGFAOR-FGZHOGPDSA-N 325.496 4.797 0 40 EJAB Cc1n[nH]c(C)c1Sc1ccccc1NC(=O)c1ccc(F)cc1 3222736 CQKJXNHAHDDPAI-UHFFFAOYSA-N 341.411 4.569 0 40 EJAB CC(C)(C)c1nn(-c2ccc(Cl)cc2)c2nc(Cl)c(C=O)cc12 5059297 QCSQWNIDNMTHAW-UHFFFAOYSA-N 348.233 4.837 0 40 EJAB COc1ccc(CCC(=O)NC(c2ccccc2)c2ccccc2)cc1 5461991 BFTVPSWGFNCKPW-UHFFFAOYSA-N 345.442 4.534 0 40 EJAB Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C\C=C\c2ccco2)S1 8277379 RYCQREOJFQOZDG-XNWLVXFCSA-N 344.823 4.689 0 40 EJAB CCc1nc(Nc2ccc(OC)cc2OC)c2oc3ccccc3c2n1 9328145 YYTACVNAVQNXMY-UHFFFAOYSA-N 349.390 4.699 0 40 EJAB Cc1coc(C)c1C(=O)Nc1ncc(Cc2ccc(Cl)cc2)s1 9763965 LMMJQDUDLNXQKP-UHFFFAOYSA-N 346.839 4.849 0 40 EJAB COc1cc(CC(=O)Nc2ccccc2-c2ccccc2)ccc1C 10411970 IUZGCQYMDPRPRN-UHFFFAOYSA-N 331.415 4.852 0 40 EJAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1 10463966 YJBXXJNJRQAFNQ-UHFFFAOYSA-N 327.236 4.645 0 40 EJAB CC(C)(C)c1ccc(N[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)cc1 11153132 FVIDPQKUWWZBIG-LJQANCHMSA-N 340.442 4.555 0 40 EJAB CC(C)n1ncc2cc(NC(=O)Nc3cccc4ccccc34)cnc21 12927855 NZLNBOSOKXVPFC-UHFFFAOYSA-N 345.406 4.809 0 40 EJAB O=C(CSc1nc(-c2ccccc2)cs1)c1ccc(F)cc1 26040044 UYWKMPZUYZLFEY-UHFFFAOYSA-N 329.421 4.924 0 40 EJAB C[C@@H](NC(=O)c1cc2ccccc2[nH]1)c1ccc(C(F)(F)F)cc1 30477667 ODLRLIUPBXUZOO-LLVKDONJSA-N 332.325 4.678 0 40 EJAB COC(=O)c1cccc(CSCc2csc(-c3ccco3)n2)c1 31421199 ONNGYQXTMDMWSS-UHFFFAOYSA-N 345.445 4.623 0 40 EJAB O=C(Nc1cccc2cccnc12)c1cc(Cl)cc2cccnc12 40156676 BXMAPIIRZBVTFV-UHFFFAOYSA-N 333.778 4.689 0 40 EJAB Cc1cc(C(=O)CCC(=O)N2CCC[C@H]2c2ccsc2)c(C)s1 48234179 ZIDBFARDHLYIMB-INIZCTEOSA-N 347.505 4.753 0 40 EJAB CNc1nc2c(s1)[C@H](c1cccc(Cl)c1Cl)CC(O)=N2 61719912 DFAFZNZFCNCWPC-ZETCQYMHSA-N 328.224 4.615 0 40 EJAB CCC(=O)c1cccc(NC(=O)c2oc3ccc(F)cc3c2C)c1 82087361 SCPOUVFOBUXLMZ-UHFFFAOYSA-N 325.339 4.725 0 40 EJAB CC1(C)CC2=Nc3ncnn3[C@@H](c3ccc4ccccc4c3)C2=C(O)C1 102895336 IDDCOCOVEJLLCY-IBGZPJMESA-N 344.418 4.739 0 40 EJAB COc1cccc(-c2nc3cc(Cl)cc(Br)c3[nH]2)c1 216917100 SUGADCMSQXAMOF-UHFFFAOYSA-N 337.604 4.654 0 40 EJAB Cc1ccc(CCCNC(=O)[C@H](C)Oc2cccc3ccccc23)cc1 219040140 FJDTWJLUXHTICB-SFHVURJKSA-N 347.458 4.665 0 40 EJAB CC[C@H](NC(=O)[C@@H](C)Oc1cccc(C)c1C)c1ccc(C)cc1C 219310839 MOVLIJGNLDLTMS-QUCCMNQESA-N 339.479 4.955 0 40 EJAB CC(C)(C)c1ccc(OCCNC(=O)c2ccc(Cl)cc2F)cc1 225182438 WVBOYKAWTNSBBW-UHFFFAOYSA-N 349.833 4.585 0 40 EJAB Cc1cccc(NC(=S)N[C@H](C)c2ccc(C(C)(C)C)cc2)n1 225408921 SNQCHQBTNDAMFK-CQSZACIVSA-N 327.497 4.735 0 40 EJAB C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1ccnn1C1CCCC1 330051892 OEMBLWCOAFGYJQ-CQSZACIVSA-N 337.423 4.578 0 40 EJAB COc1ccc(NC(=O)c2sc(Cl)nc2-c2ccccc2)cc1 385379 ZDHHPVIHKYAPSO-UHFFFAOYSA-N 344.823 4.724 0 40 EJAB Cc1cccc(N[C@@H](c2ccncc2)c2c(C)[nH]c3ccccc23)n1 506044 JYQCTUFIGLSXKN-NRFANRHFSA-N 328.419 4.776 0 40 EJAB COc1ccccc1[C@@H]1Nc2ccc(C)cc2[C@@H](OC(C)=O)C1(C)C 806061 WTDLANROZLFVCV-VQTJNVASSA-N 339.435 4.801 0 40 EJAB CC(C)[C@@H]1C[C@](CCNCc2ccco2)(c2ccccc2)CCO1 1774069 UMCUDUUEJCLEGK-LEWJYISDSA-N 327.468 4.532 0 40 EJAB biogenic COP(=O)(OC)[C@H](Nc1cccc(Cl)c1)c1ccccc1 2300444 QNIVWWMRMHCXRW-HNNXBMFYSA-N 325.732 4.937 0 40 EJAB Cc1ccc(S(=O)(=O)Oc2ccc3oc4ccccc4c3c2)cc1 2694673 UZXDRNCQBNKBOI-UHFFFAOYSA-N 338.384 4.662 0 40 EJAB O=C(Nc1cccc(-c2nc3cccnc3s2)c1)c1ccccc1F 2961430 VDTNXXNVWLQJIU-UHFFFAOYSA-N 349.390 4.750 0 40 EJAB O=C(OCc1csc(-c2ccccc2)n1)c1ccc2ccccc2n1 3220229 IWWWMQQIEHHFMQ-UHFFFAOYSA-N 346.411 4.715 0 40 EJAB CC(C)CCC[C@H](C)NC[C@@H](O)COc1cc(Cl)ccc1Cl 3418381 ODGZLHOIZGXATR-DZGCQCFKSA-N 348.314 4.538 0 40 EJAB COc1cc(Cl)c(C)cc1NC(=O)c1csc2c1CCCC2 3476811 HJQIMZVYMWFBTF-UHFFFAOYSA-N 335.856 4.850 0 40 EJAB O=C(Nc1c[nH]c2ccccc12)N1CCC(Cc2ccccc2)CC1 5299803 DXDKHTLJCZHUFR-UHFFFAOYSA-N 333.435 4.655 0 40 EJAB O=C(Nc1ccc(C(=O)OC2CCCCC2)cc1)c1cccc(F)c1 5816429 FDINWBZTUSQSHV-UHFFFAOYSA-N 341.382 4.568 0 40 EJAB Cc1ccc(SCC(=O)NCc2ccc(Cl)cc2Cl)cc1 6284493 KTHILSJSPWTYHB-UHFFFAOYSA-N 340.275 4.710 0 40 EJAB O=C(Cc1c[nH]c2ccccc12)N(Cc1ccccc1)Cc1ccco1 6670693 MBHNXNGVILIOMI-UHFFFAOYSA-N 344.414 4.532 0 40 EJAB Cc1cc(C)nc(NC(=O)c2c(-c3ccccc3Cl)noc2C)c1 6796487 HUAYQTCZKZHGAC-UHFFFAOYSA-N 341.798 4.568 0 40 EJAB CN(C(=O)/C=C/c1nc2ccccc2o1)c1ccc2ccccc2c1 8229653 VZTSOZSBSYWBRH-OUKQBFOZSA-N 328.371 4.657 0 40 EJAB CC[C@@H](C)NCc1cc(Br)ccc1OCc1ccccc1 8325936 RMJKPJMVNJRAJD-CQSZACIVSA-N 348.284 4.916 0 40 EJAB COc1cc(CNC2CCCCC2)ccc1OCc1cccs1 8472329 QIMDLRXFDBKDIQ-UHFFFAOYSA-N 331.481 4.758 0 40 EJAB Cc1cc(S(=O)(=O)Oc2ccc3ccccc3c2)ccc1Cl 11613892 XFDVDEGMKNIQSO-UHFFFAOYSA-N 332.808 4.569 0 40 EJAB Cc1ccc(-c2cnc(CCC(=O)Nc3ccc(F)cc3)o2)cc1C 13001644 ALTIWIAEVHYEHW-UHFFFAOYSA-N 338.382 4.669 0 40 EJAB CCSc1ccc(NC(=O)[C@@H](C)Sc2ccccc2N)s1 13579069 XRUJXSBDTCOVMF-SNVBAGLBSA-N 338.523 4.562 0 40 EJAB O=C(c1c[nH]c2ccccc12)N1CCC[C@H]1c1nc2ccccc2s1 14142391 OECFZRKXINWIKA-KRWDZBQOSA-N 347.443 4.755 0 40 EJAB Cc1cccc(NC(=O)Cc2sc(C)nc2-c2cccs2)c1 15840132 IBPATPLMHBRWAM-UHFFFAOYSA-N 328.462 4.670 0 40 EJAB Cc1c(Cl)cccc1NC(=O)c1cc(F)ccc1Br 19197949 QLAAZKQBFJXHDU-UHFFFAOYSA-N 342.595 4.802 0 40 EJAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(Cl)c(N)c1 19736541 WAEGDHOLAIYUFJ-LBPRGKRZSA-N 346.858 4.626 0 40 EJAB CCc1cc(=O)oc2c(C)c3c(cc12)CN([C@@H](C)c1ccccc1)CO3 20609842 WWJFFTLQBPNILR-HNNXBMFYSA-N 349.430 4.577 0 40 EJAB biogenic Fc1ccccc1-c1ccc(CNCCc2c[nH]c3ccccc23)o1 22076485 CLFXMBIFKZTABY-UHFFFAOYSA-N 334.394 4.899 0 40 EJAB CC[C@H](NC(=O)CSCc1ccc(C)cc1)c1ccc(OC)cc1 22535013 DWEULURGOSRWFL-IBGZPJMESA-N 343.492 4.504 0 40 EJAB CCc1nc2ccc(C(=O)N(CC)c3ccccc3C)cc2nc1CC 22993840 CQZPAXDSHFZKNB-UHFFFAOYSA-N 347.462 4.730 0 40 EJAB Cc1ccccc1C(=O)n1c(-c2ccc(F)cc2)nc2ccccc21 28540278 YTYSYBHHOMZAEK-UHFFFAOYSA-N 330.362 4.839 0 40 EJAB Cc1ccccc1O[C@H](C)C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 38773028 PFJNIQZVOLMRBV-DLBZAZTESA-N 339.479 4.937 0 40 EJAB Cc1ccccc1-n1cnnc1S[C@H](C)c1ccc(F)cc1F 59926756 SACGOCDHAIMDKP-GFCCVEGCSA-N 331.391 4.707 0 40 EJAB C[C@H](N[C@@H](c1ccc(Cl)cc1)C1CC1)c1ccc([S@](C)=O)cc1 89904898 AUECQLRHFAMZEW-DOYUUMQYSA-N 347.911 4.879 0 40 EJAB CC(C)(C)n1cc(CNc2cccc(C3SCCS3)c2)cn1 95428615 FENYKSGMCGJKPR-UHFFFAOYSA-N 333.526 4.729 0 40 EJAB COc1ccc(SC)c(OC)c1C(=O)Nc1ccc(C(C)C)cc1 95986500 WVAXYGNHAPOXGQ-UHFFFAOYSA-N 345.464 4.801 0 40 EJAB C[C@@H](Sc1ncc[nH]1)c1nnc(-c2ccc(Cl)cc2Cl)o1 96465975 JDZFOHWHHRUGKB-SSDOTTSWSA-N 341.223 4.620 0 40 EJAB CCc1cccc(C)c1NC(=O)c1ccc(Cn2nc(C)cc2C)cc1 148105942 WFUVAMDOXGTTIG-UHFFFAOYSA-N 347.462 4.671 0 40 EJAB CCCOCc1cc(C(=O)NCCC2=CCCCC2)ccc1OCC 224703002 GJZAQLBYFSKORJ-UHFFFAOYSA-N 345.483 4.632 0 40 EJAB C[C@@H](Cc1cccc2ccccc12)C(=O)NCCc1ccc(F)cc1 224941627 LTMPEKUUETVKRM-INIZCTEOSA-N 335.422 4.516 0 40 EJAB Cc1cc(N)cc(Cl)c1NC(=O)c1ccc(-c2ccc(F)cc2)o1 226756129 DRJBJRGOABIWSZ-UHFFFAOYSA-N 344.773 4.882 0 40 EJAB Cc1ccc(NC(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)cc1N 226764641 KDWJUYKLFMFILK-UHFFFAOYSA-N 344.773 4.882 0 40 EJAB O=C(CCc1cccc(Cl)c1)NCc1ccc(-c2ccoc2)cc1 390830670 MPGHGXWZVOIUIY-UHFFFAOYSA-N 339.822 4.849 0 40 EJAB C[C@]12CC[C@@H]3[C@H](CC[C@@]4(C)C[C@@H]5O[C@@H]5C[C@]34C)[C@H]1CCC21OCCO1 627261429 RCRKFBWQIMSUOE-JESRMXDLSA-N 346.511 4.540 0 40 EJAB C[C@@H](NC(=O)c1ccccc1-n1cccc1)c1cccc(C2CC2)c1 1523590424 KQCOQQWZEDERJT-MRXNPFEDSA-N 330.431 4.846 0 40 EJAB O=C1O[C@H](Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc21 91751 VOPMSINZACOUJY-ZDUSSCGKSA-N 327.689 4.640 0 40 EJAB COc1ccc(-c2nc3ccc(Cl)cn3c2NC(C)(C)C)cc1O 411928 OWRGSIOYQXTIMR-UHFFFAOYSA-N 345.830 4.579 0 40 EJAB CCc1cc2ccc(C)cc2nc1SCC(=O)Nc1ccccc1 413639 UQWPBVKANYUJDQ-UHFFFAOYSA-N 336.460 4.836 0 40 EJAB Cc1ccc(NC(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)cc1 1016832 GJFMVVDKMYZIOG-MRXNPFEDSA-N 335.363 4.564 0 40 EJAB O=C(NCc1cccc(C(F)(F)F)c1)c1cc(Cl)cc(Cl)c1 1405259 UYBDXNMNFTUYIP-UHFFFAOYSA-N 348.151 4.942 0 40 EJAB Cc1nc(C(F)(F)F)c(C(=O)N[C@H](C)c2ccc(Cl)cc2)s1 3047038 YKCSZJDOGLOBFD-SSDOTTSWSA-N 348.777 4.615 0 40 EJAB Cc1cccc(Oc2ccc(OCC(=O)Nc3ccccc3)cc2)c1 3097107 BZOYLXOAPDZOQB-UHFFFAOYSA-N 333.387 4.805 0 40 EJAB O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)[C@H]1C[C@H]2CC[C@@H]1C2 4109610 NWMIBZXECKEBCV-SUHUHFCYSA-N 332.856 4.838 0 40 EJAB CCc1nc(Nc2ccc(C(C)=O)cc2)c2oc3ccccc3c2n1 5249720 JTMNEBASGLVRPT-UHFFFAOYSA-N 331.375 4.885 0 40 EJAB O=C(Nc1ccc(Cl)cc1Cl)C(F)(F)Oc1ccccc1 5684188 LZJXYIYLXOWWCN-UHFFFAOYSA-N 332.133 4.604 0 40 EJAB COc1ccc(C)cc1NC(=O)CCCOc1ccc(Cl)c(C)c1 5701420 HKRIULIXVYGRIT-UHFFFAOYSA-N 347.842 4.763 0 40 EJAB Cc1ccccc1-n1c(=S)[nH]c2sc3c(c2c1=O)CCCCC3 6017072 NEMJIHVLDYYUSY-UHFFFAOYSA-N 342.489 4.687 0 40 EJAB Cc1cc(C)c(C)c(S(=O)(=O)Nc2cccc3ccccc23)c1C 6316947 ILYWIYKUKUYDIX-UHFFFAOYSA-N 339.460 4.874 0 40 EJAB COCc1c(C(=O)Nc2ccc(F)cc2)sc2cccc(F)c12 6788963 KFNWFTIUGUKORV-UHFFFAOYSA-N 333.359 4.578 0 40 EJAB COc1ccccc1-c1noc(CSc2ccc3ccccc3n2)n1 6984484 UIDCBWOTXRQXKR-UHFFFAOYSA-N 349.415 4.586 0 40 EJAB Oc1cccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cccs2)c1 11024036 OVPLERFNBCIBAQ-YLJYHZDGSA-N 348.427 4.696 0 40 EJAB CC[C@H](C)[C@H](C(=O)Nc1cc(OC)c(OC)cc1C)c1ccccc1 12808898 QMHROLAQNAHCLC-XOBRGWDASA-N 341.451 4.781 0 40 EJAB O=C(CCSCc1cccc(F)c1)Nc1ccc2c(c1)CCC2 13015586 UUHJCMYUWAEHAO-UHFFFAOYSA-N 329.440 4.576 0 40 EJAB Cc1onc(-c2ccccc2)c1C(=O)N[C@@H](C)c1ccccc1Cl 13137706 HCYTXADPDNOAPQ-LBPRGKRZSA-N 340.810 4.794 0 40 EJAB CC(C)CSc1nc2ccccc2c2nc(-c3ccccc3)nn12 13640138 FVTQMZPBJOTKFA-UHFFFAOYSA-N 334.448 4.693 0 40 EJAB O=C(Nc1cccc2cccnc12)c1ccc(-c2ccccc2F)o1 14125148 IBEMTKKIOJMDFD-UHFFFAOYSA-N 332.334 4.886 0 40 EJAB COc1ccc2cc(/C=C/C(=O)N[C@@H](C)c3cccs3)ccc2c1 14938218 IGRQZYZRTFOHSI-XYYIANASSA-N 337.444 4.801 0 40 EJAB O=C(Nc1ccc(Cl)cn1)c1ccc(-c2ccccc2Cl)o1 26860348 YRQZMLCRFDFGTG-UHFFFAOYSA-N 333.174 4.901 0 40 EJAB NC(=O)/C(=C/c1ccc(Cl)cc1Cl)c1nc2ccccc2s1 33368975 WMLNQKREFJFAQC-XFFZJAGNSA-N 349.242 4.629 0 40 EJAB S=C(Nc1ccc2ccccc2c1)N(Cc1cccnc1)C1CC1 44058206 USHSHWNKAWLVAZ-UHFFFAOYSA-N 333.460 4.596 0 40 EJAB CCCc1ccc(C(=O)N(Cc2ccsc2)CC(F)(F)F)cc1 44447496 YWRSAHBGPSHDSW-UHFFFAOYSA-N 341.398 4.905 0 40 EJAB COc1ccc([C@@H](C)NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1 44883168 ALJBYPSDZLNYJN-OLZOCXBDSA-N 349.883 4.707 0 40 EJAB Cc1ccc(-c2cc(-c3nc(-c4ccccc4C)no3)[nH]n2)cc1C 46914195 IXTMLWGXDDUXKX-UHFFFAOYSA-N 330.391 4.719 0 40 EJAB CC[C@H](C)Nc1ncccc1[C@@H]1CCCCN1C(=O)c1ccccc1 72213458 NQWMDAWPOCWPBD-LPHOPBHVSA-N 337.467 4.659 0 40 EJAB CCn1cc(CC(=O)Nc2ccccc2C(F)(F)F)c2ccccc21 72278343 VZNXMEIWEMEEOI-UHFFFAOYSA-N 346.352 4.861 0 40 EJAB COc1ccc([C@H]2CCCCN(C(=O)/C=C/c3ccccc3)C2)cc1 208003480 MDYYPEMNGFDLAX-XIJQHFHMSA-N 335.447 4.505 0 40 EJAB CC[C@H](Oc1ccc(F)cc1)C(=O)N[C@@H](CC)c1ccc(C)c(C)c1 219328191 MHMSYNNCYQEBOB-PMACEKPBSA-N 343.442 4.867 0 40 EJAB CCC1(CC)C[C@@H](NC(=O)c2ccccc2OC)c2ccccc2O1 223602314 DEBIVEISFYWAAL-QGZVFWFLSA-N 339.435 4.508 0 40 EJAB CCOC(=O)c1c(C(F)F)c2ccccc2n1C(=O)OC(C)(C)C 225737200 DJAWFSDNFKNKIF-UHFFFAOYSA-N 339.338 4.539 0 40 EJAB CCOC(=O)c1cc(-c2ccc3ccccc3c2)n(-c2ccccc2)n1 408727888 YQRVIUUHCHMNFS-UHFFFAOYSA-N 342.398 4.869 0 40 EJAB C[C@@]1(C2CCCCC2)CCN1C(=O)C1CC(c2ccc(F)cc2)C1 1558070220 HHOIXHXRCYPXID-BPZDKFOGSA-N 329.459 4.891 0 40 EJAB Cc1ccc(NC(=O)N(C2=NC[C@H](C)S2)c2ccc(C)cc2)cc1 135403 FPTDJZLMDXYEHJ-HNNXBMFYSA-N 339.464 4.833 0 40 EJAB CC(C)(C)c1ccc(OC(=O)c2ccccc2Br)cc1 143331 ZGPKJDJYRAADOG-UHFFFAOYSA-N 333.225 4.966 0 40 EJAB CCc1sc(-c2cc3ccc(O)cc3oc2=O)nc1-c1ccccc1 319112 QIWLCJDOTYZWAH-UHFFFAOYSA-N 349.411 4.852 0 40 EJAB Cc1ccc(Nc2nc(NCc3ccco3)c3ccccc3n2)cc1 459089 QSFYOSRVGYLIAE-UHFFFAOYSA-N 330.391 4.887 0 40 EJAB CC(C)(C)c1ccc(-c2nn3c(-c4ccccc4)nnc3s2)cc1 2240494 DZTCFCARTVTHFJ-UHFFFAOYSA-N 334.448 4.817 0 40 EJAB COc1ccc(Cl)cc1-c1n[nH]c(SCc2cccc(F)c2)n1 3533790 UVBQAEAOIWFZGH-UHFFFAOYSA-N 349.818 4.565 0 40 EJAB COc1nc2c(C)cccc2cc1-c1noc(-c2ccc(C)cc2)n1 4383817 LSVAEOLDGLFLMU-UHFFFAOYSA-N 331.375 4.577 0 40 EJAB CC(C)(C)N(Cc1ccccc1)C(=O)c1ccccc1Br 4550356 YMKOOZUSTFAMIJ-UHFFFAOYSA-N 346.268 4.890 0 40 EJAB Cc1cccc(CSCC(=O)N[C@H](C)c2ccccc2Cl)c1 6648229 RJHWCUHRQJJCMR-CQSZACIVSA-N 333.884 4.759 0 40 EJAB FC(F)(F)c1ccccc1CSc1nncn1-c1ccccc1 7782137 CFUMAYNYNCWCKZ-UHFFFAOYSA-N 335.354 4.578 0 40 EJAB CCOc1ccc(CN[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1OC 8324714 DDHLGWJQGGGODY-PFAOJVKKSA-N 343.511 4.788 0 40 EJAB CCc1oc2ccccc2c1CN(C)C(=O)Cc1c[nH]c2ccccc12 8327800 JLAZIWQWPBFPEO-UHFFFAOYSA-N 346.430 4.678 0 40 EJAB Cc1cc(Nc2ccc3c(=O)c(Oc4ccccc4)c(C)oc3c2)no1 8721113 NBFVQGYYKOATDI-UHFFFAOYSA-N 348.358 4.934 0 40 EJAB CC[n+]1ccc(/C=C/c2c[nH]c3ccc(OC)cc23)c2ccccc21 8767900 JFOUZWIMCFWAHD-UHFFFAOYSA-O 329.423 4.808 0 40 EJAB CN(C(=O)CSCc1c(Cl)cccc1Cl)c1ccccc1 10285100 HXEOGRBUODPRIR-UHFFFAOYSA-N 340.275 4.890 0 40 EJAB Cc1nc2cc(N[C@@H](C)C(=O)Nc3ccc(C(C)C)cc3)ccc2o1 12536562 ZGVOQMRYVHINLS-ZDUSSCGKSA-N 337.423 4.699 0 40 EJAB Cc1ccccc1C(=O)NCc1ccc(-c2nc3ccccc3s2)o1 12808693 RGBZOGVKILIZHM-UHFFFAOYSA-N 348.427 4.795 0 40 EJAB C[C@@H](O)c1cccc(NC(=S)Nc2ccc(Cl)c(Cl)c2)c1 16576750 RDAXXZAPSGSSHR-SECBINFHSA-N 341.263 4.856 0 40 EJAB CCCCc1ccc(N2C(=O)CS[C@H]2c2ccccc2F)cc1 17198477 PNXSLLGWXJCXFQ-IBGZPJMESA-N 329.440 4.947 0 40 EJAB CCCCCNC(=O)c1ccc(CN2CCCc3ccccc32)cc1 20036642 VCRCXSNQCZMIGQ-UHFFFAOYSA-N 336.479 4.559 0 40 EJAB CCOc1ccc(-c2cc(C(=O)Oc3ccc(C)cc3C)no2)cc1 20896774 XLPWMWHAXLEYJJ-UHFFFAOYSA-N 337.375 4.576 0 40 EJAB COc1ccc(C)cc1CN(C)C(=O)c1cc(Cl)ccc1Cl 21557640 RRIMTUJKRYOQKV-UHFFFAOYSA-N 338.234 4.583 0 40 EJAB O=C(NCc1nc2ccccc2s1)c1cc2c(F)cccc2s1 21904837 QMQGJPJYJPJZAM-UHFFFAOYSA-N 342.420 4.580 0 40 EJAB Cc1cccc(C)c1NC(=O)c1cccnc1NCCc1ccccc1 22073096 WCLPKCACHXPIPH-UHFFFAOYSA-N 345.446 4.605 0 40 EJAB Cc1cccc(CCCNC(=O)[C@@H](C)Oc2ccccc2C(C)C)c1 30854658 VAQPDBKOFIMFAC-GOSISDBHSA-N 339.479 4.635 0 40 EJAB COc1ccc(C(=O)N[C@H](C)C(c2ccccc2)c2ccccc2)cc1 31383950 HUDXVPYXCHGUNO-QGZVFWFLSA-N 345.442 4.646 0 40 EJAB CC(C)CCN[C@@H]1c2ccccc2C(=O)N1[C@@H]1CCC[C@@H](C)[C@H]1C 36167303 BZJSNQIIXJXKDL-SMOSDQRPSA-N 328.500 4.601 0 40 EJAB Cc1ccc2c(CC(=O)N(C)Cc3ccc(F)cc3F)coc2c1C 36705530 WFEFPVGAFLEBBJ-UHFFFAOYSA-N 343.373 4.529 0 40 EJAB COc1ccc(N[C@@H](C)c2nc3ccccc3n2C(F)F)c(OC)c1 40086334 YZDNSKWSHIKLKF-NSHDSACASA-N 347.365 4.622 0 40 EJAB Cc1cccc(-c2noc(-c3cc(-c4ccc(Cl)cc4)n[nH]3)n2)c1 46913953 XSGTYSYOCBSWGN-UHFFFAOYSA-N 336.782 4.756 0 40 EJAB O=C(Nc1ccccc1Cl)N1CCCC[C@@H]1Cc1ccccc1 58160011 ZPKLGNLUKMGYCA-MRXNPFEDSA-N 328.843 4.969 0 40 EJAB COc1cccc(NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)c1 69634213 BNXBUVQSVUJHTI-HNNXBMFYSA-N 327.424 4.533 0 40 EJAB Cc1csc(SCc2cn3cc(Cl)cc(Cl)c3n2)n1 78720354 BRIRPWHUAMRHJO-UHFFFAOYSA-N 330.265 4.698 0 40 EJAB CC(C)(C)OC(=O)N1CCC[C@H]1c1ccc(Br)cc1 85210032 PZDPUQUIZKCNOF-ZDUSSCGKSA-N 326.234 4.521 0 40 EJAB C[C@@H]1Cc2ccccc2N(C(=O)c2ccc(Oc3cccnc3)cc2)C1 89941440 ZRDWDQRFABINIW-MRXNPFEDSA-N 344.414 4.713 0 40 EJAB CCOC(=O)/C(=C/c1ccc(OC)cc1)c1nc(C(C)C)c(C)s1 89978008 CCXURMJUEXTNFL-LFIBNONCSA-N 345.464 4.687 0 40 EJAB FC(F)(F)C(F)(F)CCCOc1ccccc1Br 98210652 HKXFPDMKVCXZFU-UHFFFAOYSA-N 333.094 4.806 0 40 EJAB CC1=C(C)C[C@@H]2C(=O)N(c3ccc(Oc4ccccc4)cc3)C(=O)[C@H]2C1 104732485 VWNRCICHKVIWDF-PMACEKPBSA-N 347.414 4.715 0 40 EJAB CC(C)c1ccccc1OCC(=O)NCc1ccc2ccccc2c1 222815068 CWOGSWVYHRWDSB-UHFFFAOYSA-N 333.431 4.658 0 40 EJAB Cc1ccccc1-c1nc2cc(N3Cc4ccccc4C3=O)ccc2o1 226286052 QYMDWNKCDKCYEC-UHFFFAOYSA-N 340.382 4.964 0 40 EJAB O=C(COCc1ccccc1)c1ccc(Br)cc1Cl 309884966 YNEPRTIFPPKRNR-UHFFFAOYSA-N 339.616 4.502 0 40 EJAB O=C(COCc1ccccc1)c1cc(OC(F)(F)F)ccc1Cl 390765493 HTOIGAFQGSPXJW-UHFFFAOYSA-N 344.716 4.638 0 40 EJAB O=C(/C=C/c1ccccc1Cl)Nc1ccccc1Br 579376 MJBZACNEYIZVSV-MDZDMXLPSA-N 336.616 4.754 0 40 EJAB CC(=O)N(Cc1ccco1)Cc1cc2cc(C)cc(C)c2nc1Cl 1367778 YVKTUHRQOGAQST-UHFFFAOYSA-N 342.826 4.647 0 40 EJAB Cc1ccc(-c2csc(-n3nc(-c4ccc(C)cc4)cc3N)n2)cc1 1415876 AESYQNAQPRDFCK-UHFFFAOYSA-N 346.459 4.862 0 40 EJAB O=C(CCCCCCCCc1ccc(O)cc1)c1c(O)cccc1O 1564958 KOAPDMKKECXPHX-UHFFFAOYSA-N 342.435 4.960 0 40 EJAB biogenic,in-vitro O=C(N[C@@H]1C[C@@H](c2ccccc2)Oc2ccccc21)c1ccccc1 1702583 NHBLIZLZYDJDKC-CTNGQTDRSA-N 329.399 4.682 0 40 EJAB COc1cccc(NC(=O)CCCOc2ccc(C(C)(C)C)cc2)c1 1773496 FDSJGSWZXPCEIX-UHFFFAOYSA-N 341.451 4.790 0 40 EJAB O=C(CCc1nc2ccccc2s1)Nc1ccc(F)c(Cl)c1 2645353 VRFIBJVJLNQPPB-UHFFFAOYSA-N 334.803 4.660 0 40 EJAB CCC(=O)NCCSc1c(-c2ccc(C)cc2)[nH]c2ccccc12 2721205 UGHRKFJFDVAMKI-UHFFFAOYSA-N 338.476 4.762 0 40 EJAB O=C(/C=C/c1cccs1)Oc1ccc(C(=O)c2ccccc2)cc1 3360739 WNYWBASLOJZMRF-OUKQBFOZSA-N 334.396 4.598 0 40 EJAB Cc1cccc(N2C[C@H](c3nc4ccccc4n3C(C)C)CC2=O)c1C 4033385 DHFNSUBLNUKUAM-QGZVFWFLSA-N 347.462 4.755 0 40 EJAB CCN(CC)CCNc1c2c(nc3ccccc13)-c1ccc(F)cc1C2 4542561 JMNPTIAPLYAUON-UHFFFAOYSA-N 349.453 4.699 0 40 EJAB CCC(C)(C)c1ccc(OCC(=O)Nc2cc(F)ccc2C)cc1 7776987 IHPJILJQNITUBX-UHFFFAOYSA-N 329.415 4.839 0 40 EJAB COc1ccc(Nc2nc3c(Cl)c(C)nn3c3ccccc23)cc1 7777836 HTCDWYHWZLKVQQ-UHFFFAOYSA-N 338.798 4.597 0 40 EJAB O[C@H](CNc1ncnc2scc(-c3ccccc3)c12)c1ccccc1 9882486 JQQZQWPVASXKRS-QGZVFWFLSA-N 347.443 4.504 0 40 EJAB CCC(CC)NC(=O)c1sc2nc(C(C)(C)C)nc(C)c2c1C 12859355 RMYYREQQWZIPPU-UHFFFAOYSA-N 333.501 4.524 0 40 EJAB Cc1ccc(N[C@@H](c2ccc(C(C)C)cc2)P(=O)(O)O)cc1F 12947541 QSVQBTGIFVSMHU-QGZVFWFLSA-N 337.331 4.546 0 40 EJAB O=C(CCc1ncc(-c2ccccc2)o1)Nc1cccc(Cl)c1 14136551 ZCELZNBTTFCQRQ-UHFFFAOYSA-N 326.783 4.566 0 40 EJAB COc1ccc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)c(OC)c1 15982768 LFNSFOKWTANMIP-UHFFFAOYSA-N 345.398 4.527 0 40 EJAB O=C(Cc1cccc(F)c1)Nc1cc(Cl)c(Cl)cc1Cl 19934892 JNBUOFIHWHCXBB-UHFFFAOYSA-N 332.589 4.967 0 40 EJAB C[C@@H](NC(=O)CCn1ccc2ccccc21)c1cccc(Cl)c1 21911595 QPWYUBZCSDOJQP-CQSZACIVSA-N 326.827 4.562 0 40 EJAB C[C@H](OC(=O)c1cccnc1Oc1ccccc1)c1ccc(F)cc1 23219558 ULJFSZGLDYRUIO-AWEZNQCLSA-N 337.350 4.931 0 40 EJAB C[C@@H](NC(=O)c1ccc(C(=O)c2ccccc2)cc1)c1cccc(F)c1 25063252 CICXCJIGXUDLBG-OAHLLOKOSA-N 347.389 4.548 0 40 EJAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N[C@H](C)CCc1ccccc1 30858034 JJGCBVKJPBICKJ-UYAOXDASSA-N 339.479 4.598 0 40 EJAB Fc1cc(CSc2nnc(-c3ccccc3)o2)c2ncccc2c1 31612556 LQINFEVNGSJGSJ-UHFFFAOYSA-N 337.379 4.716 0 40 EJAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCCc1cccc(C)c1 38756234 STYDRDOUHIEDTE-HXUWFJFHSA-N 339.479 4.518 0 40 EJAB Cc1cccc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)c1C 38835217 GEXVWLXTSMIYMU-UHFFFAOYSA-N 336.479 4.788 0 40 EJAB Cc1cc(C)c(S(=O)(=O)Oc2cc(C)c(Cl)c(C)c2)cc1C 41097129 SBXYDQVGVSSWOZ-UHFFFAOYSA-N 338.856 4.650 0 40 EJAB Cc1ccc(-c2nc(CN3CCC[C@H]3Cc3ccccc3)co2)cc1 48339854 CALUVDRRVGCHQW-NRFANRHFSA-N 332.447 4.857 0 40 EJAB CCC[C@@H](C(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C)c1ccccc1 49649854 QCEWAJPRXDIRDG-YLJYHZDGSA-N 349.478 4.960 0 40 EJAB Clc1ccc(-c2csc(Nc3ccc4c(c3)OCCO4)n2)cc1 58391771 PLOPMRKSWYEVAL-UHFFFAOYSA-N 344.823 4.978 0 40 EJAB C[C@@H](c1cccc(Cl)c1)N1CCC(NC(=O)C2CCCCC2)CC1 65962855 CBZYEGFBUKIUKI-HNNXBMFYSA-N 348.918 4.562 0 40 EJAB COc1ccc(C(=O)c2ccc(Oc3ccccc3)cc2)cc1OC 95917303 PJFMHIWKESXXKO-UHFFFAOYSA-N 334.371 4.727 0 40 EJAB CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1Br 199832001 KTGNTDVGQBAHNV-UHFFFAOYSA-N 340.139 4.815 0 40 EJAB CC[C@@H](NC(=O)[C@H](C)Oc1cc(C)cc(C)c1)c1ccc(C)cc1C 219551218 DLRFWFBEQHFFEJ-GHTZIAJQSA-N 339.479 4.955 0 40 EJAB CCOc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1COC(C)C 224714933 RFIQZJYYLIEUQB-UHFFFAOYSA-N 341.451 4.879 0 40 EJAB C[C@@H](CNC(=O)CSCc1cccc2ccccc12)c1ccccc1 224953858 KVLSJMODNBTFKG-KRWDZBQOSA-N 349.499 4.993 0 40 EJAB O=C(O)[C@H](Cc1cc(Cl)cc(Cl)c1)Oc1ccccc1Cl 225090501 HYNQGIPDGLTZSD-AWEZNQCLSA-N 345.609 4.722 0 40 EJAB CCCCCNC(=O)c1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 225268535 FZFBNVMFAGGSSS-UHFFFAOYSA-N 341.842 4.803 0 40 EJAB CCCO[C@](C)(C(=O)Nc1ccc(OCC(C)C)c(C)c1)C1CC1 225673709 BLVKREXHMFOFKE-FQEVSTJZSA-N 333.472 4.564 0 40 EJAB COc1ccc(NC(=S)NC2(C(C)C)CCCC2)cc1Cl 225853683 QVVIBOILUFFECX-UHFFFAOYSA-N 326.893 4.604 0 40 EJAB Cc1cc(-c2ccccc2Br)ncc1Br 536955175 VBDJDROIIXYKSU-UHFFFAOYSA-N 327.019 4.582 0 40 EJAB O=C(NC[C@H](c1ccsc1)c1ccco1)c1cc2ccccc2o1 618257338 VXPRBCPWFUXZAC-OAHLLOKOSA-N 337.400 4.649 0 40 EJAB Cc1ccc(C)c(NC(=S)N2CCCC[C@@H]2c2cccnc2)c1 240223 CUEGAROVUYRZFT-GOSISDBHSA-N 325.481 4.622 0 40 EJAB O=C(C[C@H](c1ccccc1)c1cc(Cl)ccc1O)N1CCCCC1 480382 RSWFYOXWURZZEV-QGZVFWFLSA-N 343.854 4.580 0 40 EJAB CCc1ccc(NC[C@@H](O)Cn2c3ccccc3c3ccccc32)cc1 3893660 MMSZWAJLOIMQBF-LJQANCHMSA-N 344.458 4.830 0 40 EJAB CCOc1ccccc1[C@@H]1N=C(O)c2c(sc3c2CC[C@H](C)C3)N1 4571629 OJHIAYJMXSPZDW-APPDUMDISA-N 342.464 4.701 0 40 EJAB Cc1ccc2oc(C(=O)NC(c3ccccc3)c3ccccc3)cc2n1 8798543 RVVIDUCIIKKDNS-UHFFFAOYSA-N 342.398 4.656 0 40 EJAB COc1ccc(C(=O)N2c3ccc(OC)cc3C(C)=CC2(C)C)cc1 9547411 BPZODRNKUUUCCZ-UHFFFAOYSA-N 337.419 4.546 0 40 EJAB S=C(Nc1ccccc1)N1CC=C(c2c[nH]c3ccccc23)CC1 11084570 AFDPHEQGFVAWAO-UHFFFAOYSA-N 333.460 4.654 0 40 EJAB COc1ccc(Oc2cc(NC(=O)C3CCCC3)ccc2OC)cc1 11292371 RBUWJXKRYYRRAB-UHFFFAOYSA-N 341.407 4.625 0 40 EJAB Cc1cccnc1NC(=O)Cn1c(-c2ccccc2)cc2ccccc21 12514836 MYCZVAWLZDVUPE-UHFFFAOYSA-N 341.414 4.650 0 40 EJAB CCCOc1ccc(C(=O)Nc2ccc(F)cc2Cl)cc1OC 12797541 UPGLHRYPPGKNCS-UHFFFAOYSA-N 337.778 4.529 0 40 EJAB CSc1cccc(NC(=O)Cc2nc(-c3ccccc3)oc2C)c1 12812437 MTNZTFTVZYOAOY-UHFFFAOYSA-N 338.432 4.553 0 40 EJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1cc(Cl)ccc1OC 20454730 RNNCFDWQEDEXMD-INIZCTEOSA-N 347.842 4.762 0 40 EJAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1C 20495401 PSXAFLHTBZMMJM-CQSZACIVSA-N 347.842 4.680 0 40 EJAB Cc1ccc(Cl)cc1NC(=O)c1cc(=O)c2cc(Cl)ccc2o1 21290522 JWLCWBFMXFMXFL-UHFFFAOYSA-N 348.185 4.661 0 40 EJAB C[C@@H]1CCN(C(=O)c2ccc(OC(F)F)cc2)c2ccccc2S1 21901349 MBLFOTDHOMKVJG-GFCCVEGCSA-N 349.402 4.819 0 40 EJAB C[C@H](SCc1c(F)cccc1Cl)C(=O)Nc1ccccc1F 32907783 NSEMJYWEWLCGNP-JTQLQIEISA-N 341.810 4.879 0 40 EJAB O=C(CCc1ccccc1Cl)Nc1cccc(-c2cnco2)c1 48204923 DQKHTOXSNHHRLI-UHFFFAOYSA-N 326.783 4.566 0 40 EJAB Cc1cc(C)c(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)c(C)c1 57412184 VUBBWAFLTFCRSX-UHFFFAOYSA-N 339.826 4.908 0 40 EJAB CN(C1CCCCC1)[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 58165802 XKUDNSUBTMRNDU-HXUWFJFHSA-N 340.442 4.770 0 40 EJAB Cc1noc(CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)n1 58333188 HYLNEGRDJJSQJF-UHFFFAOYSA-N 349.415 4.992 0 40 EJAB CN(Cc1cccc2ccccc12)C(=O)[C@@H]1CCCc2ccccc21 58357642 RVZXUBGWPQPPOC-JOCHJYFZSA-N 329.443 4.918 0 40 EJAB O=Cc1ccc(OCc2ccc(F)cc2Cl)c(Br)c1 70136047 CHGBGSVLFDYKKD-UHFFFAOYSA-N 343.579 4.633 0 40 EJAB CC(C)CCn1c2ccc([C@H](C)O)cc2c2cc([C@@H](C)O)ccc21 73634207 MWYDTJSFWQSCJJ-GASCZTMLSA-N 325.452 4.947 0 40 EJAB O=C(Nc1c(Cl)cccc1Cl)c1ccnc2[nH]c(C3CC3)cc12 80443347 IJIYXQHWQWYBNB-UHFFFAOYSA-N 346.217 4.999 0 40 EJAB Cc1oc(-c2cccs2)nc1C[S@@](=O)[C@@H](C)c1ccc(F)cc1 84056801 GCEIQOIHQCWCHU-MYODQAERSA-N 349.452 4.861 0 40 EJAB CC[C@@H](C(=O)NC[C@@](C)(OC)c1cccc(Cl)c1)c1ccccc1 96392429 RQECXSYQWYUETO-UYAOXDASSA-N 345.870 4.512 0 40 EJAB CCOC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccccc1 103591649 JGZZHZJZONSRAT-GOSISDBHSA-N 339.435 4.694 0 40 EJAB O=C(N[C@@H]1CCCc2ccccc21)[C@@H]1CCC[C@@H](C(F)(F)F)C1 105657836 BHVLVJYKEAOAQT-IIAWOOMASA-N 325.374 4.549 0 40 EJAB O=C(NCc1cncc(-c2ccsc2)c1)Nc1ccccc1Cl 206948948 QBJOMLGBRCLLKA-UHFFFAOYSA-N 343.839 4.785 0 40 EJAB C[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1cccc2ccccc12 222857902 WDMOUUWKRMMJNU-AWEZNQCLSA-N 339.822 4.577 0 40 EJAB CC[C@@H](Oc1ccc(F)cc1)C(=O)N[C@@H](C)c1cc(C)c(C)cc1C 223465647 AJBRWFQTWVTYGM-OXJNMPFZSA-N 343.442 4.786 0 40 EJAB CCOc1ccc(NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)cc1 224331445 NJXMYJCFFQYYBM-MRXNPFEDSA-N 341.451 4.923 0 40 EJAB CCc1ccc(NC(=O)CSCc2ccc(Cl)cc2F)cc1 225855378 BMLQUSONXPVSCE-UHFFFAOYSA-N 337.847 4.913 0 40 EJAB Cc1ccc(-n2nc(C(=O)O)cc2-c2cccc3ccccc23)cc1 408725454 PEVXUOZMORQZBY-UHFFFAOYSA-N 328.371 4.699 0 40 EJAB COc1ccc(/C=C(/C(=O)Nc2ccccc2)c2ccccc2)cc1 408908224 VZIJZBJKHWFQHO-LTGZKZEYSA-N 329.399 4.875 0 40 EJAB CCOc1ccc2ccccc2c1/C=C1/SC(=O)N(C(C)C)C1=O 409024823 XGGFXPGIDKQKGS-GZTJUZNOSA-N 341.432 4.683 0 40 EJAB CCC(C)(C)C(=O)c1ccc(Br)cc1OC(F)(F)F 575362596 GFZFZIGVJMIFKO-UHFFFAOYSA-N 339.151 4.967 0 40 EJAB CN(Cc1cccc2ccccc12)C(=O)c1cc(F)cc2ccncc12 1136287662 NKZKXHIXDXRCDE-UHFFFAOYSA-N 344.389 4.799 0 40 EJAB C=CC(=O)N1c2ccc(OC)cc2-c2c(ssc2=S)C1(C)C 292624 KBZKKYDNBMTIAZ-UHFFFAOYSA-N 349.502 4.982 0 40 EJAB Cc1ccccc1OCCn1cc(C(=O)c2ccco2)c2ccccc21 560609 QNDBBQYNWDYVQT-UHFFFAOYSA-N 345.398 4.853 0 40 EJAB COc1ccccc1C(=O)Nc1nc(-c2ccc(C)c(C)c2)cs1 1504835 BDUJFHLOCWHZQZ-UHFFFAOYSA-N 338.432 4.688 0 40 EJAB COc1ccc2c(c1)CC/C(=C/C1(Sc3ccccc3)CC1)[C@H]2O 1582360 OKRCZDYMOXUSCU-FZWACIFYSA-N 338.472 4.926 0 40 EJAB CCCCCC(=O)Nc1scc(-c2ccc(C)cc2)c1C(=O)O 2279485 KVXQIQAEHOWMDU-UHFFFAOYSA-N 331.437 4.941 0 40 EJAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)SCc1ccccc1 3532192 UCHQZPLMEVIEPR-GFCCVEGCSA-N 335.856 4.609 0 40 EJAB Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(F)cc2)o1 4282030 FKLZLVMZAXCPPU-WIYYLYMNSA-N 348.377 4.969 0 40 EJAB Cc1ccc(-c2cnnn2-c2ccc(-c3csc(C)n3)cc2)cc1 6940619 SWVMJLOSTUWBCU-UHFFFAOYSA-N 332.432 4.675 0 40 EJAB CC(C)c1ccccc1OCC(=O)N[C@@H](C)c1cc2ccccc2o1 8239132 AAKOMNUVQXEKMC-HNNXBMFYSA-N 337.419 4.812 0 40 EJAB Cc1ccc(Cl)cc1NC(=O)CCc1nc2ccccc2s1 8275662 CUCFQAUELBRJCP-UHFFFAOYSA-N 330.840 4.829 0 40 EJAB CCc1ccc(-c2noc(CN3CCC[C@@H]3c3cccs3)n2)cc1 8389181 LERJZHCPQJFMJX-MRXNPFEDSA-N 339.464 4.698 0 40 EJAB COc1ccc(-c2cc(CN3CC=C(c4ccccc4)CC3)on2)cc1 8853072 LYYVOWQNOWCNDZ-UHFFFAOYSA-N 346.430 4.640 0 40 EJAB CCOc1ccc(CNC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1 10448459 VIYHRWSPWZCRDB-XNTDXEJSSA-N 337.463 4.712 0 40 EJAB C[C@H](CNC(=O)[C@@H](C)Sc1ccc(Cl)cc1)c1ccccc1 15377097 AIQREUHYICVUCU-ZIAGYGMSSA-N 333.884 4.741 0 40 EJAB O=S(=O)(/C=C/c1ccccc1)Nc1ccc2c(c1)Cc1ccccc1-2 16097182 YXVHGKNNLWBECL-OUKQBFOZSA-N 347.439 4.670 0 40 EJAB COc1ccc(-c2nc(-c3ccccc3)c3ccccn23)cc1OC 16227593 CIIWNPMFLHAJII-UHFFFAOYSA-N 330.387 4.686 0 40 EJAB CC[C@H](NC(=S)Nc1cccc(OC)c1)c1ccc(C)cc1C 39974141 VHCSHHNNHKKTGO-SFHVURJKSA-N 328.481 4.750 0 40 EJAB CC(=O)Oc1ccccc1C(=O)c1cccc(Oc2ccccc2)c1 43209767 RERRCAYSOKWCHR-UHFFFAOYSA-N 332.355 4.635 0 40 EJAB Cc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3Cl)n[nH]2)cc1 57477045 BKGQNKTUAXGDDO-UHFFFAOYSA-N 346.217 4.944 0 40 EJAB CC(C)n1ncc2c1N=C(O)C[C@H]2c1ccc(-c2ccc(F)cc2)o1 71280419 SNDBBTKADWFJHK-CQSZACIVSA-N 339.370 4.987 0 40 EJAB CC(C)CN1CCCC[C@@H]1c1cccnc1N(C)C(=O)OC(C)(C)C 72214520 SAKHFMDNNNNMFC-QGZVFWFLSA-N 347.503 4.636 0 40 EJAB CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1C 72215053 NTHLSMBJSWCAGJ-QGZVFWFLSA-N 347.503 4.780 0 40 EJAB CC[C@](C)(NC(=O)Nc1cccc(COC(C)C)c1)c1nccs1 76018957 JGWHQKWBLYKIBP-SFHVURJKSA-N 347.484 4.515 0 40 EJAB COc1cc([C@H](C)N[C@@H]2CCOc3ccccc32)ccc1SC 95419369 CYWWOYIAZAYJRO-XJKSGUPXSA-N 329.465 4.592 0 40 EJAB CCC(CC)C(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1 96407308 NIUCRWCKHLPZQW-XMMPIXPASA-N 343.492 4.510 0 40 EJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(OC(C)C)cc1 216470752 CZXYSVWJQITCAK-GOSISDBHSA-N 347.842 4.923 0 40 EJAB CC[C@H](Oc1cccc2ccccc12)C(=O)NC[C@@H](C)c1ccccc1 224456001 ORSWYOCFLCJRKG-UTKZUKDTSA-N 347.458 4.917 0 40 EJAB O=C(NCCSCc1cccc2ccccc12)c1cccc(F)c1 224960051 JWTZGODVBRULOT-UHFFFAOYSA-N 339.435 4.642 0 40 EJAB Cc1ccc(Cl)cc1C[C@H](Oc1ccc2ccccc2c1)C(=O)O 225078103 ZXIRWSHEFZCSEY-IBGZPJMESA-N 340.806 4.876 0 40 EJAB Cc1ccc([C@H](NC(=S)Nc2cccnc2)c2ccccc2)c(C)c1 225769672 CGCHZQHRULHADR-HXUWFJFHSA-N 347.487 4.774 0 40 EJAB CCCN(Cc1ccccc1)C(=O)Nc1ccc2nc(C)c(C)nc2c1 408975329 AIGSOEWHDWICDM-UHFFFAOYSA-N 348.450 4.691 0 40 EJAB Cc1ccc(CN2CC[C@H]3[C@@H](C2)CC(C)(C)N3c2cccc(F)c2)o1 1615124300 DMKAZHMHBMGOEV-UZLBHIALSA-N 342.458 4.607 0 40 EJAB CCOC(=O)c1c(C)ccnc1CSc1ccc(Cl)c(F)c1 1644064761 XLDKBGYNEWGAJD-UHFFFAOYSA-N 339.819 4.652 0 40 EJAB CCc1ccc(-c2nn(-c3ccccc3)c(=O)c3ccccc23)cc1 62035 CIZXUDMJRCMFHC-UHFFFAOYSA-N 326.399 4.615 0 40 EJAB S=C(Nc1ccccc1)N(CCOc1ccccc1)c1ccccc1 336356 FDECASKLZCVPOE-UHFFFAOYSA-N 348.471 4.969 0 40 EJAB CC(C)CN(Cc1cc(=O)oc2cc3c(cc12)CCCC3)CC(C)C 2212220 UOTCXZQPPGVWSY-UHFFFAOYSA-N 341.495 4.786 0 40 EJAB biogenic COc1ccc(C(=O)COc2ccc(-c3ccccc3)cc2)cc1OC 3364000 OXUPCMCRQNFYSF-UHFFFAOYSA-N 348.398 4.633 0 40 EJAB COC(=O)c1ccc(OC(=O)N(c2ccccc2)c2ccccc2)cc1 4275543 LRRADLDOORUGGZ-UHFFFAOYSA-N 347.370 4.810 0 40 EJAB O=C(COc1cccc2ccccc12)Nc1ccc(C(F)(F)F)cc1 6053110 SJEZLJMGLAZGAV-UHFFFAOYSA-N 345.320 4.876 0 40 EJAB CCc1ccc(-c2csc(NC(=O)c3ccc(F)cc3F)n2)cc1 6619857 RRJYHWXNOQJBDP-UHFFFAOYSA-N 344.386 4.903 0 40 EJAB Cc1cc(-c2csc(Cc3nc4ccccc4s3)n2)c(C)n1C 7275111 HDLXAYDJAUWGOB-UHFFFAOYSA-N 339.489 4.966 0 40 EJAB O=C1c2ccccc2[C@H](c2c[nH]c3ccccc23)N1Cc1ccccc1 9355388 GTYGWNAYRWXKEQ-JOCHJYFZSA-N 338.410 4.913 0 40 EJAB O=C(Nc1nnc(-c2ccccc2Cl)o1)c1ccc2ccccc2c1 9511403 HUIFAHKFCVLDLF-UHFFFAOYSA-N 349.777 4.796 0 40 EJAB O=C(Nc1ccccc1-c1ccccc1)c1ccc2c(c1)OCCCO2 12921675 LEMUNVZGMWPQTM-UHFFFAOYSA-N 345.398 4.767 0 40 EJAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1ccc(C)cc1 15186934 JQHKUSZNPSPNKO-GFCCVEGCSA-N 335.856 4.776 0 40 EJAB O=C(O)c1ccc(NC(=O)c2cccc(Cl)c2Cl)cc1Cl 20138664 SSPSZTCQFVQVFU-UHFFFAOYSA-N 344.581 4.597 0 40 EJAB O=C(Nc1nnc(C2CCCCC2)s1)c1csc2c1CCCC2 29088611 OYRCFXSPDODLLN-UHFFFAOYSA-N 347.509 4.778 0 40 EJAB CCOc1ccc([C@H](C)NC(=O)CCSCc2ccccc2)cc1 30849742 RLGWGGRMORVPKM-INIZCTEOSA-N 343.492 4.586 0 40 EJAB O=C(Nc1ccc(F)c(F)c1)c1ccc(CN2CCCCCC2)cc1 30938437 AOUPAPQLEYHZOD-UHFFFAOYSA-N 344.405 4.593 0 40 EJAB CCOc1ccc(NC(=O)[C@H](CC)Oc2cccc(Cl)c2)cc1 44899665 DAGZHEQHIYGELK-KRWDZBQOSA-N 333.815 4.535 0 40 EJAB Cc1ccc(C)c(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)c1 57412207 QCELHOOLQPGUEG-UHFFFAOYSA-N 325.799 4.599 0 40 EJAB CC(C)OCc1cccc(N[C@H](C)C(=O)Nc2ccccc2Cl)c1 58325428 NHLQJKGNPSIYCF-CQSZACIVSA-N 346.858 4.704 0 40 EJAB CS[C@@H](C)c1cccc(NC(=O)N[C@@H](C)c2c(C)noc2C)c1 72283393 OBTXRHLOSAHQOR-GWCFXTLKSA-N 333.457 4.598 0 40 EJAB C[C@H](c1ccc(F)cc1)[S@@](=O)Cc1csc(-c2ccco2)n1 78602612 GOCMWVXTBJNKPS-RKFFSXRUSA-N 335.425 4.552 0 40 EJAB COc1ccc2ccccc2c1CNc1ccc(-c2nc(C)n[nH]2)cc1 89708943 PBJAAEYAXISRDY-UHFFFAOYSA-N 344.418 4.554 0 40 EJAB Brc1ccccc1Cc1ccccc1Br 136551571 HNRCLMRGWPGLIS-UHFFFAOYSA-N 326.031 4.802 0 40 EJAB COc1ccc([C@H](CC(C)C)NC(=O)/C=C/c2ccc(C)cc2)cc1 216279308 BWTXISVPOXTTGT-PBAKHKOTSA-N 337.463 4.920 0 40 EJAB CC[C@@H](Oc1ccccc1)C(=O)N[C@H](CC(C)C)c1ccccc1 222863917 VZDMSPTZURDHOB-WOJBJXKFSA-N 325.452 4.748 0 40 EJAB CCOc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)CCC3)cc1Cl 223250564 LDIGUGWEMZZJQP-CYBMUJFWSA-N 343.854 4.718 0 40 EJAB C[C@@H](NC(=O)C1(c2ccccc2)CCCC1)c1ccc2c(c1)CCC2 223252878 ZUZISTRFMKTAGA-QGZVFWFLSA-N 333.475 4.865 0 40 EJAB C[C@H](CNC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1)c1ccccc1 224128741 CZYFPSUZDBZKOS-IAGOWNOFSA-N 339.479 4.671 0 40 EJAB C[C@H](Oc1cccc2ccccc12)C(=O)NC(C)(C)Cc1ccccc1 224705625 GPEDQISVKLDHKF-KRWDZBQOSA-N 347.458 4.745 0 40 EJAB CCOc1ccccc1NC(=S)NC[C@H](CC)Cc1ccccc1 225630177 CSNZLLCUKCLYBP-MRXNPFEDSA-N 342.508 4.641 0 40 EJAB CCCOc1ccc(NC(=O)[C@](C)(CCC)OCC)cc1Cl 225695302 HQPVRHBPZLWCPN-KRWDZBQOSA-N 327.852 4.663 0 40 EJAB O=C(c1cc2sccc2[nH]1)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 552961891 VNLMQVHDJNYNNH-HDMKZQKVSA-N 336.460 4.638 0 40 EJAB CCOC(=O)c1c(C)n(C2CCCCC2)c2ccc(OC(C)=O)cc12 36601 QNLPIKYPHVZSGH-UHFFFAOYSA-N 343.423 4.557 0 40 EJAB Cc1cc(C)c2c(N)c(C3=NC(C)(C)Cc4ccccc43)sc2n1 100030 JXHAPEJILTVXOT-UHFFFAOYSA-N 335.476 4.667 0 40 EJAB O=C(CCCc1c[nH]c2ccccc12)Nc1cccc2cccnc12 338679 ATGBVUJKSFEPRE-UHFFFAOYSA-N 329.403 4.678 0 40 EJAB Cc1cc(C(=O)Nc2ccc(Br)cc2)c2ccccc2n1 411501 STVGIEIRSOGQJA-UHFFFAOYSA-N 341.208 4.558 0 40 EJAB COc1cccc(COc2cc3oc(=O)c(C)c(C)c3cc2Cl)c1 488913 WPLHHPNWELCMML-UHFFFAOYSA-N 344.794 4.651 0 40 EJAB biogenic Cc1cccc(NC(=O)c2cc(Br)ccc2Cl)c1C 513643 PSTUBEAGZVWBEY-UHFFFAOYSA-N 338.632 4.972 0 40 EJAB CCCC(=O)Nc1cccc(NC(=O)c2ccc(C)cc2Cl)c1 570030 BRUWEXLTOAEEEX-UHFFFAOYSA-N 330.815 4.639 0 40 EJAB O=C(Nc1cccc(Cl)c1Cl)OCCCc1ccncc1 1560677 JRVABMGMYWBOMI-UHFFFAOYSA-N 325.195 4.570 0 40 EJAB CCCCOc1ccc([C@@H](C)c2cc3c(cc2OC)OCO3)cc1 1583051 CYJSRVDDACXPMA-CQSZACIVSA-N 328.408 4.755 0 40 EJAB O=Cc1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1 2788996 SCXLGLSAZFPXQX-UHFFFAOYSA-N 343.579 4.633 0 40 EJAB CCC(CC)C(=O)Nc1ccc(-c2nc3cccnc3s2)cc1 2961370 PPISOZPJGKJAKW-UHFFFAOYSA-N 325.437 4.733 0 40 EJAB CCCCOc1ccc(-n2c(C)c(C)c(C(=O)OCC)c2C)cc1 4817167 PFUQAGDMOGYCHO-UHFFFAOYSA-N 329.440 4.758 0 40 EJAB C[C@H](NC(=O)COc1ccccc1-c1ccccc1)c1ccc(F)cc1 5458254 GZLFQQMMBADTAC-INIZCTEOSA-N 349.405 4.749 0 40 EJAB CC(C)(C)c1ccc(OCC(=O)N[C@H]2CCCc3ccccc32)cc1 5471173 UVXAPZPKMYCJHN-FQEVSTJZSA-N 337.463 4.557 0 40 EJAB Cc1nn(-c2ccc(Cl)c(Cl)c2Cl)c(=O)c2ccccc12 5534261 ZDQHAKODCCEZDX-UHFFFAOYSA-N 339.609 4.654 0 40 EJAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)CSc1nc2ccccc2o1 6046926 FNUUPZLUHRSIRV-CKEIUWERSA-N 347.480 4.924 0 40 EJAB CCSc1nnc(COc2ccccc2Cl)n1-c1ccccc1 6651099 UDNXWLZYNCGGRR-UHFFFAOYSA-N 345.855 4.612 0 40 EJAB Cc1ccc(NC(=S)NCCCOC2CCCCC2)cc1Cl 7011126 KWXICNUFSATZFX-UHFFFAOYSA-N 340.920 4.674 0 40 EJAB CSc1ccc(CN(C)c2nc3cc(C)nn3c3ccccc23)cc1 7737997 WADVWGLZVGWKFU-UHFFFAOYSA-N 348.475 4.549 0 40 EJAB COc1ccc2cc([C@H]3Nc4ccccc4C(=O)N3C3CC3)ccc2c1 7886135 VTUVDHHEAXNLGJ-NRFANRHFSA-N 344.414 4.577 0 40 EJAB COc1ccc(CNc2ccc(Cl)cc2)cc1Br 8160208 LZVGPFXANLPYEI-UHFFFAOYSA-N 326.621 4.723 0 40 EJAB CC[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(OC)cc2)N3)C1 8198720 NWAOKCROQCMFIR-GTNSWQLSSA-N 342.464 4.701 0 40 EJAB Cc1nc2cc(N[C@@H](C)C(=O)Nc3cccc(Cl)c3C)ccc2o1 12527844 CPBIPVABKDONCT-NSHDSACASA-N 343.814 4.537 0 40 EJAB CCn1c(S[C@@H](C)C(=O)c2ccc(F)cc2)nc2ccccc21 12550872 QZFYOHUQEFKYMH-LBPRGKRZSA-N 328.412 4.559 0 40 EJAB CCc1ccc(C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)cc1 14258485 LPAHRQZIVKUCBN-UHFFFAOYSA-N 328.843 4.755 0 40 EJAB Clc1ccc([C@H]2[C@H]3CCCC[C@H]3[C@@H]2NCc2ccncc2)cc1 19336291 WBTAPMSKJUVVQP-YRPNKDGESA-N 326.871 4.797 0 40 EJAB Cc1ccc(C(=O)N2CCC[C@@H]2c2cccs2)cc1-n1cccc1 22699947 CDTIEQQNJUMAGT-QGZVFWFLSA-N 336.460 4.825 0 40 EJAB Cc1cccc2sc(NC(=O)c3nc(Cl)ccc3Cl)nc12 28909362 NPPYIEAGURZUCH-UHFFFAOYSA-N 338.219 4.559 0 40 EJAB Cc1cccc(OCc2nnc(S[C@H](C)c3ccc(F)cc3)o2)c1 48331590 YQGPAFPOXILMQM-CYBMUJFWSA-N 344.411 4.949 0 40 EJAB Cc1noc(C)c1C(=O)Nc1cccc(Cl)c1SC(F)F 65553654 ICXCIQYMJSEKDM-UHFFFAOYSA-N 332.759 4.512 0 40 EJAB CN(C(=O)Cc1ccc(-n2cccc2)cc1)[C@H]1CCCc2ccccc21 69370878 UUGWCRSHYOKQNU-QFIPXVFZSA-N 344.458 4.556 0 40 EJAB CCn1c2ccccc2c2cc(NC(=O)Nc3nccs3)ccc21 71837991 WAFOBCSYLTUHTQ-UHFFFAOYSA-N 336.420 4.915 0 40 EJAB CC[C@H](c1ccncc1)N(CC)C(=O)Nc1cccc([C@H](C)OC)c1 96418046 JRWNWMOSDHVJGI-HNAYVOBHSA-N 341.455 4.794 0 40 EJAB COc1cc2ccccc2cc1C(=O)N[C@H](C)c1ccc2c(c1)CCC2 223221878 RYSYGKUKUYINOV-OAHLLOKOSA-N 345.442 4.828 0 40 EJAB CCN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 224709740 ZAWYVESFFJIOPC-UHFFFAOYSA-N 344.263 4.517 0 40 EJAB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OC)c(Cl)c1 225705455 LBDYDJPSDGSQRE-QGZVFWFLSA-N 327.852 4.663 0 40 EJAB O=C1S/C(=C/c2c(O)ccc3ccccc23)C(=O)N1c1ccccc1 408806642 APZQJPIKRLPQSO-LDADJPATSA-N 347.395 4.786 0 40 EJAB O=C(c1cnc2c(F)cccc2c1)N1CCC[C@@H](c2ccccc2)CC1 584853645 ZJGAHXWTTXPWGF-QGZVFWFLSA-N 348.421 4.784 0 40 EJAB C[C@H](Nc1ccc2c(c1)[C@H](C)CC(=O)N2C)c1c(F)cccc1F 629273312 RZOSYGAXZULITP-NEPJUHHUSA-N 330.378 4.608 0 40 EJAB CCOc1cc2c(cc1OCC)[C@H](c1cc(C)c(C)cc1C)NCC2 34570 XMHWWXLACWWANG-QFIPXVFZSA-N 339.479 4.644 0 40 EJAB O=C(Nc1cccc(C(F)(F)F)c1)c1scc2c1CCCC2 90988 DLQMQTJAXSOJIC-UHFFFAOYSA-N 325.355 4.898 0 40 EJAB Cc1ccccc1NC(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1 363586 BDZLGPXZWXAROT-KRWDZBQOSA-N 343.426 4.968 0 40 EJAB O=C(CCC(=O)c1cccs1)NC(c1ccccc1)c1ccccc1 2646954 AQAZFSDZDNVNBF-UHFFFAOYSA-N 349.455 4.617 0 40 EJAB CC[C@H](C)c1ccc([C@@H](CC)NS(=O)(=O)c2cccs2)cc1 2774866 RKQTUEKIKVHFBS-XJKSGUPXSA-N 337.510 4.691 0 40 EJAB Cc1ccc(C(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)o1 3347332 SUQDKEIUEGUCEZ-SFHVURJKSA-N 344.414 4.631 0 40 EJAB CCOc1cc(OCC)cc(C(=O)Nc2ccc3ccccc3c2)c1 4503085 YGOAHDPGXOZCQN-UHFFFAOYSA-N 335.403 4.890 0 40 EJAB Cn1c(Cc2ccccc2)nnc1SCc1cccc2ccccc12 5499035 SNRLGTLQZCJDEJ-UHFFFAOYSA-N 345.471 4.851 0 40 EJAB O=c1[nH]c(/C=C/c2cccc(Cl)c2)nc2sc3c(c12)CCCC3 5530787 YNKZXEIZMHLACU-CMDGGOBGSA-N 342.851 4.687 0 40 EJAB CCn1c(S[C@@H](C)c2ccccc2)nnc1-c1ccc(OC)cc1 5850590 AKEBFMIERSJXNT-AWEZNQCLSA-N 339.464 4.827 0 40 EJAB CC(C)(C)c1ccc(-c2csc(NC(=O)c3ccco3)n2)cc1 5904512 CUEIVJVSVGQASK-UHFFFAOYSA-N 326.421 4.953 0 40 EJAB Clc1ccc(COc2cccc(CNCc3ccco3)c2)cc1 7523642 MZKBYQPFEPRQTC-UHFFFAOYSA-N 327.811 4.802 0 40 EJAB Oc1ccc(Cl)cc1-c1cc(C(F)(F)F)n(-c2ccccc2)n1 8306407 ZMTDMBUTCDKSDW-UHFFFAOYSA-N 338.716 4.917 0 40 EJAB CSc1nc(-c2ccccc2)c(NC(=O)c2ccccc2)s1 12890097 VTAPQRLSGHRESJ-UHFFFAOYSA-N 326.446 4.784 0 40 EJAB CC(C)C(=O)Nc1ccc(CNc2nc3ccccc3s2)cc1 12917360 GVULNDWNFUQZEL-UHFFFAOYSA-N 325.437 4.503 0 40 EJAB Cc1occc1C(=O)Nc1cccc(OCc2ccc(F)cc2)c1 12990171 OOPCMIFHIBZXAO-UHFFFAOYSA-N 325.339 4.558 0 40 EJAB CCOc1ccc(Oc2ccccc2NC(=O)c2ccncc2)cc1 14794194 DQQNQNXIJIOGCY-UHFFFAOYSA-N 334.375 4.525 0 40 EJAB c1ccc(COc2ccc3ccccc3c2CNC[C@H]2CCCO2)cc1 16480618 BJHKOWYUKIGPPW-HXUWFJFHSA-N 347.458 4.687 0 40 EJAB COc1ccc([C@@H]2O[C@H](c3ccc(OC)cc3)c3ccccc32)cc1 17286665 KOMIRVIRRBZKHM-SZPZYZBQSA-N 332.399 4.913 0 40 EJAB COc1ccc(-c2nnc(SC(C)C)n2-c2ccc(C)cc2)cc1 20818609 FVAXDLNWNIILOW-UHFFFAOYSA-N 339.464 4.752 0 40 EJAB Cc1ccccc1C(=O)Nc1nnc(-c2ccc(C(C)C)cc2)s1 21907998 GGAWHLPEYWAADN-UHFFFAOYSA-N 337.448 4.889 0 40 EJAB CC(=O)Nc1ccc(CN[C@@H](C)c2ccc(C(F)(F)F)cc2)cc1 28926863 XPBSRAAPULSJFI-LBPRGKRZSA-N 336.357 4.515 0 40 EJAB Cc1[nH]c2ccc(-c3nnc(SCc4ccccn4)o3)cc2c1C 35313327 OKKGSPLCOKQLPL-UHFFFAOYSA-N 336.420 4.522 0 40 EJAB CC[C@@H](NC(=O)N[C@H]1CCCOc2ccc(F)cc21)c1cccs1 54783222 RSGVVVAKOLFAKS-CABCVRRESA-N 348.443 4.551 0 40 EJAB COc1ccccc1C[C@@H]1CCCN1Cc1csc(C(C)(C)C)n1 58167886 RSINPSFOFTUPCI-KRWDZBQOSA-N 344.524 4.656 0 40 EJAB COc1ccc(-c2nc(Nc3ccc(Cl)nc3)sc2C)cc1 65567474 KMAXCSQVMUEDOJ-UHFFFAOYSA-N 331.828 4.919 0 40 EJAB Cc1oc(-c2ccsc2)nc1CC(=O)N(C)[C@H](C)c1cccs1 69561311 WESGMSBPSHIJCE-LLVKDONJSA-N 346.477 4.535 0 40 EJAB COc1ccc(NC(=O)C23CC4C[C@](C)(C2)C[C@](C)(C4)C3)cc1OC 101024208 DCSKVQIOVBCZDN-FMXWSCRGSA-N 343.467 4.639 0 40 EJAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CSCc1ccc(F)cc1Cl 105926596 IVOQSVZALFSFDG-BFQNTYOBSA-N 343.895 4.653 0 40 EJAB C[C@@H](NC(=O)CCSc1ccccc1)c1ccc2c(c1)CCCC2 222906133 RRIOAAMLRVFSRE-MRXNPFEDSA-N 339.504 4.925 0 40 EJAB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OC)c2ccccc12 225825916 WACANNKDOWQUNZ-HXUWFJFHSA-N 329.440 4.772 0 40 EJAB CCCO[C@@](C)(C(=O)Nc1ccc(OCC)c2ccccc12)C1CC1 225858898 FRVBHPXKZGUXAS-OAQYLSRUSA-N 341.451 4.772 0 40 EJAB COc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)cc1C 225868481 AXJNAOHOKDRMSV-QFIPXVFZSA-N 345.442 4.831 0 40 EJAB CC(=O)[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](CC[C@H]4O)[C@@H]3CC[C@@]2(C)C1 253617282 HAAMJEYGPJBHCI-UNNSTRIXSA-N 332.528 4.985 0 40 EJAB C[C@]12CCC3(C[C@H]1CC[C@@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(C)O)OCCO3 253617463 OCPDFDRDDCQKEV-CJAFCWQJSA-N 348.527 4.523 0 40 EJAB C[C@@H](CCc1ccccc1)NC(=O)CSCc1cccc(Cl)c1 408577342 ZJRXSGILJNBXKB-HNNXBMFYSA-N 347.911 4.711 0 40 EJAB O=C(/C=C/c1ccccc1Cl)NCc1ccc(-c2ccco2)o1 575607702 BKDYXCBHSJGNMA-JXMROGBWSA-N 327.767 4.523 0 40 EJAB O=C(NCC1CCC(c2ccccc2)CC1)c1c(F)cccc1F 594526798 ZCVMEXXAURVBEY-UHFFFAOYSA-N 329.390 4.669 0 40 EJAB Cc1cc(C)c(C(=O)N[C@@H](c2cccs2)C2CCOCC2)c(C)c1 606440555 AJCPCICBJZCCLL-LJQANCHMSA-N 343.492 4.571 0 40 EJAB CC(C)c1ccc(C(=O)NC(=S)Nc2ccccc2Cl)cc1 359502 OSAJXLYIQBKYOP-UHFFFAOYSA-N 332.856 4.590 0 40 EJAB CCc1cc2ccc(C)cc2nc1SCC(=O)N1CCCCCC1 413592 FWMWSZNBTCCGMO-UHFFFAOYSA-N 342.508 4.600 0 40 EJAB O=C(Nc1cccc(Cl)c1)c1cc(-c2ccc(Cl)cc2)on1 423605 UBMXSVKTIKWTNJ-UHFFFAOYSA-N 333.174 4.901 0 40 EJAB COc1nc(-c2ccccc2)ccc1-c1noc(-c2ccc(F)cc2)n1 498659 OHDMKDVYTFXSKY-UHFFFAOYSA-N 347.349 4.613 0 40 EJAB Fc1ccc2[nH]c3c(NCc4ccccc4Cl)ncnc3c2c1 547042 NFWUXGCIVALIDU-UHFFFAOYSA-N 326.762 4.516 0 40 EJAB O=C1NC(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)S1 975830 LQGIBYQHUCRPIP-WUXMJOGZSA-N 340.187 4.577 0 40 EJAB Cc1cc(C)cc(NC(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c1 1358407 WDNAVZCVRYSSQB-MRXNPFEDSA-N 348.450 4.591 0 40 EJAB CSc1ccccc1CCC(=O)c1ccc(Br)cc1 2516608 DDCCFGOYAYPFBS-UHFFFAOYSA-N 335.266 4.987 0 40 EJAB Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc4ccccc4c3)cc2)n1 3236126 BRIFIBRFSIWVAC-UHFFFAOYSA-N 341.414 4.895 0 40 EJAB COc1ccc(-c2csc(NC(=O)c3ccc(C)cc3)n2)cc1C 3260338 FJXUUMKWBRJLJZ-UHFFFAOYSA-N 338.432 4.688 0 40 EJAB O=C(OCc1nc2ccccc2s1)c1ccccc1C(F)(F)F 3378820 GGQJWZLRWNIQGM-UHFFFAOYSA-N 337.322 4.672 0 40 EJAB Cc1cccc(NC(=O)N2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)c1 6628551 JVSOGURKRNBPMA-MRXNPFEDSA-N 348.450 4.591 0 40 EJAB Cc1ccc2c(CC(=O)N[C@H](C)c3ccc(F)cc3F)coc2c1C 8073782 CMJMRJIGTWDVGV-CYBMUJFWSA-N 343.373 4.748 0 40 EJAB O=C(CCSc1ccccc1)Nc1cccc(Br)c1 8206267 NTZFTHXVQPCTBY-UHFFFAOYSA-N 336.254 4.570 0 40 EJAB O=C(NC1CCCCCC1)c1cc(-c2ccncc2)nc2ccccc12 12602531 QWPUTTSAOUKDGX-UHFFFAOYSA-N 345.446 4.749 0 40 EJAB CCOc1cccc(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)c1 13632217 SSFZEIANAYIIPH-LBPRGKRZSA-N 335.856 4.858 0 40 EJAB C[C@@H]1CCN(C(=O)Cc2ccc(Cl)cc2)c2ccccc2S1 14700622 WNGMSGAEMOPXGR-CYBMUJFWSA-N 331.868 4.800 0 40 EJAB C[C@H](SC1=Nc2ccccc2CS1)C(=O)Nc1cccc(F)c1 22022480 BHLWCXLGVJFMBM-NSHDSACASA-N 346.452 4.820 0 40 EJAB Cc1ccc(OCc2coc(-c3ccccc3)n2)c2c1[C@@H](C)CC2=O 25823387 KIMHVKJZYUYXOD-AWEZNQCLSA-N 333.387 4.919 0 40 EJAB Cc1ccc(NC(=O)c2cnc(OC(C)C)c(Cl)c2)c(Cl)c1 40156638 ONZIIDHSJYPLFT-UHFFFAOYSA-N 339.222 4.736 0 40 EJAB COc1ccc([C@@H](CC(C)C)NC(=O)Cc2cc(C)ccc2C)cc1 44886196 JCIDHZKUNXPYIL-OAQYLSRUSA-N 339.479 4.758 0 40 EJAB Clc1ccc(C2=NN(Cc3ccc(Br)cc3)CC2)cc1 44973432 HRAAVPKNDQVNLF-UHFFFAOYSA-N 349.659 4.713 0 40 EJAB O=C(Nc1ccc2ccccc2n1)c1ccc(-c2ccccc2F)o1 48234626 XFQISOLGNMLGJI-UHFFFAOYSA-N 332.334 4.886 0 40 EJAB COc1ccccc1NC(=O)[C@@H](C)N[C@H](C)c1ccc2ccccc2c1 57315514 MEECJANBIBTQKO-HZPDHXFCSA-N 348.446 4.526 0 40 EJAB Cc1nc(-c2ccc(NC(=O)c3cc4c(s3)CCC4)cc2)oc1C 65811280 GNEOCCUYLACTJE-UHFFFAOYSA-N 338.432 4.761 0 40 EJAB CC(C)(C)OC(=O)N1CCCC[C@H]1c1cccnc1NC1CCC1 72213927 SUONYLRBTHOLQE-INIZCTEOSA-N 331.460 4.508 0 40 EJAB c1cc(COC[C@H]2CCCCO2)cc(Nc2nc3ccccc3o2)c1 84600456 ANYGDNPLHMZFHU-QGZVFWFLSA-N 338.407 4.657 0 40 EJAB CCOc1cc(C=O)c(Cl)cc1OCc1ccc(F)cc1Cl 95094984 UUOYZEVYRDETTH-UHFFFAOYSA-N 343.181 4.923 0 40 EJAB C[C@H](NC(=O)c1ccccc1SC(F)F)[C@H]1C[C@H]2CC[C@H]1C2 104655740 XRXZCEHZDOMXIX-ZJQBRPOHSA-N 325.424 4.556 0 40 EJAB CCOc1ccc(C(=O)NCCCc2ccc(C(C)C)cc2)cc1C 222647038 JQQWQOIIJKQGMH-UHFFFAOYSA-N 339.479 4.880 0 40 EJAB CCc1ccc([C@@H](C)NC(=O)[C@H](CC)Oc2ccc(C)cc2C)cc1 223392312 XSISOVUNXPGCHO-XLIONFOSSA-N 339.479 4.901 0 40 EJAB Cc1cc(C)c([C@@H](C)NC(=O)[C@H](C)Sc2ccccc2)cc1C 223398932 GILYBSYTNGBYSJ-SJORKVTESA-N 327.493 4.970 0 40 EJAB Cc1ccc(CSCCNC(=S)Nc2cc(C)cc(C)c2)cc1 225292082 GONXMRLEQHWDFI-UHFFFAOYSA-N 344.549 4.832 0 40 EJAB COc1ccc(-c2nc(O)c3c4c(sc3n2)CCCCC4)c(C)c1 408994349 YRQCVGDZQUCOCA-UHFFFAOYSA-N 340.448 4.650 0 40 EJAB C[C@@H]1CCCCN1S(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1 387148 RDBLCGJCGFWABY-CQSZACIVSA-N 349.883 4.570 0 40 EJAB COc1ccc(/C=C(/C(=O)N2CCCCCC2)c2ccccc2)cc1 532391 JCXZEYAOKYDYAU-HEHNFIMWSA-N 335.447 4.638 0 40 EJAB CC(C)(C)[C@@H]1CCc2nc(NC(=O)c3ccc(F)cc3)sc2C1 1104264 PNOUDRBQZVKJBN-GFCCVEGCSA-N 332.444 4.686 0 40 EJAB O=c1c(-c2cccc(Cl)c2)c[nH]n1-c1cccc(C(F)(F)F)c1 1400713 PBEMXBIJVNPFDL-UHFFFAOYSA-N 338.716 4.505 0 40 EJAB Cn1ccc(-c2ncccc2Sc2cccnc2-c2ccn(C)c2)c1 1672327 JANLXKPDHHFMIX-UHFFFAOYSA-N 346.459 4.639 0 40 EJAB OC1CCC(n2c(-c3ccccc3)nc(=S)c3c2CCCC3)CC1 3236302 RJRONKGTOAONAN-UHFFFAOYSA-N 340.492 4.634 0 40 EJAB Cc1ccc(NC(=O)Cc2ccccc2Cl)c(Br)c1 3603660 LTEXGFLFULBZQL-UHFFFAOYSA-N 338.632 4.592 0 40 EJAB CCN(CC)CCCOC(=O)[C@H](c1ccccc1)C1CCCCC1 6381950 XTJYWVDREYTMGV-HXUWFJFHSA-N 331.500 4.626 0 40 EJAB O=C(Nc1nc2ccccc2[nH]1)c1sc2cc(F)ccc2c1Cl 6580366 ICGOJHPCMCSUGM-UHFFFAOYSA-N 345.786 4.822 0 40 EJAB COc1ccc(S[C@H](C)C(=O)Nc2ccc(C(C)C)cc2)cc1 7294659 MTGZOHKDWVVYKV-CQSZACIVSA-N 329.465 4.938 0 40 EJAB O=C(/C=C/c1ccc2ccccc2n1)N1CCCSc2ccccc21 7735768 FRIMJGOTKLGSSL-OUKQBFOZSA-N 346.455 4.777 0 40 EJAB C[C@H](NC(=O)CSc1cc(F)ccc1F)c1cc2ccccc2o1 7755799 XNBUYGRHYYTNNO-NSHDSACASA-N 347.386 4.681 0 40 EJAB Cc1nc(C)c(Cc2ccc(Cl)cc2)c(NCc2ccco2)n1 7996573 ZBUCHZJQUWPDGP-UHFFFAOYSA-N 327.815 4.543 0 40 EJAB CCCOc1ccccc1OCC(=O)N(C)c1ccc2ccccc2c1 10025552 XZPPDONZOQNEAU-UHFFFAOYSA-N 349.430 4.670 0 40 EJAB CCn1ncc(CN(CCc2ccccc2)Cc2cccs2)c1C 12291807 KWXQAXCPXOWSDU-UHFFFAOYSA-N 339.508 4.518 0 40 EJAB Cc1cnc(C(=O)Nc2cc3ccccc3nc2C2CCCCC2)cn1 12292631 AYKAKIVSCZZEHQ-UHFFFAOYSA-N 346.434 4.633 0 40 EJAB Cc1cccc(C)c1NC(=O)CCCSc1ncccc1Cl 12869523 AHOBKWGLIODXCT-UHFFFAOYSA-N 334.872 4.863 0 40 EJAB CC(C)c1ccc(-c2nonc2NC(=O)/C=C/c2ccccc2)cc1 13685092 OAMXRKCQANGDAO-MDWZMJQESA-N 333.391 4.512 0 40 EJAB FC(F)(F)c1cccc(-c2cn[nH]c2[C@@H]2CCCN(C3CCC3)C2)c1 19791285 BGEGUGBKWHVXOA-CQSZACIVSA-N 349.400 4.827 0 40 EJAB Cc1cccc([C@H]2CC(=O)c3c(C)nc(Nc4ccccc4)nc3C2)c1 20101876 RZVLGOZRUOMFCN-QGZVFWFLSA-N 343.430 4.750 0 40 EJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@H](C)c1ccc(C)cc1 20456719 DARSMMJTHFPYFR-MJGOQNOKSA-N 325.452 4.647 0 40 EJAB CC[C@@H](NC(=O)[C@H](C)Oc1cc(C)cc(C)c1C)c1ccc(C)cc1 22530032 DLPMPSQFCSAKGN-AZUAARDMSA-N 339.479 4.955 0 40 EJAB Cc1ccccc1Cn1cc(NC(=O)Nc2ccc(Cl)cc2)cn1 28226672 CIWLGQSMQJUHQG-UHFFFAOYSA-N 340.814 4.537 0 40 EJAB Cc1ccc(-c2nc(C(=O)Nc3nc(C(C)C)cs3)cs2)o1 31228263 TVKWZVMTADOMOJ-UHFFFAOYSA-N 333.438 4.544 0 40 EJAB Cc1ccc(CN(C)C(=O)c2csc(-c3ccccc3)n2)c(C)c1 32740875 TVQSMDNJUOJOMZ-UHFFFAOYSA-N 336.460 4.699 0 40 EJAB O=C(NCc1nc(-c2ccccc2)cs1)NC1CCCCCCC1 59851312 KPIQXEPQUWECHT-UHFFFAOYSA-N 343.496 4.722 0 40 EJAB CN(C(=O)OC(C)(C)C)[C@@]1(c2ccccc2Cl)CCCCC1=O 95829244 XWFIPKJXHXVWDZ-GOSISDBHSA-N 337.847 4.545 0 40 EJAB FC(F)(Br)C(F)(F)CCSCc1ccccc1 98210510 MVIOFPWNKXWCAC-UHFFFAOYSA-N 331.172 4.933 0 40 EJAB CC(C)c1ccccc1OCC(=O)NCCCc1ccc(Cl)cc1 222808661 HRLFLPPYBAQNND-UHFFFAOYSA-N 345.870 4.591 0 40 EJAB O=C(NCCOc1ccc2ccccc2c1)Nc1cccc(Cl)c1 223638267 CNKPTGYMMDBEKK-UHFFFAOYSA-N 340.810 4.694 0 40 EJAB CCOC(=O)c1ccc(Nc2ccc(Oc3ccccc3)cc2)c(N)c1 225431935 MAOUTVNXMVCXEH-UHFFFAOYSA-N 348.402 4.981 0 40 EJAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1cc(C)c(C)cc1C 225650474 DOOHUUAWFIEMIC-LJQANCHMSA-N 337.463 4.952 0 40 EJAB Cc1cccc(C2(NC(=S)Nc3ccc(F)cc3)CCCC2)c1 225851339 BPALSAHKGAEAMJ-UHFFFAOYSA-N 328.456 4.890 0 40 EJAB Cc1noc(C)c1C(C)(C)NC(=O)c1oc2c(C)ccc(C)c2c1C 331868750 YBFZGNFZURSCBS-UHFFFAOYSA-N 340.423 4.628 0 40 EJAB Cc1ccc2nc(SC(=O)c3ccccc3Br)[nH]c2c1 408623062 QRAPJTXQZHSCQY-UHFFFAOYSA-N 347.237 4.566 0 40 EJAB Cc1c(NC(=O)c2cccnc2)cccc1-c1nc2ccccc2s1 192810 SVFUYRRJBROKPX-UHFFFAOYSA-N 345.427 4.919 0 40 EJAB COc1cc2c(C(=O)O)c(C)n(-c3ccccc3)c2c2ccccc12 503493 PKTLXGAGORPEHN-UHFFFAOYSA-N 331.371 4.799 0 40 EJAB CCCc1nn(C)c(C(=O)Nc2ccc(C(C)(C)C)cc2)c1Cl 1018175 TYGAKDNIFDQMST-UHFFFAOYSA-N 333.863 4.576 0 40 EJAB COc1ccc(C(=O)Oc2c(Cl)cc(Cl)cc2Cl)cc1 1867077 BQNKLZROORXYIG-UHFFFAOYSA-N 331.582 4.875 0 40 EJAB C[C@@H]1CCCCN1Cc1cc(=O)oc2cc(-c3ccccc3)c(O)cc12 2118583 RFBOJWYFYNPANN-OAHLLOKOSA-N 349.430 4.540 0 40 EJAB biogenic Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCCCCCC2)cc1 3354456 HPZLTLBIDNOKFX-NRFANRHFSA-N 336.479 4.941 0 40 EJAB CSc1ccccc1NC(=O)COc1ccc(Cl)cc1Cl 3382499 DNDPLKCBLWWJCA-UHFFFAOYSA-N 342.247 4.733 0 40 EJAB Cc1cc(C)c(S(=O)(=O)Nc2cccc3ccccc23)c(C)c1 4134534 SYWRHAGHENJBMF-UHFFFAOYSA-N 325.433 4.566 0 40 EJAB COc1cccc2sc(Nc3nc4ccc(F)cc4s3)nc12 4137626 KQPOZYDSHQILAY-UHFFFAOYSA-N 331.397 4.797 0 40 EJAB C[C@H](Sc1ccccn1)C(=O)Nc1cccc(Cl)c1Cl 4835282 SYVIHNMUKJTSFE-VIFPVBQESA-N 327.236 4.508 0 40 EJAB Clc1ccc(-c2nnc(CSc3nc4ccccc4o3)o2)cc1 5628621 ADWGSHQHYATVRD-UHFFFAOYSA-N 343.795 4.824 0 40 EJAB CN(C)C[C@@H]1CCCCCCCCCCCC[C@@H](CN(C)C)C1=O 5837354 BAXULGVCSVLJSN-PMACEKPBSA-N 338.580 4.606 0 40 EJAB O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccncc1 5840362 XHERZGRNNGSAKE-UHFFFAOYSA-N 332.447 4.802 0 40 EJAB CC(C)(C)c1ccc(NC(=O)CN[C@@H]2CCCc3ccccc32)cc1 6313558 OXDDHNUWUCZFOE-HXUWFJFHSA-N 336.479 4.590 0 40 EJAB CCN(CC)c1ccc(NC(=O)c2cc3cc(OC)ccc3o2)cc1 6630072 PZKLIMNBTIDSNT-UHFFFAOYSA-N 338.407 4.540 0 40 EJAB Cc1cccc(N(Cc2ccccc2)C(=O)CSc2ccccn2)c1 7734730 QZMGPDQJIMEJQO-UHFFFAOYSA-N 348.471 4.716 0 40 EJAB Cc1cc(Cl)ccc1NC(=O)c1sc(-c2ccccn2)nc1C 8007879 RHJPKWLWVWKKRJ-UHFFFAOYSA-N 343.839 4.728 0 40 EJAB O=C(c1cccs1)N(Cc1ccco1)c1nc2ccccc2s1 10526942 DANDECALLONGLT-UHFFFAOYSA-N 340.429 4.798 0 40 EJAB COc1cccc(NC(=O)Nc2ccc(OCc3ccccc3)cc2)c1 11555823 MXWRZKSSBWNGHU-UHFFFAOYSA-N 348.402 4.918 0 40 EJAB Cc1cccc(C(=O)N(Cc2ccc(Cl)cc2)c2ccccn2)c1 11914553 FNQOYIAGQCOSJV-UHFFFAOYSA-N 336.822 4.890 0 40 EJAB CC(C)CC(=O)N1CCCCC[C@@H]1c1cc(-c2ccc(F)cc2)on1 12185541 ANSXHIVHNOFJAI-GOSISDBHSA-N 344.430 4.971 0 40 EJAB Cc1ccc(NC(=O)[C@@H](C)Oc2cccc(C(F)(F)F)c2)c(C)c1 12729001 WSALXNWCPARLGZ-CYBMUJFWSA-N 337.341 4.728 0 40 EJAB Cn1nc(C(C)(C)C)cc1NC(=O)c1cccc(Oc2ccccc2)c1 12795790 RREVRXWOCUPZKG-UHFFFAOYSA-N 349.434 4.762 0 40 EJAB Cc1noc(C(C)C)c1C(=O)Nc1cccc(C2SCCS2)c1 15037915 BJHCZZDRTAGEIZ-UHFFFAOYSA-N 348.493 4.837 0 40 EJAB Cc1ccc(-n2ncc3c(Nc4ccccc4C)ncnc32)cc1Cl 17136040 OOGIECCGRBMINK-UHFFFAOYSA-N 349.825 4.829 0 40 EJAB COc1ccc(OCCNc2ccccc2OCc2ccccc2)cc1 19738497 CHROKGPWNVQGRM-UHFFFAOYSA-N 349.430 4.765 0 40 EJAB Cc1ccccc1CSCC(=O)N(C)Cc1ccc(Cl)cc1 20110763 AYPWCHMJAZMNDA-UHFFFAOYSA-N 333.884 4.540 0 40 EJAB CC[C@H](C)c1ccccc1NC(=O)[C@H](C)Nc1ccc(OC)cc1 21130180 LJBCHUBSYKYMAV-GJZGRUSLSA-N 326.440 4.648 0 40 EJAB Cc1ccc(OCc2cc(-c3ccccc3)on2)c2c1[C@@H](C)CC2=O 22134774 KVMUXCRTFAHGNZ-AWEZNQCLSA-N 333.387 4.919 0 40 EJAB O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1cc(-c2ccco2)on1 25466502 SGZPYWBTQUROTQ-UHFFFAOYSA-N 342.354 4.758 0 40 EJAB Cc1ccc(Nc2nnc(SCc3cccnc3)s2)cc1C 27774905 MDHSPBGXGLSQRC-UHFFFAOYSA-N 328.466 4.586 0 40 EJAB COc1ccc(NC(=O)[C@@H](C)Oc2ccccc2C(C)C)cc1Cl 30868757 NQFYFYDOISLJBJ-CYBMUJFWSA-N 347.842 4.878 0 40 EJAB CCOc1ccc(-c2nc(COC(=O)c3ccccc3)cs2)cc1 36393823 LOFLUQORXVPXHR-UHFFFAOYSA-N 339.416 4.566 0 40 EJAB C[C@@H](CCc1ccccc1)NC(=O)c1[nH]c2ccccc2c1Cl 40143263 FEJSAOVJSXQIOS-ZDUSSCGKSA-N 326.827 4.572 0 40 EJAB O=C(c1cc(Cl)cc(Cl)c1)c1ccccc1Br 43210119 CASSWZUFKURMHL-UHFFFAOYSA-N 330.008 4.987 0 40 EJAB CC[C@H](Oc1ccccc1C)C(=O)N[C@@H](C)c1cc(C)ccc1C 44903805 MCSZWOIZJVZYGN-HKUYNNGSSA-N 325.452 4.647 0 40 EJAB O=C(c1ccc(C(F)(F)F)cc1)N1CCCCC[C@H]1c1ccncc1 49765228 RLHWDKNRZIZIOV-KRWDZBQOSA-N 348.368 4.858 0 40 EJAB Fc1ccc(-c2nc(Cl)c3oc(-c4ccccc4)nc3n2)cc1 53993891 XCBYXMSXEQSARR-UHFFFAOYSA-N 325.730 4.744 0 40 EJAB Cc1ccc(C)c(CSc2nc3ccsc3c(=O)n2C2CC2)c1 67259744 ADSKOAZUGHOQIP-UHFFFAOYSA-N 342.489 4.702 0 40 EJAB CCc1ccc([C@@H]2CC(c3ccco3)=NN2C(=O)c2ccccc2)cc1 95115901 WVCHIBXVMQQKEZ-FQEVSTJZSA-N 344.414 4.834 0 40 EJAB c1cncc(-c2ccc3c(c2)CCC32CCN(Cc3ccco3)CC2)c1 96100172 UVHIEMMZYRTZPS-UHFFFAOYSA-N 344.458 4.822 0 40 EJAB Cc1ccc(C23C[C@@H]4C[C@H](CC(C(=O)N5CCCCC5)(C4)C2)C3)cc1 100482501 LAGFEPOYFSBVPA-NAMINWQUSA-N 337.507 4.846 0 40 EJAB Cc1nc(-c2ccccc2NC(=O)/C=C/c2ccc(F)cc2)cs1 206895501 QJAWJMLHRRZZHW-DHZHZOJOSA-N 338.407 4.910 0 40 EJAB O=C(Nc1ccc(F)cc1)Nc1ccccc1-c1cn2ccccc2n1 206910015 IXLNVYQFVPTEGP-UHFFFAOYSA-N 346.365 4.784 0 40 EJAB CCCOCc1cc(C(=O)Nc2ccccc2CC)ccc1OCC 224704705 JSJOFYAZYCGWNE-UHFFFAOYSA-N 341.451 4.827 0 40 EJAB Cc1ccccc1NC(=O)c1ccc(-c2nc3ccccc3[nH]2)cc1 225255108 ZITTXHUHJJQIEH-UHFFFAOYSA-N 327.387 4.791 0 40 EJAB CCCOc1ccc(NC(=O)[C@]2(OCC)CCC[C@@H](C)C2)cc1C 225717096 AUCIGJVVFDUDKV-QRWLVFNGSA-N 333.472 4.708 0 40 EJAB CCC[C@](C)(OCC)C(=O)Nc1ccc(OC(C)C)c2ncccc12 225895624 JWKFEHCBUKWTNU-FQEVSTJZSA-N 344.455 4.556 0 40 EJAB CCc1ccc(-c2nc3cc(N(C)C(=O)C(F)(F)F)ccc3o2)cc1 226269342 KRHASIZVAZWWRG-UHFFFAOYSA-N 348.324 4.582 0 40 EJAB CC(=O)N[C@@H]1C[C@H](c2cccc(Cl)c2Cl)O[C@@H]2CCCC[C@@H]12 257272178 NBIMXXRWQBFBQA-AEAUEXCSSA-N 342.266 4.518 0 40 EJAB O=C(N[C@H]1C[C@H]2CC[C@H]1C2)c1ccccc1SCc1ccccc1 408711256 MUAVYKXEEXWJOG-LNLFQRSKSA-N 337.488 4.897 0 40 EJAB C[C@@H]1CCN(Cc2nc3ccccc3n2C(F)F)[C@H]2CCCC[C@H]21 613416697 XNISAHDRTYMJOE-YCPHGPKFSA-N 333.426 4.832 0 40 EJAB O=C(CCc1ccccc1)NCc1cc(-c2ccsc2)cs1 1775969500 AHNJNBNBXFSONT-UHFFFAOYSA-N 327.474 4.726 0 40 EJAB CC(C)Cc1ccc2c(N)c(C(=O)c3ccc(Cl)cc3)sc2n1 79754 IKHFPSDUPGZUPN-UHFFFAOYSA-N 344.867 4.961 0 40 EJAB Cc1cc2sc(NC(=O)c3cccnc3Cl)nc2cc1Cl 587049 NIYCGQPZHGHKJR-UHFFFAOYSA-N 338.219 4.559 0 40 EJAB COc1ccc(SC[C@@H]2CN(C)CC[C@@H]2c2ccc(F)cc2)cc1 968649 MLARQDLTIVCLRN-OXJNMPFZSA-N 345.483 4.662 0 40 EJAB O=C(/C=C/c1ccco1)Nc1nc(-c2ccc(Cl)cc2)cs1 1452661 BZKOXPXUOHPEOV-BQYQJAHWSA-N 330.796 4.708 0 40 EJAB COc1cc(SC)ccc1C(=O)Nc1ccc2nc(C)sc2c1 2657634 YQDUFCBCDYLROB-UHFFFAOYSA-N 344.461 4.588 0 40 EJAB COc1ccccc1[C@H]1Nc2c(C(=O)O)cccc2[C@H]2[C@H]3CC[C@H](C3)[C@@H]12 4151484 CNVSMRIFPOSVDX-VNYYRURUSA-N 349.430 4.690 0 40 EJAB C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1CC[C@@]21CCC(=O)O1 4311921 UWBICEKKOYXZRG-CHBSCGLWSA-N 342.479 4.594 0 40 EJAB C[C@@]12Cc3cnoc3C=C1CC[C@@H]1[C@@H]3CC[C@@](C)(O)[C@]3(C)CC[C@H]12 4802412 NYIRPOUXYQWAQW-MKIZIQLTSA-N 327.468 4.608 0 40 EJAB COc1cccc(/C=C/[C@@]23N=C(O)CCN2c2ccccc2C3(C)C)c1 5177512 VKJDLOHKBOGKLK-UFSNDUKISA-N 348.446 4.563 0 40 EJAB Cc1ccc(-c2nnc(SCC(=O)c3ccc(C)cc3C)o2)cc1 5210526 XPVMWFQEOZQQAU-UHFFFAOYSA-N 338.432 4.637 0 40 EJAB Cn1cc(C(=O)OCc2ccc(Cl)c(Cl)c2)c2ccccc21 5261222 AAGUKLOPLMJJKM-UHFFFAOYSA-N 334.202 4.842 0 40 EJAB CCCCOC(=O)C[C@H](C)P(=O)(OCCCC)OCCCC 5552598 HJDFOLVWLGTEJN-HNNXBMFYSA-N 336.409 4.935 0 40 EJAB CCn1c(C)cc(C(=O)CSc2nc3ccccc3s2)c1C 5629090 OGCIKXDOJCMGCI-UHFFFAOYSA-N 330.478 4.710 0 40 EJAB Cc1ccc(/C=C2\N=C(C34CC5CC(CC(C5)C3)C4)OC2=O)s1 5703265 HLQCJIONUBTXQE-APSNUPSMSA-N 327.449 4.569 0 40 EJAB O=C(Nc1ccc(O)c(-c2nc3ccccc3o2)c1)c1cccs1 5949165 FELSKUHYNKFKTP-UHFFFAOYSA-N 336.372 4.514 0 40 EJAB COc1ccc(Cl)cc1NC(=O)/C=C/c1c(F)cccc1Cl 6245748 SKCDPUYFMDCHEP-SOFGYWHQSA-N 340.181 4.793 0 40 EJAB CC(C)CCn1c(=S)[nH]c2scc(-c3cccs3)c2c1=O 6459349 JWSABAQZQJSWGW-UHFFFAOYSA-N 336.507 4.895 0 40 EJAB Cc1noc(C)c1COc1ccc2cc(Br)ccc2c1 7058154 CJVXFXABBCGSKU-UHFFFAOYSA-N 332.197 4.786 0 40 EJAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 8243290 NWEQMMPONQXHHZ-SECBINFHSA-N 328.170 4.539 0 40 EJAB Cc1cccc(NC(=O)Cc2csc(Nc3ccc(F)cc3)n2)c1 16850221 KDYKNPZCRGCUIQ-UHFFFAOYSA-N 341.411 4.515 0 40 EJAB CC[C@@H](C)c1ccccc1OCCNc1cc(OC)ccc1OC 19737810 OUYGIWBPFXUYPR-OAHLLOKOSA-N 329.440 4.708 0 40 EJAB CC[C@H](Oc1cccc2ccccc12)C(=O)N[C@H](C)c1ccccc1 22523731 QVHXDCYFOWPDKW-UZLBHIALSA-N 333.431 4.875 0 40 EJAB Cc1ccc(NC(=O)c2cc(-c3cccs3)on2)c2cccnc12 27144943 BQXBKBVDZVRZMV-UHFFFAOYSA-N 335.388 4.512 0 40 EJAB CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@@H](CC)c1ccccc1 44885194 ZHHPVCNFGHIPFM-OALUTQOASA-N 325.452 4.728 0 40 EJAB CC(C)c1ccc([C@H](O)CN2C(=O)c3cccc4cccc2c34)cc1 51289184 HCVOHJBPKGCYNR-HXUWFJFHSA-N 331.415 4.657 0 40 EJAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N[C@H](C)c1ccc(C)c(C)c1 59351316 KCGNPAKECYHASU-WIYYLYMNSA-N 339.479 4.955 0 40 EJAB Cc1cnc([C@@H](C)N[C@H](C)c2ccc(F)cc2OC(F)F)s1 95969009 VULRKBJRUJEOHP-NXEZZACHSA-N 330.375 4.604 0 40 EJAB Oc1cc2c(Cl)cc(Br)cc2cc1Br 142101460 LTQBZSDWSKDYKS-UHFFFAOYSA-N 336.410 4.724 0 40 EJAB O[C@H](c1ccc(Br)cc1)c1ccc2c3c(cccc13)CC2 158874340 IYZBKNXOHIJMOC-LJQANCHMSA-N 339.232 4.783 0 40 EJAB COC(=O)/C=C/c1ccc(-c2ccc(Br)c(Cl)c2)o1 216770038 AECBAKOSNCODCP-QPJJXVBHSA-N 341.588 4.549 0 40 EJAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccccc1C)c1ccc(C)cc1C 219289932 DEBNOWSXSPKNNH-IEBWSBKVSA-N 325.452 4.647 0 40 EJAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H](C)c1ccccc1 223005444 PPOJEVRULPEEAL-RDTXWAMCSA-N 331.843 4.683 0 40 EJAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1cccc(C(C)=O)c1 223018429 YFQBWOVNACBEDA-GOSISDBHSA-N 345.826 4.647 0 40 EJAB C[C@@H](O)c1ccc(NC(=O)c2cccc3c(Cl)cccc23)cc1 226272802 BNQHUTXFSYEJII-GFCCVEGCSA-N 325.795 4.799 0 40 EJAB c1csc(-c2nnc(CSc3cccc4cccnc34)o2)c1 124392 TXFYDDQFABFAAZ-UHFFFAOYSA-N 325.418 4.639 0 40 EJAB Cc1ccc(CSc2nnc3c(n2)[nH]c2c(C)cc(C)cc23)cc1 411207 GKAGBPLAQVRIGH-UHFFFAOYSA-N 334.448 4.724 0 40 EJAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C1CCCC1 484046 WUBLHCNTBYDBCA-UHFFFAOYSA-N 343.448 4.721 0 40 EJAB CCSc1nc2ccc(NC(=O)c3ccc(OC)cc3)cc2s1 533422 KZISPRSFPKTVOJ-UHFFFAOYSA-N 344.461 4.669 0 40 EJAB CCC[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)NC(C)C 2326527 RIPALYDKMCHMGD-ZGJBTBESSA-N 333.475 4.835 0 40 EJAB CCOc1ccc(OCCC(=O)Nc2ccc3ccccc3c2)cc1 2620904 SYOHHGBTAYRWDD-UHFFFAOYSA-N 335.403 4.646 0 40 EJAB O=C(NCc1cccc(C(F)(F)F)c1)c1ccccc1C(F)(F)F 3372648 SWMXYSYQUVXTND-UHFFFAOYSA-N 347.258 4.654 0 40 EJAB COc1ccc(Cl)cc1NC(=O)CSCc1ccc(C)cc1 5120051 ZFQSPTXBNURWQA-UHFFFAOYSA-N 335.856 4.529 0 40 EJAB Cc1cc(C(=O)CSc2ncnc3sccc23)c(C)n1C(C)C 6115340 FCNGFVXLMWCXRF-UHFFFAOYSA-N 345.493 4.666 0 40 EJAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(F)cc1F 6889878 ZMFBOWRHDOGVCL-UHFFFAOYSA-N 339.341 4.796 0 40 EJAB Cc1ccc(C)c(CSc2nnc(-c3ccc(F)cc3)n2C)c1 6913761 MPMHZCLBTNNLEL-UHFFFAOYSA-N 327.428 4.530 0 40 EJAB COc1cccc(CSc2nnc(-c3cccs3)n2C2CC2)c1 7763630 LNANCZCSCCLPPY-UHFFFAOYSA-N 343.477 4.642 0 40 EJAB CCc1cccc(CC)c1NC(=O)[C@H](CC)Oc1ccccc1OC 8041222 USIKZZBGERNLFJ-KRWDZBQOSA-N 341.451 4.616 0 40 EJAB O=C(c1ccc(-c2ccccc2F)o1)N1CC[C@H]2CCCC[C@@H]2C1 8306005 CLWDBNQVMZEEMR-HUUCEWRRSA-N 327.399 4.738 0 40 EJAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccc2ccccc2c1 8497850 FGPNBQQNORADFX-GOSISDBHSA-N 335.403 4.645 0 40 EJAB COc1ccc(Cl)cc1NC(=O)c1cc(Cl)sc1Cl 8924092 AHFPBZMYPJUJJY-UHFFFAOYSA-N 336.627 4.969 0 40 EJAB O=C(Nc1ccc(Cl)cc1F)c1ccc(Br)s1 10220019 NASCJDMKJQCCLJ-UHFFFAOYSA-N 334.597 4.555 0 40 EJAB COc1ccc(N(Cc2cccs2)C(=O)c2cccc(C)c2)cc1 11916542 ODVDCCWOTBBHRB-UHFFFAOYSA-N 337.444 4.912 0 40 EJAB O=C(Nc1ccc(Nc2ccccc2)cc1)c1n[nH]c2ccccc12 12525153 IRRZLMXSKCTNBP-UHFFFAOYSA-N 328.375 4.559 0 40 EJAB COc1ccccc1CC(=O)N(Cc1ccccc1)c1ccc(C)cc1 12738094 IOMOUYLJHBSUBJ-UHFFFAOYSA-N 345.442 4.780 0 40 EJAB O=C(Nc1c(-c2ccccc2)nc2ccccn12)c1cc(F)cc(F)c1 17367056 LBCUSKNDHUFQMF-UHFFFAOYSA-N 349.340 4.532 0 40 EJAB Cc1cc(CSc2nnc(-c3ccc(C(C)(C)C)cc3)o2)on1 25797589 UQSBGDXRBWDOSZ-UHFFFAOYSA-N 329.425 4.623 0 40 EJAB C[C@@H](N(C)C(=O)/C=C/c1ccc2ccc(Cl)cc2n1)C(C)(C)C 30420842 DLDLYDFSMTVWDE-OCHBPSSRSA-N 330.859 4.794 0 40 EJAB CN(Cc1ccc(Cl)c(Cl)c1)Cc1ncc(C(C)(C)C)o1 32809767 NCCLNCLZDSSNHC-UHFFFAOYSA-N 327.255 4.911 0 40 EJAB CC[C@@H](NC(=O)CCc1ccc(Cl)cc1)c1ccc(OC)cc1 36625237 BZSXDXANWZSWKB-GOSISDBHSA-N 331.843 4.549 0 40 EJAB CCN(CC)C(=O)c1cccc(-c2nc3cc(Cl)ccc3o2)c1 41127534 DKEPRHHJKDAACA-UHFFFAOYSA-N 328.799 4.630 0 40 EJAB C[C@@H](NC(=O)c1ccc(SCc2cscn2)cc1)c1ccco1 44896771 CXQNKGSBIRGKFS-GFCCVEGCSA-N 344.461 4.519 0 40 EJAB Cc1sc(Cc2ncc(Cl)n2C)nc1-c1ccc(Cl)cc1 63630697 PLCDSLXIQBIEGM-UHFFFAOYSA-N 338.263 4.750 0 40 EJAB Cc1noc(C)c1CN(C)C(=O)Nc1ccc(SC(C)(C)C)cc1 65606655 ZNCTZTDGWDCBHN-UHFFFAOYSA-N 347.484 4.846 0 40 EJAB CCc1cc(-n2cnnc2)cc(C)c1NC(=O)c1ccc(C(C)C)cc1 72228957 NDXBHLXDGAQCBS-UHFFFAOYSA-N 348.450 4.514 0 40 EJAB CC(C)Cn1ccc2cc(NC(=O)Cc3noc4ccccc34)ccc21 84575382 WHCKZNJVEWBSGP-UHFFFAOYSA-N 347.418 4.620 0 40 EJAB O=C(C[C@@H]1C[C@@H]2CC[C@@H]1C2)Nc1cccc(N2Cc3ccccc3C2)c1 100224498 PZOOPWGNIRNKHL-HLIPFELVSA-N 346.474 4.972 0 40 EJAB COCCCCc1cc(NCCCc2ccccc2)c(N)cc1C 204743444 LXEUXLGUQPGFMP-UHFFFAOYSA-N 326.484 4.591 0 40 EJAB O=C(O)/C(=C/c1ccc(Cl)cc1)Sc1nc2ccccc2o1 211502155 OSVMIKCBXZXNRR-ZROIWOOFSA-N 331.780 4.699 0 40 EJAB CC[C@H](NC(=O)CSCc1ccccc1C)c1ccc(C)cc1 216464820 HAMSDKOEJFBSGK-IBGZPJMESA-N 327.493 4.804 0 40 EJAB CC[C@H](NC(=O)[C@H](C)Oc1cc(C)ccc1C)c1ccc(C)cc1C 219074229 DLYXYSOGYBIFLK-ICSRJNTNSA-N 339.479 4.955 0 40 EJAB CC[C@H](CNC(=S)Nc1ccc(Cl)cc1)Cc1ccccc1 225629826 ZYUVZGNZCBGBTP-AWEZNQCLSA-N 332.900 4.895 0 40 EJAB Cc1ccc(Oc2c(F)cccc2OCCN2CCCCC2)cc1 585265219 JEHHXIHEZZGVKW-UHFFFAOYSA-N 329.415 4.791 0 40 EJAB CN(C(=O)C[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc2cc[nH]c2c1 1525211394 COBNDTRRZIAYLT-GXTWGEPZSA-N 338.373 4.890 0 40 EJAB C[C@@H]1CCc2nc(NC(=O)c3ccc(C(C)(C)C)cc3)sc2C1 175172 BSVRYHUKDKSSPP-GFCCVEGCSA-N 328.481 4.818 0 40 EJAB O=C(Nc1ccc(F)cc1)c1cc(-c2ccco2)nn1-c1ccccc1 254890 YKPVOLBQNQZZCW-UHFFFAOYSA-N 347.349 4.524 0 40 EJAB O=C(/C=C/c1ccccc1)Nc1cccc(-c2nc3ncccc3o2)c1 277207 WVGKCDCZXFAJHV-VAWYXSNFSA-N 341.370 4.542 0 40 EJAB O=C(Oc1ccccc1-c1nc(-c2ccccc2)no1)c1ccccc1 373791 VXAVCUJQJLUKJL-UHFFFAOYSA-N 342.354 4.623 0 40 EJAB Cc1cc2cc(C)c(SCC(=O)N3CCCC[C@H]3C)nc2cc1C 416364 DRVGIDZORMAZHQ-MRXNPFEDSA-N 342.508 4.653 0 40 EJAB Brc1ccc2nc(N3CCc4ccccc4C3)sc2c1 4137880 WNQZPGZPJJQBKQ-UHFFFAOYSA-N 345.265 4.622 0 40 EJAB O=C1OC(=C(Cl)Cl)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]12 4974743 YLUVPNMIHGZZMH-CKUJCDMFSA-N 343.209 4.713 0 40 EJAB CCOc1c(Cl)cc(C(=O)Nc2cccc(C)c2C)cc1OC 6350826 DPSMFYCDQFFJBQ-UHFFFAOYSA-N 333.815 4.616 0 40 EJAB C[C@H](N[C@@H](C)c1ccc(Cl)cc1)C(=O)c1c[nH]c2ccccc12 7538556 QUXMBCQIXLQECP-STQMWFEESA-N 326.827 4.743 0 40 EJAB CCc1ccc([C@H](NC(=O)/C=C/c2ccco2)c2cccs2)cc1 8062267 JZIPLJPRRVDHTL-SGWGQVFISA-N 337.444 4.823 0 40 EJAB CCOc1ccc(CN[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1OC 8324725 DDHLGWJQGGGODY-VZLUNSFSSA-N 343.511 4.788 0 40 EJAB O=C(Nc1nccs1)c1csc2c1CC[C@@H](c1ccccc1)C2 9111987 SLRYDKBTXZTQRU-CYBMUJFWSA-N 340.473 4.729 0 40 EJAB C[C@@H](NC(=O)Nc1nc2ccccc2s1)c1ccc(Cl)cc1 9958942 CREHGGJGBMUDAJ-SNVBAGLBSA-N 331.828 4.832 0 40 EJAB CCOc1ccc(CNC(=O)c2cc3c(ccc4ccccc43)o2)cc1 10448885 OTTVTJZQZPWDNZ-UHFFFAOYSA-N 345.398 4.915 0 40 EJAB Cc1nnc2sc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)nn12 13945082 UBIIAFPXFNZZSQ-UHFFFAOYSA-N 328.485 4.756 0 40 EJAB C[C@H](NC(=O)COc1ccc2ccccc2c1)c1cc2ccccc2o1 15040228 SGKOWZUHAMHVEA-HNNXBMFYSA-N 345.398 4.842 0 40 EJAB O=C(Nc1cccc(C(=O)c2ccccc2)c1)OCc1ccccc1 15108581 JIIAPEPUDYEMFJ-UHFFFAOYSA-N 331.371 4.666 0 40 EJAB Cc1ccc(C)c(NC(=O)Cc2sc(C)nc2-c2cccs2)c1 15840140 XUQWQTNKVWGHQY-UHFFFAOYSA-N 342.489 4.978 0 40 EJAB CSc1ccc([C@H](C)NC(=O)c2cccc(C(F)(F)F)c2)cc1 20029674 IXJPXBYHPSIWJT-NSHDSACASA-N 339.382 4.918 0 40 EJAB CC[C@@H](NC(=O)c1ccc(N2CCCCC2)cc1)c1ccc(C)cc1 20491063 IBMNBOBDCIUEEX-OAQYLSRUSA-N 336.479 4.866 0 40 EJAB Cc1noc(C(C)C)c1C(=O)Nc1ccc(OC(F)F)c(Cl)c1 21196468 TYZBWJFPDFWICN-UHFFFAOYSA-N 344.745 4.614 0 40 EJAB Nc1ccc(Oc2cccc(Br)c2)cc1C(F)(F)F 21804585 WCCYVAMTYJDIHI-UHFFFAOYSA-N 332.119 4.842 0 40 EJAB c1ccc(-c2nc3ccccn3c2CN2CCc3sccc3C2)cc1 22277681 YUFKLALEWYWZQC-UHFFFAOYSA-N 345.471 4.621 0 40 EJAB CC(=O)c1cccc(NC(=O)c2[nH]c3ccc(Cl)cc3c2Cl)c1 32911644 QPADZYNUTLWJQR-UHFFFAOYSA-N 347.201 4.930 0 40 EJAB Cc1[nH]c(=S)sc1CC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 40493923 ZARXSSPLAPPTHE-NSHDSACASA-N 346.477 4.622 0 40 EJAB O=C(CCc1ccc(Cl)cc1)Nc1ccccc1C(F)(F)F 40995203 TWWDOXHLMRTNEE-UHFFFAOYSA-N 327.733 4.930 0 40 EJAB Cc1cc(N)nc(SC(c2ccc(F)cc2)c2ccc(F)cc2)n1 60710118 JFISMUVORYQBNO-UHFFFAOYSA-N 343.402 4.527 0 40 EJAB C[C@H](c1ccccc1)N1C[C@@H](c2ccccc2)[C@@H]2C(=O)CCCC[C@H]21 95951563 HDWOSECNHJMGIU-DKOYFPBOSA-N 333.475 4.975 0 40 EJAB biogenic COc1ccccc1[C@H](C)N[C@@H](c1ccncc1)c1ccc(F)cc1 96477235 KQRAZMLBPRLNLZ-YCRPNKLZSA-N 336.410 4.670 0 40 EJAB O=C(CCc1ccccc1Cl)NCCCc1ccccc1Cl 220014795 FUCUPTLEHKLHKZ-UHFFFAOYSA-N 336.262 4.675 0 40 EJAB CC(C)(C)CC(C)(C)NC(=O)CSCc1ccccc1Cl 223402443 ZIMVCJIFPJWOHI-UHFFFAOYSA-N 327.921 4.904 0 40 EJAB CCOc1ccc(NC(=O)C2(OC)CCCCC2)c2ccccc12 225805845 MWILVTVUQIFJPA-UHFFFAOYSA-N 327.424 4.526 0 40 EJAB CCN(Cc1cnn(Cc2ccccc2)c1Cl)Cc1occc1C 1560891858 XDBLGRLCSVMRIT-UHFFFAOYSA-N 343.858 4.508 0 40 EJAB O=C(Nc1nnc(C2CCCCC2)s1)c1cc2ccccc2o1 150295 RDYLSSAKZJCKCV-UHFFFAOYSA-N 327.409 4.584 0 40 EJAB CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3ccccc3c2)cc1 354429 HROMQDGFIJITBS-UHFFFAOYSA-N 339.460 4.938 0 40 EJAB COc1ccccc1C(=O)N(Cc1ccccc1)c1ccc(C)cc1 577228 NUTKUHCGVVJHEY-UHFFFAOYSA-N 331.415 4.851 0 40 EJAB Fc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccco4)=NN32)cc1 1018756 VIBQLOPNPYCJJC-YLJYHZDGSA-N 334.350 4.661 0 40 EJAB O=C(Nc1ccccc1Br)C1(c2ccccc2)CCCC1 2512630 YWLCUXRPFPQAJD-UHFFFAOYSA-N 344.252 4.900 0 40 EJAB Cc1nc2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)cc2s1 2629268 WOUBVOZXBYQXHN-UHFFFAOYSA-N 346.477 4.529 0 40 EJAB CCc1ccc(Cl)c(CC)c1NC(=O)c1ccc(NC(C)=O)cc1 3378861 GUAWEUCXGIZLFH-UHFFFAOYSA-N 344.842 4.676 0 40 EJAB Clc1ccc(-c2ccc(CNCc3ccc4c(c3)OCO4)o2)cc1 7524614 PQULFIHSHUVYQQ-UHFFFAOYSA-N 341.794 4.619 0 40 EJAB Cc1cc2nc(Oc3ccc(F)cc3Cl)c3ccccc3n2n1 7737801 DSWIXLULEYSGQV-UHFFFAOYSA-N 327.746 4.776 0 40 EJAB CCCCOc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1OC 8288638 NRDAVTVYISLUGQ-UHFFFAOYSA-N 333.815 4.780 0 40 EJAB Cc1cccc(C(=O)Nc2ccc3oc(Cc4ccccc4)nc3c2)c1 10119989 VHJRDAWILRPQQA-UHFFFAOYSA-N 342.398 4.979 0 40 EJAB Cc1ccc(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)cc1 11246789 GIVWMKIXZPAOLB-UHFFFAOYSA-N 340.810 4.875 0 40 EJAB C[C@H](NC(=O)c1cc(Br)ccc1Cl)c1cccs1 12784913 PKAQBHGRYNCJIG-QMMMGPOBSA-N 344.661 4.655 0 40 EJAB COc1ccc([C@H]2CCCCCN2C(=O)Nc2ccccc2F)cc1 12792112 VVPZJQOAGKUTAJ-LJQANCHMSA-N 342.414 4.984 0 40 EJAB Cc1ccc2cc3c(nc2c1C)O[C@H](C)CN(CCc1ccccc1)C3 13561589 VLDMRCXQMXXOPC-QGZVFWFLSA-N 346.474 4.677 0 40 EJAB CCc1ccccc1NC(=O)C1=Cc2cc(Cl)ccc2OC=C1 15838542 YSBGTHHHIQJAIQ-UHFFFAOYSA-N 325.795 4.831 0 40 EJAB COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)Sc1ccc(Cl)cc1 17971735 UKHFXAKWAVDTEX-CHWSQXEVSA-N 349.883 4.707 0 40 EJAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N[C@H]1CCCc2ccccc21 20105159 KISIWPGWFQZDBY-VQTJNVASSA-N 337.463 4.655 0 40 EJAB O=c1oc2ccccc2cc1-c1ccc(Cl)cc1Br 20160511 WVLHQYPPFGCIRM-UHFFFAOYSA-N 335.584 4.876 0 40 EJAB CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1cc(C)nc(C)n1 24568470 HPDBFDQHEVZQMD-GXTWGEPZSA-N 343.496 4.726 0 40 EJAB Cc1nc2ccccc2nc1S[C@@H](C)C(=O)c1c[nH]c2ccccc12 29282957 RNAAMWVZTYNFDK-ZDUSSCGKSA-N 347.443 4.783 0 40 EJAB CCCCc1ccc(NC(=O)Cc2coc3cc(OC)ccc23)cc1 32999779 RWBUKKODIYVRTP-UHFFFAOYSA-N 337.419 4.965 0 40 EJAB Cc1ccc(Sc2oc(-c3ccc(C)cc3)nc2C(=O)O)cc1 35673447 MMMJRHXSGZJOHI-UHFFFAOYSA-N 325.389 4.808 0 40 EJAB C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)N[C@H](C)c1ccccc1F 40067845 NTSSBBCWNOHSFQ-OLZOCXBDSA-N 334.822 4.943 0 40 EJAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1cc(-c2ccccc2)[nH]n1 48252044 JKUDXXQIZYSUOX-AWEZNQCLSA-N 345.402 4.656 0 40 EJAB CCn1c(CN2CCC[C@H]2c2ccccc2C)nc2cc(F)ccc21 58296538 XROXYMNMHRWABA-IBGZPJMESA-N 337.442 4.841 0 40 EJAB CC1=Nc2c(c(O)nn2C(C)C)[C@@H](c2c(F)cccc2Cl)S1 71284456 YXIJKUSDFOMKQY-CYBMUJFWSA-N 339.823 4.848 0 40 EJAB CC1=Nc2c(c(=O)[nH]n2C2CCCCC2)[C@@H](c2ccsc2)S1 85411941 HWQVBVGIOGOJBD-CQSZACIVSA-N 333.482 4.629 0 40 EJAB C[C@H]1[C@@H](C)SCCN1C(=O)Nc1ccccc1CCC(F)(F)F 89920033 JLAHWJFNBRLTQM-NWDGAFQWSA-N 346.418 4.539 0 40 EJAB COc1cccc(C(=O)N[C@H](C)c2cc(C(C)C)c(OC)cc2C)c1 223265850 ZUUULIAGQKGPCP-OAHLLOKOSA-N 341.451 4.627 0 40 EJAB CC[C@H](Oc1ccccc1Cl)C(=O)NC(C)(C)CC(C)(C)C 224440002 AZJACTVVWRFVLC-AWEZNQCLSA-N 325.880 4.828 0 40 EJAB C(=C/c1ccc2ccccc2n1)\c1ccc(Oc2cnccn2)cc1 507213100 SFRKBIKHFHARKX-WEVVVXLNSA-N 325.371 4.988 0 40 EJAB c1ccc2[nH]c(Sc3ncnc4sc5c(c34)CCCC5)nc2c1 72484 VSDOOWLAAJQPTG-UHFFFAOYSA-N 338.461 4.598 0 40 EJAB CN(Cc1ccccc1)c1nc(-c2ccccc2)cc(C(F)(F)F)n1 213178 WOTLOFMQXNEMNW-UHFFFAOYSA-N 343.352 4.799 0 40 EJAB O=C(c1ccc(OCCOc2ccccc2)cc1)c1ccccc1F 2572606 UEHZRQNLWKFXLP-UHFFFAOYSA-N 336.362 4.515 0 40 EJAB Cc1ccc2oc(=O)c(-c3ccccc3)c(-c3cc(O)cc(O)c3)c2c1 2573907 NEIXSSQTVXMABP-UHFFFAOYSA-N 344.366 4.847 0 40 EJAB Fc1ccccc1Nc1nnc(SCCOc2ccccc2)s1 3317638 ARRNQZRJAKLZRZ-UHFFFAOYSA-N 347.440 4.592 0 40 EJAB Cc1onc(-c2ccccc2)c1C(=O)OCc1ccc(Cl)cc1 3497351 YGYDFIBFTLXTOX-UHFFFAOYSA-N 327.767 4.660 0 40 EJAB COc1ccc(-c2nc(NC(=O)c3ccc(F)cc3)sc2C)cc1 3554299 AJWYADXKZPNXET-UHFFFAOYSA-N 342.395 4.519 0 40 EJAB CCSc1nnc(-c2ccccc2Cl)n1-c1ccccc1F 4186130 KZYZCKGPAWKJOI-UHFFFAOYSA-N 333.819 4.839 0 40 EJAB Cc1ccc(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)o1 4510730 KIFYZJHSDXGGLF-UHFFFAOYSA-N 332.812 4.541 0 40 EJAB O=C(CC12CC3CC(CC(C3)C1)C2)OCc1nc2ccccc2s1 4625761 SGYJWQMKLAMHHE-UHFFFAOYSA-N 341.476 4.946 0 40 EJAB CCn1c(Cc2ccccc2)nnc1SCc1ccccc1Cl 5658885 SSBOSVWHVQMPEQ-UHFFFAOYSA-N 343.883 4.835 0 40 EJAB Cc1cc(NC(=O)CCCc2cccs2)ccc1Br 5678892 PQNQGWFBZMNJTI-UHFFFAOYSA-N 338.270 4.780 0 40 EJAB CCc1cccc(CC)c1NC(=O)CCCOc1ccc(C)cc1 5717536 FBLYEVXJVCTRAA-UHFFFAOYSA-N 325.452 4.918 0 40 EJAB CCCC[C@H](C(=O)O)c1nc(-c2ccc(C)cc2)n(-c2ccccc2)n1 5793069 UIIRRCQTDCAYRT-SFHVURJKSA-N 349.434 4.601 0 40 EJAB c1cncc([C@H]2CCCCN2CCCOc2ccc3c(c2)CCC3)c1 6624477 NOLGZYBMBYUYIW-JOCHJYFZSA-N 336.479 4.566 0 40 EJAB biogenic Clc1ccc(Cl)c(-c2nnc3n2-c2ccccc2SC3)c1 6831239 MWISDACBNMELJX-UHFFFAOYSA-N 334.231 4.847 0 40 EJAB CCC(C)(C)c1ccc2c(C(=O)N[C@H](C)[C@H]3CCCO3)csc2c1 6850629 AOLXFPVSSXENRY-CXAGYDPISA-N 345.508 4.886 0 40 EJAB O=C(N[C@H](c1ccccc1)c1ccc(OC(F)F)cc1)C1CCCC1 7281233 XHPBKUUXJJJLDD-GOSISDBHSA-N 345.389 4.684 0 40 EJAB c1ccc(-c2cc(CSc3ncnc4sccc34)no2)cc1 7329404 GTDFKLYLXSTELK-UHFFFAOYSA-N 325.418 4.639 0 40 EJAB Cc1ccccc1NC(=O)c1ccccc1OCCOc1ccccc1 7609849 HIMVQLDFCRTDEN-UHFFFAOYSA-N 347.414 4.705 0 40 EJAB CCc1ccc(/N=C/c2c(OCC(=O)O)ccc3ccccc23)cc1 8084087 OJYQQBHBHNHQSK-LPYMAVHISA-N 333.387 4.616 0 40 EJAB Cc1oc(C)c(C(=O)Nc2ccc(N3CCCCCC3)cc2)c1C 9643255 ZTUSZFOXHBPTPX-UHFFFAOYSA-N 326.440 4.838 0 40 EJAB Fc1ccc(-c2cc3ncnc(NCc4cccnc4)c3s2)cc1 9717116 AXBPGJRLOMTXHC-UHFFFAOYSA-N 336.395 4.505 0 40 EJAB O=C(CN1CCC[C@H]1c1ccccc1)Nc1cccc(Cl)c1Cl 10311213 OJPAJXXYEDPOSB-INIZCTEOSA-N 349.261 4.769 0 40 EJAB Cc1ccc(CNc2ncc(-c3ccccn3)c(-c3ccoc3C)n2)o1 12223318 VNXMLGQMKWTFIK-UHFFFAOYSA-N 346.390 4.621 0 40 EJAB O=C(Nc1cc(Cl)cc2cccnc12)c1ccc(F)cc1Cl 12546211 JUWQJHPOJFHCOC-UHFFFAOYSA-N 335.165 4.933 0 40 EJAB COc1ccc2c(CC(=O)Nc3cccc4c3CCCC4)coc2c1 15302394 HHIWWFJCWFFKJJ-UHFFFAOYSA-N 335.403 4.501 0 40 EJAB CC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1ccc(OC)cc1 20047842 MARVJMZLMACNDG-MRXNPFEDSA-N 338.234 4.883 0 40 EJAB Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1-c1ccc(CO)o1 20138082 IKIIYUUZTWQKKB-UHFFFAOYSA-N 341.794 4.653 0 40 EJAB Cc1ccc(Cc2cnc(NC(=O)c3ccco3)s2)cc1Cl 22866377 GEDLGEANQWXOAH-UHFFFAOYSA-N 332.812 4.541 0 40 EJAB CCCCCC(=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1 23199875 MHISBIXAYHLXQT-UHFFFAOYSA-N 325.412 4.849 0 40 EJAB CC(C)c1ccc(-c2nc(C(=O)N(C)[C@@H](C)C3CC3)cs2)cc1 25716312 HIQUAIMOMVODFY-ZDUSSCGKSA-N 328.481 4.804 0 40 EJAB CCc1ccc(CN(C(=O)c2ccc(C)cc2)c2ccccn2)cc1 27584637 ZYLPFUZNXWMLMT-UHFFFAOYSA-N 330.431 4.799 0 40 EJAB CCOc1ccc(Nc2c(-c3cccc(O)c3)nc3ccccn23)cc1 35616499 VDVZSSKNXLOYFO-UHFFFAOYSA-N 345.402 4.849 0 40 EJAB O=C(Cc1nc2ccccc2n1C(F)(F)F)c1ccc(Cl)cc1 36625622 NAYPAWHQUSREDX-UHFFFAOYSA-N 338.716 4.591 0 40 EJAB CC1=C[C@H](C)[C@H](CNCCNC[C@H]2[C@@H](C)C=C(C)C[C@H]2C)[C@H](C)C1 38583340 XPPZSKFTXPXUHK-NALHQMNBSA-N 332.576 4.642 0 40 EJAB COc1ccc(SCC(=O)Nc2ccccc2C(C)C)cc1OC 44901759 UIYOGQHKDPLDNC-UHFFFAOYSA-N 345.464 4.558 0 40 EJAB Cc1c(F)cccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1 51354547 IKAINBYRUYPWRT-UHFFFAOYSA-N 328.265 4.677 0 40 EJAB CC(C)n1ncc2c1N=C(O)C[C@H]2c1cc(C(F)(F)F)ccc1F 71281181 SXAFBGXKZDLWIO-JTQLQIEISA-N 341.308 4.746 0 40 EJAB FC(F)(Cl)Oc1cc(C(F)(F)F)ccc1Br 95215716 KKVNGIWPKJVOMA-UHFFFAOYSA-N 325.458 4.636 0 40 EJAB Cc1cc([C@H](O)c2cccc(Br)c2)cc(C)c1Cl 95730275 YBKYDDQLNUEKRN-OAHLLOKOSA-N 325.633 4.801 0 40 EJAB Cc1ccccc1C(=O)N1N=C(c2ccco2)C[C@@H]1c1ccccc1 95946355 SGBBPKXARVFQRW-LJQANCHMSA-N 330.387 4.580 0 40 EJAB O=C1CCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)CN2Cc1ccccc1 95951723 BHSGJDHMYNLSPY-VWPQPMDRSA-N 337.438 4.553 0 40 EJAB biogenic CCCc1ccc([C@@H](NCc2csc(NC(C)=O)n2)C(C)C)cc1 96955888 JUQXMNZSMHFGGY-SFHVURJKSA-N 345.512 4.541 0 40 EJAB COC(=O)c1cc(Cl)cc(Cl)c1-c1cc2ccccc2oc1=O 216936047 MOZRAJMZGMHQKC-UHFFFAOYSA-N 349.169 4.553 0 40 EJAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCc1ccc2ccccc2c1 222797368 HANDZFSTBKHILL-OAQYLSRUSA-N 347.458 4.930 0 40 EJAB COc1ccc(C(=O)N[C@@H](C)CC(C)(C)c2ccccc2)cc1Cl 222811336 BKTGWXHLMWCMIX-AWEZNQCLSA-N 345.870 4.835 0 40 EJAB Cc1cccc(CSCCNC(=S)Nc2ccc(C)cc2C)c1 225336140 INBZXEBSJSDFAK-UHFFFAOYSA-N 344.549 4.832 0 40 EJAB Cc1cccc(CSCCCNC(=S)Nc2cccc(C)c2)c1 225602592 VXSVZCIYVZITAW-UHFFFAOYSA-N 344.549 4.913 0 40 EJAB C[C@H]1CCCCN1S(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1 387147 RDBLCGJCGFWABY-AWEZNQCLSA-N 349.883 4.570 0 40 EJAB Cc1cc(C)cc(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)c1 512858 GSVIBJVXIJHJGK-UHFFFAOYSA-N 344.414 4.808 0 40 EJAB CCc1c(C)nc2c(-c3ccccc3)c(C)nn2c1Nc1ccncc1 2205320 PLCDYVYJCIMUCT-UHFFFAOYSA-N 343.434 4.714 0 40 EJAB CC1(C)COC(CCCCC(=O)c2cccc3ccccc23)OC1 2518129 QLQGADFVFMPQKQ-UHFFFAOYSA-N 326.436 4.982 0 40 EJAB COc1ccc(-c2nc3ccccc3c(C(=O)NCC(C)C)c2C)cc1 2752391 BPPWTGWHCQHWSB-UHFFFAOYSA-N 348.446 4.605 0 40 EJAB Cc1nc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)sc1C 2753939 VBJRXBHVGRDTLM-GQCTYLIASA-N 327.236 4.719 0 40 EJAB C[C@H](Sc1ccccc1)C(=O)N1CCC(Cc2ccccc2)CC1 3454716 ILOUOVMNNZUWGW-KRWDZBQOSA-N 339.504 4.649 0 40 EJAB Cc1ccc(CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)cc1C 3458500 LAKXIMYBMZAEKY-UHFFFAOYSA-N 339.769 4.739 0 40 EJAB CCOC(=O)/C=C(\C)NCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 4805608 VNELFTQKRBLFCV-GXDHUFHOSA-N 347.499 4.544 0 40 EJAB CCC(CC)C(=O)Nc1ccc(-c2cn3c(C)csc3n2)cc1 5083794 HPQTWCUTKBYQCR-UHFFFAOYSA-N 327.453 4.746 0 40 EJAB O=C(Nc1ncnc2sccc12)c1cccc(Oc2ccccc2)c1 5299464 JNTJRQSZOZOQQS-UHFFFAOYSA-N 347.399 4.736 0 40 EJAB O=C(CSc1ccc2ccccc2n1)N[C@@H]1CCCc2ccccc21 5626760 GKNPGXZNNVGOAH-LJQANCHMSA-N 348.471 4.521 0 40 EJAB O=C(CSCc1ccccc1)Nc1ccccc1C(F)(F)F 5736541 NQECWXZIYJMDRT-UHFFFAOYSA-N 325.355 4.577 0 40 EJAB Cc1ccc2c(c1)-c1c(c(N3CCOCC3)nc3ccccc13)CS2 5750731 MUQKXNKDEQVGLO-UHFFFAOYSA-N 348.471 4.653 0 40 EJAB FC(F)(F)c1cc(NC(=S)NCc2ccccc2)ccc1Cl 5947022 VINPYEJONKCOLQ-UHFFFAOYSA-N 344.789 4.845 0 40 EJAB O=C(CSCc1ccc(Cl)cc1)N[C@H]1CCCc2ccccc21 7736834 LFXYQPFJEAYBRU-SFHVURJKSA-N 345.895 4.767 0 40 EJAB O=C(CNc1ccccc1-c1ccccc1)Nc1ccc(F)c(F)c1 11618645 YNMCGVXHZQTHQH-UHFFFAOYSA-N 338.357 4.682 0 40 EJAB Cc1ccc(C(=O)NCc2ccc(-c3csc(C)n3)cc2)c(C)c1 12614476 HHTPAMIYZGYIQB-UHFFFAOYSA-N 336.460 4.665 0 40 EJAB CCn1c(S[C@@H](C)c2ccccc2)nnc1-c1ccccc1OC 12785580 CUICWUBQMJNUQG-AWEZNQCLSA-N 339.464 4.827 0 40 EJAB C[C@@H](NC(=O)[C@@H]1Cc2ccccc2O1)c1ccc(-c2ccccc2)cc1 12848021 JXZGSIXBZBIRSQ-ZHRRBRCNSA-N 343.426 4.535 0 40 EJAB O=C(Nc1ccc(F)c(F)c1F)c1ccc(-c2ccccc2F)o1 14226724 ICMHTNZJTIYAGW-UHFFFAOYSA-N 335.256 4.755 0 40 EJAB Cc1ccc2c(c1)Cc1c(S)nc(-c3ccc(N(C)C)cc3)nc1O2 15830890 YCESALLCJDLVQZ-UHFFFAOYSA-N 349.459 4.503 0 40 EJAB COC(=O)C1=CS[C@](Cc2ccccc2)(c2ccccc2)S1 18194570 LLSIZJHNEKXLHW-SFHVURJKSA-N 328.458 4.577 0 40 EJAB COc1c(Cl)cc(C(=O)NCCC2=CCCCC2)cc1Cl 21898369 WDVVSOOOQGKSDI-UHFFFAOYSA-N 328.239 4.622 0 40 EJAB CCOC(=O)c1ccc(Nc2ccnc3ccc(Cl)cc23)cc1 32605063 AYHYCSVDCMUYTJ-UHFFFAOYSA-N 326.783 4.809 0 40 EJAB Cc1ccc(NC(=S)NCc2ccc(OC(C)C)cc2)c(C)c1 45709060 CQEBGGOUKZDEAY-UHFFFAOYSA-N 328.481 4.577 0 40 EJAB CN(C)/C=C(\c1cccs1)c1ncc(C(F)(F)F)cc1Cl 49952283 YXBBXKZRRNCHEX-CSKARUKUSA-N 332.778 4.766 0 40 EJAB Cc1noc(C)c1CN(CCCC1CCCC1)Cc1c(C)noc1C 65565899 GFNSRBNZLAQKEY-UHFFFAOYSA-N 345.487 4.869 0 40 EJAB C[C@@H]1CCCN(C(=O)c2ccc(SCc3cccnc3)cc2)CC1 68783822 TZJUVJUQAYSLHQ-MRXNPFEDSA-N 340.492 4.636 0 40 EJAB Cc1ccc(C[S@](=O)Cc2coc(-c3ccccc3Cl)n2)cc1 69925424 PKAUZGFENQURCG-HSZRJFAPSA-N 345.851 4.752 0 40 EJAB CSc1ccc([C@@H]2CCCCN2C(=O)OCc2ccccc2)cn1 72216911 GDLXFIXZZBKMGG-KRWDZBQOSA-N 342.464 4.667 0 40 EJAB Fc1ccccc1Cc1cccc([C@@H]2CCCN2Cc2ccccn2)n1 72357709 PNMQPANAEKTVKD-QFIPXVFZSA-N 347.437 4.544 0 40 EJAB CN(C)C(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccccc1)N2 169299196 PNIQDALMXTWOSU-UCEGJLSESA-N 346.474 4.685 0 40 EJAB O=C(c1ccc2[nH]ccc2c1)N1CCCC[C@H](c2ccc(F)cc2)C1 206671660 CUYSHRNNVBTATO-SFHVURJKSA-N 336.410 4.717 0 40 EJAB Cc1cccc(CCCNC(=O)c2ccccc2SC(C)C)c1 219654327 NVSLMSNWCNUVLL-UHFFFAOYSA-N 327.493 4.858 0 40 EJAB C[C@@H](NC(=O)COc1cccc2ccccc12)c1ccc2c(c1)CCC2 223206084 ZCAPJTPFXLPJIM-MRXNPFEDSA-N 345.442 4.585 0 40 EJAB O=C(CCc1ccc(F)cc1)N(Cc1ccccc1)Cc1ccccc1 223279067 SVRZPXIDKHRANE-UHFFFAOYSA-N 347.433 4.987 0 40 EJAB CCCCCNC(=O)c1ccc(OC)c(COc2ccc(C)cc2)c1 224128109 KBVZDANULLEFPC-UHFFFAOYSA-N 341.451 4.503 0 40 EJAB S=C(NCCCSCc1ccco1)Nc1cccc(Cl)c1 225592832 VHGCWYNSJSDMPE-UHFFFAOYSA-N 340.901 4.543 0 40 EJAB O=C(NCCCc1cc2ccccc2o1)C12CC3CC(CC(C3)C1)C2 390831629 SYQLEJBBYCDVGU-UHFFFAOYSA-N 337.463 4.698 0 40 EJAB COc1ccc(NC(=O)c2ccc(-c3nc(C)sc3C)cc2)cc1 408580674 QORNFUQSIQQIDL-UHFFFAOYSA-N 338.432 4.688 0 40 EJAB COc1ccc2c(c1)CCc1sc(=Nc3ccccc3Cl)[nH]c1-2 408892326 YRNBAKHZUDKQNX-UHFFFAOYSA-N 342.851 4.736 0 40 EJAB CSc1nc2ccc(NC(=O)c3c(F)cccc3F)cc2s1 567705 ZCZZNKIIZWQCHK-UHFFFAOYSA-N 336.388 4.549 0 40 EJAB CC(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc1 849053 DEPTWDJMOYKJAH-UHFFFAOYSA-N 348.402 4.908 0 40 EJAB O=C(CSc1cccc2cccnc12)Nc1ccc(Cl)cc1 1093808 AMBIOGUPQSPDOP-UHFFFAOYSA-N 328.824 4.619 0 40 EJAB Cc1c(-c2ccccc2Br)nc2ccccc2c1C(=O)O 1701666 WJZUSKMQYUEKJM-UHFFFAOYSA-N 342.192 4.671 0 40 EJAB CCCCCCc1ccc(C(=O)Oc2ccc(C(=O)O)cc2)cc1 2053438 ZTJIGZMNTRKRHK-UHFFFAOYSA-N 326.392 4.727 0 40 EJAB Cc1ccc(CNc2nc(-c3cccnc3)nc3ccccc23)cc1 3338452 PZCONINXAZYHQX-UHFFFAOYSA-N 326.403 4.612 0 40 EJAB CCc1ccccc1NCC(=O)NC(c1ccccc1)c1ccccc1 3342050 HRAFBCWRQSKCJC-UHFFFAOYSA-N 344.458 4.567 0 40 EJAB CC(C)OC(=O)Cc1nc(Cl)c2cc(-c3ccccc3)sc2n1 3887734 DTEQKPOZSKMFOX-UHFFFAOYSA-N 346.839 4.506 0 40 EJAB Cc1cc(C)c(-c2nnc(NC(=O)c3ccccc3C)s2)c(C)c1 4070351 APFVSQDDISXVHZ-UHFFFAOYSA-N 337.448 4.691 0 40 EJAB Cc1nc2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2s1 4134866 QQXRXHHRLGEOEV-UHFFFAOYSA-N 326.465 4.760 0 40 EJAB O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc2c(c1)CCCC2 5261855 PGBOSHNTGXDORU-UHFFFAOYSA-N 334.463 4.808 0 40 EJAB Cc1cccc(COC(=O)c2ccccc2NC(=O)c2ccccc2)c1 6150693 IENXJZFKFPSFMW-UHFFFAOYSA-N 345.398 4.604 0 40 EJAB CCCOc1ccc(C(=O)Nc2c(C)cccc2CC)cc1OCC 6152448 CLIBQFDLBQYPHX-UHFFFAOYSA-N 341.451 4.997 0 40 EJAB CN(C(=O)COc1cccc(Oc2ccccc2)c1)C1CCCCC1 6544370 VIKAUXYHSSGHJX-UHFFFAOYSA-N 339.435 4.649 0 40 EJAB c1ccc(-c2nc(CSc3ccc4c(c3)OCCO4)cs2)cc1 6916282 MGODEDILXDLZSJ-UHFFFAOYSA-N 341.457 4.874 0 40 EJAB Cc1cc2nc(NC(=O)c3ccc(Cl)cc3Cl)[nH]c2cc1C 6922313 BKARLDSEXRXEGI-UHFFFAOYSA-N 334.206 4.739 0 40 EJAB C[C@@H](CCc1ccco1)NC(=O)C1c2ccccc2Oc2ccccc21 7037872 ZJDLAMWODCDKHB-HNNXBMFYSA-N 347.414 4.655 0 40 EJAB O=C(NC1CCCCC1)c1ccc(OCc2ccccc2Cl)cc1 7699920 UBIZZJNPWISRFF-UHFFFAOYSA-N 343.854 4.982 0 40 EJAB Cc1ccc(NC(=O)NCc2ccc(-c3csc(C)n3)cc2)cc1 9114017 RIFGNYVTGRFEHN-UHFFFAOYSA-N 337.448 4.749 0 40 EJAB O=C(Nc1ccncc1)c1ccccc1-c1ncc(-c2ccccc2)o1 12537669 AEUZXAMCGBUTGJ-UHFFFAOYSA-N 341.370 4.656 0 40 EJAB CC(=O)Nc1ccc(NC(=O)c2cc3c(s2)CCCCCC3)cc1 12946222 DUEWWFVQUFVBED-UHFFFAOYSA-N 342.464 4.618 0 40 EJAB Cc1ccc(O[C@@H](C)C(=O)N[C@@H](C)c2cccc3ccccc23)cc1 13018915 PASRMZPSOAHIPC-IRXDYDNUSA-N 333.431 4.793 0 40 EJAB Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)c1 13710272 HWWIKLWYWZOSHD-ZDUSSCGKSA-N 337.341 4.728 0 40 EJAB CCc1ccc(O[C@@H](C)C(=O)Nc2cccc3ccc(C)nc23)cc1 15835292 MEGHVUYAZMGPKW-HNNXBMFYSA-N 334.419 4.512 0 40 EJAB C[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc(F)cc1 16446338 VYHJVJPWQOHPBY-NEPJUHHUSA-N 337.847 4.837 0 40 EJAB CC[C@@H](NC(=O)[C@H](C)Oc1ccccc1Cl)c1ccc(C)cc1 20483539 LJQRUZFQCATJAU-WMLDXEAASA-N 331.843 4.683 0 40 EJAB Cc1cc(C)nc(Sc2ccc(NC(=O)C3CCCCC3)cc2)n1 22239737 HMRZOIPRUJWSQE-UHFFFAOYSA-N 341.480 4.763 0 40 EJAB O=C(Nc1ccc(SC2CCCC2)cc1)c1cc(C2CC2)on1 30510135 UIBHLTUZSDLNDZ-UHFFFAOYSA-N 328.437 4.839 0 40 EJAB OCc1cc(Cl)cc(Cl)c1OCc1ccc(F)cc1Cl 35662556 MTOPRAMQVWMVTD-UHFFFAOYSA-N 335.589 4.857 0 40 EJAB CCOc1ccc(NC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)cc1 40095527 WZSYVDHILSDEKR-CYBMUJFWSA-N 332.831 4.964 0 40 EJAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(C)c3ncccc23)cc1C 41157012 UFUPHJYGUOSOIA-MRXNPFEDSA-N 334.419 4.566 0 40 EJAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)N[C@H](C)CCc2ccccc2)c1 44901635 VGMRHXLPVHXGQT-MJGOQNOKSA-N 339.479 4.517 0 40 EJAB O=C(Nc1ccc(F)cc1F)N1CCC[C@H]1c1ccccc1Cl 46018642 FSPSDDVECOOQQR-INIZCTEOSA-N 336.769 4.987 0 40 EJAB CC(C)c1ccc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)cc1 50547776 JTLBGUNZJQKSQF-BOPFTXTBSA-N 338.432 4.904 0 40 EJAB CC[C@H]1c2ccsc2CCN1C(=O)N[C@@H](C)c1sc(C)nc1C 57283389 AJVODLBMPZSRSZ-FZMZJTMJSA-N 349.525 4.601 0 40 EJAB O=C(Nc1ccccc1Cl)N1CCCC[C@H]1Cc1ccccc1 58160009 ZPKLGNLUKMGYCA-INIZCTEOSA-N 328.843 4.969 0 40 EJAB O=C(CSCc1c(Cl)cccc1Cl)NC1CCCCC1 58689620 ZBJHVHLQWAPXIR-UHFFFAOYSA-N 332.296 4.676 0 40 EJAB CCCCCc1ccc([C@@H](CC)N[C@@H](C)c2nnc3n2CCC3)cc1 95940743 GNKRTYNTCIBSJZ-QFBILLFUSA-N 340.515 4.759 0 40 EJAB CCOc1ccc2c(c1)C(c1ccccc1)=NNC(c1ccccc1)=N2 100581660 JAXOWPJPXYASFE-UHFFFAOYSA-N 341.414 4.519 0 40 EJAB aggregator CC(=O)c1ccc(NCc2csc(-c3ccccc3F)n2)cc1 176897635 NHPPRTFPEFDGKP-UHFFFAOYSA-N 326.396 4.764 0 40 EJAB CN(C(=O)c1ccccc1SCc1ccccc1)C1CCCC1 216263260 HHFCQGRKBBDMRB-UHFFFAOYSA-N 325.477 4.994 0 40 EJAB Cc1cc(NC(=O)c2ccc(C(C)C)cc2)cc(Br)c1O 216739216 CIPFSCZMNFVLHV-UHFFFAOYSA-N 348.240 4.839 0 40 EJAB O=C(O)[C@H](Cc1ccc(Cl)c(Cl)c1)Oc1ccc(Cl)cc1 225087954 KTCURBVGFHAWBE-AWEZNQCLSA-N 345.609 4.722 0 40 EJAB COc1ccc(NC(=S)N[C@H](C)c2ccc(F)cc2)cc1Cl 225471940 ADXMNGKTARWHGD-SNVBAGLBSA-N 338.835 4.535 0 40 EJAB CCOC1(C(=O)Nc2ccc(O[C@@H](C)CC)cc2)CCCCCC1 225710809 WFCKFQQJADYPKG-INIZCTEOSA-N 333.472 4.932 0 40 EJAB Cc1ccc(N)cc1NC(=O)c1ccc(-c2ccc(F)c(Cl)c2)o1 226764596 YQBUFENYSNQVLU-UHFFFAOYSA-N 344.773 4.882 0 40 EJAB CC1(c2nc(-c3nccc4ccccc34)no2)CCC(F)(F)CC1 528086145 ZPBWYDBVTPTAJR-UHFFFAOYSA-N 329.350 4.752 0 40 EJAB O=C(Cc1cccc(Cl)c1Cl)N1CCCC12CCCCC2 622468764 QHCQSUVZPQIBGB-UHFFFAOYSA-N 326.267 4.861 0 40 EJAB CC[C@@H](C)N(CCNc1cc(OC)cc2cccnc12)CCC(C)C 1656116 WZXGYORNSOXLGS-QGZVFWFLSA-N 343.515 4.802 0 40 EJAB CCc1ccc(C(=O)COC(=O)c2cccc(Cl)c2Cl)cc1 3343500 RZUFDQBMXTXTPM-UHFFFAOYSA-N 337.202 4.596 0 40 EJAB COC(=O)c1cc(COc2ccc3oc4ccccc4c3c2)c(C)o1 3658107 BEJJQJGEZNPZIO-UHFFFAOYSA-N 336.343 4.853 0 40 EJAB Cc1ccc(NC(=O)[C@@H](C)Sc2ncc(-c3ccccc3)[nH]2)cc1 4129521 BMUCQYXJGGYGIN-CQSZACIVSA-N 337.448 4.504 0 40 EJAB CC(C)c1ccc(C(=O)Nc2nnc(Cc3ccccc3)s2)cc1 4695014 AIWZGKIWRLYURM-UHFFFAOYSA-N 337.448 4.505 0 40 EJAB O=C(COc1ccc(Cl)cc1)[C@@H]1CSc2ccc(Cl)cc21 5106419 MGNUXJOBUOCQBL-CQSZACIVSA-N 339.243 4.831 0 40 EJAB CC(=O)c1ccc(OCCCC(=O)Nc2ccccc2C(C)C)cc1 5673004 LXHBLAPDRKOZMI-UHFFFAOYSA-N 339.435 4.810 0 40 EJAB Cc1ccc(NC(=S)Nc2ccc3[nH]c(C(C)(C)C)nc3c2)cc1 6653619 QJGOPBVLSPVUSZ-UHFFFAOYSA-N 338.480 4.978 0 40 EJAB Cc1ccccc1-c1n[nH]c(SCCOc2ccc(Cl)cc2)n1 7342019 WTTKVJBDJPEZOH-UHFFFAOYSA-N 345.855 4.605 0 40 EJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(OC(C)C)cc1 8041037 DVWXIBJDGYZKTK-GOSISDBHSA-N 347.842 4.923 0 40 EJAB Cc1cccc(-n2c(C)nnc2S[C@@H](C)c2ccc(F)cc2)c1 8427792 VNZAMDUUMABYJJ-ZDUSSCGKSA-N 327.428 4.877 0 40 EJAB Clc1cc(Br)ccc1OCc1nc2ccccc2o1 9739850 IXGLCEDUYIYINN-UHFFFAOYSA-N 338.588 4.823 0 40 EJAB O=C(CCc1ccccc1Cl)Nc1ccccc1Br 10457783 JZPAQFDZUURAJE-UHFFFAOYSA-N 338.632 4.674 0 40 EJAB CCc1cccc2cc3c(nc12)O[C@@H](C)CN(CCc1ccccc1)C3 13563849 WROVGMAVROOQPM-KRWDZBQOSA-N 346.474 4.623 0 40 EJAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccccc1Cl 13708510 NTOUXQYDFQYWMQ-CQSZACIVSA-N 339.822 4.577 0 40 EJAB COc1ccc2c(CC(=O)N[C@H](C)c3cc4ccccc4o3)coc2c1 14071452 KVUQZEOSTDKVSW-CYBMUJFWSA-N 349.386 4.608 0 40 EJAB CCc1ccc(OCC(=O)N[C@@H](CC(C)C)c2ccccc2)cc1 20452337 HVYUGFDNJHGKJG-FQEVSTJZSA-N 325.452 4.531 0 40 EJAB CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1Cl 20486788 UOKLPYUYJNCRBC-UHFFFAOYSA-N 328.626 4.919 0 40 EJAB Cc1ccc([C@H](Nc2ccc(C(C)(C)C)cc2)P(=O)(O)O)cc1 24769697 FSSYHJFBZGETBD-QGZVFWFLSA-N 333.368 4.581 0 40 EJAB CCc1ccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)s1 24831526 CXUJRSCVJONWFJ-CQSZACIVSA-N 342.489 4.898 0 40 EJAB CC(C)CC[C@@H](CC(=O)NCc1ccco1)[C@@H]1CCOC(C)(C)C1 26961435 VPXAGZGTQSBXPJ-DLBZAZTESA-N 335.488 4.544 0 40 EJAB Cc1cc(C(=O)N[C@H]2CCSc3c(F)cccc32)c(C)n1C1CC1 28043889 OPOBUGRKWVOAQX-KRWDZBQOSA-N 344.455 4.546 0 40 EJAB CCOc1ccc(OCC)c(NC(=O)c2cc3c(s2)CCCC3)c1 29482959 KKXPRCHKRJGUJS-UHFFFAOYSA-N 345.464 4.677 0 40 EJAB CCCCc1ccc(NC(=O)c2ccc(Cn3ccnc3)cc2)cc1 30938279 OWRQQTDBLGYACY-UHFFFAOYSA-N 333.435 4.526 0 40 EJAB Cc1nc(C)c(-c2nnc(S[C@@H](C)c3ccc(F)cc3)o2)s1 37163390 QVTYCNFZIWKBQJ-VIFPVBQESA-N 335.429 4.802 0 40 EJAB O=C(CCc1cccc(Cl)c1Cl)N(Cc1ccncc1)C1CC1 47840396 GDHCUWOGPZCEBY-UHFFFAOYSA-N 349.261 4.512 0 40 EJAB Fc1ccc(OCc2nnc(SCCCc3ccccc3)o2)cc1 48313769 GWMVYQTZPHAYNP-UHFFFAOYSA-N 344.411 4.513 0 40 EJAB COc1ccc2oc(Nc3nc4c(C)cc(C)cc4s3)nc2c1 57352874 YCTPNJDINUASLG-UHFFFAOYSA-N 325.393 4.807 0 40 EJAB CCn1c2ccccc2c2cc(NC(=O)Cc3ccccc3O)ccc21 65474501 IVCNUZDSLMNBEU-UHFFFAOYSA-N 344.414 4.701 0 40 EJAB CC(C)c1nc([C@H](C)NC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)cs1 74160088 BBUQAZZAZYJWQI-NILFDRSVSA-N 348.899 4.901 0 40 EJAB COc1ccc(C)cc1[C@H](C)NC(=O)Nc1scnc1C(C)(C)C 75094147 NZLQIDCOCWEYNG-LBPRGKRZSA-N 347.484 4.640 0 40 EJAB O=C(O)c1cccc(NCc2ccccc2OCc2ccccc2)c1 76275768 QZFORRNYSFPTIW-UHFFFAOYSA-N 333.387 4.576 0 40 EJAB CCc1ccc([C@H](C)NC(=O)[C@H](CC)Oc2ccccc2Cl)cc1 78458498 JCIIKYMFLHWWNH-KSSFIOAISA-N 345.870 4.937 0 40 EJAB COc1ccsc1C(=O)Nc1nc(-c2ccc(F)c(C)c2)cs1 79060162 FPWRREMTGWGHTP-UHFFFAOYSA-N 348.424 4.580 0 40 EJAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)CC(=O)C[C@@H]32)C1 118927268 RAVPGOUPQFSNSA-DZNVSHMXSA-N 332.484 4.530 0 40 EJAB O=C(Nc1ccc(F)c(F)c1)c1cccc(OCc2ccccc2)c1 218976965 PUWDNJOJBQMYBP-UHFFFAOYSA-N 339.341 4.796 0 40 EJAB Cc1ccc(OCCCC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1 223442837 NVBZUOFXSYJZCC-IBGZPJMESA-N 339.479 4.957 0 40 EJAB COCc1cccc(NC(=O)[C@@H](C)Cc2cccc3ccccc23)c1 224943150 IQAQLRIQZIJCIS-INIZCTEOSA-N 333.431 4.804 0 40 EJAB CC(C)Oc1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 224987251 MKYLZMWWPLROIZ-UHFFFAOYSA-N 347.842 4.923 0 40 EJAB Cc1ccccc1[C@@H](NC(=O)CCc1ccccc1F)c1ccccc1 225318454 LFJHSQJTRIZULN-QHCPKHFHSA-N 347.433 4.973 0 40 EJAB CCc1nc2cc(C(=O)Nc3cccc4ccccc34)ccc2n1C 225896382 NKJLSDGEKYZDHJ-UHFFFAOYSA-N 329.403 4.541 0 40 EJAB Cc1cccc(NC(=O)[C@H](C)c2cccc(C(=O)c3ccccc3)c2)c1 363668 ILPWLUNJJUKVIU-QGZVFWFLSA-N 343.426 4.968 0 40 EJAB COc1ccc(/C=C2/C(=O)N(c3ccccc3)c3ccccc32)cc1 574940 OYPSQJNCKVEANX-HMMYKYKNSA-N 327.383 4.914 0 40 EJAB O=C(Nc1ccc(CO)cc1)OCC1c2ccccc2-c2ccccc21 2541564 AMCNVVZGRKIDRW-UHFFFAOYSA-N 345.398 4.540 0 40 EJAB CCc1nc2ccccc2n1CC(=O)Nc1c(Cl)cccc1Cl 3337648 YBMBPTKPJOOHKZ-UHFFFAOYSA-N 348.233 4.544 0 40 EJAB CCCn1c([C@@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)nc2ccccc21 4033521 OQSGQXPICUFVAD-QGZVFWFLSA-N 347.462 4.584 0 40 EJAB COc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c(OC)c1 4822852 ZWXACLLBPYIXPD-UHFFFAOYSA-N 349.386 4.748 0 40 EJAB CCn1nc(-c2ccc(OC)cc2)c2ccc(OC)c3cccc1c32 5164594 ROTYKDMSHYKCOU-UHFFFAOYSA-N 332.403 4.894 0 40 EJAB Cc1cccc(-n2c(C)nnc2SCc2ccccc2Cl)c1 5359538 HMUGMLXYHXCFIC-UHFFFAOYSA-N 329.856 4.830 0 40 EJAB COc1ccc(CCC(=O)Nc2ccccc2Cc2ccccc2)cc1 6838664 UDPXGJJDBCJHDC-UHFFFAOYSA-N 345.442 4.857 0 40 EJAB Cc1nc(SC[C@@H]2CCCO2)c2cc(-c3ccccc3)sc2n1 7111324 VSGCLXAVICPYQB-AWEZNQCLSA-N 342.489 4.938 0 40 EJAB O=C(Nc1ccc2ccccc2n1)c1ccc(COc2ccccc2)o1 12376796 HYXGATZKHDYURN-UHFFFAOYSA-N 344.370 4.659 0 40 EJAB Cc1cc2cc(CNc3cccc(Cl)c3C)c(=O)[nH]c2cc1C 12493401 AVEYRQPOTGWHEN-UHFFFAOYSA-N 326.827 4.719 0 40 EJAB COc1ccc2c(c1)CCC1=C2CC[C@]2(C)C1=CCC[C@H]2OC(C)=O 16321658 JDNDEPILENCXAF-FGZHOGPDSA-N 338.447 4.847 0 40 EJAB Clc1ccc([C@H]2[C@H]3CCCC[C@@H]3[C@@H]2NCc2ccccn2)cc1 19401955 NDXXEALOHDYODB-MUGJNUQGSA-N 326.871 4.797 0 40 EJAB CSCc1ccc(C(=O)Nc2nc(-c3cccs3)cs2)cc1 21247702 BNPXPNLUKHBODS-UHFFFAOYSA-N 346.502 4.987 0 40 EJAB Cc1nc(-c2cccnc2)sc1C(=O)Nc1ccc(F)c(Cl)c1 22237510 YDTLSAHCJQAQQE-UHFFFAOYSA-N 347.802 4.558 0 40 EJAB O=C(CCc1ccccc1Cl)NCc1cccc(C(F)(F)F)c1 32994786 FBMIBLUWOKIFCT-UHFFFAOYSA-N 341.760 4.608 0 40 EJAB O=C(Nc1ccccc1C(F)(F)F)c1csc(-c2ccco2)n1 40052271 NODVUFMTFLKQKY-UHFFFAOYSA-N 338.310 4.674 0 40 EJAB CC(C)(C)n1ncc2c1CCC[C@@H]2NC(=O)c1ccc2ccccc2c1 40150203 CSJOWRSQPZWYQG-IBGZPJMESA-N 347.462 4.599 0 40 EJAB O[C@H](c1ccc(Br)cc1)c1cc(Cl)cc(Cl)c1 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345.870 4.910 0 40 EJAB CC(C)(C)c1ccccc1OCCNC(=O)c1ccc(Cl)cc1F 223735390 BTBIFABIMUMKQW-UHFFFAOYSA-N 349.833 4.585 0 40 EJAB CCSc1ccccc1C(=O)NCCOc1ccc(C)c(Cl)c1 224170354 SNIBLLSNGCVYME-UHFFFAOYSA-N 349.883 4.569 0 40 EJAB CC1(C)C[C@H](NC(=O)c2ccc3c(c2)CCCC3)c2ccccc2O1 225632124 WKMJAUIWYUFHDP-IBGZPJMESA-N 335.447 4.598 0 40 EJAB C[C@H](CC(C)(C)c1ccccc1)NC(=S)Nc1cccc(F)c1 225659498 BVIPKCRNOCGYQS-CQSZACIVSA-N 330.472 4.869 0 40 EJAB CCC1(CC)C[C@H](NC(=O)NC2CCCCC2)c2ccccc2O1 225754157 NPWNRORWXJBXNK-KRWDZBQOSA-N 330.472 4.701 0 40 EJAB CCc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)cc1 225768635 RIRHBWQJXYFSLJ-ZWKOTPCHSA-N 339.479 4.819 0 40 EJAB Fc1ccccc1Cc1cnc([C@H]2CCCN(C3CCCC3)C2)o1 257247857 JAWSAXZREWFQIP-INIZCTEOSA-N 328.431 4.527 0 40 EJAB FC(F)c1cc(NCCc2ccccn2)c2cc(Cl)ccc2n1 567539557 GWJRRZIKDFUVBT-UHFFFAOYSA-N 333.769 4.875 0 40 EJAB O=C(/C=C/c1c(Cl)cccc1Cl)NCc1ccc(Cl)cc1 149992 VFYWTIGYJLDYDN-CMDGGOBGSA-N 340.637 4.976 0 40 EJAB CCCN1C(=O)N(c2ccc(Cl)cc2Cl)[C@](C)(O)CC1(C)C 495207 MKYDLDIXSLNAMX-MRXNPFEDSA-N 345.270 4.523 0 40 EJAB OC1=NC(=S)S/C1=C/c1ccc(OCc2ccccc2)cc1 973835 LNPKMUHSBCXBNB-XNTDXEJSSA-N 327.430 4.595 0 40 EJAB CCOC(=O)c1c(C)n(-c2cccc(Cl)c2)c2ccc(OC)cc12 1430460 AKNUODUFGGJOHH-UHFFFAOYSA-N 343.810 4.778 0 40 EJAB Cc1c(Cl)cccc1NC(=O)/C=C/c1ccc(Br)o1 3188636 WAAWHFKQBUKOID-SOFGYWHQSA-N 340.604 4.656 0 40 EJAB Cc1ccccc1NCC(=O)Nc1ccccc1Oc1ccccc1 3340191 KWXNOWCBVSKCCP-UHFFFAOYSA-N 332.403 4.838 0 40 EJAB C[C@H]1CN=C(N(C(=O)Nc2ccccc2)c2cccc(Cl)c2)S1 4207791 RYWRIKSQSNQZCX-LBPRGKRZSA-N 345.855 4.870 0 40 EJAB O=C(NC(=S)N(C1CCCCC1)C1CCCCC1)c1ccccc1 4506918 XFHGVLZAGMMQDH-UHFFFAOYSA-N 344.524 4.669 0 40 EJAB CCOC(=O)c1ccc(Cl)c(NC(=O)[C@@H](CC)c2ccccc2)c1 4660001 HSDGSVVNVWAMFV-HNNXBMFYSA-N 345.826 4.649 0 40 EJAB Cc1c(OCc2cccc(Cl)c2)ccc2c3c(c(=O)oc12)CCC3 4746041 JGCUOUVIRQXWKX-UHFFFAOYSA-N 340.806 4.823 0 40 EJAB CCCn1c(C(=O)OC(C)C)cc2c1ccn2-c1ccc(F)cc1 4932126 PBWXOYZYKCGIHC-UHFFFAOYSA-N 328.387 4.546 0 40 EJAB CSc1cccc(C(=O)Nc2nc3c(C)c(C)ccc3s2)c1 5222645 CADZJUAZYXHLCH-UHFFFAOYSA-N 328.462 4.887 0 40 EJAB O=C(/C=C/c1nc2ccccc2s1)N1CCC[C@@H]1c1cccs1 6654203 KDNNYPAYZVYCAQ-ATWMFIQVSA-N 340.473 4.735 0 40 EJAB COc1ccc(-c2nnc(S[C@@H](C)c3ccccc3)o2)cc1OC 8231535 PQUPGRNOFNHASS-LBPRGKRZSA-N 342.420 4.607 0 40 EJAB CCOc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC 8286734 MCIARQKNPQVNSI-UHFFFAOYSA-N 340.206 4.653 0 40 EJAB CC[C@@H](C)NCc1cc(Cl)c(OCc2ccccc2)c(OC)c1 8325908 PXGWCYPBORPPQE-CQSZACIVSA-N 333.859 4.816 0 40 EJAB COc1cccc(C2=NN(c3nc(C)cs3)[C@@H](c3ccccc3)C2)c1 9486512 SHMIRVJWSGJZPE-LJQANCHMSA-N 349.459 4.816 0 40 EJAB C[C@@H](NC(=O)N[C@H](C)c1ccc(F)cc1F)c1cc2ccccc2o1 10281424 QYYHCCIPPQWQEF-VXGBXAGGSA-N 344.361 4.832 0 40 EJAB Cc1ccc(OCc2nnc(SCc3ccccc3C)o2)cc1 10475563 FJAPQHXGECEISF-UHFFFAOYSA-N 326.421 4.558 0 40 EJAB COc1cccc(Oc2nc3c(Cl)c(C)nn3c3ccccc23)c1 12788505 NBOLMWYGWSGUEN-UHFFFAOYSA-N 339.782 4.645 0 40 EJAB Cc1ccc(O[C@H](C)C(=O)N[C@@H](C)c2cccc3ccccc23)cc1 13018911 PASRMZPSOAHIPC-DLBZAZTESA-N 333.431 4.793 0 40 EJAB Cc1ccc(CC(=O)NCCSCc2ccc(Cl)cc2)cc1C 13680268 UCLFPLHEOKIDLY-UHFFFAOYSA-N 347.911 4.549 0 40 EJAB CCc1cccc(CC)c1NC(=O)[C@@H]1Cc2ccc(C)cc2S1 14093209 LIOVEEJXEBGSIU-SFHVURJKSA-N 325.477 4.775 0 40 EJAB CCOc1ccc(NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 14401016 CSFCTNMJUMYJMX-AWEZNQCLSA-N 347.842 4.762 0 40 EJAB CCc1nn2c(c1-c1ccc(OC)cc1)N=C(C)C[C@@H]2c1ccco1 14607654 CJQRYWZFDXGVDF-QGZVFWFLSA-N 335.407 4.800 0 40 EJAB COc1ccc2cc([C@H](C)C(=O)N3CCc4ccccc43)ccc2c1 15580153 HJFIJESOJOCDGH-HNNXBMFYSA-N 331.415 4.541 0 40 EJAB Cc1cc(NC(=O)c2ccc(Cl)cc2)ccc1-c1ccc(CO)o1 20138255 CIDIGGHUKYWXHQ-UHFFFAOYSA-N 341.794 4.653 0 40 EJAB CCOc1ccc(C(=O)c2cc3cc(Br)ccc3o2)cc1 20362311 FDWITTLVIJBHSS-UHFFFAOYSA-N 345.192 4.825 0 40 EJAB Cc1nc(S[C@@H](C)C(=O)NC2CCCC2)n(C2CCCCC2)c1C 24932769 RUAPENYZCAINPD-HNNXBMFYSA-N 349.544 4.545 0 40 EJAB Cc1ccccc1CC(=O)Nc1ccc(-c2cnc(C3CC3)o2)cc1 25932022 CINGNHNRMMEJEY-UHFFFAOYSA-N 332.403 4.709 0 40 EJAB O=C(N[C@@H](c1ccccc1)c1cccs1)c1cccc2ncccc12 26940765 DWBDELQLQVZBFM-FQEVSTJZSA-N 344.439 4.816 0 40 EJAB Cc1ccc2c(C)c(C(=O)Nc3nc(-c4ccccc4)ns3)oc2c1 28287331 OOZHIKJSBIVUGL-UHFFFAOYSA-N 349.415 4.820 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)c2ccc(Br)cc2)c(C)c1 30853927 DNCIFZHSHYUQMO-CYBMUJFWSA-N 332.241 4.557 0 40 EJAB O=C(c1cc(C2CC2)nc2ccccc12)N1CCC[C@H](C(F)(F)F)C1 39976157 NAQKKJBPBCATSP-ZDUSSCGKSA-N 348.368 4.527 0 40 EJAB O=C(Nc1ccccn1)N[C@@H](c1ccc(Cl)cc1)c1cccs1 47152987 CAGRJAAKITVHQL-INIZCTEOSA-N 343.839 4.708 0 40 EJAB Cc1ccc([C@H](C)NC(=O)COc2ccc3oc4ccccc4c3c2)o1 58414481 HCDLKZKJADSNCT-AWEZNQCLSA-N 349.386 4.744 0 40 EJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1cc(C)ccc1C 59351531 MGDCPZMSSZVAPU-KXBFYZLASA-N 345.870 4.992 0 40 EJAB COc1cccc([C@H](C)N2CCC(c3nc4ccccc4[nH]3)CC2)c1 72309164 OEJHUAJNDSIKGH-HNNXBMFYSA-N 335.451 4.512 0 40 EJAB C[C@H](COc1ccc(Cl)cc1)NC(=O)c1ccc(C(C)(C)C)cc1 80345933 FZFAMMCGYJJVLD-CQSZACIVSA-N 345.870 4.835 0 40 EJAB Cc1cnc(Nc2nc3ccc(OC(F)(F)F)cc3s2)s1 96231976 LEDHQEQHCRJVER-UHFFFAOYSA-N 331.344 4.703 0 40 EJAB O=C(Nc1ccccc1-c1cccs1)c1cc2c(s1)CCOC2 102981041 DNNIXAJJKNOKDG-UHFFFAOYSA-N 341.457 4.802 0 40 EJAB CC(C)(Cc1ccccc1)NC(=O)CSc1ccc(Cl)cc1 223275136 RGCHHRZDNDAMTD-UHFFFAOYSA-N 333.884 4.570 0 40 EJAB CCOc1ccc(C(=O)N[C@@H](C)CC)cc1CSc1ccccc1 224648878 LTQPHPWQDXQKBK-HNNXBMFYSA-N 343.492 4.906 0 40 EJAB Cc1cc(C)c(C[C@H](Oc2ccccc2C(C)(C)C)C(=O)O)c(C)c1 225136161 AMYZYQZUIXPHTJ-FQEVSTJZSA-N 340.463 4.984 0 40 EJAB CC[C@@H](NC(=O)Nc1cccc(Cl)c1)c1ccc(OC)c(C)c1 225322645 LJYHRJYDDYJATK-MRXNPFEDSA-N 332.831 4.930 0 40 EJAB CC[C@@H](CNC(=S)Nc1ccc(Cl)cc1)Cc1ccccc1 225629793 ZYUVZGNZCBGBTP-CQSZACIVSA-N 332.900 4.895 0 40 EJAB COc1cc(C)c(C(=O)NCCCc2ccc(C)cc2)cc1C(C)C 225661360 DODBKIBOIFHULP-UHFFFAOYSA-N 339.479 4.798 0 40 EJAB CCc1cc(Br)cc(C)c1NC(=O)c1ccccc1OC 226093224 LXUXJSKCUWMOKY-UHFFFAOYSA-N 348.240 4.581 0 40 EJAB Cc1ccccc1C(=O)Nc1ccc(-c2ccc(C(=O)O)o2)c(C)c1 226356368 DZMMMOKVEOQARI-UHFFFAOYSA-N 335.359 4.514 0 40 EJAB CC[C@H](C(=O)NCc1cccnc1-c1ccsc1)c1ccccc1 585366686 PJDPPQYUZAQVRD-SFHVURJKSA-N 336.460 4.620 0 40 EJAB COc1ccccc1O[P@@](C)(=O)Nc1cc(Cl)ccc1C 326104 LAUXOQQIVLLHOY-OAQYLSRUSA-N 325.732 4.971 0 40 EJAB CCCc1nc2sc3c(OC(C)C)ncnc3c2c2c1CCCC2 547940 LIZWMPOJVQEJAS-UHFFFAOYSA-N 341.480 4.858 0 40 EJAB COc1cc2cc(-c3ccc(Cl)c(Cl)c3)[n+](C)cc2cc1OC 1565431 DWPYTXWHOCRIBP-UHFFFAOYSA-N 349.237 4.655 0 40 EJAB COc1ccc2c(c1)c1nc(C)sc1n2Cc1ccccc1F 2230389 GMOOAKRPJAHVAN-UHFFFAOYSA-N 326.396 4.755 0 40 EJAB CC(C)Sc1nc2ccccc2c(=O)n1-c1ccc(F)c(Cl)c1 2618603 YAHAZYCSDYEGEP-UHFFFAOYSA-N 348.830 4.679 0 40 EJAB CCOc1ccccc1OCC(=O)Nc1ccc([C@H](C)CC)cc1 3326174 AOTGXQWICGYFIA-OAHLLOKOSA-N 327.424 4.616 0 40 EJAB CC(=O)c1cccc(NC(=O)/C=C/c2cccc(C(F)(F)F)c2)c1 3561822 HXLXHYMXCBKTNM-CMDGGOBGSA-N 333.309 4.560 0 40 EJAB Cc1nc(Nc2ccc(OC(F)F)cc2)c2c3c(sc2n1)CCC3 4883250 WWCIYPRIHOVWQK-UHFFFAOYSA-N 347.390 4.833 0 40 EJAB Cc1ccc(C)c(NC(=S)NCCSCc2ccccc2F)c1 7369398 JGXZJYYBCBQTOL-UHFFFAOYSA-N 348.512 4.662 0 40 EJAB O=C(c1ccc(F)c(F)c1)c1cc2cc(Br)ccc2o1 15215855 HTSXWPPWDBTUTP-UHFFFAOYSA-N 337.119 4.705 0 40 EJAB Cc1c(C(=O)Nc2ccc3nsnc3c2)oc2ccc(Cl)cc12 15841344 IWQVEZHNHMHXAQ-UHFFFAOYSA-N 343.795 4.652 0 40 EJAB Cc1ccc2c(C)c(C(=O)Nc3ccc4nsnc4c3)oc2c1C 15841355 BBUQCKKWTZJYQW-UHFFFAOYSA-N 337.404 4.615 0 40 EJAB COc1ccc(S[C@H](C)C(=O)Nc2cccc(OC(C)C)c2)cc1 19932601 NPNXBFDSISLOKQ-CQSZACIVSA-N 345.464 4.602 0 40 EJAB COc1ccc2cc([C@@H](C)C(=O)NCCC3=CCCCC3)ccc2c1 23053323 ZNIYUJKZEKTSRF-MRXNPFEDSA-N 337.463 4.959 0 40 EJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1OC 30864681 ZEGRTOUAUIUAMM-MRXNPFEDSA-N 335.856 4.858 0 40 EJAB O=C1S/C(=C\c2ccccc2F)C(=O)N1c1ccc(Cl)cc1 39860681 QNBIKVFOXXCJCL-ZROIWOOFSA-N 333.771 4.720 0 40 EJAB O=C(NCc1cccc(C(F)(F)F)c1)c1cc2c(s1)CCCC2 57416278 UJECLAPKXAUEEZ-UHFFFAOYSA-N 339.382 4.576 0 40 EJAB C[C@H](C(=O)c1c[nH]c2ccccc12)N(C)Cc1ccc(Cl)s1 57676544 HBAQECIFBSZKHB-LLVKDONJSA-N 332.856 4.586 0 40 EJAB Cc1nn(C)c(C)c1[C@H](C)C(=O)Nc1ccc2c(c1)oc1ccccc12 58356849 JCGPYVGAZLARJE-LBPRGKRZSA-N 347.418 4.679 0 40 EJAB Cc1ccccc1NC(=O)N(C)[C@H](c1cccc(F)c1)c1ccccn1 65607114 UCKXUMIWNZYNCK-HXUWFJFHSA-N 349.409 4.782 0 40 EJAB COc1cc(OC/C=C(\C)CCC=C(C)C)cc2oc(=O)ccc12 87493098 ORBVONLAJRGOAY-XNTDXEJSSA-N 328.408 4.873 0 40 EJAB biogenic Cc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)C(C)(C)Br 223238148 QJBSITIDTBQCHK-LBPRGKRZSA-N 338.289 4.787 0 40 EJAB Cc1ccc(C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)c(C)c1 225179131 NUEHXLNAWKEMJT-UHFFFAOYSA-N 340.448 4.513 0 40 EJAB CCCC[C@](C)(OC)C(=O)Nc1ccc(OCc2ccccc2)cc1 225617751 OMUHLFYRYRABFU-NRFANRHFSA-N 341.451 4.799 0 40 EJAB CCc1ccc([C@H](C)NC(=O)CCSCc2ccccc2)cc1 225716351 GBMZMCKMLZKZCU-INIZCTEOSA-N 327.493 4.750 0 40 EJAB Cc1ccc(-c2nnsc2C(=O)Nc2ccc(C)c(Cl)c2)cc1 225774269 HDVJWXMWTXAKFZ-UHFFFAOYSA-N 343.839 4.728 0 40 EJAB CCCCN(CCCC)S(=O)(=O)c1ccc2c3c(cccc13)CC2 226862307 VNRAQJMBWCXUFO-UHFFFAOYSA-N 345.508 4.529 0 40 EJAB Cc1ccc(C(=O)Sc2nnc(-c3ccccc3Cl)o2)cc1 408587785 UODMVUPXIVMZRL-UHFFFAOYSA-N 330.796 4.631 0 40 EJAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 408705575 IXTMDCCQIWAEOR-VIFPVBQESA-N 328.170 4.539 0 40 EJAB CC(C)(C)c1ccc(C(=O)NCCSCc2cccs2)cc1 408908624 WUCOOLXSHDBDKB-UHFFFAOYSA-N 333.522 4.709 0 40 EJAB Cc1nc(C(F)(F)F)ccc1C(=O)N[C@H]1CCCCC12CCCC2 622608929 RNINQHWJSMKSCF-AWEZNQCLSA-N 340.389 4.642 0 40 EJAB Nc1c(C(=O)c2ccccc2)sc2nc3c(cc12)CCCCCC3 496323 ZEZQJKHUYAFYNK-UHFFFAOYSA-N 336.460 4.769 0 40 EJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N1CCc2ccccc21 1001672 KBWYGSSECXLYSO-NRFANRHFSA-N 331.415 4.587 0 40 EJAB C[C@@H]1CC2=C(C[C@H]1[C@@H]1OC[C@H](CN3CCCCC3)O1)C(C)(C)CCC2 2105894 GWNYATQURCVOGA-WQZMEWCLSA-N 347.543 4.767 0 40 EJAB CC(=O)c1cccc(NC(=O)CSc2ccc3ccccc3c2)c1 3382539 TZIXCGYXBZJVDO-UHFFFAOYSA-N 335.428 4.773 0 40 EJAB O=C(CSc1ccc(F)cc1)Nc1cc(Cl)ccc1Cl 4414803 XXJVVNFCAXLFNM-UHFFFAOYSA-N 330.211 4.863 0 40 EJAB Cn1c(-c2ccc(Cl)cc2)cnc1NCc1ccc(F)cc1F 4678460 YKGCQCHIIINOOX-UHFFFAOYSA-N 333.769 4.631 0 40 EJAB Cc1sc(NC(=O)c2ccccc2F)nc1-c1ccc(F)cc1 5674340 NUUSYYDWDKAEBD-UHFFFAOYSA-N 330.359 4.649 0 40 EJAB CC(C)(C)CC(=O)Nc1ccc(Br)cc1Br 5937154 YYJDACTVCBIAIE-UHFFFAOYSA-N 349.066 4.586 0 40 EJAB CC(C)CC[C@@H](CCNC1CCN(C)CC1)c1ccc(Cl)cc1 6670460 NCFHPFLZMUSCGW-SFHVURJKSA-N 336.951 4.934 0 40 EJAB O=C(OCc1nc2ccccc2o1)C1(c2ccccc2F)CCCC1 8278196 KAOGQEZRQDQGTC-UHFFFAOYSA-N 339.366 4.522 0 40 EJAB c1ccc(-c2cnc(CSc3nnc(-c4ccccc4)o3)o2)cc1 8281699 KSARYQYYGNUINJ-UHFFFAOYSA-N 335.388 4.684 0 40 EJAB C[C@H](NC(=O)N[C@@H](C)c1ccc(F)cc1F)c1cc2ccccc2o1 10281411 QYYHCCIPPQWQEF-RYUDHWBXSA-N 344.361 4.832 0 40 EJAB Cc1ccc(NC(=O)CCc2ncc(-c3ccccc3F)o2)c(C)c1 12618906 GWEBUHAHROAHJS-UHFFFAOYSA-N 338.382 4.669 0 40 EJAB Cc1ccc(/C=C/C(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1 12792840 GEMIIIIDPISAFG-HHNLSAEISA-N 348.471 4.982 0 40 EJAB CCC[C@@H](C)NC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 12801225 UFCXJOAACVNMKR-LLVKDONJSA-N 325.330 4.884 0 40 EJAB COc1ccc(NC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)cc1 12949479 PAUPFFSEDFCNGO-KRWDZBQOSA-N 330.815 4.718 0 40 EJAB CC[C@@H]1Oc2c(OC)cccc2[C@H]2CC(c3ccc(Cl)cc3)=NN12 13810877 VQRSHEPBZSIBCI-AEFFLSMTSA-N 342.826 4.628 0 40 EJAB O=C(CCCOc1ccc(Cl)cc1)Nc1ccc(F)c(Cl)c1 14396331 LLKCDSXLJBXJSI-UHFFFAOYSA-N 342.197 4.930 0 40 EJAB CC[C@@H](C)Oc1cccc(C(=O)Nc2cccc3ccc(C)nc23)c1 16610476 CMHJOUJQXATUJW-OAHLLOKOSA-N 334.419 4.973 0 40 EJAB Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCN2C(=O)CC(C)C)n1 19691509 QKEBMIVKQYSTOW-HXUWFJFHSA-N 340.442 4.906 0 40 EJAB CCc1cccc(CC)c1NC(=O)[C@H](CC)Oc1cccc(OC)c1 20485701 GVQLZJHCQCNFCC-IBGZPJMESA-N 341.451 4.616 0 40 EJAB CC(=O)c1ccc(NCc2ncc(-c3cccc(Cl)c3)o2)cc1 32753205 OGAHDWZHIOHJJM-UHFFFAOYSA-N 326.783 4.810 0 40 EJAB Cc1cc(Cl)ccc1O[C@H](C)Nc1ccc(Cl)c(C(=O)O)c1 35655147 DSRUKUHRZKXSPF-SNVBAGLBSA-N 340.206 4.837 0 40 EJAB C[C@H]1C[C@@H](C)CN(C(=O)c2ccc3noc(-c4ccccc4)c3c2)C1 39979719 XDUXWZWVCSZXDO-GASCZTMLSA-N 334.419 4.613 0 40 EJAB CCN(Cc1nc(-c2ccsc2)no1)Cc1ccc(Cl)s1 39987553 PQCKOVZUDCCVNJ-UHFFFAOYSA-N 339.873 4.535 0 40 EJAB Cc1cc2cc(NC(=O)c3ccc(Br)s3)ccc2[nH]1 40081314 DAWULDNMIVAFPU-UHFFFAOYSA-N 335.226 4.553 0 40 EJAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N[C@H](C)c1ccc(C)cc1C 44850460 ZETYMKLZHOQLMG-UYAOXDASSA-N 339.479 4.955 0 40 EJAB CCCN(CC)c1ccc(C(=O)N(C2CC2)[C@@H](C)c2ccco2)cc1 60335657 IUTCUTXGTBRYAB-INIZCTEOSA-N 340.467 4.882 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Sc2nc3ccccc3s2)o1 95447713 YQYHITCCIHLCCY-VXGBXAGGSA-N 346.477 4.556 0 40 EJAB C[C@H](Sc1ccccc1Cl)C(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 105546240 OKZFARHJYYALPG-QTVXIADOSA-N 337.916 4.762 0 40 EJAB CSc1ccc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)cc1 211501011 QOCZSZIFVLSKEX-GDNBJRDFSA-N 343.429 4.768 0 40 EJAB CSc1ccccc1C(=O)N1CCS[C@H](c2cccs2)CC1 219495039 ZBLVATHRIYIBSZ-INIZCTEOSA-N 349.546 4.790 0 40 EJAB Cc1cccc(CCCNC(=O)CCc2cccc3ccccc23)c1 222672840 YBDIAEPKLCNISH-UHFFFAOYSA-N 331.459 4.830 0 40 EJAB CCOC1(C(=O)Nc2ccc(OCC(C)C)c(C)c2)CCC(C)CC1 225721184 BMWGWILLWAOHDJ-UHFFFAOYSA-N 347.499 4.954 0 40 EJAB COc1ncc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1C 225862929 RKISPJQTQIMLEA-UHFFFAOYSA-N 344.842 4.503 0 40 EJAB Cc1ccnc(NC(=S)NC2(c3ccccc3Cl)CCCC2)c1 225873399 SLNNGQYTTOSATQ-UHFFFAOYSA-N 345.899 4.799 0 40 EJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NC12CC3CC(CC(C3)C1)C2 408681279 RGDGRHYVMLYTJP-XAPRQVHKSA-N 347.886 4.582 0 40 EJAB CCCn1c(SCc2cccc(F)c2)nnc1-c1ccccc1 409086878 HPNXCYGRFUIFIX-UHFFFAOYSA-N 327.428 4.787 0 40 EJAB O=C(c1ccc(-c2ccc(F)cc2)cc1)N1[C@H]2CC[C@H]1CC(F)C2 1775968845 XECUINFMCPONRR-OALUTQOASA-N 327.374 4.598 0 40 EJAB O=Cc1ccc(-c2cc(OC(F)(F)F)cc(OC(F)(F)F)c2)o1 124989 SVRMUAADCGXYIP-UHFFFAOYSA-N 340.175 4.556 0 40 EJAB biogenic,in-vitro COc1cccc(CSc2nnc(-c3c[nH]c4ccccc34)o2)c1 414772 IYOUSKJGVYHKKW-UHFFFAOYSA-N 337.404 4.519 0 40 EJAB COc1ccc(-c2csc(N3CC[C@H](c4ccccc4)C3)n2)cc1 968732 ATYWJSBJXOJMAI-KRWDZBQOSA-N 336.460 4.813 0 40 EJAB CCCCN(Cc1ccc(OC)cc1)C[C@H](O)c1ccc(Cl)cc1 1672017 XCJDGUPOJRRALG-FQEVSTJZSA-N 347.886 4.684 0 40 EJAB c1ccc(C[n+]2sc(Nc3ccccc3)nc2-c2ccccc2)cc1 1799797 YWKXLWSLQFXBLS-UHFFFAOYSA-O 344.463 4.890 0 40 EJAB CCCSc1nc2sc(C)c(C)c2c(=O)n1-c1cccc(C)c1 2143324 IRNFMGWYXGGEQU-UHFFFAOYSA-N 344.505 4.875 0 40 EJAB Cc1nn(C)c2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)c12 2741224 FXKAIKFIEKLMCM-UHFFFAOYSA-N 325.721 4.616 0 40 EJAB CC(C)c1ccccc1NC(=S)NCCSCc1ccco1 3331502 IGGVCJCDAKXWHC-UHFFFAOYSA-N 334.510 4.623 0 40 EJAB CC(C)c1ccccc1NC(=S)NCCc1ccc(Cl)cc1 3368432 AWRCVLKHWFYBKL-UHFFFAOYSA-N 332.900 4.993 0 40 EJAB COc1cccc(C2=NN3[C@@H](C2)c2ccccc2OC32CCCC2)c1 5016982 LUTUIERBGPSTFI-IBGZPJMESA-N 334.419 4.509 0 40 EJAB C[C@@H]1CN(c2ccccc2)N(c2ccccc2)C(c2ccccc2)=N1 6183217 MSKFWYDEGZPQBT-GOSISDBHSA-N 327.431 4.764 0 40 EJAB COc1ccccc1CSc1nnc(-c2c[nH]c3ccccc23)o1 6510098 NDLMHADRVALVGA-UHFFFAOYSA-N 337.404 4.519 0 40 EJAB O=C1c2ccccc2N[C@H](c2ccccc2)N1c1ccc(F)c(F)c1 9422521 ANUGODRVDVQQMS-IBGZPJMESA-N 336.341 4.736 0 40 EJAB Cc1ccc([C@@H](N[C@@H](C)C(=O)Nc2ccc(C)c(F)c2)C2CC2)cc1 10351439 CSZYKZMDYFNJRB-MGPUTAFESA-N 340.442 4.510 0 40 EJAB CC(=O)Nc1ccc(NC(=O)c2ccc(CC(C)C)cc2)cc1Cl 12736935 JDMOUSSXIMFVFX-UHFFFAOYSA-N 344.842 4.749 0 40 EJAB Cc1ccc(C2=NNC(c3ccc(Cl)cc3)=Nc3ccccc32)o1 13151246 NSONTBHSAVLNNR-UHFFFAOYSA-N 335.794 4.675 0 40 EJAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1c[nH]c2ccccc12 14198874 INGRRPQPRHYBHR-UHFFFAOYSA-N 342.398 4.999 0 40 EJAB CCCCSc1ccc(NS(=O)(=O)c2ccc(CC)cc2)cc1 16639453 KMIGJLSNZBTESU-UHFFFAOYSA-N 349.521 4.942 0 40 EJAB Cc1c(Cl)cccc1NC(=O)C[C@H]1Sc2ccccc2N=C1O 16956875 INZRHQMESLKTEV-OAHLLOKOSA-N 346.839 4.740 0 40 EJAB in-vitro COc1cccc(O[C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)c1 20483549 QJSMINOAKUPWBJ-HNNXBMFYSA-N 327.424 4.533 0 40 EJAB COc1cccc(C(=O)N[C@H](c2ccccc2)c2ccccc2C)c1 20492914 TYGPPUQTSUTMIV-OAQYLSRUSA-N 331.415 4.523 0 40 EJAB O=C1Nc2ccccc2S/C1=C\c1ccc(Br)cc1 26894387 UJHJQBURIBTZAB-ZROIWOOFSA-N 332.222 4.534 0 40 EJAB CC(C)CC[C@@H](CC(=O)NCc1ccco1)[C@H]1CCOC(C)(C)C1 26961458 VPXAGZGTQSBXPJ-IRXDYDNUSA-N 335.488 4.544 0 40 EJAB Cc1nc2cc(NC(=O)Cc3ccc(-c4ccccc4)cc3)ccc2o1 29796097 XRMZTHLEUILWBI-UHFFFAOYSA-N 342.398 4.984 0 40 EJAB O=C(Nc1cccc(OCc2ccccn2)c1)c1ccc(Cl)cc1 31456179 FOCUAUVGBWWXAK-UHFFFAOYSA-N 338.794 4.566 0 40 EJAB COc1ccc(C)cc1N[C@@H](C)c1nc2ccccc2n1C(F)F 40086330 BSCWANGYOPKFCW-LBPRGKRZSA-N 331.366 4.922 0 40 EJAB O=C(Nc1ccc(OC2CCCC2)cc1)c1cc(-c2ccccc2)on1 46577100 KDLOIYBZNPRARK-UHFFFAOYSA-N 348.402 4.915 0 40 EJAB CCCCc1ccc(NCCC(=O)c2cc3ccccc3oc2=O)cc1 55142508 FYZXDJBVKBXHDM-UHFFFAOYSA-N 349.430 4.821 0 40 EJAB biogenic,in-vitro C[C@@H](NCc1cccc(-c2ccccc2)c1)c1ccc2c(c1)OCCO2 71816969 REYNKNUNNJSNCU-QGZVFWFLSA-N 345.442 4.976 0 40 EJAB C[C@@H](NC(=S)N[C@@H]1CCSc2c(F)cccc21)c1ccccc1 84656644 VYSCVTDHYTYXDX-MLGOLLRUSA-N 346.496 4.588 0 40 EJAB C[C@H](N[C@H](c1ccccc1)C1CCCCC1)c1nnc2ccccn12 95350756 XMNOPTVIEGMIKN-OXJNMPFZSA-N 334.467 4.702 0 40 EJAB O=C(Nc1cccc(C2SCCCS2)c1)[C@@H]1C[C@H]1c1ccco1 95381715 JIUZKCXZMLZPBV-HUUCEWRRSA-N 345.489 4.891 0 40 EJAB Cc1ccc(N2C(=S)N[C@@H]3C[C@]2(C)Oc2c(Cl)cccc23)cc1 101170168 BUOXSHXSYOQFTM-QAPCUYQASA-N 344.867 4.583 0 40 EJAB CSc1nc2ccc(NC(=O)C[C@H]3C[C@H]4CC[C@H]3C4)cc2s1 102121422 PVAWQTSUNQVYPV-SDDRHHMPSA-N 332.494 4.783 0 40 EJAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N[C@H](C)c1ccc(C)cc1 113970449 WDUUUDQORWUHTD-XLIONFOSSA-N 325.452 4.647 0 40 EJAB C[Si](C)(C)c1cnc2c([Si](C)(C)C)c(Cl)ccc2c1Cl 219794928 PRZZODPHSZXIAA-UHFFFAOYSA-N 342.418 4.632 0 40 EJAB Cc1ccc([C@@H](NC(=O)CCc2ccccc2F)c2ccccc2)cc1 224047333 SZKVRZMBNIOSTE-QHCPKHFHSA-N 347.433 4.973 0 40 EJAB CC(C)N[P@](=O)(O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)c1ccccc1 263621489 ADULCGJWFWMRGU-DYVMYPEFSA-N 337.444 4.980 0 40 EJAB biogenic Cc1cccc(C)c1NC(=O)c1c(C(F)(F)F)ccnc1Cl 163249 FUHBZWCNNVOXKM-UHFFFAOYSA-N 328.721 4.623 0 40 EJAB Cc1sc(NC(=O)c2ccccc2)c(CN2CCC(C)CC2)c1C 568541 ZHSJUGZEAZRNDA-UHFFFAOYSA-N 342.508 4.849 0 40 EJAB CCOc1cc([C@@H]2Nc3c(C)cc(C)cc3-c3cc(C)nn32)ccc1O 818060 BQTMFZDCWAPBEB-OAQYLSRUSA-N 349.434 4.552 0 40 EJAB CCN(CC)C[C@H](C)[C@](O)(Cc1ccccc1)c1ccc(Cl)cc1 1698640 RUSRLRVPPPZXLK-LAUBAEHRSA-N 345.914 4.748 0 40 EJAB CSc1ccc(C(=O)c2cccc(CN3CCCCC3)c2)cc1 2515004 CSQVZBJIDXUBSD-UHFFFAOYSA-N 325.477 4.625 0 40 EJAB CCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 2562660 SAOVUTZAPBDLOX-LCDGHNAASA-N 346.511 4.920 0 40 EJAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1cc(Cl)ccc1Cl 2695299 ZJMAVNOQXGKUCL-VIFPVBQESA-N 328.170 4.539 0 40 EJAB CCOc1ccc(CN(C)C(=O)Nc2ccc(C)c(Cl)c2)cc1 3359253 YENBFQANSGHHDE-UHFFFAOYSA-N 332.831 4.711 0 40 EJAB Cc1sc2c(c1C)C(=O)N[C@@H](c1ccc(-c3ccc(F)cc3)o1)N2 4523668 UAVYUPNXRYHKLR-MRXNPFEDSA-N 342.395 4.618 0 40 EJAB Cc1ccc(NC(=O)c2cc3cc(Cl)cc(Cl)c3oc2=N)cc1 4637254 DIIXSIDUCAYVHH-UHFFFAOYSA-N 347.201 4.780 0 40 EJAB CSc1ccc2nc(NC(=O)c3ccccc3Cl)sc2c1 5299083 BFDRSIAVDOIYSV-UHFFFAOYSA-N 334.853 4.924 0 40 EJAB O=C(Nc1ccc(Br)cc1)c1ccc2ccccc2c1 5558273 NMJFLQCZOKLARL-UHFFFAOYSA-N 326.193 4.855 0 40 EJAB Cn1c(SCc2csc(-c3ccccc3)n2)nc2ccccc21 6315483 NUTDQZWULCBIQV-UHFFFAOYSA-N 337.473 4.989 0 40 EJAB C[C@H](Sc1ccc2ccccc2c1)C(=O)N1CCc2ccccc21 6851929 WWUXYDUAVYKETG-HNNXBMFYSA-N 333.456 4.910 0 40 EJAB CCCCCCNCc1cc(Br)c(OC)c(OCC)c1 7260955 PTSJOPZTDZABDG-UHFFFAOYSA-N 344.293 4.526 0 40 EJAB Cc1nnc(SCc2ncc(-c3ccc(Cl)cc3)o2)n1C1CC1 7617829 FOWJRDQTAXIWPT-UHFFFAOYSA-N 346.843 4.522 0 40 EJAB CC(=O)NCc1ccc(-c2csc(-c3cccc(Cl)c3)n2)cc1 8343368 LCGRYINEJRLTRM-UHFFFAOYSA-N 342.851 4.767 0 40 EJAB Cc1cccc(NC(=O)NC[C@H](c2cccc3ccccc23)N(C)C)c1 10330498 XFKBSQSMIOIFRE-OAQYLSRUSA-N 347.462 4.573 0 40 EJAB CCn1c(NC(=O)c2cc(SC)ccc2Cl)nc2ccccc21 10651500 GRNDXDGMKUHARP-UHFFFAOYSA-N 345.855 4.684 0 40 EJAB CC(C)N(Cc1ccccc1)CN1C(=O)c2cccc3cccc1c23 13000042 FEEGGUXKWMBKAV-UHFFFAOYSA-N 330.431 4.668 0 40 EJAB CCOc1ccc(NC(=S)Nc2cccc(C(F)(F)F)c2)cc1 13791940 CIGKCAOKZLKQAQ-UHFFFAOYSA-N 340.370 4.913 0 40 EJAB Cc1c(C(=O)N[C@@H](C)c2ccc(F)cc2)sc2cccc(F)c12 20008290 LIAGPIALRPTHQN-NSHDSACASA-N 331.387 4.979 0 40 EJAB C[C@@H](NCc1cccc2cccnc12)c1ccccc1Br 23624445 BRUHRGSDOTWTMK-CYBMUJFWSA-N 341.252 4.848 0 40 EJAB Cc1ccn(-c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)n1 28303504 IHIRKSXLLQMVMR-UHFFFAOYSA-N 346.217 4.740 0 40 EJAB C[C@@]1(C(=O)Nc2ccc(OC3CCCC3)cc2)CC1(Cl)Cl 29025982 GRGVQIMKYSPIRD-HNNXBMFYSA-N 328.239 4.530 0 40 EJAB C[C@@H]1c2ccsc2CCN1C(=O)c1ccc(Cl)cc1Cl 30548940 SQLHVWQNMIBDKU-SECBINFHSA-N 326.248 4.814 0 40 EJAB O=C(CCn1c(-c2ccccc2)cc2ccccc21)NCc1ccco1 32103525 PBCXIVWFVOMFIH-UHFFFAOYSA-N 344.414 4.608 0 40 EJAB Cc1cccnc1NC(=O)Cc1coc2cc(C)c(Cl)c(C)c12 39892897 YKEMBMJVMNBJDF-UHFFFAOYSA-N 328.799 4.588 0 40 EJAB C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1cc(-c2ccccc2)[nH]n1 48252046 JKUDXXQIZYSUOX-CQSZACIVSA-N 345.402 4.656 0 40 EJAB CSc1ccc([C@H]2CC(O)=Nc3c2cnn3Cc2ccccc2)cc1 49550667 XQRYUNOVPWEQKD-QGZVFWFLSA-N 349.459 4.777 0 40 EJAB Cc1nc(CNc2nc(-c3cccs3)nc3ccccc23)cs1 52402893 YUQSTKIRSSMUOX-UHFFFAOYSA-N 338.461 4.735 0 40 EJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)c1ccc(C)c(C)c1 59351293 JRDYJQWUIGGOMG-DNVCBOLYSA-N 345.870 4.992 0 40 EJAB c1ccc(-c2nc(SCCn3cccn3)[nH]c2-c2ccccc2)cc1 60534091 YHLPBDQYXMHROH-UHFFFAOYSA-N 346.459 4.733 0 40 EJAB Cc1nnc(S[C@@H](C)c2nnc(CC(C)C)o2)n1C1CCCCC1 71893881 UQHWLAFNVSYIHZ-LBPRGKRZSA-N 349.504 4.527 0 40 EJAB Cc1occc1-c1nnc(SCc2csc(-c3ccoc3)n2)o1 78566159 TXAZDJZDRTVERO-UHFFFAOYSA-N 345.405 4.647 0 40 EJAB CCCC[C@H]1OC[C@@]2(COC(=O)NC(C)C)[C@H](C)C=C(C)[C@H]1[C@H]2C 100743069 CTQMHZOSXPTAQT-YFYQMDMQSA-N 337.504 4.545 0 40 EJAB biogenic CC(C)(C)OC(=O)N1CCC[C@@H]1c1cc(F)cc(Br)c1 199830383 OOACMMKGHSTWJB-CYBMUJFWSA-N 344.224 4.660 0 40 EJAB Cc1ccc(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)s1 214066656 RSIINNBNSLWMEL-RIYZIHGNSA-N 349.864 4.946 0 40 EJAB Cc1ccccc1C(=O)Nc1cc(N2CCCC[C@H]2C)c(C)cc1N 216866177 FGUKAFXYVZTXRK-MRXNPFEDSA-N 337.467 4.517 0 40 EJAB CC(C)NC(=S)Nc1cccnc1Sc1ccc(Cl)cc1 225189683 KEKNENAZVCNCLQ-UHFFFAOYSA-N 337.901 4.581 0 40 EJAB CCC1(CC)C[C@H](NC(=O)c2ccccc2F)c2ccccc2O1 225502711 XSFRLDWMDKGEJZ-KRWDZBQOSA-N 327.399 4.638 0 40 EJAB CCc1ccc(NC(=S)NCCCc2ccc(Cl)cc2)cc1 225543534 CWFSVOBIVSCFQM-UHFFFAOYSA-N 332.900 4.822 0 40 EJAB O=C(NCc1ccccc1Cl)/C(=C/c1ccco1)c1ccccc1 409133677 MGHACCXUCXBHSZ-QGOAFFKASA-N 337.806 4.790 0 40 EJAB FC(F)(F)Oc1ccccc1[C@H]1C[C@@H]1c1nc(-c2ccccc2)no1 525503380 KPAPGXZZFWTEMJ-KGLIPLIRSA-N 346.308 4.906 0 40 EJAB C[C@@H]1CC(=O)N(C)c2ccc(N[C@H](C)c3ccc(F)c(F)c3)cc21 629269874 BMCHGFZUVHWHJD-VXGBXAGGSA-N 330.378 4.608 0 40 EJAB C[C@H](NC(=O)c1ccc2cccnn12)c1ccc(Cl)c2ccccc12 1523670398 SLCNNKXCQPVVAB-ZDUSSCGKSA-N 349.821 4.632 0 40 EJAB CCCC(=O)N(C)[C@H](c1ccccc1)c1ccccc1Br 1583819161 KEFVVDXIUYLOEP-GOSISDBHSA-N 346.268 4.797 0 40 EJAB O[C@@H](CNc1nc2cccc(F)c2s1)c1cccc2ccccc12 1652029082 BJDBUQTYCWSGEE-KRWDZBQOSA-N 338.407 4.734 0 40 EJAB CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(C)cc1)CCCCC2 84510 IVFRGIUWKFAIGI-UHFFFAOYSA-N 342.464 4.536 0 40 EJAB O=C(O)COc1ccccc1[C@H]1O[C@H]2CCCC[C@H]2C2=CCCC[C@H]21 526403 IUZPOFVYQIAPHI-MNDZRTMASA-N 342.435 4.507 0 40 EJAB CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(Cl)cc1 568860 UVOFBTMRAJJQAF-GFCCVEGCSA-N 346.883 4.980 0 40 EJAB C[C@@H](NC(=O)COc1ccc(Oc2ccccc2)cc1)c1ccccc1 3165382 XXKNCSXHNRGEES-QGZVFWFLSA-N 347.414 4.735 0 40 EJAB CCOc1ccc2nc(SCc3cc(C(=O)O)c(C)o3)sc2c1 5466693 SJRSLTWUMXKZMJ-UHFFFAOYSA-N 349.433 4.587 0 40 EJAB CCc1cccc(C)c1NC(=O)COc1cccc(C(F)(F)F)c1 6231866 GXYIAGWLOHSVNX-UHFFFAOYSA-N 337.341 4.594 0 40 EJAB CN1CCC[C@@H](O[C@@H]2c3ccccc3CSc3ccccc32)CC1 6638636 KJDWUCZKWFAWFB-DYESRHJHSA-N 339.504 4.883 0 40 EJAB CCCNCc1ccc(OCc2ccc(Cl)cc2)c(OCC)c1 7262369 VBHUJMDBVIYADR-UHFFFAOYSA-N 333.859 4.817 0 40 EJAB COc1ccc(C(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)cc1 7987920 YFMOHPKCMZEKOS-INIZCTEOSA-N 331.415 4.853 0 40 EJAB O=C(Cc1c(F)cccc1Cl)Nc1ccc(-c2nccs2)cc1 9377771 VEBDQRURPJERMX-UHFFFAOYSA-N 346.814 4.784 0 40 EJAB CC(C)c1ccc(CCC(=O)NCCSCc2ccccc2)cc1 10359610 UDVLSAFBKMCTNO-UHFFFAOYSA-N 341.520 4.792 0 40 EJAB COc1ccccc1Oc1ccc(NC(=O)c2ccccc2OC)cc1 11516279 IHUKTGISRJBTGO-UHFFFAOYSA-N 349.386 4.748 0 40 EJAB CCCOc1ccc2cc(C(=O)c3[nH]c(C)c(C(C)=O)c3C)oc2c1 12972453 HCYDMLGSILJKBW-UHFFFAOYSA-N 339.391 4.600 0 40 EJAB Cc1ccc(OCCS[C@@H](C)C(=O)Nc2ccccc2Cl)cc1 15492212 QYIKRUKPMOEHKZ-AWEZNQCLSA-N 349.883 4.788 0 40 EJAB O=S(=O)(Nc1ccc2oc3ccccc3c2c1)c1ccccc1F 16127615 HBDPZJWFHLGNAF-UHFFFAOYSA-N 341.363 4.526 0 40 EJAB Cc1ccc2[nH]c(SCc3cc4c(cc3Cl)OCO4)nc2c1 16348346 NYNUYOFTQQZVCK-UHFFFAOYSA-N 332.812 4.546 0 40 EJAB CN(Cc1ccco1)C(=O)c1ccc(-c2ccc(Cl)cc2)s1 17790191 QXVWBANHXJADNX-UHFFFAOYSA-N 331.824 4.934 0 40 EJAB Cc1ccc(C(=O)Nc2cc(-c3ccc(CO)o3)ccc2C)cc1C 20138767 BLPPGSPSGWNUFD-UHFFFAOYSA-N 335.403 4.616 0 40 EJAB CN(C(=O)c1ccc(OCc2ccccc2Cl)cc1)C1CCCC1 30755858 ICUJJUUVLPBHKO-UHFFFAOYSA-N 343.854 4.934 0 40 EJAB CCOc1ccc(CCC(=O)Nc2ccc(Cl)cc2)cc1OCC 30868428 PAKPERUXWNKVCH-UHFFFAOYSA-N 347.842 4.709 0 40 EJAB O=C(NCc1cccc(Oc2ccccc2)c1)NCc1cccs1 32933425 YSENOPYBALTAGX-UHFFFAOYSA-N 338.432 4.540 0 40 EJAB CC(C)c1ccc(NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)cc1 38833691 ADLWNTZVQMQLTH-HXUWFJFHSA-N 336.479 4.661 0 40 EJAB S=C1O[C@H]2CC3C(c4ccccc4)C(C[C@H]2O1)C3c1ccccc1 39381650 BFHMZFVZCQTIBF-YVAWMCKGSA-N 336.456 4.663 0 40 EJAB CCSc1ncc(-c2ccc(OC)cc2)n1-c1ccc(F)cc1 44086999 QEMZKLHNWUNDTF-UHFFFAOYSA-N 328.412 4.799 0 40 EJAB O=C(CCc1ccc(Cl)cc1Cl)Nc1ccc(F)cc1F 46569665 NXWRTHHKWWYDPD-UHFFFAOYSA-N 330.161 4.843 0 40 EJAB CCOCc1ccccc1NC(=O)N(Cc1ccccc1)C(C)C 69564914 XJYDZIRAUCUMEY-UHFFFAOYSA-N 326.440 4.666 0 40 EJAB COc1cc(Cl)c(C)cc1NC(=S)Nc1ccc(C)cc1F 71326095 LLEMUBVCJVCLOD-UHFFFAOYSA-N 338.835 4.913 0 40 EJAB CCn1c(SCc2ccccc2)nnc1-c1ccccc1Cl 75334098 HYZGPRDBMLHOIK-UHFFFAOYSA-N 329.856 4.911 0 40 EJAB C[C@@H](Nc1ccc(N2CCCCCC2)cc1)c1nc(C2CC2)no1 78624361 DNPZCRUDIPQSES-CQSZACIVSA-N 326.444 4.501 0 40 EJAB c1cc(NCc2csc(-c3ccsc3)n2)cc(-c2nnco2)c1 89780600 MQNQMOOJDOJTLS-UHFFFAOYSA-N 340.433 4.534 0 40 EJAB c1ccc(-c2nc(CNCc3cnc(C4CCC4)s3)cs2)cc1 89851355 OUYLMNYWHOIIRN-UHFFFAOYSA-N 341.505 4.824 0 40 EJAB CC(C)(C)c1cc(CN2CCCCCC2=O)cc(C(C)(C)C)c1O 95471929 KLPSIWCGDMJIDJ-UHFFFAOYSA-N 331.500 4.890 0 40 EJAB CC1=CC(C)(C)N(Cc2ccc(C(=O)O)o2)c2cc(C)c(C)cc21 223232472 NRFBCPKIDYKABA-UHFFFAOYSA-N 325.408 4.797 0 40 EJAB CCOc1cccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1 224989880 CPWVGIHLRNUXQZ-UHFFFAOYSA-N 333.815 4.535 0 40 EJAB O=C(NCCCc1ccccc1Cl)c1ccc2c(c1)CCCC2 225631639 NPLGGBZILGDDSL-UHFFFAOYSA-N 327.855 4.581 0 40 EJAB CO[C@@H](CNC(=O)c1cccc2ccccc12)c1ccc(Cl)s1 225701728 ZHGXBECWNFRKRZ-HNNXBMFYSA-N 345.851 4.672 0 40 EJAB COc1cccc2cc(C(=O)NCCCc3cc4ccccc4o3)oc12 390832378 ZCJNLCYIKAIQGO-UHFFFAOYSA-N 349.386 4.550 0 40 EJAB C[C@H](c1nc2ccccc2s1)N(C)Cc1cccc(O)c1Cl 507021910 LPCNHSJRBDUUIC-LLVKDONJSA-N 332.856 4.848 0 40 EJAB COc1ccc(CN2CCC[C@@H](c3nccs3)C2)c2ccccc12 513078678 ZEVQAJBDEAKRGX-MRXNPFEDSA-N 338.476 4.685 0 40 EJAB Fc1cccc(-c2noc(-c3cccnc3NCc3ccccc3)n2)c1 1889128347 LYKSJDFNAZMTGJ-UHFFFAOYSA-N 346.365 4.550 0 40 EJAB CCc1cc(-c2onc(C)c2-c2ccc(OC)cc2)c(O)cc1OC 238482 FDWOVBYFCVMMAO-UHFFFAOYSA-N 339.391 4.602 0 40 EJAB biogenic CC(=O)N(Cc1cc2cccc(C)c2nc1Cl)C1CCCCC1 412365 VTLGZSXJFDWFOP-UHFFFAOYSA-N 330.859 4.878 0 40 EJAB Cc1cc(C)cc(Nc2nc(N3CCCCC3)c3ccccc3n2)c1 2633440 WVSRYLQBCCNKSC-UHFFFAOYSA-N 332.451 4.981 0 40 EJAB Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3)sc2Cl)cc1 2709057 KRUDWDXKRPTXDJ-UHFFFAOYSA-N 349.864 4.605 0 40 EJAB O=C(Oc1cccc(Br)c1)c1cccc2ccccc12 3303006 JXGKJSGMGWGLOO-UHFFFAOYSA-N 327.177 4.822 0 40 EJAB Cc1cc(C)c(NC(=O)c2ccccc2OC(F)F)c(Cl)c1 3349296 CSJNZIWPFBQVJR-UHFFFAOYSA-N 325.742 4.811 0 40 EJAB CC(=O)N1c2ccccc2C(c2ccccc2)(c2ccccc2)O[C@@H]1C 4019425 LDVWQACAMPGBCB-GOSISDBHSA-N 343.426 4.708 0 40 EJAB Cc1nc(C)c(-c2ccc(SCc3cccc(F)c3)nn2)s1 4358300 LQWKFBKOUFQCBS-UHFFFAOYSA-N 331.441 4.648 0 40 EJAB Cc1cc(C)c2sc(NC(=O)CSc3ccc(F)cc3)nc2c1 4496797 FHOLMSWHVYOISH-UHFFFAOYSA-N 346.452 4.783 0 40 EJAB Cc1nc2ccc(NC(=O)C3(c4ccc(Cl)cc4)CC3)cc2s1 6216001 RNLZVXWCXDSORQ-UHFFFAOYSA-N 342.851 4.928 0 40 EJAB Nc1cccc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)c1 7468654 QBCWTPQWZOWWHM-UHFFFAOYSA-N 338.794 4.967 0 40 EJAB CCC(=O)c1ccc(OCC(=O)c2c[nH]c3c(CC)cccc23)cc1 7506601 GYKKGXUVGGPFGG-UHFFFAOYSA-N 335.403 4.585 0 40 EJAB O=C(Nc1cc(Cl)ccc1N1CCCC1)c1cc2ccccc2o1 8395337 PDIOOMQNTJAHNV-UHFFFAOYSA-N 340.810 4.939 0 40 EJAB Cc1ccc(C)c(N(CC(=O)c2ccc(F)cc2)C2=NCCCC2)c1 8410747 CBXDCGNJPCLTGZ-UHFFFAOYSA-N 338.426 4.714 0 40 EJAB CC[C@@H](C)c1ccc([C@H](NC(=O)NCc2ccccn2)C(C)C)cc1 9794755 WSKGJHIHQFFYOU-OXQOHEQNSA-N 339.483 4.792 0 40 EJAB Cc1nc2ccc(Cl)cc2cc1C(=O)N[C@H](C)c1cccs1 10085640 LHTLYKCYQAOERX-LLVKDONJSA-N 330.840 4.749 0 40 EJAB O=C(N[C@H](c1ccc2c(c1)CCCC2)c1cccs1)C1CCC1 12738198 KAYJFGUMOQHKPB-LJQANCHMSA-N 325.477 4.633 0 40 EJAB CSc1ccccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1C 12779914 QQVXCWKRDJBXMN-LBPRGKRZSA-N 335.856 4.776 0 40 EJAB Cc1ccc(NC(=O)c2cc(-c3cccs3)nc3onc(C)c23)cc1 12999781 WFWXUNGEZMVASL-UHFFFAOYSA-N 349.415 4.820 0 40 EJAB Cc1ccc2cccc(NC(=O)Cc3cccc4ccccc34)c2n1 15835250 NUOXWXMKLCINMZ-UHFFFAOYSA-N 326.399 4.878 0 40 EJAB C[C@H](NC(=S)Nc1cccc(C(F)(F)F)c1)c1ccc(F)cc1 16316055 PPLQFGGZUAGNJV-JTQLQIEISA-N 342.361 4.892 0 40 EJAB O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cc2c(F)cccc2s1 22882741 XVRQWKPENVCZLD-VHSXEESVSA-N 345.361 4.891 0 40 EJAB Cc1ccc(C)c(NC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)c1 24958402 SQQAURMMQTUBOU-UHFFFAOYSA-N 325.799 4.599 0 40 EJAB Cc1cccc(NC(=O)N(C)c2ccc(Oc3ccc(C)nn3)cc2)c1 38670823 VSLSCQQYYQFJQH-UHFFFAOYSA-N 348.406 4.554 0 40 EJAB O=C(C[C@H]1C=CCC1)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 42759873 OPYJXGZLTBXRDS-ZDUSSCGKSA-N 344.842 4.544 0 40 EJAB Nc1nc(-c2ccc(OCc3ccccc3)cc2)cc(-c2ccco2)n1 71978378 MCJGZSABZXFDHT-UHFFFAOYSA-N 343.386 4.565 0 40 EJAB Cc1cc2nc(N[C@H]3CCC[C@@H](C(F)(F)F)C3)c3ccccc3n2n1 89610784 XUQDFFJVAWXULZ-OLZOCXBDSA-N 348.372 4.724 0 40 EJAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1cccc2ccccc12 216390283 OKARQGHTPAUCLI-HXUWFJFHSA-N 335.403 4.645 0 40 EJAB O=C(NCCSC1CCCCC1)C1(c2ccccc2)CCCC1 223668039 LZCHAXBXJGQMBG-UHFFFAOYSA-N 331.525 4.681 0 40 EJAB CCc1ccc(CCC(=O)N[C@H](CC)c2ccc(OC)c(C)c2)cc1 223997721 HSVZXCBPYZJEJG-HXUWFJFHSA-N 339.479 4.766 0 40 EJAB Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccc3c4c(cccc24)CC3)c1 224296388 JEZINVUOSXJADB-MRXNPFEDSA-N 345.442 4.961 0 40 EJAB CCCOc1ccc(NC(=O)C2(OC)CCCC2)c2ccccc12 225804658 LYYMRGZLLCGVJN-UHFFFAOYSA-N 327.424 4.526 0 40 EJAB CC(C)Oc1ccccc1/C=C1/SC(=O)N(c2ccccc2)C1=O 408903454 YDIYIKWDCUPEAU-SFQUDFHCSA-N 339.416 4.715 0 40 EJAB Cc1cc(O)c(C2CCCCC2)c(C)c1I 1143 YDHKCEOBMPNVDR-UHFFFAOYSA-N 330.209 4.661 0 40 EJAB in-man Cc1sc2ncnc(Oc3ccc(Br)cc3)c2c1C 319793 IUWORPAFDUBEBI-UHFFFAOYSA-N 335.226 4.863 0 40 EJAB COC(=O)c1ccc(NCc2ccc(OC(C)C)c(Cl)c2)cc1 395693 STVMTLYHCMZJMH-UHFFFAOYSA-N 333.815 4.526 0 40 EJAB Fc1ccccc1-n1c(-c2ccccc2)nc2nc3ccccc3nc21 523060 FHYJZIBTGCKLNZ-UHFFFAOYSA-N 340.361 4.775 0 40 EJAB O=c1c2c3c(sc2[nH]c(=S)n1-c1ccc(Cl)cc1)CCCC3 587743 OQFXKSADQKBXRA-UHFFFAOYSA-N 348.880 4.642 0 40 EJAB CC[C@@H](C)c1ccc(OC[C@H](C)OC(=O)Cc2ccccc2)cc1 1583821 CTQBRBWGLVRKAV-SJORKVTESA-N 326.436 4.753 0 40 EJAB CCN(CC)[C@H]1CCC[C@H](Nc2ccnc3cc(Cl)ccc23)C1 1733780 ZODDUWYUOSRZLF-HOTGVXAUSA-N 331.891 4.953 0 40 EJAB O=C(Nc1ccc(Br)cc1)c1ccc(C(F)(F)F)cc1 2630443 YKTUUHRDVDNBFT-UHFFFAOYSA-N 344.130 4.720 0 40 EJAB CCCC[C@@H]1OC[C@@]2(COC(=O)NC(C)C)[C@H](C)C=C(C)[C@@H]1[C@H]2C 4026801 CTQMHZOSXPTAQT-BFMVXSJESA-N 337.504 4.545 0 40 EJAB O=C(OCc1ccccc1Oc1ccccc1)c1n[nH]c2ccccc12 5360262 CGMNQNIYYPQJHC-UHFFFAOYSA-N 344.370 4.712 0 40 EJAB COc1ccc(Cl)cc1NC(=S)Nc1ccc(Cl)cc1 6847181 LQFSKOPRIPJTQH-UHFFFAOYSA-N 327.236 4.811 0 40 EJAB Cc1cc(C(=O)OCc2coc(-c3cccs3)n2)c(C)n1C1CC1 7575687 JZFWVZJFTLNIAC-UHFFFAOYSA-N 342.420 4.513 0 40 EJAB Cc1cccc(Oc2ccc(NC(=O)Cc3c(C)noc3C)cc2)c1 8011418 RKDKQHSDHJYZMI-UHFFFAOYSA-N 336.391 4.573 0 40 EJAB COc1cccc(COc2ccc(NC(=O)c3ccccc3)cc2)c1 8121200 FJYANBKAEFWSAW-UHFFFAOYSA-N 333.387 4.527 0 40 EJAB Cc1ccc(NCc2cc3cc(C)c(Cl)cc3[nH]c2=O)cc1C 12493119 GJXCNUUULCHSPW-UHFFFAOYSA-N 326.827 4.719 0 40 EJAB CCCCCNC(=O)c1ccccc1SCc1c(C)noc1C 12734885 ATLYBELCMPPJEF-UHFFFAOYSA-N 332.469 4.504 0 40 EJAB O=C(Cc1cc(-c2ccccc2)on1)Nc1ccc(C(F)(F)F)cc1 12861804 SQIDNAVZCGPRRH-UHFFFAOYSA-N 346.308 4.542 0 40 EJAB Cc1ccc(NC(=O)[C@H](C)N(C)Cc2ccc3ccccc3c2)c(C)c1 12910306 GIKBZVGTBMZLFG-SFHVURJKSA-N 346.474 4.916 0 40 EJAB Cc1nc(-c2ccc(CNC(=O)c3cccc(Cl)c3)cc2)cs1 12979249 YWZDECHPOOVZPE-UHFFFAOYSA-N 342.851 4.702 0 40 EJAB Fc1ccc(-c2ccc(-c3nnc4n3CCCCCC4)s2)cc1 13987901 KPXONNWVTIVFBT-UHFFFAOYSA-N 327.428 4.929 0 40 EJAB O=C(CCc1ncc(-c2ccccc2)o1)Nc1ccc(Cl)cc1F 14112158 QEIPELIQGYBWDE-UHFFFAOYSA-N 344.773 4.705 0 40 EJAB Cc1ccc(C(=O)N2CCC[C@@H](c3cc4ccccc4cn3)C2)s1 19216897 DPFRUPOYZDHLDO-QGZVFWFLSA-N 336.460 4.625 0 40 EJAB O=C(Nc1ccccc1)c1sc(N2CCCC2)nc1-c1ccccc1 19542499 ZMBQAUAIUACDHP-UHFFFAOYSA-N 349.459 4.663 0 40 EJAB NC(=S)Nc1ccc2oc(-c3ccc(-c4ccccc4)cc3)nc2c1 20154514 OCEKBTXMXZAMPD-UHFFFAOYSA-N 345.427 4.817 0 40 EJAB O=C(CNc1ccc(F)cc1)Nc1cc(C(F)(F)F)ccc1Cl 21884794 BRKOVLNQDMHNRI-UHFFFAOYSA-N 346.711 4.549 0 40 EJAB Cc1cc(C)c(S(=O)(=O)N[C@H](C)c2cc(C)c(C)cc2C)c(C)c1 22540256 XHCZVFPWDWEEEV-GOSISDBHSA-N 345.508 4.577 0 40 EJAB O=C(NC[C@@H]1CC2c3ccccc3C1c1ccccc12)[C@H]1CC=CCC1 23055192 LSNFVEYRUDPOIN-PQJGELLGSA-N 343.470 4.756 0 40 EJAB CC[C@H](O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2 32194763 DWQHLALXVGENEN-SFHVURJKSA-N 342.508 4.684 0 40 EJAB in-vitro Cc1ccccc1CC(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 36391444 BCINKMNBQYMIDT-UHFFFAOYSA-N 336.366 4.503 0 40 EJAB Cn1c(C(=O)Nc2cccc3cccnc23)c(Cl)c2ccccc21 40144923 KZOWOLNTTORJMC-UHFFFAOYSA-N 335.794 4.632 0 40 EJAB O=C([C@@H]1CCCc2ccccc21)N(C1CC1)[C@H]1CCc2ccccc21 58101918 AJDKPIAOUZKFQR-YADHBBJMSA-N 331.459 4.785 0 40 EJAB CCCN(C(=O)Nc1ccc(F)cc1F)[C@H]1CCc2ccccc21 58157395 DDIYOGYDGPDELD-SFHVURJKSA-N 330.378 4.896 0 40 EJAB Cc1ccc(C)c([C@@H](C)NC(=O)[C@H](C)Oc2ccccc2Cl)c1 59351480 YUGVQAGPFAIUBO-CABCVRRESA-N 331.843 4.602 0 40 EJAB CCOc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)c1csc(C)n1 71832990 OMVSLQDHWGHHOT-LBPRGKRZSA-N 344.480 4.783 0 40 EJAB O=C(Nc1ccc(Br)cc1C(F)(F)F)[C@@H]1CC=CCC1 72310507 IPJBVPRQPLSKIT-SECBINFHSA-N 348.162 4.763 0 40 EJAB O=C(NCc1ccc(F)c(Cl)c1)c1ccc(Cl)cc1Cl 72331413 XWJMKZAJFCRORS-UHFFFAOYSA-N 332.589 4.716 0 40 EJAB CC(C)c1nccn1-c1cccc([C@H]2CCCN(C3CCCC3)C2)n1 72379137 HHONOEALTFJAFN-KRWDZBQOSA-N 338.499 4.513 0 40 EJAB C[C@@H](NC(=S)N[C@@H]1CCc2c(Cl)cccc21)c1ccccc1 84656655 MAXCKAIDTGZYAL-SJKOYZFVSA-N 330.884 4.553 0 40 EJAB O=C(Nc1ccccc1F)N1CCS[C@@H](c2cccs2)CC1 219530906 UWTJKAWFHFTALB-OAHLLOKOSA-N 336.457 4.599 0 40 EJAB O=C(CSCc1ccccc1F)NCc1cccc2ccccc12 222890681 JZJGYNGLXZLRKT-UHFFFAOYSA-N 339.435 4.529 0 40 EJAB COc1cc(C)c([C@@H](C)NC(=O)c2cccc(C)c2)cc1C(C)C 223271345 KUDLEYNXEGCSOP-MRXNPFEDSA-N 325.452 4.926 0 40 EJAB CC(C)(C)CC(C)(C)NC(=O)CSCc1cccc(Cl)c1 223404241 QLGSYCOMLRAYGZ-UHFFFAOYSA-N 327.921 4.904 0 40 EJAB CCCNC(=S)Nc1ccc(Nc2ccc3ccccc3c2)nc1 223872732 PHFMSONGWUHJEL-UHFFFAOYSA-N 336.464 4.675 0 40 EJAB Cc1ccc(-c2nnc(NC(=O)c3ccc(Cl)cc3F)s2)cc1 225069757 QAZJERXISOJNCT-UHFFFAOYSA-N 347.802 4.558 0 40 EJAB O=C(O)[C@H](Cc1cccc(Cl)c1Cl)Sc1ccccc1 225083808 ISQMAOGRNZIBQY-ZDUSSCGKSA-N 327.232 4.781 0 40 EJAB CCCCc1ccc(C[C@H](Oc2ccc(C)c(C)c2)C(=O)O)cc1 225129117 FKWCFNYAQAORPH-FQEVSTJZSA-N 326.436 4.721 0 40 EJAB CCO[C@@]1(C(=O)Nc2ccc(OC(C)C)c(C)c2)CCC[C@H](C)C1 225717247 ZBKOTGBZFFNSQL-YWZLYKJASA-N 333.472 4.706 0 40 EJAB Cc1cccc(C(=O)Nc2cccc(-c3ccc(C(=O)O)o3)c2C)c1 226355872 XTJDXLIWCCQNIB-UHFFFAOYSA-N 335.359 4.514 0 40 EJAB COc1ccccc1[C@@H]1Nc2ccc(C(=O)O)cc2[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12 245257958 IZWUCCUWLLDQMI-LGMIBIRUSA-N 349.430 4.690 0 40 EJAB Cc1ccc2c(Cl)c(C(=O)N(C)Cc3cccc(O)c3)sc2c1 591437304 BKZWCQQGKCYITK-UHFFFAOYSA-N 345.851 4.841 0 40 EJAB C[C@@]1(CNC(=O)c2cc(-c3ccccc3)ccc2Cl)CC1(F)F 618607373 XMQHTQDNYVJDSF-KRWDZBQOSA-N 335.781 4.782 0 40 EJAB O=C(NCc1ccc(-c2ccsc2)o1)Nc1ccccc1Cl 675008214 IYJMHUYKAPESEY-UHFFFAOYSA-N 332.812 4.983 0 40 EJAB CC(C)(C)c1ccc(CNC(=O)c2ccccc2Br)cc1 60065 PIWRYFMMTOITQD-UHFFFAOYSA-N 346.268 4.677 0 40 EJAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Oc1ccc(Cl)cc1 367545 PEIHFHRSEHVFLM-UHFFFAOYSA-N 347.201 4.707 0 40 EJAB Cc1c(-c2nn3c(-c4ccccc4)nnc3s2)oc2ccccc12 384955 SEFWFFTWFZLUJG-UHFFFAOYSA-N 332.388 4.574 0 40 EJAB CCc1cc2ccccc2nc1SCC(=O)c1ccccc1F 412238 SCEKCJYDKVHPDN-UHFFFAOYSA-N 325.408 4.911 0 40 EJAB COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1cccc2ccccc12 3736347 UWFHJKFBKWBVPK-OAQYLSRUSA-N 328.415 4.565 0 40 EJAB CC(=O)N(CCCN(C)C)C[C@H]1CC=C(CCC=C(C)C)C[C@@H]1C 4025880 YFSDFXHVCMRUBE-GHTZIAJQSA-N 334.548 4.506 0 40 EJAB biogenic CCOc1ccc(N(C(=O)Nc2ccc(C)cc2)C2=NCCC2)cc1 4570568 KBZBRFRCZKMKBN-UHFFFAOYSA-N 337.423 4.625 0 40 EJAB O=c1c2ccccc2nc(/C=C/c2ccsc2)n1-c1ccccc1 5155739 FDMAZBPTCUWMOB-ZHACJKMWSA-N 330.412 4.618 0 40 EJAB C[C@H](NC(=O)[C@@H](C)Oc1cccc2ccccc12)c1ccc(F)cc1 6010793 RSUVBBDCWSITOV-LSDHHAIUSA-N 337.394 4.624 0 40 EJAB CCCOc1ccc(/C=C2/C(=O)Nc3ccc(Cl)cc32)cc1OC 6881520 HOLAAFPIHHEYNS-OQLLNIDSSA-N 343.810 4.630 0 40 EJAB Clc1ccccc1-c1nnc(Sc2ncnc3sccc23)o1 8199042 ZNPOZFVKYUEOMB-UHFFFAOYSA-N 346.824 4.546 0 40 EJAB Cc1ccc2cccc(NC(=O)[C@@H](C)Oc3ccc(C)c(C)c3)c2n1 8587520 VBHBMOFFCYKRPI-MRXNPFEDSA-N 334.419 4.566 0 40 EJAB Cc1cc2c(cc1CNC1(c3ccc(Cl)cc3)CCC1)OCO2 12361785 BIAIBBSBRXDDQP-UHFFFAOYSA-N 329.827 4.546 0 40 EJAB C[C@H](Oc1cccc2ccccc12)C(=O)N[C@H](C)CCc1ccccc1 13709471 BEPMIORKXPXNBJ-MSOLQXFVSA-N 347.458 4.745 0 40 EJAB C[C@@H](NC(=O)c1c[nH]c2ccccc12)c1cccc(C(F)(F)F)c1 14141494 CDVWDDJLNFYIPC-LLVKDONJSA-N 332.325 4.678 0 40 EJAB Cc1ccc(-c2noc(CSc3nc4ccccc4o3)n2)cc1F 14197728 HYQCAFUCJSKFPA-UHFFFAOYSA-N 341.367 4.618 0 40 EJAB CSc1ccccc1NC(=O)CCc1ncc(-c2ccccc2)o1 14771436 MIZQWTQQDINYFX-UHFFFAOYSA-N 338.432 4.635 0 40 EJAB COc1ccc(Cl)cc1NC(=O)CCSc1ccc(C)cc1 15419451 PDFXQGONAMLDIL-UHFFFAOYSA-N 335.856 4.778 0 40 EJAB Cc1csc(NC(=O)c2ccc(Oc3ccc(F)cc3)cc2)n1 16182315 JZAPKFZSRSXLHT-UHFFFAOYSA-N 328.368 4.635 0 40 EJAB Cc1ccccc1[C@H](NC(=O)/C=C/c1ccccc1)c1ccccc1 20040851 PNKDCHRFCBMBMV-KXKTWFEWSA-N 327.427 4.914 0 40 EJAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)NCCc1ccccc1F 40067808 LPUKOKUNBQIJKP-AWEZNQCLSA-N 340.398 4.517 0 40 EJAB CC(=O)c1cn(CCC(=O)N[C@H](C)CCCC(C)C)c2ccccc12 40309524 RDYAAEDQCOASAG-MRXNPFEDSA-N 342.483 4.565 0 40 EJAB biogenic CCCC(=O)Nc1ccc(OCc2ccccc2C)c(C(C)=O)c1 68951210 LFGIHMSQUAFHNW-UHFFFAOYSA-N 325.408 4.515 0 40 EJAB Cc1cc([C@@H](N)c2ccccc2)cnc1N1CCCc2ccccc21 72222883 SJDPXHKXRVZXMW-NRFANRHFSA-N 329.447 4.522 0 40 EJAB CCc1ccc([C@H]2CCCCCN2C(=O)Cc2cccc(F)c2)o1 78850059 FMWZSNYLDXHZLS-GOSISDBHSA-N 329.415 4.668 0 40 EJAB CC[C@@H](C(=O)Nc1cccc(-c2nccs2)c1)c1c(C)noc1C 84733925 XMBGSEVYCMLGIR-OAHLLOKOSA-N 341.436 4.547 0 40 EJAB O=C(CCc1ccccc1F)N[C@H](c1ccsc1)c1cccs1 390826520 NGPGSVOZDHJAHM-GOSISDBHSA-N 345.464 4.787 0 40 EJAB C[C@@H](CCc1ccccc1)NC(=O)CSCc1ccc(Cl)cc1 408577356 ZYVNCWVQBSCRBN-HNNXBMFYSA-N 347.911 4.711 0 40 EJAB CN(C(=S)Oc1ccc2nccnc2c1)c1ccc2ccccc2c1 408734864 GJWGOOISXFXCRZ-UHFFFAOYSA-N 345.427 4.583 0 40 EJAB C[C@@H](NC(=O)c1c[nH]nc1-c1ccccc1F)c1cccc(C2CC2)c1 1556776657 MHDWXEVJYLIQOR-CYBMUJFWSA-N 349.409 4.584 0 40 EJAB O=c1oc2c(-c3ccc(SC(F)F)cc3)cc(O)cc2s1 33733 QHQKHUSTTVWBQF-UHFFFAOYSA-N 326.345 4.542 0 40 EJAB O=C(Nc1ccccc1F)c1ccc(COc2ccc(Cl)cc2)o1 115687 WWOCPTXYPHWAJY-UHFFFAOYSA-N 345.757 4.903 0 40 EJAB O=C(Cn1cnc2ccccc21)N(C1CCCCC1)C1CCCCC1 411879 ZFURTMNZGJUMGL-UHFFFAOYSA-N 339.483 4.530 0 40 EJAB COc1cc2sc(NC(=O)c3ccccc3C)nc2cc1Cl 557576 ZJVXYSBMUIGBEK-UHFFFAOYSA-N 332.812 4.519 0 40 EJAB CCN(CC)Cc1ccc(NC(=O)c2ccc(C)cc2Cl)cc1 568261 BTBXORYYFNEVPX-UHFFFAOYSA-N 330.859 4.743 0 40 EJAB CCCCOc1ccccc1NC(=O)CCCOc1ccccc1 1777480 PAGLFTPKXHPHHA-UHFFFAOYSA-N 327.424 4.663 0 40 EJAB CC(=O)NCCSc1c(-c2ccc(Cl)cc2)[nH]c2ccccc12 2721231 SIQGHXCSLWYAQK-UHFFFAOYSA-N 344.867 4.717 0 40 EJAB O=C(Nc1ccc(-c2nc3cccnc3s2)cc1)c1cccc(F)c1 2961378 PVXBRHABNIUVNS-UHFFFAOYSA-N 349.390 4.750 0 40 EJAB CCOC(=O)N[C@@H]1Cc2ccccc2[C@H]1Sc1ccc(Cl)cc1 3047687 NVJOKZZYFMPHNR-IAGOWNOFSA-N 347.867 4.844 0 40 EJAB O=S(=O)(c1ccccc1)c1ccc2c(c1)Sc1ccccc1N2 3065560 UUNLUANMOSPSJL-UHFFFAOYSA-N 339.441 4.728 0 40 EJAB CCCC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)c(C)c1 4700842 KJMMBWRUMRFVKP-UHFFFAOYSA-N 336.391 4.732 0 40 EJAB CC[C@@H](C)[C@@H](C(=O)Nc1cc(C(=O)OC)ccc1C)c1ccccc1 7801238 XXUXHTOWRUTVMA-AUUYWEPGSA-N 339.435 4.550 0 40 EJAB Cc1ccc(C(=O)CN(C2=NCCCC2)c2cc(C)ccc2C)cc1 8411359 IDMBPBFXKDMYEO-UHFFFAOYSA-N 334.463 4.884 0 40 EJAB COc1ccccc1[C@@H](C)NC(=O)c1cc(C2CC2)nc2ccccc12 9514865 GEMBXOXDBLEPTD-CQSZACIVSA-N 346.430 4.612 0 40 EJAB O=C1OC(c2ccc3ccccc3c2)=N/C1=C\C=C\c1ccccc1 13600963 LUORJDCMIDPXOZ-LRFQPHQISA-N 325.367 4.741 0 40 EJAB C[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(F)c(F)c1 13709358 WODQNTOXNLDWQT-LBPRGKRZSA-N 327.330 4.524 0 40 EJAB Cc1ccc(NC(=S)Nc2ccc(Br)c(C)c2)cc1 13795436 VXUWSRONFSQWOG-UHFFFAOYSA-N 335.270 4.875 0 40 EJAB C[C@@H](NC(c1ccccc1)c1ccccc1)c1nc(C(C)(C)C)no1 23903568 ITNAAPNHMSEWSL-OAHLLOKOSA-N 335.451 4.807 0 40 EJAB CSc1ccccc1C(=O)N1CC[C@H](C)Sc2ccccc21 24584953 CINJWMIUNUJVEN-ZDUSSCGKSA-N 329.490 4.940 0 40 EJAB C[C@@H](CNC(=O)CCCc1ncc(-c2ccccc2)o1)c1ccccc1 32475978 LQSODYTZYRNPID-KRWDZBQOSA-N 348.446 4.584 0 40 EJAB O=C(Nc1ccc2c(c1)OCO2)c1ccc(-c2ccccc2F)s1 32815527 DHQQBEGVLULLSK-UHFFFAOYSA-N 341.363 4.535 0 40 EJAB O=C1Nc2ccccc2/C1=C/c1ccc(OCc2ccccc2)cc1 34783015 APBWBPQBYFARAL-ZHZULCJRSA-N 327.383 4.758 0 40 EJAB COc1ccc2c(c1)C[C@H](C)C1=C2CC[C@]2(C)C1=CC[C@H]2OC(C)=O 37613791 VNZLWPUSAJFFMR-VYALMSHHSA-N 338.447 4.703 0 40 EJAB Cc1cc(N(C)C)ccc1NC(=O)c1oc2ccc(F)cc2c1C 47182682 TTZCBFAQQOOXQP-UHFFFAOYSA-N 326.371 4.507 0 40 EJAB C[C@H](Sc1ccccc1Cl)C(=O)Nc1ccccc1CN(C)C 48374504 GLVLLBGAURBPHW-ZDUSSCGKSA-N 348.899 4.521 0 40 EJAB COc1ccccc1NC(=O)[C@H](C)N[C@H](C)c1cccc2ccccc12 56851985 LEASASBMIQNXAC-CVEARBPZSA-N 348.446 4.526 0 40 EJAB O=C(CSCc1cccc2ccccc12)N1CCc2ccccc21 58166939 BXZNITCINUPVAY-UHFFFAOYSA-N 333.456 4.662 0 40 EJAB C[C@H]1CCCN(C(=O)C23C[C@H]4C[C@@H](C2)CC(c2ccccc2)(C4)C3)C1 58208984 PAQKQWJYRKLVNC-QHJRAYEYSA-N 337.507 4.783 0 40 EJAB CN(CC1CC1)C(=O)/C=C/c1ccc(-c2ccccc2Cl)s1 58407695 APNNKPVEXYBAKT-PKNBQFBNSA-N 331.868 4.950 0 40 EJAB CC[C@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)c1ccc(C)c(C)c1 59351337 LPHLTGFFYNMYPJ-YJBOKZPZSA-N 345.870 4.992 0 40 EJAB c1ccc(CN2CCC[C@H]2c2cccnc2N2CCCCCC2)cc1 72216692 KQIIZZICHODSKM-NRFANRHFSA-N 335.495 4.799 0 40 EJAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2c1ccn[nH]1 118917747 XUSSDKMAUSOQSK-WZYQIZRJSA-N 340.511 4.817 0 40 EJAB CC[C@@H](Oc1ccccc1F)C(=O)N[C@@H](CC(C)C)c1ccccc1 219577858 UQCHUGOKJRNURH-RBUKOAKNSA-N 343.442 4.887 0 40 EJAB Cc1ccccc1CNC(=S)Nc1ccc(OC2CCCC2)cc1 225310257 JFPFALLRTJJCQL-UHFFFAOYSA-N 340.492 4.803 0 40 EJAB CCN(C(=O)C(F)(F)F)c1ccc2nc(-c3cccc(C)c3)oc2c1 226283958 IEIFYMQLWSWFBX-UHFFFAOYSA-N 348.324 4.718 0 40 EJAB Nc1ccc(F)c(NC(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)c1 226764616 RGIUAWFVWPDZRI-UHFFFAOYSA-N 348.736 4.713 0 40 EJAB Cc1nnc([C@H](C)NC(c2ccccc2C)c2ccccc2C)s1 252486140 HHXQQTGDZFDTBC-HNNXBMFYSA-N 337.492 4.904 0 40 EJAB CC(=O)O[C@@H](C(=O)N(c1ccccc1)c1ccccc1)c1ccccc1 1744310 XOBBVCGDORYQQZ-OAQYLSRUSA-N 345.398 4.656 0 40 EJAB O=C(NCc1cccs1)c1ccc(COc2cccc(Cl)c2)o1 2761271 VVCYZRPARPWBAZ-UHFFFAOYSA-N 347.823 4.504 0 40 EJAB C[C@@H](Cc1cccs1)NC(=O)c1cccc(Oc2ccccc2)c1 3211548 DGHUTUBPJDEDLQ-HNNXBMFYSA-N 337.444 4.901 0 40 EJAB CC[C@@H](C)N1C(=O)S/C(=C/c2cccn2-c2ccccc2C)C1=O 4457086 HVFJEJVAAYHYEK-RFRKOGIWSA-N 340.448 4.621 0 40 EJAB O=C(NC1CCCC1)/C(=C/c1ccccc1Cl)c1ccccc1 4543725 XBFXCKCTCULPES-NBVRZTHBSA-N 325.839 4.939 0 40 EJAB C[C@@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)c1ccc(Cl)cc1 5400154 YRAAMEPDWOIOCK-SNVBAGLBSA-N 347.871 4.507 0 40 EJAB Cc1ccc(C(=O)[C@H](Sc2ncccn2)c2ccc(C)cc2)cc1 6911437 HVMVRIIXPLHYQD-LJQANCHMSA-N 334.444 4.810 0 40 EJAB Cc1ccc2oc(CN[C@@H]3CCC[C@H]3Cc3cc(C)no3)c(C)c2c1 12366550 PZFQKVSLJBCGFA-QFBILLFUSA-N 338.451 4.847 0 40 EJAB Cc1ccc(NC(=O)CCCC(=O)c2cccs2)c2cccnc12 12986618 TVVMUBMANCVXBE-UHFFFAOYSA-N 338.432 4.596 0 40 EJAB Cc1ccc(CNC(=S)Nc2ccc(Br)c(C)c2)cc1 13795501 FYBLVFXWMXGVKM-UHFFFAOYSA-N 349.297 4.553 0 40 EJAB CC[C@H](NC(=O)[C@@H](C)Oc1cccc(Cl)c1)c1ccc(C)cc1 20489015 WADOBBFMFNBBNW-KDOFPFPSSA-N 331.843 4.683 0 40 EJAB O=C(NCCc1cccs1)c1ccc(-c2ccc(F)cc2)s1 21911693 VWKUORJIWOFNTE-UHFFFAOYSA-N 331.437 4.588 0 40 EJAB COc1ccc(OC)c(CNC(c2ccccc2)c2ccccc2)c1 25260251 UMYHZFPHAWVQOS-UHFFFAOYSA-N 333.431 4.583 0 40 EJAB Cc1ccc(-c2noc(-c3ccccc3NC(=O)CC(C)C)n2)cc1 32622536 ADASTKLBXIAUSI-UHFFFAOYSA-N 335.407 4.697 0 40 EJAB Cc1ccc(CSc2nc3ccccc3c(=O)n2CC(C)C)cc1 59094243 JNXOQAXRWWQLRT-UHFFFAOYSA-N 338.476 4.653 0 40 EJAB c1ccc([C@@H]2C[C@]34OCCN3[C@@]3(CCCC[C@H]23)Oc2ccccc24)cc1 61991175 KMZWVRIIHGSMOD-JFSTXAPLSA-N 347.458 4.638 0 40 EJAB Cc1ccc([C@@H]2CCCN2C(=O)Nc2cc(C)nn2C(C)(C)C)cc1 65787866 VDNGGXNIGDCKBL-KRWDZBQOSA-N 340.471 4.624 0 40 EJAB C[C@H](N[C@@H](c1ccccc1)c1ccoc1)c1nnc(-c2ccccc2)o1 75612309 JITLUYOGWWMRAP-KXBFYZLASA-N 345.402 4.770 0 40 EJAB CCc1ccc([C@@H](C)NC(=O)[C@@H](CC)Oc2cc(C)cc(C)c2)cc1 78458410 XUJGYJUPLKBZAS-DYESRHJHSA-N 339.479 4.901 0 40 EJAB CO[C@H](C)c1cccc(NC(=O)N(C2CC2)[C@H](C)c2ccco2)c1 84656151 OPQVVJGNOQXUGM-ZIAGYGMSSA-N 328.412 4.745 0 40 EJAB CC(C)c1nccn1-c1ccc(NC(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 96191756 NZHRWYQZVFHTPQ-BBWFWOEESA-N 337.467 4.761 0 40 EJAB O=C(NC12C[C@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2)c1ccccc1 104806517 VUNHAQSVERCVGU-FFACFXHASA-N 331.459 4.707 0 40 EJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1cccc(C)c1 113951858 LHEQRJPQXOHRPH-NRFANRHFSA-N 333.431 4.622 0 40 EJAB COc1ccccc1[C@@H]1Nc2c(C(=O)O)cccc2[C@H]2[C@@H]1[C@H]1CC[C@@H]2C1 169702386 CNVSMRIFPOSVDX-JTYKBVBASA-N 349.430 4.690 0 40 EJAB COc1ccc2cc(CNc3ncnc4cc(F)ccc34)ccc2c1 170622057 SXPNUSGGPGBPIS-UHFFFAOYSA-N 333.366 4.543 0 40 EJAB CC[C@@H](NC(=O)CSCc1ccccc1F)c1ccc(C)cc1 222709687 POTFIGKFUQBLMZ-GOSISDBHSA-N 331.456 4.635 0 40 EJAB CC[C@H](Oc1ccc(C)cc1C)C(=O)N[C@@H](C)c1ccc(C)c(C)c1 222971793 GJGSVPUNJIESAI-ICSRJNTNSA-N 339.479 4.955 0 40 EJAB COc1ccc([C@@H](CC(C)C)NC(=O)Cc2cccc(Cl)c2)cc1 223298613 RWPCTKLCZRPBHH-LJQANCHMSA-N 345.870 4.795 0 40 EJAB O=C(Nc1cccc2ccccc12)c1cc(-c2ccc(F)cc2)on1 224066261 XSXWBCAOEBXDAZ-UHFFFAOYSA-N 332.334 4.886 0 40 EJAB CCCC[C@@H](CC)CNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 224284073 XXJXZBZBDJZWBY-IAGOWNOFSA-N 327.468 4.940 0 40 EJAB CCc1ccc([C@H](C)NC(=O)CCSc2ccc(C)cc2)cc1 224886157 YMIRDGIRFSVXBN-INIZCTEOSA-N 327.493 4.917 0 40 EJAB CCCO[C@](C)(CCC)C(=O)Nc1ccc(OC)c2ccccc12 225844035 IDISUMCIPOMCKJ-HXUWFJFHSA-N 329.440 4.772 0 40 EJAB Cc1ccc(Nc2nc(-c3cccs3)c(CC(=O)O)s2)cc1 408893998 HXRQSDYUSPQECW-UHFFFAOYSA-N 330.434 4.551 0 40 EJAB O=C(c1ccc2ccccc2c1)n1c(-c2cccnc2)nc2ccccc21 642880855 LYSXGIIGTSCKRR-UHFFFAOYSA-N 349.393 4.940 0 40 EJAB COc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2)cc1 175924 PCAJPBZIAFVSEO-HXUWFJFHSA-N 348.377 4.605 0 40 EJAB O=C(Nc1cccc(Cl)c1)Nc1nnc(-c2ccc(Cl)cc2)o1 393087 VJANFYTVNRQTQE-UHFFFAOYSA-N 349.177 4.687 0 40 EJAB biogenic Cc1ccc(C(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)cc1 421875 OGQCSAKUJZCNBP-UHFFFAOYSA-N 344.823 4.673 0 40 EJAB CCCCc1ccc(NC(=O)c2cccc(NC(=O)C(C)C)c2)cc1 4681082 CABMWDMBPAAGSP-UHFFFAOYSA-N 338.451 4.876 0 40 EJAB CC(C)(C)c1cc(C(=O)O)c2cc(C(C)(C)C)cc(C(=O)O)c2c1 4839523 MEQDQUOVXTZEBZ-UHFFFAOYSA-N 328.408 4.831 0 40 EJAB CCOc1ccccc1NC(=O)c1ccc(COc2ccccc2)o1 5032729 XSZYWWGMJAULOJ-UHFFFAOYSA-N 337.375 4.510 0 40 EJAB COCc1c(C(=O)Nc2cc(Cl)ccc2C)oc2ccccc12 5511874 MHMWZLRJWKRQJV-UHFFFAOYSA-N 329.783 4.793 0 40 EJAB CCNc1nc(-c2cccnc2)nc2scc(-c3ccccc3)c12 6399666 TXQVPYCKJRUIQJ-UHFFFAOYSA-N 332.432 4.852 0 40 EJAB COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cccs2)cc1 7883915 WADFJMZDIWTMQV-GOSISDBHSA-N 336.416 4.528 0 40 EJAB Cc1cc(C)c2oc(-c3cc(NC(=O)C(C)(C)C)ccc3O)nc2c1 9306304 GEPRGKQCDQZZIK-UHFFFAOYSA-N 338.407 4.802 0 40 EJAB CCOc1ccc(CNC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1 10448469 OWGMXQJEBONHFQ-CYBMUJFWSA-N 349.883 4.536 0 40 EJAB O=C(NCCCCOc1ccccc1)c1ccc(Cl)cc1Cl 11079320 YTNQPPUQIZVFKA-UHFFFAOYSA-N 338.234 4.582 0 40 EJAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(F)cc1F 13708456 WMLKROUWUIJBEG-GFCCVEGCSA-N 327.330 4.524 0 40 EJAB CC(C)Oc1cccc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)c1 20458183 VPMUFXGROZDVEJ-ZDUSSCGKSA-N 333.815 4.533 0 40 EJAB COc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)c(OC)c1 21595876 DYQHTXUDIPBVBZ-JLHYYAGUSA-N 349.386 4.616 0 40 EJAB CCOC(=O)Nc1c(-c2ccc(Cl)cc2)nc2cc(C)ccn12 27023983 ZSSJXTKPMJGZDB-UHFFFAOYSA-N 329.787 4.532 0 40 EJAB CCOc1ccc(C(C)=O)cc1CN1C(=O)c2cccc3cccc1c23 28914542 QGKABWXACIAMNN-UHFFFAOYSA-N 345.398 4.602 0 40 EJAB CN(CC(=O)Nc1cc(Cl)ccc1Cl)[C@H]1CCc2ccccc21 29482636 ZJDXLGCYHNUWIR-KRWDZBQOSA-N 349.261 4.551 0 40 EJAB CCc1ccccc1NC(=O)c1ccc(CN2CCCCCC2)cc1 38833678 BLOGGEMKNNZJNX-UHFFFAOYSA-N 336.479 4.877 0 40 EJAB Cc1ccc(-c2cc(C(=O)Nc3ccc(C)c4ncccc34)no2)cc1 41157073 SFNULPRREYBKAW-UHFFFAOYSA-N 343.386 4.759 0 40 EJAB COc1ccc(NC(=S)Nc2ccc(Cl)cc2Cl)cc1F 44194792 BVESQRUNNBXGHX-UHFFFAOYSA-N 345.226 4.950 0 40 EJAB Brc1ncccc1[C@H]1CCCCN1Cc1ccccc1 72211635 MITUYOFDPFMEEL-MRXNPFEDSA-N 331.257 4.571 0 40 EJAB Cc1ccoc1C(=O)Nc1c(F)cccc1OCc1ccccc1 72285681 CDBQSLKVDYUKPS-UHFFFAOYSA-N 325.339 4.558 0 40 EJAB Cn1cc(CNCCC2=CCCCC2)c(-c2cc3ccccc3o2)n1 84314144 GQHNUNAEMJWADE-UHFFFAOYSA-N 335.451 4.813 0 40 EJAB O=C(N[C@@H]1C[C@@H]1c1ccccc1)C1(c2cccc(F)c2)CCCCC1 89828044 NSOCRLVIKLHWEK-WOJBJXKFSA-N 337.438 4.700 0 40 EJAB Cc1coc(-c2cccc(NCc3csc(-c4ccccn4)n3)c2)n1 95429332 URUKNWYHPPDODY-UHFFFAOYSA-N 348.431 4.781 0 40 EJAB O=C1S/C(=C\Nc2ccc(Br)cc2)c2ccccc21 100056613 YEPOLCIQLDYTDX-ZROIWOOFSA-N 332.222 4.747 0 40 EJAB C[C@@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(SC(F)F)nnc1-c1ccco1 103941870 GMWJMRKOXMIECE-FIQHERPVSA-N 339.411 4.850 0 40 EJAB COc1ccc(-c2nc3cc(Br)cc(Cl)c3[nH]2)cc1 216917133 XVAMHBYVEOTFQF-UHFFFAOYSA-N 337.604 4.654 0 40 EJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)n1cc(C=O)c2ccccc21 216923399 NUFHRPYDXKGEQQ-UHFFFAOYSA-N 341.794 4.605 0 40 EJAB COc1ccc([C@@H](C)NC(=O)CCc2cccc3ccccc23)cc1 222675155 ZTVDOMQLBNYBOO-MRXNPFEDSA-N 333.431 4.658 0 40 EJAB COc1cc(C)c([C@@H](C)NC(=O)Cc2ccccc2F)cc1C(C)C 223387677 FABFMJOSNRCHJL-OAHLLOKOSA-N 343.442 4.686 0 40 EJAB CC[C@H](C(=O)O)N(CC)c1cc(Cl)ccc1Oc1ccccc1 225005322 POVJXPNLECZJJZ-OAHLLOKOSA-N 333.815 4.822 0 40 EJAB CCc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2cc(C)ccc2C)cc1 225256653 BBZWOGFOLVDWGX-SJORKVTESA-N 325.452 4.511 0 40 EJAB CO[C@]1(C(=O)Nc2cc(C)c(OCC(C)C)c(C)c2)CCC[C@H](C)C1 225638575 JWTKZDWMIYRISZ-YCRPNKLZSA-N 347.499 4.872 0 40 EJAB CC[C@H](C)N1C(=O)S/C(=C/c2ccccc2O[C@H](C)CC)C1=O 409010142 JSRSAXALTMZHFM-NGTWCYAPSA-N 333.453 4.699 0 40 EJAB C[C@@H](Cc1csc2ccccc12)NC(=O)c1ccc(Cl)s1 575621689 RBJZJFSXZNADCD-JTQLQIEISA-N 335.881 4.977 0 40 EJAB O=C(Nc1cc(-c2cc(F)cc(F)c2)[nH]n1)c1ccc2ccccc2c1 1545493545 BPZQHZMTIZJKJR-UHFFFAOYSA-N 349.340 4.760 0 40 EJAB O=C(c1ccccc1OCc1ccccc1)[C@H]1O[C@H]1c1ccccc1 162355 ZZINOVZILZHGHN-FCHUYYIVSA-N 330.383 4.588 0 40 EJAB Cc1ccccc1-c1nnc2c3ccccc3c(-c3ccccc3)nn12 532819 JOLWZLSDOZTCND-UHFFFAOYSA-N 336.398 4.920 0 40 EJAB CSc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1 582490 GBEKZAUSLBFMKK-UHFFFAOYSA-N 348.276 4.516 0 40 EJAB CC(C)Cc1ccc(/C=C/C(=O)NCCc2c[nH]c3ccccc23)cc1 2383628 JZZLTPBKFGVDEM-VAWYXSNFSA-N 346.474 4.739 0 40 EJAB Cc1cc(C)c2nc(NC(=O)c3cc4c(s3)CCC4)sc2c1 3180376 RAJPYWNPBGCLAP-UHFFFAOYSA-N 328.462 4.716 0 40 EJAB c1ccc(Cc2nnc3sc(-c4cccc5ccccc45)nn23)cc1 4667783 YICNPSJTBVXVMI-UHFFFAOYSA-N 342.427 4.597 0 40 EJAB CC(=O)N(c1ccccc1)[C@@H](C(=O)c1ccccc1)c1ccccc1 5431250 UGHPGBNFXXYGSP-OAQYLSRUSA-N 329.399 4.664 0 40 EJAB CC[C@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc(OC)cc3)=NN21 5554536 YWQCDIMSKAEIPY-PKOBYXMFSA-N 342.826 4.628 0 40 EJAB CCCCCCOc1ccc(C(=O)Nc2ccc3cn[nH]c3c2)cc1 6419750 KDZFVSHAQJBBKY-UHFFFAOYSA-N 337.423 4.774 0 40 EJAB CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)N(C)Cc1ccccc1F 6637453 ADGWYZAXVIOGRE-JKSUJKDBSA-N 342.458 4.798 0 40 EJAB COc1ccc(CCC(=O)Nc2cc(C(C)(C)C)ccc2OC)cc1 6886513 IHRBJFXHKACSOV-UHFFFAOYSA-N 341.451 4.573 0 40 EJAB Cc1cc(C)c2c(O)c(CN(CC(C)C)CC(C)C)c(C)nc2c1 8717405 WREMSBWNMBGXFJ-UHFFFAOYSA-N 328.500 4.980 0 40 EJAB Cc1ccc(NC(=O)CCc2ncc(-c3ccc(F)cc3)o2)c(C)c1 8747960 LYQYBXZRJRUXPL-UHFFFAOYSA-N 338.382 4.669 0 40 EJAB CC(C)CC[C@]1(CC(=O)Nc2cncs2)CCO[C@H](C(C)C)C1 8992117 VVVCWIBWABJZOL-YJBOKZPZSA-N 338.517 4.729 0 40 EJAB Cc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1F 9909295 TUFLNHVODVEXTN-UHFFFAOYSA-N 330.359 4.649 0 40 EJAB Cc1ccc2c(CC(=O)Nc3ccccc3C(F)(F)F)coc2c1 16750811 LZZYGCQFNWDORG-UHFFFAOYSA-N 333.309 4.941 0 40 EJAB Cc1ccsc1C(=O)N1CCC[C@@H](c2cc3ccccc3cn2)C1 19238554 KQPUWMRQBPYPLD-QGZVFWFLSA-N 336.460 4.625 0 40 EJAB CC[C@H](C)c1ccccc1O[C@@H](C)C(=O)Nc1ccc(Cl)c(N)c1 19736697 MYFXIFSWODZJOP-STQMWFEESA-N 346.858 4.842 0 40 EJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)c1ccc(C)cc1C 20112578 HEDDFWWFMRCTGS-DNVCBOLYSA-N 345.870 4.992 0 40 EJAB O=C(Nc1ccc(Cl)c(C(=O)O)c1)c1ccc(Cl)c(Cl)c1 20138702 YLZKDHVMLVMTNM-UHFFFAOYSA-N 344.581 4.597 0 40 EJAB Cc1ccc(C(=O)COC(=O)/C=C/c2cccc3ccccc23)s1 21855989 CBPVGYJWDHXCSX-ZRDIBKRKSA-N 336.412 4.649 0 40 EJAB Cc1ccc(-c2cc(C(=O)Nc3nc4ccc(C)cc4s3)no2)cc1 27662603 GEAAJHCBHNNQHA-UHFFFAOYSA-N 349.415 4.820 0 40 EJAB COc1ccc2oc(C)c(C(=O)N(C)Cc3ccc(C)cc3C)c2c1 48288352 ZEWMXBVJQSZVLV-UHFFFAOYSA-N 337.419 4.639 0 40 EJAB CCCCN1Cc2ccc(NC(=O)/C=C/c3cccs3)cc2C1 58309532 RMONFMYBVRGADC-CMDGGOBGSA-N 326.465 4.516 0 40 EJAB CCC(=O)Nc1ccc([C@H](C)NCc2csc(C(C)(C)C)n2)cc1 67186614 GSXHZQZWSMEOBD-ZDUSSCGKSA-N 345.512 4.640 0 40 EJAB C[C@H](Nc1cccc(CN2CCCCC2=O)c1)c1ccccc1F 71902639 VEHXJPDDYZUQEV-HNNXBMFYSA-N 326.415 4.511 0 40 EJAB CCC[C@H](C)C(=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12 84740083 YSKNAWICIPWTSH-WRUITMHCSA-N 333.475 4.836 0 40 EJAB CC[C@@H](Nc1ccc2c(c1)CC(=O)N2)c1ccc(Br)cc1 97014936 HWEHKYQOJQONKP-OAHLLOKOSA-N 345.240 4.507 0 40 EJAB CC(C)c1ccccc1O[C@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 113954347 RJUWPRFCBYGUGO-LSDHHAIUSA-N 329.415 4.594 0 40 EJAB CC(C)Oc1c(Br)cc(Br)c2cccnc12 201841059 NHYCYXNNMCFJLB-UHFFFAOYSA-N 345.034 4.547 0 40 EJAB CCSc1ccccc1NC(=O)CCc1ccc(OC)c(C)c1 223130777 MIOWUJZWWYRYTH-UHFFFAOYSA-N 329.465 4.687 0 40 EJAB Cc1cc(C)c(S(=O)(=O)N(C)Cc2ccc(C(C)C)cc2)c(C)c1 223720516 HHLVBSZDOTZGED-UHFFFAOYSA-N 345.508 4.556 0 40 EJAB C[C@@H](NC(=S)Nc1ccc(Oc2ccccc2)nc1)c1ccccc1 223959133 DYQUEBJSMRKJLD-OAHLLOKOSA-N 349.459 4.922 0 40 EJAB Cc1ccc(C(=O)NCCSCc2cccc(Cl)c2)c(C)c1 225154819 SYZARWBUZZOYDZ-UHFFFAOYSA-N 333.884 4.620 0 40 EJAB CCCCOc1ccc(NC(=O)[C@@]2(OC)CCC[C@@H](C)C2)cc1C 225637458 DZSZSTUYYMTTSU-FOIQADDNSA-N 333.472 4.708 0 40 EJAB O=C(NCc1cncc(-c2cccs2)c1)c1ccc(F)cc1Cl 225664117 JOBZQQLOGWCBOF-UHFFFAOYSA-N 346.814 4.533 0 40 EJAB O=C(NCc1ccc(-c2ccccc2)s1)c1ccc2ncccc2c1 1529878976 XLXNPGQKPVSXEK-UHFFFAOYSA-N 344.439 4.893 0 40 EJAB CN(C)c1ccc(-c2nc3ccccn3c2NCc2ccccc2)cc1 413662 LOYDXCWLIQUJKP-UHFFFAOYSA-N 342.446 4.679 0 40 EJAB Cc1cccc(C)c1NC(=S)NCc1cccc(C(F)(F)F)c1 2532730 LCPRRPVHQZZXLJ-UHFFFAOYSA-N 338.398 4.809 0 40 EJAB C[C@H](Cc1cccs1)NC(=O)Nc1ccc(Cl)c(Cl)c1 3211527 SUTXKQMQDNIBSV-SECBINFHSA-N 329.252 4.808 0 40 EJAB O=C(CSc1cnc2ccccc2n1)c1ccc(Cl)c(Cl)c1 3256486 MHMIOINLNOKTMN-UHFFFAOYSA-N 349.242 4.912 0 40 EJAB Cc1cc2cc(CNC(=O)c3ccc(Cl)cc3Cl)ccc2[nH]1 4138053 JYMXSWATNAJQCP-UHFFFAOYSA-N 333.218 4.713 0 40 EJAB O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)Nc1nnc(-c2ccccc2Cl)s1 4570661 FBLJVCBHQZBBNU-QJPTWQEYSA-N 347.871 4.623 0 40 EJAB Fc1ccc(-c2nnc(SCc3nc4ccccc4s3)o2)cc1 4602035 CHTSTALKIOGUFG-UHFFFAOYSA-N 343.408 4.778 0 40 EJAB c1ccc(-c2nc(CSc3nnc(-c4ccco4)o3)cs2)cc1 4828270 BBNCPAXXYHGOTF-UHFFFAOYSA-N 341.417 4.745 0 40 EJAB Cc1nc(SCC(=O)c2c[nH]c3ccccc23)n(CC(C)C)c1C 6582156 KTRHXFRKPQTJSA-UHFFFAOYSA-N 341.480 4.612 0 40 EJAB Cc1ccc(NC(=O)Cc2sc(C)nc2-c2ccc(F)cc2)cc1 7652059 XVBIXHIZAKVBQM-UHFFFAOYSA-N 340.423 4.747 0 40 EJAB CC(C)c1ccc(OCC(=O)N[C@H](C)c2cc3ccccc3o2)cc1 8240625 IRWAJLLMENDGCA-OAHLLOKOSA-N 337.419 4.812 0 40 EJAB Cn1c(SCC(=O)c2ccc3ccccc3c2)nc2ccccc21 8725184 GJXAVPCHZJTPCA-UHFFFAOYSA-N 332.428 4.702 0 40 EJAB Cc1ccc(NC(=O)CSc2ncc(-c3ccc(F)cc3)o2)cc1 10714689 LMTMBIUQNWTEBS-UHFFFAOYSA-N 342.395 4.520 0 40 EJAB c1cncc(-c2nc(N3CC[C@@H]4CCCC[C@@H]4C3)c3ccccc3n2)c1 12747813 OMPIEIUHJRIKOH-FUHWJXTLSA-N 344.462 4.708 0 40 EJAB CC(C)[C@H](NC(=O)N(C)Cc1ccsc1)c1ccc(Cl)cc1 12973249 CASYORICQKFMGC-INIZCTEOSA-N 336.888 4.940 0 40 EJAB COc1c(Cl)cc(C(=O)Nc2ccc(F)cc2C)cc1Cl 19203720 KREIHUGXYNQBKI-UHFFFAOYSA-N 328.170 4.702 0 40 EJAB Cc1cc2occ(CC(=O)N(Cc3ccccc3)C3CC3)c2cc1C 31087273 VMTFPTIYYKFYFM-UHFFFAOYSA-N 333.431 4.783 0 40 EJAB O=C(Nc1ccccc1)c1ccccc1OCc1nc2ccccc2o1 31678932 MWYYJPXVRLJYKC-UHFFFAOYSA-N 344.370 4.659 0 40 EJAB C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)o1)C(=O)c1ccccc1 31685531 HJAODULBWNYUTG-LBPRGKRZSA-N 349.415 4.581 0 40 EJAB C[C@@H](c1nc(C(C)(C)C)no1)N(C)CC12CC3CC(CC(C3)C1)C2 40057089 PCEKUMCEQMRZMI-IVKJLDKCSA-N 331.504 4.576 0 40 EJAB COc1ccc(NC(=O)c2ccc(OCc3cccs3)cc2)cc1 40073362 WCMFITVVQKMNMI-UHFFFAOYSA-N 339.416 4.588 0 40 EJAB Cc1ccn2cc(-c3ccc4c(c3)CCN4C(=O)CC(C)(C)C)nc2c1 57773957 BMFZZYDJQDHROI-UHFFFAOYSA-N 347.462 4.635 0 40 EJAB C[C@H](CCc1ccco1)Nc1nc(-c2ccncc2)nc2ccccc12 65504624 QEUPLOLVRVUVNA-OAHLLOKOSA-N 344.418 4.718 0 40 EJAB CCN(Cc1ccccn1)C(=O)N[C@@H](c1cc2ccccc2o1)C1CC1 84438836 SPTWYAUVWRQOSC-HXUWFJFHSA-N 349.434 4.511 0 40 EJAB Cc1c(COC(C)C)cccc1NCc1nnc(-c2ccccc2)o1 95414884 BRQHEKKDDLBMGW-UHFFFAOYSA-N 337.423 4.582 0 40 EJAB CC(C)n1ccc(C[S@](=O)[C@@H](C)c2ccc(Cl)c(Cl)c2)n1 95418338 PYMISHCUFFJWAX-WIUDPPPLSA-N 345.295 4.781 0 40 EJAB CO[C@@H]1CC2(CCN(Cc3ccsc3)CC2)c2ccc(C)cc21 96100186 GDLUJQUMHPMSLY-LJQANCHMSA-N 327.493 4.682 0 40 EJAB CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1ccc(F)c(Cl)c1 222953163 GGTOYHPYXKSLDT-INIZCTEOSA-N 335.806 4.892 0 40 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346.455 4.585 0 40 EJAB COC(=O)[C@H](CC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1 5605927 KEJILQKPDRGJCH-OAQYLSRUSA-N 344.410 4.883 0 40 EJAB O=C(c1cnn(-c2ccccc2)c1-c1ccccc1)N1CCCCCC1 6242346 LQKUFLUKAZECPJ-UHFFFAOYSA-N 345.446 4.556 0 40 EJAB COc1ccccc1CNc1nc(-c2c(F)cccc2F)cs1 6589698 OCHYJHUYFKKVNE-UHFFFAOYSA-N 332.375 4.709 0 40 EJAB Cc1cc(C)c2oc(C(=O)Nc3ccc(C)c(Cl)c3)cc(=O)c2c1 6811325 HDYWYODJCMVLOV-UHFFFAOYSA-N 341.794 4.624 0 40 EJAB O=S(=O)(/C=C/c1ccccc1)Nc1ccccc1-c1ccccc1 7057190 PEICOESWWWHVRI-FOCLMDBBSA-N 335.428 4.766 0 40 EJAB CCOc1ccc([C@H](C)NC(=O)c2cccc(Cl)c2)cc1OCC 10542776 STDHYXHVYPACMP-ZDUSSCGKSA-N 347.842 4.628 0 40 EJAB Cc1cc(CNC(=O)c2sc(-c3cccs3)nc2C)ccc1F 10552097 IWNGPTAZDILBPF-UHFFFAOYSA-N 346.452 4.558 0 40 EJAB O=C(Nc1ccccc1F)Nc1c2c(nc3ccccc13)CCCC2 12541292 WWKNIMFLPXCCMD-UHFFFAOYSA-N 335.382 4.897 0 40 EJAB CCCCc1ccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1 12578333 ICHRBMKPQSEIPF-HXUWFJFHSA-N 347.462 4.883 0 40 EJAB C[C@@H](c1cccs1)N(C)C(=O)/C=C/c1nc2ccccc2s1 14068837 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335.860 4.617 0 40 EJAB C[C@H](NC(=S)N1CCCCC[C@@H]1c1ccncc1)c1ccccc1 84656609 CZZPYZOVVLHTPW-QFBILLFUSA-N 339.508 4.634 0 40 EJAB CCOc1cc(CO)cc(Cl)c1OCc1c(F)cccc1Cl 95095031 NUEPMYGKJHKBHR-UHFFFAOYSA-N 345.197 4.603 0 40 EJAB Cc1noc(C)c1[C@@H](C)N[C@@H](C)c1cc(Br)ccc1F 95967999 WIZGCFOFHBHWJT-DTWKUNHWSA-N 341.224 4.605 0 40 EJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccc(F)cc1 113956538 MRERHEKBSYHLKX-YVEFUNNKSA-N 335.806 4.514 0 40 EJAB Cc1cccc(-n2nc(C(F)(F)F)c(-c3ccc(F)cc3)c2N)c1 225179509 QVNBPSHRKNEFJL-UHFFFAOYSA-N 335.304 4.588 0 40 EJAB Cc1cccc(CSCCNC(=S)Nc2cc(C)ccc2C)c1 225336191 MKZRGBVTCPVYKY-UHFFFAOYSA-N 344.549 4.832 0 40 EJAB O=C(Nc1cccc(C(F)(F)F)c1)c1conc1-c1ccccc1 225871416 KYGJZFKVTIHPNX-UHFFFAOYSA-N 332.281 4.613 0 40 EJAB COc1ccc2cc(C(=O)Nc3c(C)cc(C)cc3C)c(C)nc2c1 358295211 ZPGKXEGQJXQBCN-UHFFFAOYSA-N 334.419 4.729 0 40 EJAB CC(C)Cc1ncc(C(=O)N2[C@@H](C)c3ccc(F)cc3C[C@H]2C)s1 1518646948 TZHNQYJSQBDDCT-OLZOCXBDSA-N 346.471 4.629 0 40 EJAB Cc1ccc(-c2nc3cccnc3o2)cc1NC(=O)c1cccs1 235275 LPZGPGBXIPVDQO-UHFFFAOYSA-N 335.388 4.512 0 40 EJAB Cc1ccc(Cl)cc1NC(=O)c1cnc(-c2ccccc2)nc1C 516090 KVORUKAZXDTZSG-UHFFFAOYSA-N 337.810 4.666 0 40 EJAB O=C(Nc1ccccc1)c1ccccc1NC(=S)Nc1ccccc1 587854 GSHOQQCRMNDXQP-UHFFFAOYSA-N 347.443 4.748 0 40 EJAB C[C@H]1CC(C)(C)N2C(=O)[C@]3(Nc4ccccc4S3)c3cccc1c32 2352457 BFQJGJYTDOYXDQ-YUNKPMOVSA-N 336.460 4.690 0 40 EJAB Cc1ccc(NC(=S)c2sc(N3CCCCC3)nc2C)cc1C 2638209 MDEQRHQQHAANBT-UHFFFAOYSA-N 345.537 4.846 0 40 EJAB O=C(Nc1ccc(-c2nc3cccnc3s2)cc1)c1ccccc1F 2961286 HARYMYDRHQVTQA-UHFFFAOYSA-N 349.390 4.750 0 40 EJAB COc1ccc(/C=C/C(=O)Oc2cc(C)cc(C(C)C)c2)cc1OC 3292013 SGJZHJUWTQKSOQ-VQHVLOKHSA-N 340.419 4.754 0 40 EJAB CCc1ccc(-c2csc(NC(=O)[C@H]3C[C@H]4CC[C@@H]3C4)n2)cc1 4614056 AHHKLTZSMVVPOJ-IMJJTQAJSA-N 326.465 4.747 0 40 EJAB c1ccc(CNCN2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1 5518202 QLNYXSZSBGQDLK-QHCPKHFHSA-N 341.458 4.585 0 40 EJAB COc1ccc([C@H]2Oc3ccccc3[C@H]3CC(CC(C)C)=NN32)cc1 5524399 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COc1ccc(Cl)cc1NC(=S)Nc1ccccc1Cl 13787089 KAUHABKHPOTEIN-UHFFFAOYSA-N 327.236 4.811 0 40 EJAB CN(C(=O)c1ccc(C2SCCCS2)cc1)c1ccccc1 14118455 GWTZWVGERHWKGG-UHFFFAOYSA-N 329.490 4.832 0 40 EJAB CN(Cc1nc(-c2ccccc2)no1)Cc1cccc(Cl)c1Cl 15299655 FXANGRFZYNGEJV-UHFFFAOYSA-N 348.233 4.675 0 40 EJAB O=C(CSCc1ccc(Cl)cc1)NCc1ccccc1Cl 15583638 KTGKGGOLGJEEIC-UHFFFAOYSA-N 340.275 4.543 0 40 EJAB CCN(CC12CC3C[C@H](CC[C@H](C3)C1)C2)C(=O)COc1ccccc1 16778720 CDOIPWOOYCXRHK-JREAUHRESA-N 341.495 4.520 0 40 EJAB COc1ccc(CSCC(=O)Nc2cc(Cl)ccc2C)cc1 20237826 WOBJRBVDCHSCPF-UHFFFAOYSA-N 335.856 4.529 0 40 EJAB C[C@@H](SC1=Nc2ccccc2CS1)C(=O)Nc1cccc(F)c1 22022479 BHLWCXLGVJFMBM-LLVKDONJSA-N 346.452 4.820 0 40 EJAB CC(C)c1ccccc1O[C@@H](C)C(=O)N(C)Cc1ccc(Cl)cc1 22526783 PECUTIPLYUDXKV-HNNXBMFYSA-N 345.870 4.889 0 40 EJAB Cc1nc(C(F)(F)F)ccc1C(=O)N[C@@H](C)c1cc2ccccc2o1 23114386 PHLAEVFQLNIZSC-NSHDSACASA-N 348.324 4.646 0 40 EJAB Cc1cc2occ(CC(=O)N(C)[C@H]3CCc4ccccc43)c2cc1C 27825223 FIWIJDROTYHDCI-FQEVSTJZSA-N 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XQUUWINBTHXKLR-BUXKBTBVSA-N 332.745 4.625 0 40 EJAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)Nc1nnc(-c2ccccc2Cl)s1 136385532 FBLJVCBHQZBBNU-SDDRHHMPSA-N 347.871 4.623 0 40 EJAB COc1cccc([C@@H]2Nc3c(C(=O)O)cccc3[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)c1 197188728 KIVRFPDDAWMQAB-FQPNBZCCSA-N 349.430 4.690 0 40 EJAB CC(C)n1c(Cl)nc2cc(C(=O)N[C@@H](C)c3ccccc3)ccc21 222543531 CCAPLLLFJBUVSN-ZDUSSCGKSA-N 341.842 4.762 0 40 EJAB COc1cc2ccccc2cc1C(=O)NCc1ccc2ccccc2c1 222797662 UEJVOFIREOABAQ-UHFFFAOYSA-N 341.410 4.932 0 40 EJAB CC[C@H](NC(=O)[C@H](C)Oc1cccc2c1CCCC2)c1ccccc1 223744356 CFPWBIMMFDQZHX-JXFKEZNVSA-N 337.463 4.600 0 40 EJAB Cc1ccc2[nH]c(-c3ccc(C(=O)NC4CCCCC4)cc3)nc2c1 225260235 RSKJTTVDEKETNC-UHFFFAOYSA-N 333.435 4.601 0 40 EJAB CO[C@@]1(C(=O)Nc2ccc(OC3CCCC3)cc2)CCC[C@@H](C)C1 225633704 YWWRJSWPNZDUTN-QRWLVFNGSA-N 331.456 4.542 0 40 EJAB CCC[C@]1(C)CCCN(C(=O)CCc2cccc(OC(C)(C)C)n2)C1 622402821 FJDPTIIQSITYLR-OAQYLSRUSA-N 346.515 4.620 0 40 EJAB CC(C)Cn1ncc(NC(=O)C[C@H]2CCCC(C)(C)C2)c1C1CC1 622602182 XGGILWFMGJCURP-OAHLLOKOSA-N 331.504 4.962 0 40 EJAB C[C@]1(C2CCCCC2)CCN1C(=O)C1CC(c2ccc(F)cc2)C1 1558070221 HHOIXHXRCYPXID-MYKUNDNFSA-N 329.459 4.891 0 40 EJAB CC(C)Cc1nc2ccccc2c(=O)n1-c1cccc2ccccc12 383834 ISHSFKTZSAFQRN-UHFFFAOYSA-N 328.415 4.737 0 40 EJAB C[C@@H](CCc1ccccc1)NC(=O)CSc1ccc(Cl)cc1 3222807 JDVLKZTWONALTB-AWEZNQCLSA-N 333.884 4.570 0 40 EJAB O=C(Nc1nc2ccccc2s1)C1(c2cccc(F)c2)CCCC1 3297222 IXAVCVKBBBHUDU-UHFFFAOYSA-N 340.423 4.886 0 40 EJAB CC(=O)Nc1ccc(NC(=O)c2cccc(Oc3ccccc3)c2)cc1 3366041 ZQFJDLPAJULIJA-UHFFFAOYSA-N 346.386 4.690 0 40 EJAB O=C(O)c1cnc2ccc(Cl)cc2c1Nc1cc(Cl)ccc1O 4226238 SQACGBKJRFEMDZ-UHFFFAOYSA-N 349.173 4.689 0 40 EJAB Cc1nc(-c2ccc(Oc3ccccc3)cc2)c(CC(=O)O)s1 4614881 ILVJMLSKFFGWPF-UHFFFAOYSA-N 325.389 4.538 0 40 EJAB CCN(CC)CCOC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 4664829 DOUWUYDOPACKAE-UHFFFAOYSA-N 333.516 4.780 0 40 EJAB CCCC(=O)N(Cc1ccccc1)c1nc2c(F)cc(F)cc2s1 5299733 CRUMCZHENOCNNK-UHFFFAOYSA-N 346.402 4.908 0 40 EJAB Cc1cc(F)ccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 5617666 SWFOKJYUFPKLLR-JTQLQIEISA-N 342.197 4.847 0 40 EJAB Cc1ccccc1-c1nnc(S[C@H](C)c2ccc(F)cc2)n1C 6148288 XXVFTOBSDUOETF-CYBMUJFWSA-N 327.428 4.783 0 40 EJAB COc1ccc(OC)c(NC(=O)Cc2ccc(-c3ccccc3)cc2)c1 6395981 CFPMFIUBSMRESE-UHFFFAOYSA-N 347.414 4.552 0 40 EJAB COc1ccccc1-c1nc(CN2CCCc3ccccc32)cs1 6831985 PWQUSMDQNZVPLT-UHFFFAOYSA-N 336.460 4.772 0 40 EJAB Cc1ccc2cccc(OCC(=O)Nc3ccc(C(C)(C)C)cc3)c2n1 6865760 JKQKBWFKLNWSKC-UHFFFAOYSA-N 348.446 4.858 0 40 EJAB CCc1ccc(N(CC(=O)c2cccs2)C2=NCCCCC2)cc1 6870972 KNLOMHCGBAXHNG-UHFFFAOYSA-N 340.492 4.972 0 40 EJAB Cc1cc2oc(=O)cc(COc3ccc(F)cc3Cl)c2cc1C 7107717 DRQHXORGHLQTHP-UHFFFAOYSA-N 332.758 4.781 0 40 EJAB COc1cc(CNCc2ccc(C)cc2)ccc1OCc1ccccc1 7525178 QRLHTWLABLTKNW-UHFFFAOYSA-N 347.458 4.872 0 40 EJAB O=C(O)c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 7604023 JHKXEPIXCCAAPC-UHFFFAOYSA-N 331.582 4.924 0 40 EJAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1ccc(F)cc1 8751048 ZQIGNSCSSQCZMP-UHFFFAOYSA-N 344.773 4.705 0 40 EJAB O=C(Nc1ccc(C(=O)c2cc3ccccc3o2)cc1)c1ccco1 12323276 BXILNWCPWSNLOL-UHFFFAOYSA-N 331.327 4.509 0 40 EJAB biogenic Cc1cccc(NC(=O)C2[C@H]3CC[C@@H]4[C@H](CC[C@@H]23)C4(Cl)Cl)c1 12462810 ILZRVBWTTJKFOR-UWCTXQHWSA-N 338.278 4.790 0 40 EJAB O=C(Nc1ccccc1F)N[C@@H](c1ccc(F)cc1)c1cccs1 12797148 LTEUHNZVXUXWGG-KRWDZBQOSA-N 344.386 4.937 0 40 EJAB CCc1ccc(-[n+]2cc(-c3ccc(F)cc3)n3c2SCCC3)cc1 15953157 BQQZIJQIMNHCDO-UHFFFAOYSA-N 339.459 4.629 0 40 EJAB Cc1cc2cc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)ccc2[nH]1 31721934 JNJCWRFLXCZJRM-UHFFFAOYSA-N 342.464 4.575 0 40 EJAB CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@H](C)c1ccc(C)c(C)c1 59351324 ULZLZXMBLSSVTQ-QUCCMNQESA-N 339.479 4.955 0 40 EJAB CCc1ccc(O[C@H](CC)C(=O)N[C@@H](C)c2ccc(C)cc2C)cc1 59351662 RVWPPEIJWUODNX-LAUBAEHRSA-N 339.479 4.901 0 40 EJAB O=[S@](Cc1cccc(Cl)c1)Cc1coc(-c2ccc(F)cc2)n1 69350701 CEOWWQLYLRFUMT-QHCPKHFHSA-N 349.814 4.583 0 40 EJAB CC(C)c1nnc(CN(C)[C@@H](c2ccccc2)c2ccc(F)cc2)o1 69484577 FYEZKQHXQIHPCW-IBGZPJMESA-N 339.414 4.554 0 40 EJAB CCn1c(C(=O)OCc2nc3ccccc3s2)cc2ccccc21 83840129 YRKAOCAUUGYECD-UHFFFAOYSA-N 336.416 4.628 0 40 EJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@H]1CCCc2ccccc21 113956441 ZJTUPBMBKAVNAT-RBUKOAKNSA-N 343.854 4.691 0 40 EJAB C[C@H](C(=O)N(Cc1ccsc1)c1cccnc1)c1cccs1 193504323 UITCAELKIVJGPY-ZDUSSCGKSA-N 328.462 4.542 0 40 EJAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1cccc2ccccc12 222857839 WDMOUUWKRMMJNU-CQSZACIVSA-N 339.822 4.577 0 40 EJAB CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1ccc(OC)c(Cl)c1 222950295 SXZIPWJJVMGGHZ-INIZCTEOSA-N 347.842 4.762 0 40 EJAB Cc1cc(C)c([C@H](C)NC(=O)CSCc2ccccc2)cc1C 223397729 NKBTZMGAFCWXAT-KRWDZBQOSA-N 327.493 4.722 0 40 EJAB CCCC[C@@H](CC)CNC(=O)[C@H](CC)Oc1cccc(Cl)c1 224443987 YPIHHFKFXGCEGJ-PBHICJAKSA-N 325.880 4.830 0 40 EJAB CC(C)c1ccc(CCC(=O)NCCOc2ccc(Cl)cc2)cc1 224596811 CJDKLFQPNLBMHX-UHFFFAOYSA-N 345.870 4.591 0 40 EJAB CC(C)n1cccc1CN(C)C(=O)c1ccc2sc(Cl)nc2c1 225984189 IULVWLAUILPVSP-UHFFFAOYSA-N 347.871 4.604 0 40 EJAB Cc1cccc2cc(C(=O)Nc3cc(Cl)cc(Cl)c3)c(=O)oc12 226034747 YOMMAVZPISKDCX-UHFFFAOYSA-N 348.185 4.661 0 40 EJAB COc1cc(C=O)cc(CSC)c1OCc1ccccc1Cl 226288335 WMZTWRBSZNWYMY-UHFFFAOYSA-N 336.840 4.603 0 40 EJAB Cc1sc2nc(-c3ccc(OCC(C)C)cc3)nc(O)c2c1C 408735509 TVJBHWJGPCCNAM-UHFFFAOYSA-N 328.437 4.716 0 40 EJAB Clc1ccc2nc(CSc3nc4ccccc4[nH]3)c(Cl)n2c1 193591 UDIXEOWLIPVOGO-UHFFFAOYSA-N 349.246 4.810 0 40 EJAB O=C(CSc1nc2ccccc2s1)Nc1cccc(Cl)c1 338696 DQZMZTAAYDATQV-UHFFFAOYSA-N 334.853 4.681 0 40 EJAB CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCC)cc12 522785 POQRVASDGIIGAM-UHFFFAOYSA-N 337.419 4.573 0 40 EJAB O=C(Nc1nc2ccc(Cl)cc2s1)[C@H]1C[C@H]1c1ccccc1 999393 OXNAXRHJNUMJHJ-STQMWFEESA-N 328.824 4.692 0 40 EJAB Cc1csc(N(C(=O)/C=C/c2cccs2)c2ccccc2)n1 3346607 XYDLDLVLAFHSBJ-MDZDMXLPSA-N 326.446 4.891 0 40 EJAB C[C@]1(O)CC[C@@H]2[C@H]3CCC4=C(Cl)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 4026902 SOMOGWLYTLQJGT-AZHACOMFSA-N 336.903 4.836 0 40 EJAB biogenic O=C(O[C@H](Nc1ccccc1)c1ccccc1)C(Cl)(Cl)Cl 4455793 CKFVTQMCJWEAJG-ZDUSSCGKSA-N 344.625 4.711 0 40 EJAB Cc1ccccc1CSCC(=O)Nc1ccccc1C(F)(F)F 4496937 NZHIMXKDGRBKNP-UHFFFAOYSA-N 339.382 4.886 0 40 EJAB CCCCC1=N[C@@H]2Sc3c(OCC)ncnc3[C@@H]2C2=C1CCC2 6309917 MAQIBBSNIMFISD-KBXCAEBGSA-N 329.469 4.516 0 40 EJAB O=C(N[C@@H](c1ccccc1)c1ccc(OC(F)F)cc1)C1CCCC1 7281228 XHPBKUUXJJJLDD-SFHVURJKSA-N 345.389 4.684 0 40 EJAB c1ccc(-c2nnc(CNC(c3ccccc3)c3ccccc3)o2)cc1 7448113 SVEWELBRZFZQQF-UHFFFAOYSA-N 341.414 4.616 0 40 EJAB COc1ccc(-c2cc(C(=O)Nc3cc(Cl)ccc3C)no2)cc1 7616111 HXTZFVRQOYYCPV-UHFFFAOYSA-N 342.782 4.564 0 40 EJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(OC(C)C)c1 8041252 RZOHGJKHNAGSTR-GOSISDBHSA-N 347.842 4.923 0 40 EJAB O=C(NCCCCOc1ccc(Cl)cc1)c1ccccc1Cl 11084599 AGHLXNRGMMHRGJ-UHFFFAOYSA-N 338.234 4.582 0 40 EJAB O=C(Nc1cnc(-c2ccccc2)nc1)c1ccc(Cl)c(Cl)c1 12928485 JKSFLDKBASLQMK-UHFFFAOYSA-N 344.201 4.703 0 40 EJAB CCc1ccc(C(=O)NC(=S)Nc2ccccc2[C@@H](C)CC)cc1 14257695 ZGBYCHPGLWWAOR-AWEZNQCLSA-N 340.492 4.889 0 40 EJAB CCOC(=O)c1cc(Nc2cccc(F)c2)c2cc(Cl)ccc2n1 15829154 SDDLKZOAUMZWSN-UHFFFAOYSA-N 344.773 4.948 0 40 EJAB O=C(OCc1cc(-c2ccccc2F)on1)c1cc2ccccc2o1 16838657 UGXYOFYDFIWGEX-UHFFFAOYSA-N 337.306 4.584 0 40 EJAB Cc1ccc(C)c(-n2nc(C)c(CNCc3ccccc3)c2Cl)c1 17309840 VLTWCHFJDSRQDN-UHFFFAOYSA-N 339.870 4.741 0 40 EJAB CN(Cc1cccc(F)c1)C(=O)Cc1ccc(-c2ccccc2)cc1 18080455 AIJPCYJYHZPVIP-UHFFFAOYSA-N 333.406 4.694 0 40 EJAB Cc1ccc(O[C@H](C)C(=O)N[C@H](CC(C)C)c2ccccc2)cc1 20105143 JXJFUODVLHEOIS-YLJYHZDGSA-N 325.452 4.666 0 40 EJAB Cc1ccc(-c2nc(N3C[C@@H](C)C[C@@H](C)C3)nc3c2CCCC3)cc1 20798164 GKDSUAQWUPLPCC-CALCHBBNSA-N 335.495 4.813 0 40 EJAB Cc1c([C@H]2c3ccccc3C(=O)N2C(C)(C)C)c2ccccc2n1C 23289082 DQKHAGSNWYDTAH-HXUWFJFHSA-N 332.447 4.830 0 40 EJAB O=C(Nc1nc2ccccc2s1)N1CCC[C@H]1Cc1ccccc1 25314295 NNJWJFBREVGBFB-HNNXBMFYSA-N 337.448 4.535 0 40 EJAB Cc1cccc(CNC(=O)CC(c2ccccc2)c2ccccc2)c1 31058064 DVKQPAZFSKEGIE-UHFFFAOYSA-N 329.443 4.833 0 40 EJAB O=C(NC1CCCCC1)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1 32908056 MLOMALNKIMMNEW-CVEARBPZSA-N 340.492 4.795 0 40 EJAB CC[C@H](NC(=O)COc1cc(C)ccc1C(C)C)c1ccccc1 36562619 PGOPYFUDFLXJKT-IBGZPJMESA-N 325.452 4.765 0 40 EJAB CCc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccccc2Cl)cc1 78458053 QKFSZNWJPYNKBP-ZIAGYGMSSA-N 331.843 4.547 0 40 EJAB CC(C)(C)c1cn2nc(N[C@@H]3CCC[C@@H](C(F)(F)F)C3)sc2n1 95947948 PPRCQJVLJIJRLE-NXEZZACHSA-N 346.422 4.621 0 40 EJAB C[C@H](N[C@H](C)c1cccc(N2CCCC2)c1)c1c(F)cccc1F 95964883 JCDNLUAWUKKVEU-CABCVRRESA-N 330.422 4.977 0 40 EJAB CCCC[C@]1(CCN[C@@H]2CCOC(C)(C)C2)CCOC(C)(C)C1 96116119 QDPMBWGVEAFXML-XLIONFOSSA-N 325.537 4.689 0 40 EJAB biogenic CC[C@H](NC(=O)c1ccc(OC(C)C)cc1)c1ccc(C)c(C)c1 218985328 AFHMMILXZHPFHI-FQEVSTJZSA-N 325.452 4.972 0 40 EJAB CCOc1ccccc1CCCNC(=O)c1ccccc1SCC 219646887 DZKJTELYSKIAGC-UHFFFAOYSA-N 343.492 4.560 0 40 EJAB COc1ccccc1/C=C/C(=O)Nc1ccc2c3c(cccc13)CC2 223387542 DFVZTERYXQYHBR-WYMLVPIESA-N 329.399 4.599 0 40 EJAB CCC[C@@H](C)NC(=O)c1ccc(OC)c(COc2cccc(C)c2)c1 224115590 QMSKBCUEHORZIT-MRXNPFEDSA-N 341.451 4.501 0 40 EJAB Cc1cc(C)c(NC(=O)c2ccc3c(c2)OCC(C)(C)CO3)c(C)c1 225362230 PSTOFFWCXRTLPA-UHFFFAOYSA-N 339.435 4.662 0 40 EJAB Cc1ccc(CCCNC(=O)COc2cc(C)ccc2C(C)C)cc1 225758154 IOYDEUQZAKENDD-UHFFFAOYSA-N 339.479 4.555 0 40 EJAB CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)NCC(=O)O 299817126 DSUOLDCTHRQBTI-LTKCOYKYSA-N 333.472 4.553 0 40 EJAB in-vitro Cc1cc(C)cc(CSCC(=O)Nc2ccc(OC(C)C)cc2)c1 408563730 ORAGHDMFTGBODR-UHFFFAOYSA-N 343.492 4.963 0 40 EJAB CCCCOC(=O)c1ccc(NC(=O)c2ccc(C)c(Cl)c2)cc1 409052612 IVMNSEZWCYZCGL-UHFFFAOYSA-N 345.826 4.858 0 40 EJAB CCOC(=O)c1c(NC(C)=O)oc(-c2ccccc2)c1-c1ccccc1 409113643 FBPFDEPPJMOVQE-UHFFFAOYSA-N 349.386 4.749 0 40 EJAB Brc1ccc2c(c1)CC[C@@H](Nc1cccc3cc[nH]c13)C2 1658963763 HDJNHUVJGLSLPR-MRXNPFEDSA-N 341.252 4.900 0 40 EJAB COc1ccc(OC)c2nc(-c3cccc(C(F)(F)F)c3)ccc12 1395323 CGIRDAVDOKYSCS-UHFFFAOYSA-N 333.309 4.938 0 40 EJAB CCCCCCc1nnc(NC(=O)Nc2ccc(C)c(C)c2)s1 2276596 AXUPAWCQBJQBFV-UHFFFAOYSA-N 332.473 4.922 0 40 EJAB COc1ccc(-c2csc3ncnc(NCCC(C)C)c23)cc1 2653788 LUFNFJCHFAJQOD-UHFFFAOYSA-N 327.453 4.825 0 40 EJAB O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(F)cc1 4746410 VLNZEFLXKYQTSC-UHFFFAOYSA-N 332.787 4.855 0 40 EJAB Cc1cccc(C)c1NC[C@H](O)Cn1c2ccccc2c2ccccc21 5521201 PWZKWUMCTISNAS-SFHVURJKSA-N 344.458 4.884 0 40 EJAB Cc1cccn2c(NC(=O)c3ccccc3F)c(-c3ccccc3)nc12 5827162 CLSOIBYVTZNZJB-UHFFFAOYSA-N 345.377 4.701 0 40 EJAB COc1ccc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 7127404 BFWUPDZBRAMDTF-UHFFFAOYSA-N 342.247 4.733 0 40 EJAB Cc1ccc(N[C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1C 7222962 VZHJAOOBPVNIOH-ZDUSSCGKSA-N 336.357 4.761 0 40 EJAB CSc1ccccc1C(=O)OCC(=O)c1cccc2ccccc12 7976710 NUIDKLYXONFAGB-UHFFFAOYSA-N 336.412 4.601 0 40 EJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(OC(C)C)c1 8041251 RZOHGJKHNAGSTR-SFHVURJKSA-N 347.842 4.923 0 40 EJAB Cc1cc(C)n(-c2nnc(Nc3ccc(C)c(C)c3)c3ccccc23)n1 8594555 INYZQGDCFRHZFZ-UHFFFAOYSA-N 343.434 4.793 0 40 EJAB O=C(c1ccccc1)N(C(=O)N1CCCCC1)c1cccc(Cl)c1 9317770 KZKWEMJEDGQMFE-UHFFFAOYSA-N 342.826 4.593 0 40 EJAB O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)Nc1cccc(N2Cc3ccccc3C2)c1 12360058 PZOOPWGNIRNKHL-SQGPQFPESA-N 346.474 4.972 0 40 EJAB COc1ccc2cc([C@H](C)C(=O)N(C)Cc3ccccc3)ccc2c1 12773328 DZSKFGVLBATSQO-INIZCTEOSA-N 333.431 4.611 0 40 EJAB CC1(C)c2ccccc2-c2nc3ccccc3cc2[C@@H]1N1CCOCC1 13208965 OBPAOOYHSBQACT-QFIPXVFZSA-N 344.458 4.566 0 40 EJAB COc1ccc([C@H]2CCCN2[C@@H](C)C(=O)c2c[nH]c3ccccc23)cc1 15452709 PBWZGCKMUODASB-YCRPNKLZSA-N 348.446 4.585 0 40 EJAB O=[S@@](c1ccccc1)c1c(Cl)c(Cl)nc(Cl)c1Cl 16956205 FJERMPQCYPUHAT-GOSISDBHSA-N 341.046 4.862 0 40 EJAB Cc1sc2nc(-c3ccccc3)[nH]c(=O)c2c1-c1ccc(F)cc1 20345959 GRISHNOYNKOMNY-UHFFFAOYSA-N 336.391 4.766 0 40 EJAB CCc1cccc(C)c1NC(=O)[C@@H](C)Sc1ccc(OC)cc1 25368316 YJFWDOQCSTZGJC-CQSZACIVSA-N 329.465 4.685 0 40 EJAB Cc1cccc(-c2noc(CSc3nccn3-c3ccccc3)n2)c1 32331845 CKWBPVKRGLHNNH-UHFFFAOYSA-N 348.431 4.523 0 40 EJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCSC(C)(C)C 44946440 AUVIJRYTMNDEFV-GOSISDBHSA-N 345.508 4.645 0 40 EJAB CC(C)Oc1ccc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1 44949909 NRYJFVOUIKXQKC-ZDUSSCGKSA-N 333.815 4.533 0 40 EJAB COc1ccc(OC)c2c1[C@@H]1CC[C@H]2C12C(C)(C)C2(Cl)Cl 45071225 HUWONRPQALIUBQ-BDTYORIJSA-N 327.251 4.879 0 40 EJAB Cc1cccc(-c2noc(-c3ccc(NC(=O)C(C)(C)C)cc3)n2)c1 46018709 PAZXRPRUKVXXDK-UHFFFAOYSA-N 335.407 4.697 0 40 EJAB CC(C)c1nc(CN(Cc2cccs2)C[C@@H]2CCCO2)cs1 46054327 YFFYVBCGIIILDZ-HNNXBMFYSA-N 336.526 4.509 0 40 EJAB C[C@@H](CCc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1 67192544 FGOGJATTXCXWEC-ZDUSSCGKSA-N 326.827 4.572 0 40 EJAB CSc1nn(-c2ccccc2)c2ncnc(Nc3cccc(C)c3)c12 68755724 BGKZOVRVVSLNSY-UHFFFAOYSA-N 347.447 4.589 0 40 EJAB CCN(CC)[C@H](CNC(=O)Nc1ccccc1C(C)(C)C)CC(C)C 71900965 NXOQXGQHCFTKCJ-KRWDZBQOSA-N 347.547 4.862 0 40 EJAB Cc1cc(Nc2ccccc2C(=O)O)c2ccc(Cl)c(C)c2n1 78401665 DXGDPRPWHATINV-UHFFFAOYSA-N 326.783 4.947 0 40 EJAB Cc1cc(NC[C@@H](c2ccco2)N2CCCCC2)c2ccccc2n1 89583126 MPROOBHSBJVVIX-FQEVSTJZSA-N 335.451 4.775 0 40 EJAB Fc1cc(Br)ccc1-n1c(Cl)nc2ccccc21 95915734 GREDBPDCKJHJNQ-UHFFFAOYSA-N 325.568 4.581 0 40 EJAB FC(F)(F)C(F)(F)SCCCNCc1cccc(Cl)c1 95918358 LPGDXXNTPJMKBI-UHFFFAOYSA-N 333.753 4.708 0 40 EJAB C[C@H](NC(=S)Nc1ccccc1C(F)(F)F)[C@@H]1C[C@@H]2CC[C@@H]1C2 100584426 LEQQCEPSIRJURM-LOWDOPEQSA-N 342.430 4.817 0 40 EJAB COc1ccc([C@@H](C)NC(=O)c2ccccc2SC(C)C)cc1 113958898 GFNPUZFMKUSLBY-CQSZACIVSA-N 329.465 4.687 0 40 EJAB Cc1ccc(NC(=O)N(Cc2cccs2)C2CCOCC2)cc1C 207962429 PAGYFEROPYRWLK-UHFFFAOYSA-N 344.480 4.578 0 40 EJAB CCc1ccc(CC)c(CNC(=O)[C@@H](CC)Oc2cccc(C)c2)c1 225712073 CYKAUGUKZYPKDX-OAQYLSRUSA-N 339.479 4.594 0 40 EJAB Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccco2)cc1 239296799 DJGIUXRWXUKZFI-RXVVDRJESA-N 330.387 4.830 0 40 EJAB O=C(c1cccc2ccccc12)N1CCc2[nH]c3ccc(F)cc3c2C1 135227 WSZUGTWOLPBDQI-UHFFFAOYSA-N 344.389 4.659 0 40 EJAB O=C(Nc1ccc(Cl)cc1Cl)c1cccc(OC(F)F)c1 375170 QAWWAFGQSUXHSF-UHFFFAOYSA-N 332.133 4.847 0 40 EJAB O=c1c2cc(Cl)ccc2nc2scc(-c3ccc(Cl)cc3)n12 384839 RLBVXJQXYYINAT-UHFFFAOYSA-N 347.226 4.883 0 40 EJAB COc1nc(-c2ccc(Cl)cc2)ccc1-c1noc(C(C)C)n1 498690 NQFABXBQUCDJHY-UHFFFAOYSA-N 329.787 4.584 0 40 EJAB Cc1cccn2cc(-c3cccc(NC(=O)c4ccccc4)c3)nc12 553042 FGTJOSSOEODSEI-UHFFFAOYSA-N 327.387 4.562 0 40 EJAB Cc1ccc(C)c(-c2csc(NC(=O)c3ccc(F)c(F)c3)n2)c1 1514262 LGZSCLMNXOGJGW-UHFFFAOYSA-N 344.386 4.957 0 40 EJAB CCn1c(SCc2ccc(Cl)cc2)nnc1-c1cccs1 2548727 JEHLAFOWMREKAJ-UHFFFAOYSA-N 335.885 4.972 0 40 EJAB CC(C)(C)c1ccc(C(=O)OCC(=O)c2ccc(Cl)s2)cc1 3304078 PBIIQLSKKYUJFX-UHFFFAOYSA-N 336.840 4.739 0 40 EJAB Cc1csc(S[C@H](C)C(=O)Nc2ccc3ccccc3c2)n1 3307585 RBDXNMIXKFQHGE-GFCCVEGCSA-N 328.462 4.724 0 40 EJAB CCOc1ccc(-c2nc(-c3cc(C)n(C)c3C)cs2)cc1OC 3326877 QWXCJYIPIYXDOI-UHFFFAOYSA-N 342.464 4.840 0 40 EJAB c1ccc(CSc2nnc(-c3ccccn3)n2-c2ccccc2)cc1 3364518 QHHBTSZEBIZEGQ-UHFFFAOYSA-N 344.443 4.622 0 40 EJAB O=C(CNc1ccc(F)c(Cl)c1)Nc1cccc2ccccc12 3398447 UQOLSDAHLDGLQJ-UHFFFAOYSA-N 328.774 4.683 0 40 EJAB C=C/C=C(C(\C)=C/C)/N(C(=O)NC1CCCCC1)C1=NCCCS1 4966997 QMCFTBRUJNDUCR-LUYDOLICSA-N 347.528 4.860 0 40 EJAB C[C@@H]1CCC[C@H](NC(=O)/C=C/c2cccc(C(F)(F)F)c2)[C@@H]1C 5518789 NTERBJWYCRVGDG-KGGMLFIQSA-N 325.374 4.660 0 40 EJAB COc1ccc(NC(=O)CSCc2ccc(C)cc2)cc1Cl 6303136 VPWPALQMQDPPQP-UHFFFAOYSA-N 335.856 4.529 0 40 EJAB Cc1nc(SC[C@H]2CC2(Cl)Cl)c2c(C)c(C)sc2n1 7090066 SVOWENVICNOPES-SECBINFHSA-N 333.309 4.902 0 40 EJAB Cc1nc(-c2ccc(NC(=O)Cc3c[nH]c4ccccc34)cc2)cs1 7437723 QZCBDEPZCPOMKE-UHFFFAOYSA-N 347.443 4.781 0 40 EJAB Cc1ccc(SCCNC(=S)Nc2ccc(Cl)cc2)cc1 7926712 UPOUHBKILSWOFQ-UHFFFAOYSA-N 336.913 4.727 0 40 EJAB O=C(Cc1ccc(-c2ccccc2)cc1)OCc1nc2ccccc2o1 8450023 HJSLQADLCVXVND-UHFFFAOYSA-N 343.382 4.781 0 40 EJAB CCCOc1ccc2nc(C)c(CN(CCC)CCC)c(O)c2c1 8717129 BEANSKRSXAHDCQ-UHFFFAOYSA-N 330.472 4.660 0 40 EJAB Cc1sc(NC(=O)CC(C)C)nc1-c1ccc(OC(F)F)cc1 10955260 YOEALBBCJJMELN-UHFFFAOYSA-N 340.395 4.705 0 40 EJAB CCCSc1ncc(CNC2(c3ccccc3F)CCCC2)cn1 12344490 QKEDQXOKJOYODN-UHFFFAOYSA-N 345.487 4.677 0 40 EJAB C[C@H](NC(=O)[C@H](C)N(C)Cc1ccc2ccccc2c1)c1ccccc1 12767394 YZPQRRYNVAHOEH-ROUUACIJSA-N 346.474 4.538 0 40 EJAB O=C(Nc1cccc2cn[nH]c12)c1ccc(Oc2ccccc2)cc1 12783221 KEWATUGESAXWPZ-UHFFFAOYSA-N 329.359 4.608 0 40 EJAB C[C@@H](NC(=O)COc1ccccc1)c1ccc(-c2ccccc2)cc1 14388907 QCMDZXVTOIETHV-QGZVFWFLSA-N 331.415 4.610 0 40 EJAB CC(C)c1ccccc1O[C@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 20048561 VYAKBGHKQDNIST-NOCBQHASSA-N 341.495 4.662 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1 20493337 IHQWROWYYSPYMB-SJORKVTESA-N 325.452 4.763 0 40 EJAB Cc1c(Cl)cccc1Nc1nc(-c2ccc(O)cc2O)cs1 24950066 LISJJWBEOUPBBR-UHFFFAOYSA-N 332.812 4.927 0 40 EJAB COc1ccc([C@@H]2CCCN2[C@H](C)C(=O)c2c[nH]c3ccccc23)cc1 36408775 PBWZGCKMUODASB-VFNWGFHPSA-N 348.446 4.585 0 40 EJAB CC[C@@H](NC(=O)COc1cc(C)ccc1C(C)C)c1ccccc1 36562621 PGOPYFUDFLXJKT-LJQANCHMSA-N 325.452 4.765 0 40 EJAB Cc1ccc(-c2cc(C(F)(F)F)nc(NCc3ccco3)n2)s1 36613444 UHORGNNLASIECF-UHFFFAOYSA-N 339.342 4.737 0 40 EJAB Fc1ccc(C[C@@H]2CCCN2Cc2coc(-c3cccs3)n2)cc1 48309186 ODFVIDSXLFGYLT-KRWDZBQOSA-N 342.439 4.749 0 40 EJAB CC(C)c1ccc2nc(Cc3cccc4ccccc34)[nH]c(=O)c2c1 60797343 DPXXKSPHGSVEIY-UHFFFAOYSA-N 328.415 4.791 0 40 EJAB Cc1ccc(C)c(OCC(=O)Nc2ccc(OC3CCCC3)cc2)c1 218951111 RHDQZZQKSORQIP-UHFFFAOYSA-N 339.435 4.642 0 40 EJAB Cc1cccc2c1N(C(=O)C(C)(C)Br)C(C)(C)C[C@@H]2C 223238287 MQOZAWDIOSOOAY-LBPRGKRZSA-N 338.289 4.787 0 40 EJAB CCc1ccc([C@@H](C)NC(=O)[C@H](C)Sc2ccc(C)cc2)cc1 224239306 IUIWCRKYPLGMHH-CVEARBPZSA-N 327.493 4.915 0 40 EJAB COCc1cccc(NC(=O)[C@H](C)Cc2cccc3ccccc23)c1 224943189 IQAQLRIQZIJCIS-MRXNPFEDSA-N 333.431 4.804 0 40 EJAB CCOc1ccc(NC(=S)N[C@@H](CC)c2ccccc2C)cc1 225756534 OHNJZRYJWZBPFW-SFHVURJKSA-N 328.481 4.831 0 40 EJAB COC1(C(=O)Nc2ccc(OCC(C)C)c3ccccc23)CCCC1 225804805 MEZAYYGOLAQMMJ-UHFFFAOYSA-N 341.451 4.772 0 40 EJAB O=C(NCc1cc(-c2ccco2)cs1)c1nc2ccccc2s1 1775969013 SFGRDDIQKPCROG-UHFFFAOYSA-N 340.429 4.548 0 40 EJAB O=C(Oc1ccccc1Br)c1ccc(Cl)cc1Cl 259073 OXZGMGUWAJCKLN-UHFFFAOYSA-N 346.007 4.975 0 40 EJAB Cc1ccc(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)cc1 342180 GURWOHMEDNDLDJ-UHFFFAOYSA-N 344.625 4.973 0 40 EJAB O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1ccccc1 362464 XIOYHZPQIMEZAG-UHFFFAOYSA-N 330.598 4.664 0 40 EJAB CCN(CC)c1ccc(NC(=O)[C@@H](C)Oc2ccccc2C)c(C)c1 364685 INKQONCZDPHRSC-QGZVFWFLSA-N 340.467 4.556 0 40 EJAB O=C1C(Nc2ccccc2F)=C2CCCC=C2N1c1ccccc1F 1424269 UFULLZLENPNZKP-UHFFFAOYSA-N 338.357 4.745 0 40 EJAB Clc1ccc(-c2csc(N3CCSCC3)n2)c(Cl)c1 4091638 USAXLAWSTFSXAW-UHFFFAOYSA-N 331.293 4.670 0 40 EJAB O=C(Nc1cccnc1)c1cc2cc(Oc3ccccc3)ccc2[nH]1 4561185 XMWLPWFOSSHQDY-UHFFFAOYSA-N 329.359 4.608 0 40 EJAB C[C@H](CCc1ccccc1)NC(=O)/C=C/c1cccc(C(F)(F)F)c1 5517456 KFAYYNOPWQSBSJ-RDRICISKSA-N 347.380 4.856 0 40 EJAB Cc1oc(-c2ccccc2)nc1C(=O)OCc1ccc(Cl)cc1 5538649 AHGCGAXLYMTJNF-UHFFFAOYSA-N 327.767 4.660 0 40 EJAB O=C(NC1CCCCC1)[C@@H](Sc1ccccc1)c1ccccc1 5947603 YTQCWMKGQWBLIX-IBGZPJMESA-N 325.477 4.969 0 40 EJAB CCOc1cccc(C(=O)Nc2cccc(Cl)c2N2CCCC2)c1 6026693 HDQMNQXPJIQUOI-UHFFFAOYSA-N 344.842 4.591 0 40 EJAB O=c1c2ccccc2nc(/C=C/c2ccsc2)n1-c1ccc(F)cc1 6507712 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CCc1cccc(CC)c1NC(=O)[C@@H](C)Oc1cccc(C)c1C 20459811 LZTJEHURNJOKRX-MRXNPFEDSA-N 325.452 4.834 0 40 EJAB CC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)C=C(C)[C@]4(C)[C@@H]3CC[C@]12C 21992637 PGAUJQOPTMSERF-RXTIWMTQSA-N 344.495 4.696 0 40 EJAB CCCC(=O)Nc1ccc(OCc2ccccc2Cl)c(C(C)=O)c1 23985896 LBFDDFJSEPLRSP-UHFFFAOYSA-N 345.826 4.860 0 40 EJAB Cc1cc(C)c2oc(C(=O)Nc3ccc4ccccc4c3)cc(=O)c2c1 27740514 BMNXJKRUEUUWAJ-UHFFFAOYSA-N 343.382 4.815 0 40 EJAB c1ccc(Cc2nc(CSc3ncc4ccccn34)cs2)cc1 31651934 BXNYIXMIXOYBBA-UHFFFAOYSA-N 337.473 4.674 0 40 EJAB Cc1ccc(NC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)c2cccnc12 40134982 AZWYLXHPKXZVNQ-UHFFFAOYSA-N 348.450 4.624 0 40 EJAB CSc1cccc(NC(=O)Cn2ccc3c(Cl)cccc32)c1 40283689 OEOWHCIGJYSBFS-UHFFFAOYSA-N 330.840 4.655 0 40 EJAB CC(=O)Nc1ccccc1OCc1ncc(-c2cccc(Cl)c2)o1 50510532 KNCOHJILPUFHOC-UHFFFAOYSA-N 342.782 4.532 0 40 EJAB Cc1ccc(CN(C)Cc2ccc(OCc3ccccn3)cc2)c(C)c1 58130330 XKEIKAZBXVSERC-UHFFFAOYSA-N 346.474 4.909 0 40 EJAB 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343.854 4.610 0 40 EJAB CC[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2)c1ccccc1 225544195 XJBCLOXJODHPDD-KKSFZXQISA-N 337.463 4.600 0 40 EJAB CCOc1ccccc1NC(=S)N[C@@H](CC)c1ccccc1C 225756476 RJZSKCRJKBIJSH-INIZCTEOSA-N 328.481 4.831 0 40 EJAB O=C(Cc1ccccc1Cl)NCc1nc(C2CCCCC2)cs1 390829824 GVVKBPDMLIJLNE-UHFFFAOYSA-N 348.899 4.703 0 40 EJAB c1ccc(COc2ccc(Nc3ccnc4ccncc34)cc2)cc1 643551161 YYTGIWVMFIOOPT-UHFFFAOYSA-N 327.387 4.952 0 40 EJAB Cc1cc(F)ccc1CNc1ccc(-c2cn3c(n2)CCCC3)cc1 1656840032 JHDYAOWEZNTYJI-UHFFFAOYSA-N 335.426 4.946 0 40 EJAB Cc1c(OC(=O)C(C)(C)C)ccc2c(-c3ccccc3)cc(=O)oc12 149785 NEQYQRADCPIRIW-UHFFFAOYSA-N 336.387 4.720 0 40 EJAB Cc1cccc2nc(-c3ccc(Cl)cc3)c(NC[C@@H]3CCCO3)n12 417398 WGHJJQQBBMPQOW-INIZCTEOSA-N 341.842 4.554 0 40 EJAB Cc1ccc(C2=NN(C(=O)c3ccccc3F)[C@H](c3ccco3)C2)cc1 548024 VDWLMUUXYMTKKW-IBGZPJMESA-N 348.377 4.719 0 40 EJAB COc1c(Cl)cc(C(=O)Nc2cccc3cccnc23)cc1Cl 556395 FXMSMTAVOHFJKT-UHFFFAOYSA-N 347.201 4.803 0 40 EJAB CC[C@@H](C)N(CCCNc1cc(OC)cc2cccnc12)CC(C)C 1687283 WHPDJWYEVDVBJH-QGZVFWFLSA-N 343.515 4.802 0 40 EJAB CC(C)Cc1ccc(/C=C/C(=O)Nc2ccc(F)c(F)c2F)cc1 2383624 GRMIGNNNPIGKRS-JXMROGBWSA-N 333.353 4.954 0 40 EJAB O=C(/C=C/c1ccccc1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 3188327 YKMBJRLRBSEQNX-XNTDXEJSSA-N 339.398 4.882 0 40 EJAB CC(C)c1ccc(S(=O)(=O)Nc2ccc3ccccc3c2)cc1 5601919 NOXTWQYPAXWKHY-UHFFFAOYSA-N 325.433 4.764 0 40 EJAB CC(C)NC(=S)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 5636850 UNPGNCDBEKKKOM-UHFFFAOYSA-N 328.525 4.849 0 40 EJAB CC[C@@H](Oc1ccccc1)C(=O)N[C@@H](C)c1ccc2ccccc2c1 6852177 JNIZUJSBFOWAEK-HRAATJIYSA-N 333.431 4.875 0 40 EJAB C[C@@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1ccc(Cl)cc1Cl 7242259 MAVZNLYDTPWIQW-LLVKDONJSA-N 349.261 4.921 0 40 EJAB CCCCc1ccc2nc(NC(=O)Cc3csc(C)n3)sc2c1 7996359 HYBVGVOUWWNOJY-UHFFFAOYSA-N 345.493 4.585 0 40 EJAB COC(=O)c1c(C)[nH]c(-c2nc(-c3ccsc3)sc2C)c1C 8102710 JETLLQFJIGPNMB-UHFFFAOYSA-N 332.450 4.579 0 40 EJAB O=C(NCCCc1ccccc1)/C(=C/c1ccccc1)c1ccccc1 10110177 FBSQMHQREANOOU-FCDQGJHFSA-N 341.454 4.976 0 40 EJAB Clc1ccccc1CN1COc2c(cc(Cl)c3cccnc23)C1 13207929 YQUDGSHPAMOICU-UHFFFAOYSA-N 345.229 4.894 0 40 EJAB CCc1ccc(NC(=S)Nc2ccc(OC(F)(F)F)cc2)cc1 13937631 UOSBDHDYPJOAHC-UHFFFAOYSA-N 340.370 4.957 0 40 EJAB Cc1cccc(Nc2ncnc3c2cnn3-c2cccc(Cl)c2)c1 17135450 UMHKMDULSOVWFA-UHFFFAOYSA-N 335.798 4.521 0 40 EJAB CN(CC(=O)Nc1cccc2ccccc12)Cc1ccc(Cl)s1 18939118 DNMDNTGLUUENMZ-UHFFFAOYSA-N 344.867 4.625 0 40 EJAB CN(C)[C@H](CNCc1ccc(-c2ccccc2F)o1)c1cccs1 22925117 YLRYMFGLIASKLR-QGZVFWFLSA-N 344.455 4.540 0 40 EJAB CCOc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1OC 26895419 QOTXUFMXMANROG-UHFFFAOYSA-N 339.435 4.544 0 40 EJAB Clc1ccc(-c2c[n+](-c3ccccc3)c3n2CCS3)c(Cl)c1 27788639 YFAPSLCNEOQRJD-UHFFFAOYSA-N 348.278 4.844 0 40 EJAB CCCCc1ccc(NC(=O)CSc2ccc(OC)cc2)cc1 30863980 VMXSVKUVOAYUQV-UHFFFAOYSA-N 329.465 4.769 0 40 EJAB O=C(OC/C=C/c1ccccc1)c1cccnc1Oc1ccccc1 32666190 HELGVSMUXXJIOB-DHZHZOJOSA-N 331.371 4.744 0 40 EJAB COc1ccc([C@@H]2CCCN2C(=O)Nc2cccc3cnccc23)cc1 43162299 ALQKGPZJVHVPEQ-FQEVSTJZSA-N 347.418 4.612 0 40 EJAB O=C(Nc1cc(F)cc(F)c1)c1cc(-c2cccc3ccccc23)[nH]n1 44838132 ZEMBLHNELWTCNL-UHFFFAOYSA-N 349.340 4.760 0 40 EJAB C[C@@H]1CCC[C@H](NC(=O)CSCc2cccc(Cl)c2)[C@@H]1C 58051316 DAUGJXSEMDJQKK-IOASZLSFSA-N 325.905 4.514 0 40 EJAB Cc1ccc(C(=O)[C@@H](Sc2cnccn2)c2ccc(C)cc2)cc1 72298276 IYJMEZALYPUXBW-FQEVSTJZSA-N 334.444 4.810 0 40 EJAB COc1ccc(C2(C(=O)N[C@@H](C)c3ccccc3)CCCCC2)cc1 84656525 CBXYBQUBQULXAM-KRWDZBQOSA-N 337.463 4.775 0 40 EJAB Fc1ccc([C@@H](NCc2cn3ccsc3n2)C2CCCC2)cc1 91309025 IMRBMTBCKLRNGE-KRWDZBQOSA-N 329.444 4.556 0 40 EJAB CCc1ccccc1O[C@@H](C)C(=O)N[C@@H](C)c1ccc(C)c(C)c1 219295605 TWYHWBRWDSJFBI-IRXDYDNUSA-N 325.452 4.511 0 40 EJAB CC[C@H](NC(=O)COc1ccccc1C(C)(C)C)c1ccc(C)cc1 222799511 BCLMKDQSJIIGQV-IBGZPJMESA-N 339.479 4.939 0 40 EJAB C[C@H](CC(C)(C)c1ccccc1)NC(=O)CCc1ccc(F)cc1 223197562 SCAOVGYGIAWCAM-MRXNPFEDSA-N 327.443 4.631 0 40 EJAB CC(=O)Oc1cc2ccccc2cc1C(=O)Nc1ccc(C)cc1C 156942 FMPROMIJBCXFNJ-UHFFFAOYSA-N 333.387 4.634 0 40 EJAB in-vitro CCCc1cc(=O)oc2c(C)c(OCc3ccccc3OC)ccc12 526666 FINGTJVXHRUOPY-UHFFFAOYSA-N 338.403 4.642 0 40 EJAB biogenic Cc1ccc(NC(=O)c2cccs2)c(NC(=O)c2cccs2)c1 2760167 WTHRYCISWAAMAY-UHFFFAOYSA-N 342.445 4.623 0 40 EJAB COc1ccc(Cl)cc1C(=O)Nc1nc(-c2ccc(C)o2)cs1 3347553 CPVJJWAEYZFYTD-UHFFFAOYSA-N 348.811 4.626 0 40 EJAB C[C@H](C(=O)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 4024650 NPBNRBWMDNZEBN-ZLWIHRGSSA-N 346.511 4.647 0 40 EJAB biogenic,in-vitro Cc1cccc(NC(=O)c2nnn(-c3ccc(C(C)C)cc3)c2C)c1C 4484192 PFQGWYQRIXHVAQ-UHFFFAOYSA-N 348.450 4.568 0 40 EJAB CSc1ccccc1C(=O)Nc1nc2cc(C)c(C)cc2s1 4586155 UAKLLQNZBRTMHD-UHFFFAOYSA-N 328.462 4.887 0 40 EJAB Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1Cc1ccco1 4696044 NXWDKONGXXUYJF-OAQYLSRUSA-N 342.398 4.815 0 40 EJAB Cc1ccc(Nc2nc(Cl)nc(Nc3ccccc3)n2)c(C)c1 6275882 ZZRLHYMAVDDURA-UHFFFAOYSA-N 325.803 4.629 0 40 EJAB O=C(Nc1nc(-c2ccccn2)cs1)c1ccc2ccccc2c1 6347177 SFRHERIRVXDZJG-UHFFFAOYSA-N 331.400 4.611 0 40 EJAB O=C(CSc1ccccc1F)Nc1ccc(N2CCCCC2)cc1 6509990 HCJKMZDJZKOHQT-UHFFFAOYSA-N 344.455 4.547 0 40 EJAB O=C(NCCCc1ccccc1)c1ccccc1Oc1ccccc1 6639032 SNJVRKKTKHJOIZ-UHFFFAOYSA-N 331.415 4.842 0 40 EJAB c1ccc2sc([C@@H]3CCCCN3Cc3cn4ccccc4n3)nc2c1 7001140 VINIPNOHZJVDDM-KRWDZBQOSA-N 348.475 4.671 0 40 EJAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2ccccc2Cl)c1C 7457631 LAQDBRPHQVSMFK-LBPRGKRZSA-N 335.856 4.851 0 40 EJAB Cc1cc2nc(-c3cccc(NC(=O)C(F)(F)F)c3)oc2cc1C 8053981 QYWQICGDBNMORS-UHFFFAOYSA-N 334.297 4.612 0 40 EJAB CC[C@H](C)c1ccc([C@@H](NC(=O)NCc2ccccn2)C(C)C)cc1 9794764 WSKGJHIHQFFYOU-JXFKEZNVSA-N 339.483 4.792 0 40 EJAB CCCCOc1ccc(NC(=O)CSCc2ccccc2)cc1 12346256 UAWRLEDSHIWFHP-UHFFFAOYSA-N 329.465 4.737 0 40 EJAB COc1ccc(NC(=O)[C@@H](C)N[C@H](C)c2ccc3ccccc3c2)cc1 12754297 LSMFEVRVLVSGJC-HZPDHXFCSA-N 348.446 4.526 0 40 EJAB O=C(Nc1nc2c(s1)CCCCC2)c1cccc(Cl)c1Cl 12828471 NCYQUPRYBPFGHO-UHFFFAOYSA-N 341.263 4.971 0 40 EJAB CC1CCN(C(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)CC1 14084663 NKIOCDJCPJKSKD-UHFFFAOYSA-N 348.421 4.913 0 40 EJAB Cc1ccc(C(C)C)c(OCC(=O)N[C@H](C)c2ccccc2C)c1 14425586 YYMRYRYJYGRNPF-QGZVFWFLSA-N 325.452 4.683 0 40 EJAB COc1ccccc1[C@@H](C)NC(=O)CCSc1ccc(Cl)cc1 15471248 PNEAVWVKWJSLBF-CYBMUJFWSA-N 349.883 4.708 0 40 EJAB Cc1ccc(/C=C2\C(=O)Nc3ccc(Br)cc32)cc1C 17154769 ZIENANAHVUJCCY-NVNXTCNLSA-N 328.209 4.559 0 40 EJAB C[C@H](NC(=O)c1ccc(OCc2ccccc2)cc1)c1cccs1 17701907 AGSJWCNUABFKST-HNNXBMFYSA-N 337.444 4.818 0 40 EJAB Cc1cc(-c2csc(NC(=O)/C=C/c3ccco3)n2)c(C)s1 20014873 OKOJHFGQDVJBBP-AATRIKPKSA-N 330.434 4.733 0 40 EJAB Cc1ccc(C(=O)Nc2ccc(-c3ccc(CO)o3)cc2)cc1Cl 20139373 PCFAHQZINUFKQH-UHFFFAOYSA-N 341.794 4.653 0 40 EJAB Cc1cc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)cc(C)c1Cl 20483318 SQJNGJUPLBQPSX-KBPBESRZSA-N 349.833 4.741 0 40 EJAB C#Cc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1 34468432 JXMWREDYBWLMNY-UHFFFAOYSA-N 333.394 4.854 0 40 EJAB C=Cc1cc(-n2nc3ccc(Cl)cc3n2)c(O)c(C(C)(C)C)c1 34744288 UNWOQCDCGCSPSN-UHFFFAOYSA-N 327.815 4.720 0 40 EJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCc2ccccc21 38756894 ZZXUBXGIZKNRJB-QGZVFWFLSA-N 331.868 4.800 0 40 EJAB COc1ccc2oc(C)c(C(=O)Nc3cccc(Cl)c3C)c2c1 41156522 KYPDZYGLGHBYHS-UHFFFAOYSA-N 329.783 4.964 0 40 EJAB Cc1c(Cl)cccc1NC(=O)c1cc(-c2cccc(Cl)c2)[nH]n1 57412654 FYNTUVVVWIGQFL-UHFFFAOYSA-N 346.217 4.944 0 40 EJAB Cc1cccnc1NC(=O)c1ccc(CSc2ccccc2)cc1 57561644 OUDWZNJSWCAVAX-UHFFFAOYSA-N 334.444 4.935 0 40 EJAB COc1ccc(CN[C@@H](c2ccccc2)c2ccc(C)cc2)cc1O 58023011 FLGZSBJZNJHYCM-QFIPXVFZSA-N 333.431 4.588 0 40 EJAB Cc1ccc(-c2nc(C)c([C@H](C)N[C@H](C)c3nnc(C)o3)s2)cc1 71902710 GCUOZFAYSHLNHA-WCQYABFASA-N 342.468 4.530 0 40 EJAB Cc1cc(N2CCCc3ccccc32)ncc1[C@@H](O)c1ccccc1 72223921 ZPEWVWLHWSAJDA-QFIPXVFZSA-N 330.431 4.556 0 40 EJAB CCN(C(=O)Nc1ccc(OCC(F)(F)F)c(C)c1)C1CCCC1 75105248 AYZOEJIOWDDZAX-UHFFFAOYSA-N 344.377 4.733 0 40 EJAB CC(C)c1noc2ncc(-c3nnc(C(C)(C)c4ccccc4)o3)cc12 75136596 OCYIGPRRTPHQOK-UHFFFAOYSA-N 348.406 4.722 0 40 EJAB Fc1cccc(C2(CNCc3ccc4ccccc4c3)CCOCC2)c1 84605865 BAUAUAUKDIBZMX-UHFFFAOYSA-N 349.449 4.817 0 40 EJAB CC(C)[C@H]1CCCCN1C(=O)Nc1cccc(Oc2ccccn2)c1 97164727 WHNNBLSCDPSUES-GOSISDBHSA-N 339.439 4.916 0 40 EJAB O=C([C@@H]1C[C@H]2C=C[C@H]1C2)N1CCCC[C@H](c2ccc(Cl)cc2)C1 206880454 GARJKMUUBOKHAV-PCODUJHASA-N 329.871 4.648 0 40 EJAB CC(C)c1ccc(CCCNC(=O)COc2ccccc2Cl)cc1 218852366 FGUAVLZFOTUJST-UHFFFAOYSA-N 345.870 4.591 0 40 EJAB C[C@@H](CC(C)(C)c1ccccc1)NC(=O)Cc1ccccc1Cl 225439944 UXLWLFLXWWZZHH-HNNXBMFYSA-N 329.871 4.755 0 40 EJAB CC[C@H](c1ccc2c(Br)c(OC)ccc2c1)C(C)(C)N 225752188 QVRGKMKHUCZEBL-CQSZACIVSA-N 336.273 4.842 0 40 EJAB Cc1cccc(NC(=S)NCC2(c3ccc(F)cc3)CCCC2)c1 225809674 HQWBOGHNEFYYSY-UHFFFAOYSA-N 342.483 4.933 0 40 EJAB O=C(Nc1cccc(O)c1)c1ccc(-c2ccc(F)c(Cl)c2)o1 408625035 WOIDQEWRESRPLO-UHFFFAOYSA-N 331.730 4.697 0 40 EJAB CCCN1C(=O)/C(=C\c2ccc(OC)c(Cl)c2)c2ccccc21 409122276 XBHNKKRYEJEKHL-PTNGSMBKSA-N 327.811 4.646 0 40 EJAB Cc1nc(C)c(CNc2ccc(-c3cn4ccccc4n3)cc2)s1 1656125449 UPYXEQUEOCVUMW-UHFFFAOYSA-N 334.448 4.687 0 40 EJAB O=C(Nc1cccc2ccccc12)N1CCCC[C@@H]1c1cccnc1 519799 XKQCNVALTXDQFY-HXUWFJFHSA-N 331.419 4.994 0 40 EJAB biogenic c1ccc(-c2cc3c(ncn4c(-c5ccccc5)nnc34)s2)cc1 1006918 VKHVTFSQRIFFRJ-UHFFFAOYSA-N 328.400 4.673 0 40 EJAB CC[C@@H]1CCCCN1C(=O)c1cc(Br)c(C)c(C)c1C 1448387 MJDPIJBCDZQBDY-CQSZACIVSA-N 338.289 4.779 0 40 EJAB Cc1ccc(NC(=S)N2CCC[C@H](C(F)(F)F)C2)cc1Cl 3331097 MRERGKMBAODNCI-JTQLQIEISA-N 336.810 4.620 0 40 EJAB CSc1nc2ccc(NC(=O)c3ccc(C)c(C)c3)cc2s1 4075653 AUIRENYCMMSSFA-UHFFFAOYSA-N 328.462 4.887 0 40 EJAB Cc1ccc(C)c(CSc2nnc(-c3c[nH]c4ccccc34)n2C)c1 4138461 ZSNOFZNDQDYJPI-UHFFFAOYSA-N 348.475 4.873 0 40 EJAB O=c1ccc2cc3c(-c4ccc(Br)cc4)coc3cc2o1 4540397 OEQHAYMXMZPWPK-UHFFFAOYSA-N 341.160 4.969 0 40 EJAB biogenic C[C@H]1CCCC[C@H]1NC(=O)c1ncoc1-c1ccc2ccccc2c1 5002079 DQZCOJYXHSVPFF-KBXCAEBGSA-N 334.419 4.803 0 40 EJAB c1ccc(-c2nc3nn(-c4ccccc4)nc3nc2-c2ccccc2)cc1 6242384 YPJQQFRUEKLCNF-UHFFFAOYSA-N 349.397 4.545 0 40 EJAB COc1ccc(NC(=O)c2oc3c(Cl)cccc3c2C)cc1OC 6377779 RGDYUCXKJGEPQI-UHFFFAOYSA-N 345.782 4.664 0 40 EJAB CCCn1c(C)nnc1SCc1csc(-c2ccccc2C)n1 6400388 YGWXTURQVCWDMH-UHFFFAOYSA-N 344.509 4.721 0 40 EJAB CCc1cccc(CC)c1NC(=O)CSc1ccc(OC)cc1 7790000 AZXBDLTVXVDXFW-UHFFFAOYSA-N 329.465 4.551 0 40 EJAB Cc1cc(CSc2ccccc2C(=O)NC2CCCCCC2)no1 8312470 IIQXGWHUDDWMSU-UHFFFAOYSA-N 344.480 4.728 0 40 EJAB Cc1cccc(CS[C@@H](C)C(=O)NCc2ccccc2Cl)c1 9913142 YYIDVYZTBVEUNM-AWEZNQCLSA-N 333.884 4.587 0 40 EJAB CC(C)Sc1cccc(C(=O)Nc2nnc(-c3cccs3)o2)c1 10253311 VRZCDQNWHYCBJP-UHFFFAOYSA-N 345.449 4.551 0 40 EJAB O=C(c1ccco1)N1CCCCC[C@H]1c1cc(-c2cccs2)on1 12185234 XQPGBLHPODLIRW-AWEZNQCLSA-N 342.420 4.754 0 40 EJAB C[C@@H](CCc1ccccc1)NC(=O)N(C)Cc1ccc(Cl)cc1 13011635 KHJMDIIVDJJRLW-HNNXBMFYSA-N 330.859 4.503 0 40 EJAB CCc1ccc(CN(Cc2cccnc2)Cc2ccccc2OC)cc1 13569082 XXSKUCBIKXJFLB-UHFFFAOYSA-N 346.474 4.855 0 40 EJAB CC[C@@H](Oc1ccccc1C)C(=O)NCCCc1ccc(Cl)cc1 20454122 SJFRMLUOWBFVQD-GOSISDBHSA-N 345.870 4.555 0 40 EJAB CCc1ccccc1NC(=O)c1ccc(CN2CCC[C@@H](C)C2)cc1 22522732 FCWSAOBZWMBSIM-QGZVFWFLSA-N 336.479 4.733 0 40 EJAB O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1occc1-c1ccccc1 22699417 PBZBWNINRVSVGP-UHFFFAOYSA-N 343.285 4.520 0 40 EJAB O=C(c1ccccc1Cl)N1CCC[C@@H](c2nc3ccccc3o2)C1 27386530 ISFICYOBVGTXKJ-CYBMUJFWSA-N 340.810 4.501 0 40 EJAB Cc1cc(C)cc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)c1 38833561 CMKXJLNDTMBZNS-UHFFFAOYSA-N 336.479 4.788 0 40 EJAB Cc1ccc(-c2nn3c(N4CCC(C)CC4)cc(C)nc3c2C)cc1 40216923 GMFNMSWJVJHBEC-UHFFFAOYSA-N 334.467 4.558 0 40 EJAB Cc1ccc(OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 40852060 BFURBTMZEUCJGR-UHFFFAOYSA-N 343.732 4.685 0 40 EJAB CC[C@H](NC(=O)CSCc1ccccc1C)c1ccc(OC)cc1 44903915 URVMCEOQNQLNLZ-IBGZPJMESA-N 343.492 4.504 0 40 EJAB Cc1cc([C@@H]2CCCN2Cc2csc(-c3ccsc3)n2)on1 48249222 GSQSLKQVNIJITM-AWEZNQCLSA-N 331.466 4.505 0 40 EJAB CCC(C)(C)C(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1 71909317 LZBUJKNYRPUYJX-XMMPIXPASA-N 343.492 4.510 0 40 EJAB C[C@H](c1nc(-c2cccs2)no1)N1CCC(c2ccccc2)CC1 84667782 QMKMTWBDGYZBLX-CQSZACIVSA-N 339.464 4.739 0 40 EJAB Fc1ccc([C@H]2CCC[C@H]2NCc2ncc(-c3cccs3)o2)cc1 95941410 WDOMUAALMGFFED-HZPDHXFCSA-N 342.439 4.968 0 40 EJAB Cc1ccc(F)c(NC(=O)Nc2ccc(OC(F)(F)F)cc2)c1 96170871 ATBGGITYAXNBDV-UHFFFAOYSA-N 328.265 4.677 0 40 EJAB CC1(C)[C@H]2C=C(CCOC(=O)NC(=O)c3ccc(Cl)cc3)C[C@H]1C2 102196648 ACUJRDRFVKBRIY-GJZGRUSLSA-N 347.842 4.589 0 40 EJAB O=C(N[C@@H]1CCCc2ccccc21)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 102500951 QWFIXKWOJHXHFC-ZQPYIGSKSA-N 343.898 4.758 0 40 EJAB Cc1ccc2[nH]c(-c3ccc(C(=O)Nc4ccccc4F)cc3)nc2c1 225261520 FOOCCIWZGQCAJB-UHFFFAOYSA-N 345.377 4.930 0 40 EJAB CCCOC1(C(=O)Nc2ccc(OC(C)C)cc2)CCC(C)CC1 225667835 MONZXMUEGNOLBZ-UHFFFAOYSA-N 333.472 4.788 0 40 EJAB CC[C@H](C(=O)NCc1cc(-c2ccoc2)cs1)c1ccccc1 1775969905 REKMNKCOQQRDBJ-SFHVURJKSA-N 325.433 4.818 0 40 EJAB O=C(Nc1ccc(F)cc1F)c1cc(Br)ccc1Cl 514130 PWROXGHPJMKJCZ-UHFFFAOYSA-N 346.558 4.633 0 40 EJAB Cc1cc(C)c(OCC(=O)Nc2ccc(F)c(Cl)c2)c(Cl)c1 514203 VUOHOZSZGQWKBZ-UHFFFAOYSA-N 342.197 4.767 0 40 EJAB O=C(c1cccc(CN2CCCC2)c1)c1ccc(Cl)cc1Cl 2515085 WFLLLHAFLPJWHN-UHFFFAOYSA-N 334.246 4.820 0 40 EJAB O=C(c1cccc2ccccc12)N1CCC(Cc2ccccc2)CC1 3200117 GYQLKPHQFRIDEA-UHFFFAOYSA-N 329.443 4.935 0 40 EJAB Cc1ccc(C(=O)Nc2nc3ccc(Br)cc3s2)cc1 3204249 HNJNCJFXYMOKQF-UHFFFAOYSA-N 347.237 4.620 0 40 EJAB CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)c1nc2ccccc2[nH]1 5020175 BRILDIARISJTGK-KRWDZBQOSA-N 341.842 4.734 0 40 EJAB COc1ccc2nc(SCc3cc(-c4cccs4)on3)[nH]c2c1 7318535 FKSSYLJRKLAQOF-UHFFFAOYSA-N 343.433 4.580 0 40 EJAB CCc1cccc(C)c1NC(=O)c1ccc(F)cc1Br 8060488 RWHDLEKZHSHELM-UHFFFAOYSA-N 336.204 4.711 0 40 EJAB C[C@H](NC(=O)c1ccc(-c2ccccc2F)o1)c1ccc(F)cc1 8305378 AGGRIHMJQCLSOK-LBPRGKRZSA-N 327.330 4.716 0 40 EJAB Cc1nn(C)c(Nc2cccc(Cl)c2Cl)c1Br 8980329 POWQLAHGKKJMSQ-UHFFFAOYSA-N 335.032 4.541 0 40 EJAB Oc1ccc(-c2csc(-c3ccc(Br)cc3)n2)c(O)c1 14229043 BZFPKDMMDHGBQK-UHFFFAOYSA-N 348.221 4.651 0 40 EJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1cccc(OC(C)C)c1 20459153 TVANZMMRUAVORJ-IBGZPJMESA-N 341.451 4.887 0 40 EJAB Cc1ccc(Nc2nn(-c3ccc(F)cc3)c3c2C(=O)CCC3)cc1C 20672158 ZHNPEBNGOCTSOO-UHFFFAOYSA-N 349.409 4.891 0 40 EJAB C[C@H]1c2ccsc2CCN1C(=O)c1ccc(Cl)cc1Cl 30548939 SQLHVWQNMIBDKU-VIFPVBQESA-N 326.248 4.814 0 40 EJAB C[C@H](SCc1ccc(F)cc1Cl)C(=O)Nc1ccccc1F 32907786 WNXMAYKISWLWPC-JTQLQIEISA-N 341.810 4.879 0 40 EJAB C[C@@H]1CCCN(Cc2ccc(C(=O)Nc3ccccc3Cl)cc2)C1 38833791 HICJEOXRMIMZOQ-OAHLLOKOSA-N 342.870 4.824 0 40 EJAB COc1cc(Cl)c(C)cc1NC(=O)Nc1ccc(F)cc1F 51354106 MIXGLMXFMNTPFU-UHFFFAOYSA-N 326.730 4.579 0 40 EJAB CC[C@H](Oc1ccccc1F)C(=O)Nc1ccccc1C(F)(F)F 78700762 HAFQTWSNBNDQAZ-AWEZNQCLSA-N 341.304 4.641 0 40 EJAB Fc1ccc(-c2nc(Cn3nc(Cl)c4ccccc43)co2)cc1 95455653 RYSPTPWMGSUGDA-UHFFFAOYSA-N 327.746 4.532 0 40 EJAB C[C@H](NCC1(c2ccccc2)CCCC1)c1ccc([S@@](C)=O)cc1 95967223 DVLREDXKWJKQDJ-XDHUDOTRSA-N 341.520 4.587 0 40 EJAB C[C@@H](NC(=S)Nc1ccccc1C(F)(F)F)[C@H]1C[C@@H]2CC[C@@H]1C2 100584435 LEQQCEPSIRJURM-FDYHWXHSSA-N 342.430 4.817 0 40 EJAB N=C1C(c2nc(-c3ccccc3)cs2)=C(O)CN1Cc1ccccc1 102732580 ZLFFFRGXAFEWMA-UHFFFAOYSA-N 347.443 4.572 0 40 EJAB CC(=O)O[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CCC(=O)C[C@H]1C[C@H]3C 118915083 LLEADQQVTIBBHB-NNPKWWBWSA-N 346.511 4.776 0 40 EJAB CSc1ccccc1C(=O)N1CCCC[C@H](c2ccc(F)cc2)C1 211079971 ZPIODIDXAABFLQ-INIZCTEOSA-N 343.467 4.958 0 40 EJAB Cc1nc(-c2ccc(F)cc2)ncc1C(=O)Nc1ccc(C(C)C)cc1 222579817 VXLGFXISXPBQCL-UHFFFAOYSA-N 349.409 4.967 0 40 EJAB COC(=O)c1ccc(C)c(NC(=O)CCc2cccc3ccccc23)c1 222663885 IYQHJHQTBDDDLU-UHFFFAOYSA-N 347.414 4.506 0 40 EJAB CCCC[C@H](CC)CNC(=O)C1CCN(Cc2cccc(C)c2)CC1 224528546 ZAWPBJRSXOOYLB-IBGZPJMESA-N 344.543 4.540 0 40 EJAB Cc1ccc(C[C@H](Oc2ccccc2C(C)(C)C)C(=O)O)cc1C 225033705 XFXVCTHYDHMYAF-IBGZPJMESA-N 326.436 4.676 0 40 EJAB Cc1ccc(O[C@H](Cc2ccc(Cl)cc2Cl)C(=O)O)cc1C 225086311 OPFYURMURCAUHO-MRXNPFEDSA-N 339.218 4.685 0 40 EJAB CC(C)(C)OC(=O)N1CCc2ccc(NCC3CCCCC3)cc2C1 310659064 XFJVFARGZUQYBR-UHFFFAOYSA-N 344.499 4.972 0 40 EJAB C[C@H]1C[C@@H]1c1ccc(CCC(=O)NCc2ccc(-c3ccccc3)o2)o1 614967923 HIAWTFOFBLPZJI-KXBFYZLASA-N 349.430 4.912 0 40 EJAB COc1ccccc1/C=C/c1cc(OC)c2c(C)oc(C)c2c(=O)c1 525785 JGLPCKRDWKIKQK-MDZDMXLPSA-N 336.387 4.597 0 40 EJAB biogenic CSc1c(CC(=O)Nc2ccc(Cl)cc2)n(C)c2ccccc12 1022398 KLWKENBFWBIENF-UHFFFAOYSA-N 344.867 4.735 0 40 EJAB CCCC[C@@H](NC(C)=O)c1nc2ccccc2n1Cc1ccccc1C 1927006 CTDXJNAULXXMRZ-HXUWFJFHSA-N 349.478 4.760 0 40 EJAB Cc1ccc(-c2csc(NC(=O)Cc3c[nH]c4ccccc34)n2)cc1 2656655 IGPMBWAWPWHHKU-UHFFFAOYSA-N 347.443 4.781 0 40 EJAB Clc1ccc(Oc2ccccc2OCCN2CCCCC2)cc1 3610758 HTKDXOCKHAPJHT-UHFFFAOYSA-N 331.843 4.997 0 40 EJAB O=C(Nc1nc2c(s1)Cc1ccccc1-2)c1nc2ccccc2s1 4224063 BCYQBBSVKMDTKE-UHFFFAOYSA-N 349.440 4.576 0 40 EJAB Cc1ccc(-c2cc(C(=O)Nc3ccccc3)c3c(C)noc3n2)s1 9112334 CQWJTDDMLBVMCY-UHFFFAOYSA-N 349.415 4.820 0 40 EJAB CCCC[C@H]1OC[C@@]2(COC(=O)NC(C)C)[C@@H](C)C=C(C)[C@@H]1[C@H]2C 12657743 CTQMHZOSXPTAQT-VAVNGKDRSA-N 337.504 4.545 0 40 EJAB COc1ccc(C)cc1NC(=O)c1ccc(-c2ccccc2)nc1C 12971751 YUJDPDBZKJYZAC-UHFFFAOYSA-N 332.403 4.626 0 40 EJAB S=C(NCCc1ccc(Cl)c(Cl)c1)Nc1ccccc1 13577074 PLXYDXRDEHKXPQ-UHFFFAOYSA-N 325.264 4.523 0 40 EJAB CC1=C(C)[C@H](c2c(C)[nH]c3ccccc23)N(CCc2ccccc2)C1=O 13957624 DNAOFSADNQUWNV-JOCHJYFZSA-N 344.458 4.939 0 40 EJAB CCCOc1c(Cl)cc(C(=O)Nc2ccc(C)cc2)cc1OC 14426854 YIDJAQLHQTVMTF-UHFFFAOYSA-N 333.815 4.698 0 40 EJAB S=C(Nc1ccccc1Cl)Nc1ncc(Cl)cc1Cl 16450443 UYDNNTDZSJZZCU-UHFFFAOYSA-N 332.643 4.851 0 40 EJAB Cc1ccc(NC(=S)Nc2cccc(Br)c2)cc1F 16941978 BMMUIKOHMWJRJB-UHFFFAOYSA-N 339.233 4.706 0 40 EJAB Cc1ccc(Nc2ncnc3c2cnn3-c2cccc(Cl)c2)cc1C 17053008 URKPDVIWMLQMJL-UHFFFAOYSA-N 349.825 4.829 0 40 EJAB Cc1ccc(OCc2nnc(SCc3ccccc3)o2)cc1C 19927984 PLYWJFAECKWEPS-UHFFFAOYSA-N 326.421 4.558 0 40 EJAB COc1ccc(S[C@H](C)C(=O)N[C@H](C)c2cc(C)ccc2C)cc1 20046143 VAPAPJBGLYLJSW-HZPDHXFCSA-N 343.492 4.670 0 40 EJAB CSc1cccc(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)c1 20487183 WBQPYMZYPNEDOC-HNNXBMFYSA-N 329.465 4.740 0 40 EJAB Cc1cccc(C)c1Nc1ncccc1C(=O)Nc1cccc(F)c1 22072227 ZVQOAIKDRQAINS-UHFFFAOYSA-N 335.382 4.833 0 40 EJAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1cc(F)ccc1F 22588827 AWBWAHBMGLFCEK-UHFFFAOYSA-N 339.341 4.796 0 40 EJAB Cc1ccc2c(CN3CCC[C@@H]3c3cccs3)cc(=O)oc2c1 25423990 OEUBNDWFXOQMBG-MRXNPFEDSA-N 325.433 4.500 0 40 EJAB COc1ccccc1N(C(=O)Nc1cccc(Cl)c1)C1=NCCC1 27752098 AYCQGTVKHZRFIE-UHFFFAOYSA-N 343.814 4.579 0 40 EJAB Cc1ccc(Cn2cc(NC(=O)Nc3ccc(C)cc3C)cn2)cc1 27919999 OALWBHCCUQUWQE-UHFFFAOYSA-N 334.423 4.501 0 40 EJAB COc1cc2ccccc2cc1C(=O)NCCSC1CCCCC1 30858926 HUPCATZOYJKHDM-UHFFFAOYSA-N 343.492 4.644 0 40 EJAB C[C@@H](NC(=O)[C@@H]1CC1(Cl)Cl)c1ccc(-c2ccccc2)cc1 32978373 DFUGJOZIEKEUPY-WBMJQRKESA-N 334.246 4.725 0 40 EJAB CCOc1ccc(CCC(=O)Nc2cc(C)ccc2C)cc1OCC 38773052 BODATWHUAKZEJC-UHFFFAOYSA-N 341.451 4.672 0 40 EJAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)CCCc1cccs1 40159579 KPJUBDOJHNVKTR-UHFFFAOYSA-N 341.398 4.748 0 40 EJAB Cc1nc2ccccc2n1CCCNCc1ccc2ccccc2c1 60831491 TURVLSMSGBJBAI-UHFFFAOYSA-N 329.447 4.678 0 40 EJAB Cc1nc(-c2ccccc2)ccc1C(=O)N(C)[C@@H]1CCc2ccccc21 70039073 VZXLQQHHZSCRBF-JOCHJYFZSA-N 342.442 4.817 0 40 EJAB C[C@H](Nc1ccc(N2CCCCCC2)cc1)c1nc(C(C)(C)C)no1 73637284 LADLBQFBOQAKTC-HNNXBMFYSA-N 342.487 4.921 0 40 EJAB C[C@H](OC(=O)c1cccc2ncccc12)c1nc2ccccc2s1 95348589 RRDINGQAUVLICL-LBPRGKRZSA-N 334.400 4.763 0 40 EJAB COc1cc(C(=O)c2ccc(-c3ccccc3)cc2)cc(OC)c1OC 95916054 PMDCTFZUVLGFIW-UHFFFAOYSA-N 348.398 4.610 0 40 EJAB C[C@@H](N[C@H]1CCc2ccccc21)C(=O)Nc1cc(Cl)cc(Cl)c1 95946719 UOCLZCIQOCUTEB-DIFFPNOSSA-N 349.261 4.598 0 40 EJAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCC1=CCCCC1 223014153 GSVGHDPDUOUFIU-SFHVURJKSA-N 335.875 4.813 0 40 EJAB CC(C)C[C@@H](NC(=O)Cc1ccc(Cl)cc1F)c1ccccc1 224859909 IXLXIRWAQKTZLU-GOSISDBHSA-N 333.834 4.925 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)COc2cc(C)ccc2C(C)C)cc1 225665469 UQYZIAXMSWWRAP-QGZVFWFLSA-N 325.452 4.683 0 40 EJAB CCc1ccc([C@H](C)NC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)cc1 225768671 RIRHBWQJXYFSLJ-ROUUACIJSA-N 339.479 4.819 0 40 EJAB COc1ccc([C@H](CC(C)C)NC(=O)CCc2ccccc2F)cc1 225797265 CVCMSNJMDYSSRQ-FQEVSTJZSA-N 343.442 4.671 0 40 EJAB CC(C)c1ccc(NC(=S)NC2(c3ccccn3)CCCC2)cc1 225843576 ROCPXDOSCRYINZ-UHFFFAOYSA-N 339.508 4.961 0 40 EJAB CC(=O)N[C@@H]1C[C@H](c2ccc(Cl)cc2Cl)O[C@@H]2CCCC[C@@H]12 257260383 LCPVHAHYZIBTGZ-RKTXRCNFSA-N 342.266 4.518 0 40 EJAB O=C(Nc1ccc(Cl)cc1)[C@@H](NC1CCCCC1)c1ccccc1 408734133 KZYJAHUQFLMSAM-IBGZPJMESA-N 342.870 4.942 0 40 EJAB Cc1nc2c(sc3nc(-c4ccccc4)c4c(c32)CCCC4)c(=O)o1 507245 QTPDAYPSVUFGKP-UHFFFAOYSA-N 348.427 4.652 0 40 EJAB CCOc1ccccc1/C=C1\N=C(c2ccc3ccccc3c2)OC1=O 509200 YNMXAQHICWEBQT-RGEXLXHISA-N 343.382 4.583 0 40 EJAB Cc1ccc(/C=C/C(=O)Oc2ccc(Cl)cc2Br)o1 511593 PAQHDRRIOMHZOH-FNORWQNLSA-N 341.588 4.623 0 40 EJAB CC(C)Cn1c(-c2ccc(Cl)cc2)nc2nc3ccccc3nc21 534590 PMNGNXRFSAFQKS-UHFFFAOYSA-N 336.826 4.956 0 40 EJAB CNc1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)s1 3323309 LDUZUUCPFHFOCK-UHFFFAOYSA-N 326.421 4.536 0 40 EJAB COc1cccc(-c2noc(COc3ccc(C(C)(C)C)cc3)n2)c1 6810053 ULABSJRTMTXCCN-UHFFFAOYSA-N 338.407 4.622 0 40 EJAB aggregator COc1ccc(NC(=S)Nc2ccc(Cl)cc2)cc1Cl 6847115 HYFQPHKEYQRAIN-UHFFFAOYSA-N 327.236 4.811 0 40 EJAB Cc1nn2c(nc(NCc3ccc(F)cc3)c3ccccc32)c1Cl 7736630 HSXFHGUNGXCVTQ-UHFFFAOYSA-N 340.789 4.596 0 40 EJAB Cc1ccccc1C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 8104814 QBTUVRBLPUQDTA-HNNXBMFYSA-N 336.460 4.625 0 40 EJAB CCc1nc2ccccc2n1CC(=O)Nc1ccccc1[C@@H](C)CC 8719767 TYXJWQRBHLKTOG-HNNXBMFYSA-N 335.451 4.751 0 40 EJAB Cc1ccc(Cc2cnc(NC(=O)c3c(C)coc3C)s2)cc1 9763969 OQWQXPUBIPMIRW-UHFFFAOYSA-N 326.421 4.504 0 40 EJAB CN(Cc1cccc(Cl)c1)C(=O)Nc1nc2ccccc2s1 9955911 HFYYMACUBJIBMB-UHFFFAOYSA-N 331.828 4.614 0 40 EJAB O=C(Nc1ccccc1)Oc1cc2sc(=O)oc2c2ccccc12 16489705 NNDZBTCCTSBXIC-UHFFFAOYSA-N 337.356 4.619 0 40 EJAB Fc1ccc(CN[C@@H](Cc2ccsc2)c2nccs2)cc1F 19292995 UDCANXMBCJNZEO-HNNXBMFYSA-N 336.432 4.556 0 40 EJAB COc1ccc(OC)c(NCc2ccccc2OCCC(C)C)c1 19737818 NJMJQWYLBKCCPN-UHFFFAOYSA-N 329.440 4.741 0 40 EJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(OC)cc1 19931805 BALGGTVZOLUPIQ-QGZVFWFLSA-N 349.883 4.536 0 40 EJAB Cc1c(C(=O)N[C@H](C)c2ccc(F)cc2)sc2cccc(F)c12 20008287 LIAGPIALRPTHQN-LLVKDONJSA-N 331.387 4.979 0 40 EJAB Cc1sc(NC(=O)C2CC2)nc1-c1ccc(Cl)cc1Cl 20343045 CWXYDIHBJDWHFH-UHFFFAOYSA-N 327.236 4.774 0 40 EJAB CCc1ccc(Nc2nn(-c3ccccc3)c3c2C(=O)CCC3)cc1 20671853 ZCSQSUMYXUAGNX-UHFFFAOYSA-N 331.419 4.697 0 40 EJAB COc1ccc(NC(=O)C2=Cc3ccc(C)cc3OC=C2)cc1Cl 33324428 BHKQDAFHGVGQQB-UHFFFAOYSA-N 341.794 4.585 0 40 EJAB CC1CCN(C(=S)c2ccccc2OCc2ccccc2)CC1 33663920 XFYFNLMDKXVDHO-UHFFFAOYSA-N 325.477 4.673 0 40 EJAB CCCC[C@H](CC)CN1C(=O)c2[nH]nc(C)c2[C@H]1c1ccccc1F 36617827 HDMLENWBXXIRFQ-IFXJQAMLSA-N 343.446 4.619 0 40 EJAB O=C(Nc1ccccc1F)c1ccc(OCc2cccs2)cc1 40073390 FJPWAKRIFPOFGQ-UHFFFAOYSA-N 327.380 4.719 0 40 EJAB C[C@@H](NC(=O)C(C)(C)C)c1ccc(NC(=O)Nc2ccccc2)cc1 47255532 VZSOPFGZNWYZIP-CQSZACIVSA-N 339.439 4.554 0 40 EJAB Cc1ccc2c(CN3CCC[C@@H]3c3ccsc3)cc(=O)oc2c1 48367587 PUJUDTUTWQJWRK-QGZVFWFLSA-N 325.433 4.500 0 40 EJAB O=C(Nc1ccccn1)N[C@H](c1ccccc1)c1cc2ccccc2o1 58378149 SOSRNPZYXQNYNU-HXUWFJFHSA-N 343.386 4.739 0 40 EJAB CCCCn1c(SCc2ccc(C)cc2)nc2ccccc2c1=O 67259689 PPTQGLLOVJINJC-UHFFFAOYSA-N 338.476 4.797 0 40 EJAB CC(C)(C)OC(=O)N(c1ccc(C2=NCCCC2)cn1)C1CCCC1 72215573 SKJLRCKDIBJAAU-UHFFFAOYSA-N 343.471 4.739 0 40 EJAB FC(F)(F)c1nc(N[C@H]2C[C@@H]2c2ccccc2)c2ccccc2n1 84525476 BUWRPUDKFVOJAV-HIFRSBDPSA-N 329.325 4.617 0 40 EJAB CC1(C)[C@@H]2C[C@@H]1CC=C2CCOC(=O)NC(=O)c1ccc(Cl)cc1 102151194 NMCIEMULWTVBDM-GOEBONIOSA-N 347.842 4.589 0 40 EJAB O=C1S/C(=C/c2ccccc2Cl)C(=O)N1Cc1ccc(F)cc1 214247426 IJZLLJGRSXWNQA-OQLLNIDSSA-N 347.798 4.716 0 40 EJAB COc1ccc(CCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1C 223204674 ZKISAOPUHIVTHU-UHFFFAOYSA-N 337.341 4.594 0 40 EJAB CCc1ccc(CC)c(CNC(=O)CSCc2ccc(C)cc2)c1 223749244 KYVCUNAICRAPSM-UHFFFAOYSA-N 341.520 4.669 0 40 EJAB COc1ccc(C(=O)NCC(C)C)cc1CSc1ccc(C)cc1 224333093 MVOUETSHPQYKFP-UHFFFAOYSA-N 343.492 4.682 0 40 EJAB CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc2ccccc2c1 225043746 MNZZFGFLVHEYDQ-UHFFFAOYSA-N 339.460 4.672 0 40 EJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](C)c1ccccc1 225155595 NRGNZZIXUFYKDA-IIBYNOLFSA-N 337.463 4.600 0 40 EJAB Cc1ccccc1COc1c(Cl)cc(C=O)cc1Br 225683190 WIRZDEJEBKZPRH-UHFFFAOYSA-N 339.616 4.802 0 40 EJAB Cc1cccnc1NC(=S)NC1(c2ccccc2Cl)CCCC1 225871955 BQPRUXRWHWYFDS-UHFFFAOYSA-N 345.899 4.799 0 40 EJAB CC(C)(C)C(=O)n1c2c(c3cc(Br)ccc31)CCCC2 227158023 FIRNBJGQCBHQCB-UHFFFAOYSA-N 334.257 4.969 0 40 EJAB CC[C@H](C)N1C(=O)S/C(=C\c2c(OC)ccc3ccccc23)C1=O 409014760 YKKSGIFQTHVMPY-UEMWTREESA-N 341.432 4.683 0 40 EJAB C[C@]12CC[C@@H]3[C@H](CC[C@@]4(C)C[C@@H]5O[C@@H]5C[C@@]34C)[C@H]1CCC21OCCO1 627261431 RCRKFBWQIMSUOE-LTMFWQMUSA-N 346.511 4.540 0 40 EJAB O=C(NCc1cc(-c2ccoc2)cs1)Nc1ccccc1Cl 1775969882 QDTVOKBDIMKTOP-UHFFFAOYSA-N 332.812 4.983 0 40 EJAB Fc1ccc2[nH]c3nc(SCc4ccc(Cl)cc4)nnc3c2c1 287599 WRPXQRYRFWMTOR-UHFFFAOYSA-N 344.802 4.591 0 40 EJAB CCCC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1C)CCC2 503359 FWLGHMXVEZQNOD-UHFFFAOYSA-N 342.464 4.536 0 40 EJAB C[C@]1(c2ccc(F)cc2)Nc2ccccc2-c2nc3ccccc3n21 541252 CWOLVFQROPLVTH-NRFANRHFSA-N 329.378 4.989 0 40 EJAB O=C(Nc1ccc(Cl)cc1)c1csc(Cc2ccccc2)n1 1384025 RJXCWXRVATZHKN-UHFFFAOYSA-N 328.824 4.640 0 40 EJAB Cc1ccc(Cl)cc1NC(=O)c1ccc(OC(F)(F)F)cc1 2644528 DAYGIABZVSNHML-UHFFFAOYSA-N 329.705 4.799 0 40 EJAB CN(Cc1ccccc1F)C(=S)Nc1cccc(C(F)(F)F)c1 3330964 AZPJHCLKYNITQU-UHFFFAOYSA-N 342.361 4.673 0 40 EJAB CC(C)(C)c1ccc(CSc2nc(C(C)(C)C)cc(=O)[nH]2)cc1 4024710 DNIYWEZNZOPXIH-UHFFFAOYSA-N 330.497 4.657 0 40 EJAB Cc1ccccc1C(=O)Nc1nnc(-c2cc(Cl)ccc2Cl)o1 4479429 FBDGTPAINUYKLQ-UHFFFAOYSA-N 348.189 4.604 0 40 EJAB Cc1cc(NC(=O)C(C)C)cc(-c2nc3cc(Cl)ccc3o2)c1O 4988499 URZFRWNOOVXYGE-UHFFFAOYSA-N 344.798 4.757 0 40 EJAB Cc1ccc(CSc2nnc(-c3ccccc3Cl)n2C)cc1 5448192 RGNYUPBBETZYKY-UHFFFAOYSA-N 329.856 4.736 0 40 EJAB O=C(O)c1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc1 6883602 ZUSYPSRNNSFXMK-UHFFFAOYSA-N 341.750 4.551 0 40 EJAB Cc1nc(-c2cccc(NC(=S)NCc3ccccc3)c2)cs1 7101719 UADFEQKIJXYPFS-UHFFFAOYSA-N 339.489 4.605 0 40 EJAB O=C(CCc1ccc(F)cc1)Nc1nc2ccc(Cl)cc2s1 7278874 KWEAUSIKYPDOCP-UHFFFAOYSA-N 334.803 4.660 0 40 EJAB Cc1csc(NC(=O)c2ccc(-c3nc4ccccc4s3)o2)n1 8193885 VBKSMZHWPZQJIE-UHFFFAOYSA-N 341.417 4.574 0 40 EJAB C[C@@H](c1ccc(F)cc1)N(C)C(=O)CCc1nc2ccccc2s1 8938100 NEJVFMXVOKKEPL-ZDUSSCGKSA-N 342.439 4.588 0 40 EJAB CC(=O)c1cccc(OCc2ccc(C(=O)Nc3ccccc3)cc2)c1 10855890 AKQXOMIARJOJJT-UHFFFAOYSA-N 345.398 4.721 0 40 EJAB CC(=O)N[C@@H](C)c1ccc(C(=O)c2cc3cc(Cl)ccc3o2)cc1 11164170 DTJYTESLLYSTCY-NSHDSACASA-N 341.794 4.514 0 40 EJAB CC(C)c1ccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1 12574363 RKQWTHASFAOVEK-LJQANCHMSA-N 333.435 4.664 0 40 EJAB O=C(c1ccc(F)cc1Cl)N(c1ccccn1)C1CCCCC1 12600704 HTYUOCVHNPNKPH-UHFFFAOYSA-N 332.806 4.854 0 40 EJAB Cc1ccc(C)c2nc3c(cc12)CN(Cc1ccc(F)cc1)C(=O)O3 13226970 FVMAHAZYOVRRHJ-UHFFFAOYSA-N 336.366 4.505 0 40 EJAB c1ccc(-c2cc(CSc3ncnc4sccc34)on2)cc1 14075889 CVXXITPFOOIVTO-UHFFFAOYSA-N 325.418 4.639 0 40 EJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H](C)c1cc(C)ccc1C 20111470 NEKYQXJZNLRBQD-NQIIRXRSSA-N 339.479 4.955 0 40 EJAB Cc1ccc(CN(C)C(=O)c2ccccc2OCc2ccccc2)cc1 20459800 CHQNAJGXAPWQLL-UHFFFAOYSA-N 345.442 4.846 0 40 EJAB CC[C@H](NC(=O)COc1ccc(Cl)cc1Cl)c1ccccc1 20460045 AQHZDKJGGBKDPB-HNNXBMFYSA-N 338.234 4.640 0 40 EJAB CCn1c2ccccc2c2cc(NC(=O)c3ccc(C)nc3)ccc21 22410853 IOVASLUKMSTFTE-UHFFFAOYSA-N 329.403 4.770 0 40 EJAB O=C(Nc1cccc2cccnc12)c1ccc(OC2CCCC2)cc1 31882291 VWMOEHUFGUDSGB-UHFFFAOYSA-N 332.403 4.809 0 40 EJAB CN(Cc1ccco1)[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 34889811 LBEDLKJHVOGPFV-OAQYLSRUSA-N 344.414 4.817 0 40 EJAB COc1ccc([C@@H]2CCCN2C(=O)c2cc3ccccc3s2)cc1 40009508 IWJYTFNAFPDCNO-KRWDZBQOSA-N 337.444 4.887 0 40 EJAB CCCCN(CCCC)C(=O)Nc1ccc(NC(C)=O)c(Cl)c1 40104413 NFQNFSBXSZYJDC-UHFFFAOYSA-N 339.867 4.733 0 40 EJAB Cc1cc(Nc2cccc(C(=O)O)c2)c2ccc(Cl)c(C)c2n1 78401663 VOAOCFGVSOFEPX-UHFFFAOYSA-N 326.783 4.947 0 40 EJAB C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(NC2CCCCC2)cc1 78594339 JNIHYTYQYMJROE-IAGOWNOFSA-N 344.499 4.600 0 40 EJAB CC[C@H](NC(=O)Cc1ccc(Cl)cc1F)c1ccc(OC)c(C)c1 225587715 UBCSSKRPDVAGMK-KRWDZBQOSA-N 349.833 4.606 0 40 EJAB CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OC)c2ccccc12 225844017 IDISUMCIPOMCKJ-FQEVSTJZSA-N 329.440 4.772 0 40 EJAB CCN(C(=O)C(F)(F)F)c1ccc2oc(-c3ccccc3C)nc2c1 226281984 HNDQRHWFPQUKTR-UHFFFAOYSA-N 348.324 4.718 0 40 EJAB Cc1nnc(SCc2ccc(F)cc2)n1-c1ccc(Cl)cc1 409119746 SUJGKHBVDKZKIL-UHFFFAOYSA-N 333.819 4.661 0 40 EJAB COC(=O)c1cccc(CSc2cccc(C(F)(F)F)c2)c1 161212 XBTPPDFBUNUWMA-UHFFFAOYSA-N 326.339 4.784 0 40 EJAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(OC)c(Cl)c2)cc1 505746 BEABFARZMAIBRC-CYBMUJFWSA-N 347.842 4.880 0 40 EJAB CCCCc1ccc(N[C@H]2SC(=O)N(c3ccccc3)C2=O)cc1 3647903 LXLDPZCGBHSJDR-KRWDZBQOSA-N 340.448 4.667 0 40 EJAB Cc1ccccc1N1C(=O)S[C@H](Nc2ccc(C(C)C)cc2)C1=O 3647927 XXTHDLNZLMKPAT-KRWDZBQOSA-N 340.448 4.756 0 40 EJAB Cc1cc(C)c(CS(=O)(=O)Cc2c(C)cc(C)cc2C)c(C)c1 3847926 OCMDCOKLWUKBDG-UHFFFAOYSA-N 330.493 4.652 0 40 EJAB biogenic COc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CCCC2)cc1 4142227 BHWPOVDAKWUESY-LJQANCHMSA-N 334.419 4.509 0 40 EJAB O=C(NCCSCc1ccc(Cl)cc1)c1ccc(Cl)cc1 4390592 CURIYHGUJUPDSQ-UHFFFAOYSA-N 340.275 4.657 0 40 EJAB C[C@H](NC(=O)[C@H](Sc1ccccc1)c1ccccc1)c1ccncc1 5226837 HTJGOCORNUANPJ-OXJNMPFZSA-N 348.471 4.792 0 40 EJAB CC(C)CC[C@H](CC(=O)Nc1nccs1)[C@H]1CCOC(C)(C)C1 5246367 KAHPPHZFDIXLCC-CABCVRRESA-N 338.517 4.729 0 40 EJAB CCc1c(C)c2ccc3c(c2oc1=O)CN(c1cc(C)cc(C)c1)CO3 5478431 PQGSOSUMKDSSMY-UHFFFAOYSA-N 349.430 4.637 0 40 EJAB COc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)c(Cl)c1 5527211 OBVBWHQNYPHVPC-UHFFFAOYSA-N 330.598 4.908 0 40 EJAB O=C(Cc1ccsc1)Nc1nc(-c2c[nH]c3ccccc23)cs1 5938082 HWNXHTUDBPSBOT-UHFFFAOYSA-N 339.445 4.534 0 40 EJAB COc1cc(/C=C/c2nc3cc(C)c(C)cc3s2)cc(OC)c1O 6281625 PRPLYQGDZMBKFC-AATRIKPKSA-N 341.432 4.806 0 40 EJAB O=C(CSCc1c(Cl)cccc1Cl)NCc1ccccc1 7094362 CNUXVEPSDSIJNH-UHFFFAOYSA-N 340.275 4.543 0 40 EJAB CCc1ccc(-c2nc(-c3ccc4c(c3)CC(=O)N4C)cs2)cc1 8297294 UFRRTEFDSRMJIJ-UHFFFAOYSA-N 334.444 4.558 0 40 EJAB O=C(Nc1nc(-c2cc(Cl)sc2Cl)cs1)C1CCC1 9584945 QMDYPBFDXMDVKI-UHFFFAOYSA-N 333.265 4.917 0 40 EJAB Cc1ccc(Cl)cc1NC(=O)CCC(=O)c1ccc2c(c1)CCC2 12916493 IXOPOFIVQOINTE-UHFFFAOYSA-N 341.838 4.739 0 40 EJAB Cc1cccc(Nc2nn(-c3ccc(F)cc3)c3c2C(=O)C[C@H](C)C3)c1 20672251 RADOSKWIUMIRLI-CQSZACIVSA-N 349.409 4.828 0 40 EJAB O=C(CCc1c[nH]c2ccccc12)NCC1(c2ccccc2)CCCC1 22838926 SHWVNKNIXFXDGZ-UHFFFAOYSA-N 346.474 4.729 0 40 EJAB Cc1nccn1-c1ccc(NC(=O)Nc2cccc3ccccc23)cc1 28579857 WESHKNPCBZBSRS-UHFFFAOYSA-N 342.402 4.978 0 40 EJAB COCc1ccc(C(=O)N[C@H](c2cccs2)C2CCCC2)cc1 32396801 GZISKJYBUOVTJW-SFHVURJKSA-N 329.465 4.556 0 40 EJAB COc1ccc([C@H]2CN(C(=O)OC(C)(C)C)c3ccccc3N2)cc1 35572157 LVQCLOITQVREAB-QGZVFWFLSA-N 340.423 4.604 0 40 EJAB CC(C)(C)c1cc(Br)ccc1OCC[C@H]1CCCCN1 42770454 RGEOIXPRHQLIFV-CQSZACIVSA-N 340.305 4.658 0 40 EJAB CCOc1ccccc1CNC(=O)CCc1ccc(C(C)(C)C)cc1 44839218 PQPCKMSQOMEHTN-UHFFFAOYSA-N 339.479 4.632 0 40 EJAB Nc1ccc(Br)cc1-c1nc2c(Cl)cccc2s1 45920767 FADPQSWFKYIWTA-UHFFFAOYSA-N 339.645 4.961 0 40 EJAB CCC[C@H](C(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C)c1ccccc1 49649856 QCEWAJPRXDIRDG-PXNSSMCTSA-N 349.478 4.960 0 40 EJAB COc1ccc2oc(Nc3nc4ccc(Cl)cc4s3)nc2c1 57352932 AVNAIUOAIQQHAZ-UHFFFAOYSA-N 331.784 4.843 0 40 EJAB FC(F)(F)c1nc2ccccc2n1Cc1csc(-c2ccco2)n1 58407040 CACTVLUMTQDMPT-UHFFFAOYSA-N 349.337 4.820 0 40 EJAB Cc1ccc(C)c([C@H](C)NC(=O)COc2ccc(C(C)C)cc2)c1 59351438 UGZCWJAKQREEAT-KRWDZBQOSA-N 325.452 4.683 0 40 EJAB Fc1ccc(Cc2cccc([C@@H]3CCCN3Cc3ccccn3)n2)cc1 72357712 RQGQKYUMPYOPLS-QFIPXVFZSA-N 347.437 4.544 0 40 EJAB CCc1ccc([C@H](C)NC(=O)COc2cccc3ccccc23)cc1 78457866 XZZITDIFIBCQKJ-INIZCTEOSA-N 333.431 4.658 0 40 EJAB Cn1ccnc1CNc1ccccc1Oc1ncc(Cl)cc1Cl 95410371 JEQHFFJVKQNXON-UHFFFAOYSA-N 349.221 4.526 0 40 EJAB CC(C)CCn1ccc2cc(NC(=O)c3ccnc(N[N+]#N)c3)ccc21 95478046 BOIHMVVYWBBTQT-UHFFFAOYSA-O 349.418 4.515 0 40 EJAB CCc1cccc2c(CC(=O)Nc3nccc4sccc34)c[nH]c12 96011144 QKVKDBUOMKKAFJ-UHFFFAOYSA-N 335.432 4.521 0 40 EJAB CC[C@H](Oc1cccc(C)c1)C(=O)NCCCc1ccccc1Cl 216264523 WKJNNJLJWHGXNZ-IBGZPJMESA-N 345.870 4.555 0 40 EJAB CCCOc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1 222957848 DUUWQEXHIWUAFA-MRXNPFEDSA-N 337.463 4.845 0 40 EJAB Cc1cccc(CNC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)c1 223837607 PFRDLNWOQNMGCR-KRWDZBQOSA-N 325.452 4.511 0 40 EJAB C[C@H](CNC(=O)[C@@H](C)Oc1ccc2ccccc2c1)c1ccccc1 224284747 NKILOYMNVIZFNB-IAGOWNOFSA-N 333.431 4.527 0 40 EJAB CCN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc2ccccc2c1 225044088 NBZZEPRLRIVOMP-UHFFFAOYSA-N 339.460 4.672 0 40 EJAB Cc1cccc(-c2nc3cc(N4Cc5ccccc5C4=O)ccc3o2)c1 226286060 RYGUPAGCTFPHLH-UHFFFAOYSA-N 340.382 4.964 0 40 EJAB CCC(F)(F)C(C)(C)CNc1ccc(-c2nnc3n2CCCC3)cc1 527680407 WVIKWRAPJOQBCG-UHFFFAOYSA-N 348.441 4.765 0 40 EJAB C[C@@H]1C[C@@H]1N(C(=O)c1cnc2onc(C(C)(C)C)c2c1)c1ccccc1 576805941 WJELGXYHWFGZQA-DYVFJYSZSA-N 349.434 4.576 0 40 EJAB Brc1ccc2c(c1)CC[C@H](Nc1cccc3cc[nH]c13)C2 1658963761 HDJNHUVJGLSLPR-INIZCTEOSA-N 341.252 4.900 0 40 EJAB Cc1nc(SCC(=O)c2cccs2)c2c(C)c(C)sc2n1 414681 ZZYKZBNMMOKNAU-UHFFFAOYSA-N 334.491 4.653 0 40 EJAB COc1cccc([C@]2(C)Nc3ccccc3-c3nc4ccccc4n32)c1 543613 GOFKBYMLZNXKGI-JOCHJYFZSA-N 341.414 4.858 0 40 EJAB O=C(c1ccc(CN2CCCCC2)cc1)c1ccccc1C(F)(F)F 2514521 MBTOGVFKJWVFTG-UHFFFAOYSA-N 347.380 4.922 0 40 EJAB O=C(c1ccc(CN2CCCC2)cc1)c1ccc(Cl)cc1Cl 2514584 ICBAZHXNLIPZBN-UHFFFAOYSA-N 334.246 4.820 0 40 EJAB Cc1cc(C(=O)Nc2ccc3nc(C)sc3c2)c2ccccc2n1 2628367 JNCZBMZCZQCUIG-UHFFFAOYSA-N 333.416 4.714 0 40 EJAB CC(=O)c1ccc(OCC(=O)c2ccc3c(c2)-c2ccccc2C3)cc1 3427076 SWKNVJSVCMAIFP-UHFFFAOYSA-N 342.394 4.722 0 40 EJAB COc1cc(-c2nc3ccccn3c2Nc2ccccc2C)ccc1O 3911574 DVVGFNFJUOTIDK-UHFFFAOYSA-N 345.402 4.768 0 40 EJAB O=C(NCCSCc1ccc(Cl)cc1)c1cc2ccccc2o1 5245558 QCKUIAYQTKYWRC-UHFFFAOYSA-N 345.851 4.749 0 40 EJAB c1nc(NCC23CC4CC(CC(C4)C2)C3)c2c3c(sc2n1)CCC3 6477040 NWUZOGPNPPOQGW-UHFFFAOYSA-N 339.508 4.808 0 40 EJAB CCCOc1ccc(C(=O)Nc2ccccc2C)cc1OCCC 7400154 KGHIFQACQDTSJW-UHFFFAOYSA-N 327.424 4.825 0 40 EJAB Fc1ccccc1NC(=S)NC(c1ccccc1)c1ccccc1 7521293 COXKBJNEMYCQGN-UHFFFAOYSA-N 336.435 4.902 0 40 EJAB COc1ccc(C)cc1NC(=O)CSc1ccc2ccccc2c1 8082711 YSGKFGAPULZTCT-UHFFFAOYSA-N 337.444 4.888 0 40 EJAB O=C(Cc1ccc(Cl)cc1Cl)NCCc1ccc(Cl)cc1 8085030 ODLPRDCJWVBLKR-UHFFFAOYSA-N 342.653 4.548 0 40 EJAB CCc1ccc(/C=C2/SC(Nc3ccc(Cl)cc3)=NC2=O)cc1 8337813 BXRJCAXBWISRJW-LFIBNONCSA-N 342.851 4.985 0 40 EJAB O=C(Nc1ccc(Cl)cc1Cl)c1ccc(CN2CCCC2)cc1 10338269 IABNBWXAAMFYLZ-UHFFFAOYSA-N 349.261 4.842 0 40 EJAB Cc1cc(NC(=S)N[C@@H](C)c2ccccc2)ccc1Br 13795497 AUVJVKJOQXBQDG-LBPRGKRZSA-N 349.297 4.805 0 40 EJAB Cc1ccc(C)c2nc3c(cc12)CN(Cc1ccccc1F)C(=O)O3 19134687 XAKUWMILSAZUNS-UHFFFAOYSA-N 336.366 4.505 0 40 EJAB CCCCCCOc1ccc(C(=O)Nc2ccc(N)cc2C)cc1 19736398 HBOFYWQJOYYTDM-UHFFFAOYSA-N 326.440 4.789 0 40 EJAB Fc1ccc(CSc2nc3ccc(Br)cc3[nH]2)cc1 20765369 KYKWRTRRACRRGS-UHFFFAOYSA-N 337.217 4.757 0 40 EJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCSC1CCCCC1 30756309 MJIAAVKOKPQEIL-SFHVURJKSA-N 349.540 4.643 0 40 EJAB C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)o1)C(=O)c1ccccc1 31685527 HJAODULBWNYUTG-GFCCVEGCSA-N 349.415 4.581 0 40 EJAB COc1ccc(C)cc1NC(=O)CSc1cccc2ccccc12 32691322 RWTZHGCNMXXMIT-UHFFFAOYSA-N 337.444 4.888 0 40 EJAB C[C@@H]1CCCCN1C(=O)c1cccc(-c2nc3ccccc3s2)c1 41127505 IULIFBVBMXLKGP-CQSZACIVSA-N 336.460 4.978 0 40 EJAB Cc1ccccc1[C@H](NC(=O)CSc1ccccc1)c1ccccc1 44899948 JRVVVUPWTLQQSH-JOCHJYFZSA-N 347.483 4.993 0 40 EJAB CN(Cc1cccc2ccccc12)C(=O)Cc1cn(C)c2ccccc12 58427650 DWFVTLLELHMVOZ-UHFFFAOYSA-N 342.442 4.533 0 40 EJAB F/C(COc1ccc2c(c1)[nH]c1ccccc12)=C1\CN2CCC1CC2 83434042 XNDCPFTULXRWQH-VHEBQXMUSA-N 336.410 4.649 0 40 EJAB Cc1ccsc1[C@@H](C)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 95420395 KOVGTQYCOJCTMY-ZIAGYGMSSA-N 343.496 4.752 0 40 EJAB O=c1[nH]c2c(s1)[C@H](c1ccccc1Cl)[C@H]1[C@@H](S2)[C@@H]2CC[C@@H]1C2 102002113 JSSBVGZWZPTGCP-GTYQYVJESA-N 349.908 4.742 0 40 EJAB C[C@H](N[C@H](C)c1ccc2c(c1)CCCC2)c1ccc([S@](C)=O)cc1 108357136 KRGBXPSUMSLGRE-VMPBMTGNSA-N 341.520 4.715 0 40 EJAB c1ccc(CSc2n[nH]c(C34CC5CC(CC(C5)C3)C4)n2)cc1 196485007 CEMLJVXFSNRQMF-UHFFFAOYSA-N 325.481 4.565 0 40 EJAB CC[C@H](NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1)c1ccc(C)c(C)c1 219550873 SKBDABPMGZAYED-NQIIRXRSSA-N 339.479 4.955 0 40 EJAB CC[C@H](Oc1cccc(C)c1)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 223219230 RQSBEHNZEHYRNO-IERDGZPVSA-N 337.463 4.519 0 40 EJAB Cc1ccc(O[C@@H](Cc2cccc(Cl)c2Cl)C(=O)O)cc1C 225083480 KAWRVKHLHRMEJX-HNNXBMFYSA-N 339.218 4.685 0 40 EJAB CCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OC)cc1C 225616078 SPRZOSOHTKGRGJ-UHFFFAOYSA-N 335.488 4.810 0 40 EJAB CC[C@@H](CNC(=S)Nc1cc(C)ccc1C)Cc1ccccc1 225629373 AGBZZZIWKRSPDO-QGZVFWFLSA-N 326.509 4.859 0 40 EJAB CC[C@@H](c1cccc(OC)c1)N(C)Cc1cc2ccccc2c(O)n1 585083868 FXUWPWMTZLWHRO-FQEVSTJZSA-N 336.435 4.532 0 40 EJAB Cc1nnc(Nc2ccc(OC(F)(F)Cl)cc2)c2ccccc12 39058 HZEQROXNQPUITM-UHFFFAOYSA-N 335.741 4.850 0 40 EJAB CCc1cc2ccc(C)cc2nc1SCC(=O)N1CCCC[C@H]1C 413584 IFQFTBPTCFBGCF-OAHLLOKOSA-N 342.508 4.599 0 40 EJAB CC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1OCc1ccccc1 1398682 UBLIEJZLCMBRSD-MRXNPFEDSA-N 339.218 4.585 0 40 EJAB CCCNC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12 2081499 NZGRVYLKMNGGNE-UHFFFAOYSA-N 330.840 4.757 0 40 EJAB CCOc1ccccc1[C@H]1N=C(O)c2c(sc3c2CC[C@H](C)C3)N1 4571626 OJHIAYJMXSPZDW-GTNSWQLSSA-N 342.464 4.701 0 40 EJAB COc1cc(NC(=O)c2ccc(-c3ccccc3)cc2)cc(OC)c1 4775548 YXSSPLZIXVVGMT-UHFFFAOYSA-N 333.387 4.623 0 40 EJAB O=C(Cc1ccc(F)cc1)Nc1cccc(-c2nc3ccccc3o2)c1 5268363 AZYTVBPJIIUGFO-UHFFFAOYSA-N 346.361 4.815 0 40 EJAB CCOc1ccc(/C=C\c2ccc3ccccc3[n+]2C)cc1OCC 5699572 VESDHVVWRODCHN-RAXLEYEMSA-N 334.439 4.632 0 40 EJAB O=C(NCc1csc(-c2ccccc2)n1)c1ccc2ccccc2c1 10893731 SIBMNHLTTGYRDE-UHFFFAOYSA-N 344.439 4.893 0 40 EJAB O=C(NCCCc1ccc(F)cc1)c1ccc(-c2ccccc2)cc1 13674286 LYWXXIXYXYFVRP-UHFFFAOYSA-N 333.406 4.855 0 40 EJAB CCc1ccccc1NC(=S)N1c2ccc(F)cc2CC[C@@H]1C 13829556 LAENKAXXAVDFDW-ZDUSSCGKSA-N 328.456 4.926 0 40 EJAB COc1ccccc1C(=O)N[C@@H](c1ccccc1)c1ccccc1C 20452178 KITVBVATIAGUQQ-NRFANRHFSA-N 331.415 4.523 0 40 EJAB O=C(O)c1cccc2c1N[C@H](c1ccccc1)[C@H](c1ccccc1)N2 22115696 CGCADNMILNKOBY-RBUKOAKNSA-N 330.387 4.705 0 40 EJAB O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cc2c(F)cccc2s1 22882736 XVRQWKPENVCZLD-ZJUUUORDSA-N 345.361 4.891 0 40 EJAB Cc1ccc(-c2csc(-c3nnn(-c4ccccc4)c3C)n2)cc1 23125453 CUEZFVLTVVEBED-UHFFFAOYSA-N 332.432 4.675 0 40 EJAB O=C(Nc1ccncc1)c1cccnc1Sc1ccc(Cl)cc1 24927441 YHVYOYQHTLRRAX-UHFFFAOYSA-N 341.823 4.534 0 40 EJAB Cc1ccc([C@H](NC(=O)Cc2cccs2)c2ccccc2)cc1C 25281647 OACZZVXSGZBPAY-OAQYLSRUSA-N 335.472 4.813 0 40 EJAB Nc1ccccc1Nc1nc(-c2ccccc2)cn1-c1ccccc1 27753492 BUOQFOCYYQPYSQ-UHFFFAOYSA-N 326.403 4.865 0 40 EJAB Cc1ccc(-c2nonc2NC(=O)c2oc3ccccc3c2C)cc1C 27989991 IEFIUGSFRVIIHL-UHFFFAOYSA-N 347.374 4.660 0 40 EJAB Cc1ccc(C)c(C(=O)Cn2c(-c3ccccn3)nc3ccccc32)c1 28539470 RQZOFEPJMHQBPC-UHFFFAOYSA-N 341.414 4.598 0 40 EJAB C[C@H]1C(=O)C[C@@H](c2ccc(Cl)cc2)N[C@H]1c1ccc(Cl)cc1 33759809 GVIAXRUEUWNZTF-SDDDUWNISA-N 334.246 4.974 0 40 EJAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N(C)Cc1ccc(Cl)cc1 38754868 QJHAKCUYBRQNHS-GOSISDBHSA-N 345.870 4.773 0 40 EJAB Cc1cc(O[C@H](C)C(=O)Nc2c(C)cccc2C)cc(C)c1Cl 40913172 TUSQNZXGDVXGHK-OAHLLOKOSA-N 331.843 4.980 0 40 EJAB CCN(CC)C(=O)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 44294726 XVCONOCUSHMFPX-UHFFFAOYSA-N 338.382 4.630 0 40 EJAB CCOc1cccc(CNC(=O)c2ccccc2SC(C)C)c1 44640597 MXZMEYKQBRAGSH-UHFFFAOYSA-N 329.465 4.516 0 40 EJAB C[C@H](NC(=O)Nc1ccccc1COc1ccccc1)c1ccncc1 56748338 XLYBAYZRDYVCOW-INIZCTEOSA-N 347.418 4.543 0 40 EJAB CC1=N/C(=C\c2ccc(Cl)cc2Cl)C(=O)N1c1ccccc1 59489767 QCMWIRQIRHOZNS-SXGWCWSVSA-N 331.202 4.800 0 40 EJAB CC(C)(C)OC(=O)N1CCCC[C@@H]1c1ccc(NC2CCC2)nc1 72213866 LGZAXECOVILHJD-MRXNPFEDSA-N 331.460 4.508 0 40 EJAB CC(C)Sc1ccc([C@H]2CCCN2C(=O)c2ccccc2)cn1 72217489 SDXYJWQWBRCXMS-QGZVFWFLSA-N 326.465 4.559 0 40 EJAB CCC(=O)N1CCC[C@H]1c1nc2ccccc2n1CC1CCCCC1 76556359 ZTQZQCQCVFQHNE-IBGZPJMESA-N 339.483 4.690 0 40 EJAB Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NCc1cccnc1 78553908 SNZFUDFUDCGXJO-LBPRGKRZSA-N 327.428 4.503 0 40 EJAB CC(C)[C@H](Sc1ncccc1Cl)C(=O)NC1CCCCCC1 84409082 YCEHUQMTUWMHDB-HNNXBMFYSA-N 340.920 4.691 0 40 EJAB C[C@@H](Cc1nc2ccccc2s1)NC(=O)Nc1ccccc1Cl 84641007 RRPDGBNUQDOFTF-NSHDSACASA-N 345.855 4.702 0 40 EJAB Cc1nc([C@H](C)Nc2cccc(CO)c2)oc1-c1ccc(Cl)cc1 89557972 LKVQPFWVUFLZOT-ZDUSSCGKSA-N 342.826 4.969 0 40 EJAB O=C(Nc1cccc(C[S@](=O)C2CCCCC2)c1)c1cccs1 96408296 ONAWQTPHQPMXLG-HSZRJFAPSA-N 347.505 4.582 0 40 EJAB CCOC(=O)c1cccc(NC(=O)CCc2cccc3ccccc23)c1 222673311 IRLCKTUCQOYCRX-UHFFFAOYSA-N 347.414 4.588 0 40 EJAB CC[C@H](Oc1ccc(C)cc1C)C(=O)NCCSC1CCCCC1 222952600 CKDVLMLELIYUFE-SFHVURJKSA-N 349.540 4.643 0 40 EJAB CC(C)(C)c1ccc(OCCNC(=O)c2cc3ccccc3o2)cc1 223649855 UOKNERIVZAAADI-UHFFFAOYSA-N 337.419 4.539 0 40 EJAB CCCOc1ccc(NC(=O)[C@](C)(CC(C)C)OC)cc1Cl 225609762 DQKPGXOFRMDZBJ-KRWDZBQOSA-N 327.852 4.519 0 40 EJAB COc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OC)cc1Cl 225616775 HFJYDTBJTCSDGH-UHFFFAOYSA-N 341.879 4.765 0 40 EJAB O=C(NCc1cncc(-c2cccs2)c1)Nc1ccccc1Cl 225667941 RYQQEYOLBQBEQF-UHFFFAOYSA-N 343.839 4.785 0 40 EJAB CC(C)c1ccc(NC(=S)NC2(c3ccncc3)CCCC2)cc1 225843620 CQRMAAMHEWNYNP-UHFFFAOYSA-N 339.508 4.961 0 40 EJAB O=C(CCc1ccccc1F)N[C@@H](c1ccsc1)c1cccs1 390826521 NGPGSVOZDHJAHM-SFHVURJKSA-N 345.464 4.787 0 40 EJAB CC(C)Oc1ccc(C(=O)NCCSc2ccc(Cl)cc2)cc1 408678036 DMQONECVBVGVRD-UHFFFAOYSA-N 349.883 4.649 0 40 EJAB C[C@@H](NCCc1csc2ccccc12)c1nc2ccccc2n1C 538118255 ZWKYTGGZEKHUDK-CQSZACIVSA-N 335.476 4.681 0 40 EJAB Cc1cccc(N(C(=O)Nc2ccccc2)C2=NC[C@H](C)S2)c1 86422 CKZXIQSIKPUGGJ-AWEZNQCLSA-N 325.437 4.525 0 40 EJAB CCOc1ccc(/C=C/C(=O)Nc2cc(C)ccc2C)cc1OCC 147397 TVQDPXINYYQKSG-ZRDIBKRKSA-N 339.435 4.753 0 40 EJAB c1ccc(C2=NN3[C@H](c4cccs4)Oc4ccccc4[C@H]3C2)cc1 191653 GOWACXPZKVVISS-XLIONFOSSA-N 332.428 4.990 0 40 EJAB O=C(Nc1ccc(F)cc1)c1sc(Cl)nc1-c1ccccc1 384913 HXOSVZDZCZPQPV-UHFFFAOYSA-N 332.787 4.855 0 40 EJAB Cc1c(C(=O)Nc2ccc3ccccc3c2)cnn1-c1ccccc1 385033 YUYABIQSSCRRAA-UHFFFAOYSA-N 327.387 4.586 0 40 EJAB CC(C)(C)C(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1 513714 DYMIGLRMFDITEI-UHFFFAOYSA-N 330.815 4.577 0 40 EJAB CCn1cc(CC[C@H](C)NC(=O)NC2CCCCC2)c2ccccc21 3765574 AOVSJVKTNDSBPI-INIZCTEOSA-N 341.499 4.614 0 40 EJAB CC(C)CCNC(=O)c1cc2sccc2n1Cc1ccccc1 4971017 RPHQGPLGPSMVGE-UHFFFAOYSA-N 326.465 4.527 0 40 EJAB CC(C)Oc1ccc(NC(=O)COc2ccccc2C(C)(C)C)cc1 5644334 KDGAJHILJHGTNS-UHFFFAOYSA-N 341.451 4.789 0 40 EJAB Cc1nc2cc(-c3nc4ccc(C(=O)O)cc4s3)ccc2s1 5669826 DTLBEBBLEZSPLP-UHFFFAOYSA-N 326.402 4.580 0 40 EJAB Cc1cc(-c2ccc(Cl)cc2)c2c(C)nn(-c3ccccn3)c2n1 6330407 QOXAHCIYPDGBGM-UHFFFAOYSA-N 334.810 4.753 0 40 EJAB CCOc1ccccc1NC(=O)CSCc1cc(C)cc(C)c1 7209062 JMFLJHKLFLYGNB-UHFFFAOYSA-N 329.465 4.574 0 40 EJAB Cc1c(C(=O)N(CC(F)(F)F)[C@H](C)C2CC2)oc2ccc(F)cc12 7734628 RPOSGAFTQUKFQD-SNVBAGLBSA-N 343.320 4.683 0 40 EJAB Cc1ccccc1C(=O)Nc1nc2c(s1)C[C@@H](C(C)(C)C)CC2 8586763 VRBKAVPBWIPIHK-ZDUSSCGKSA-N 328.481 4.855 0 40 EJAB S=C(NCc1ccccc1)c1ccc(OCc2ccccc2)cc1 9188083 VRKOREJYJRTMMW-UHFFFAOYSA-N 333.456 4.731 0 40 EJAB CC[C@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc(OC)cc3)=NN12 13810952 YWQCDIMSKAEIPY-IEBWSBKVSA-N 342.826 4.628 0 40 EJAB S=C(NCc1ccccc1)Nc1cccc(C2SCCS2)c1 18146299 QWRYZWDEJBOMHI-UHFFFAOYSA-N 346.546 4.652 0 40 EJAB COc1ccccc1CN[C@H](Cc1ccsc1)c1nc(C)cs1 19240252 CONNAYNUILHUPI-MRXNPFEDSA-N 344.505 4.595 0 40 EJAB CCOP(=O)(OCC)[C@@H](NCc1ccccc1)c1ccccc1 28629406 BQSCXYUJYYPMDN-GOSISDBHSA-N 333.368 4.741 0 40 EJAB Cc1ccc(CN(C)C(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 30873842 LVNWCHYYDKYBGI-MRXNPFEDSA-N 345.870 4.691 0 40 EJAB COc1ccc(-c2cc(C(F)F)c3c(C)nn(C(C)C)c3n2)cc1 36616296 XRLCTBXMJMNJPO-UHFFFAOYSA-N 331.366 4.934 0 40 EJAB Fc1ccc(-c2nc(CN3CCC[C@H]3c3cccc(F)c3)co2)cc1 48261336 HRKLLYNARTXRAF-IBGZPJMESA-N 340.373 4.957 0 40 EJAB O=C(Nc1cccc(OC(F)(F)F)c1)Nc1cc(F)ccc1F 51354434 SMLDSZRCGMSYHK-UHFFFAOYSA-N 332.228 4.507 0 40 EJAB Cc1ccnn1-c1cccc(NC(=O)c2cccc3ccccc23)c1 60111491 MMCITONZCLPADC-UHFFFAOYSA-N 327.387 4.586 0 40 EJAB FC(F)(Cl)Oc1c(Cl)cc(Br)cc1Cl 95215471 PZDCGMWMFNLYFD-UHFFFAOYSA-N 326.351 4.924 0 40 EJAB CC[C@@H](C(=O)NC[C@](C)(OC)c1cccc(Cl)c1)c1ccccc1 96392427 RQECXSYQWYUETO-QUCCMNQESA-N 345.870 4.512 0 40 EJAB CC[C@H](NC(=O)[C@@H](C)Oc1ccc(C)c(C)c1)c1ccc(C)c(C)c1 219519565 XNSOGNWLGFGLIR-NQIIRXRSSA-N 339.479 4.955 0 40 EJAB Nc1ccc(Cl)c(-c2nc(-c3ccc(Cl)cc3Cl)no2)c1 225171570 BAIAVPNONMXUHG-UHFFFAOYSA-N 340.597 4.946 0 40 EJAB Cc1cccc(CSCCNC(=S)Nc2ccc(C)c(C)c2)c1 225336299 NJRQITZGEQAOBR-UHFFFAOYSA-N 344.549 4.832 0 40 EJAB Cc1cc(C)c(C(=O)Nc2ccc(Br)cc2F)cc1C 225644419 MSBYGNDUTBHDTP-UHFFFAOYSA-N 336.204 4.766 0 40 EJAB CCCO[C@@](C)(CC)C(=O)Nc1ccc(OC2CCCC2)c(C)c1 225731965 HQIOQFMWCLNPQZ-FQEVSTJZSA-N 333.472 4.850 0 40 EJAB O=C1S/C(=C\c2ccc(F)cc2)C(=O)N1c1ccccc1Cl 409060066 SCRDGXBBBROCQK-ZROIWOOFSA-N 333.771 4.720 0 40 EJAB CN(Cc1ccc(Cl)cc1Cl)C(=O)c1ccc2ncccc2c1 623243392 UQRIDGFGDPHGHI-UHFFFAOYSA-N 345.229 4.814 0 40 EJAB Oc1ccc(Cl)cc1Nc1nc(C(F)(F)F)nc2ccccc12 151340 KQRPASZIUVXTFV-UHFFFAOYSA-N 339.704 4.751 0 40 EJAB CCOC(=O)c1ccccc1NC(=O)c1ccc(-c2ccccc2)cc1 361952 GXBLIVDZGBMDEG-UHFFFAOYSA-N 345.398 4.783 0 40 EJAB O=C(Nc1cccc(Cl)c1)c1cc(-c2cccc(Cl)c2)on1 425659 OWGRURQLIRLVNB-UHFFFAOYSA-N 333.174 4.901 0 40 EJAB Cc1onc(-c2ccccc2Cl)c1C(=O)N(C)Cc1ccccc1 535081 MSAGQCLFZKBAAI-UHFFFAOYSA-N 340.810 4.576 0 40 EJAB C[C@H]1CCc2c(C(=O)Nc3nc4ccccc4s3)csc2C1 539097 WKDZWCKZAMBSOJ-JTQLQIEISA-N 328.462 4.735 0 40 EJAB Cc1ccc(-c2csc(NC(=O)c3ccc(F)cc3)n2)c(C)c1 567770 LDCRIDIKBARKSI-UHFFFAOYSA-N 326.396 4.818 0 40 EJAB CCOc1cc(-c2c[nH]c3ccccc23)cc(=O)c2c(C)oc(C)c12 1094555 DXSHHUXZWNUZML-UHFFFAOYSA-N 333.387 4.957 0 40 EJAB biogenic O=C(O)c1c2c(nc3ccccc13)-c1ccccc1C1(CCCC1)C2 1744708 HIAJBTUOUSDOPS-UHFFFAOYSA-N 329.399 4.968 0 40 EJAB CC1(C)C[C@H]([C@H](CCNCc2ccco2)Cc2ccccc2)CCO1 1817954 VGFDASKIEQFNNO-WOJBJXKFSA-N 341.495 4.823 0 40 EJAB biogenic O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1cccs1 2761724 SZEJCYRSPJKVSH-UHFFFAOYSA-N 326.855 4.839 0 40 EJAB aggregator O=C(CSc1nc(-c2ccccc2Cl)ns1)c1ccccc1 3007349 YYYOCAWIESCTSD-UHFFFAOYSA-N 346.864 4.834 0 40 EJAB Cc1ccc(C(=O)Nc2ccc(Br)cc2Cl)s1 3422860 DXTKPMQMCOMFLS-UHFFFAOYSA-N 330.634 4.725 0 40 EJAB CCCCOC(=O)[C@@H](C)CP(=O)(OCCCC)OCCCC 4429417 BJMGWHGFHSXRQT-HNNXBMFYSA-N 336.409 4.792 0 40 EJAB CCCOc1ccc(C(=O)Nc2nc3ccc(C)cc3s2)cc1 4680947 HTXZVJCAIYLDHT-UHFFFAOYSA-N 326.421 4.646 0 40 EJAB Cc1occc1-c1nnc2sc(-c3ccc4ccccc4c3)nn12 4938947 BIEQDJZKPOXOHE-UHFFFAOYSA-N 332.388 4.574 0 40 EJAB O=C(CSCc1ccc(Cl)cc1)N[C@@H]1CCCc2ccccc21 7736836 LFXYQPFJEAYBRU-GOSISDBHSA-N 345.895 4.767 0 40 EJAB COc1cccc(-c2nc(-c3ccc(OC)c(OC)c3)cs2)c1 7844698 NXOZGTRFTLJVHQ-UHFFFAOYSA-N 327.405 4.503 0 40 EJAB O=C(NCc1ccccc1OC(F)F)Nc1cccc2ccccc12 11008503 HOVNHJXKKPBCRE-UHFFFAOYSA-N 342.345 4.763 0 40 EJAB Clc1ccccc1-c1nc(CSc2nc3ccccc3[nH]2)no1 12519940 CSBSOQQLMHCBMY-UHFFFAOYSA-N 342.811 4.559 0 40 EJAB FC(F)(F)c1cnc(SCc2cn3ccsc3n2)c(Cl)c1 12659265 NVWKGYFGPLXLQF-UHFFFAOYSA-N 349.790 4.755 0 40 EJAB Cc1ccc(C)c2sc(NC(=O)c3ccc4ccccc4n3)nc12 12736955 QBQAIKLELVPZMU-UHFFFAOYSA-N 333.416 4.714 0 40 EJAB Cc1ccc(C(=O)CSc2n[nH]c(/C=C/c3ccccc3)n2)cc1C 12977397 CGKMPXDTHITVQD-PKNBQFBNSA-N 349.459 4.567 0 40 EJAB CCc1ccc(C(=O)NC(=S)Nc2ccccc2[C@H](C)CC)cc1 14257694 ZGBYCHPGLWWAOR-CQSZACIVSA-N 340.492 4.889 0 40 EJAB CC(=O)c1cccc(NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)c1 14398024 SHTXHPSURAZWOE-AWEZNQCLSA-N 345.826 4.565 0 40 EJAB CCCNCc1ccc(-c2ccc(Br)cc2Cl)o1 20875642 JXBGMSPPLMNIOH-UHFFFAOYSA-N 328.637 4.862 0 40 EJAB Cc1ccc(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)no2)cc1 27580956 LLJQZRSQNMQTBI-UHFFFAOYSA-N 346.308 4.921 0 40 EJAB Cc1ccccc1-c1nnc(-c2nc(SC(C)C)ncc2Cl)o1 28287705 MQXVCYVUOVBHGY-UHFFFAOYSA-N 346.843 4.656 0 40 EJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(F)c(Cl)c1 30868395 PAVGPRXJRXRRKI-KRWDZBQOSA-N 335.806 4.892 0 40 EJAB CCN(C(=O)c1cc(C2CC2)nc2c1cnn2C(C)C)c1ccccc1 32516910 WBCPQXHKLRCBDG-UHFFFAOYSA-N 348.450 4.556 0 40 EJAB O=C(Cc1cccc2ccccc12)N[C@H]1CCC[C@@H](C(F)(F)F)C1 32895208 BNWPFGUDAYPKHR-CVEARBPZSA-N 335.369 4.620 0 40 EJAB CC/C=C(\C)C(=O)N[C@@H](C)c1ccc(OC2CCCC2)c(OC)c1 48341644 MIKHTUJTWJGNDD-NHXNDTTKSA-N 331.456 4.550 0 40 EJAB CSc1ccc([C@H]2SCC(O)=Nc3c2cnn3C(C)(C)C)cc1 49549571 XKALDIZNEUMBRW-OAHLLOKOSA-N 347.509 4.784 0 40 EJAB Cc1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)c(C)c1 57412483 XNURWWOHHWBOPY-UHFFFAOYSA-N 325.799 4.599 0 40 EJAB Clc1ccc([C@@H]2CC(c3ccc(Br)cc3)=NN2)cc1 59378200 WXZZZWQTTHOGFE-HNNXBMFYSA-N 335.632 4.541 0 40 EJAB Fc1ccc(-c2n[nH]cc2CNCc2csc3ccccc23)cc1 61048631 QLNPBOFHVFZAQM-UHFFFAOYSA-N 337.423 4.720 0 40 EJAB CC(C)(C)OC(=O)N1CCC[C@H]1c1ccc(Oc2ccccc2)nc1 72212137 HIUSSPRCLWGXMB-KRWDZBQOSA-N 340.423 4.946 0 40 EJAB CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1C(C)C 72214737 ZNBJJIWFYLTJHO-KRWDZBQOSA-N 347.503 4.778 0 40 EJAB Nc1ccc(-c2nc3c(ccc4ccccc43)o2)c(Br)c1 73639421 FMAAQFGHWJUVHV-UHFFFAOYSA-N 339.192 4.993 0 40 EJAB CCOc1ccccc1-c1noc(CN2CCC[C@@H]2C(C)(C)CC)n1 89941990 DKHDYLXUDBXEQY-QGZVFWFLSA-N 343.471 4.536 0 40 EJAB CCc1ccc([C@H]2CC(c3ccco3)=NN2C(=O)c2ccccc2)cc1 95115902 WVCHIBXVMQQKEZ-HXUWFJFHSA-N 344.414 4.834 0 40 EJAB Cc1nn(-c2ccc(F)cc2)c(C)c1-c1nc(-c2ccccc2)c(C)[nH]1 95468280 OVCSKKAWVGPGFU-UHFFFAOYSA-N 346.409 4.994 0 40 EJAB Cc1nc(C(C)C)c(C(=O)Nc2nc3c(s2)CCCCC3)s1 96223656 ZBLDRPCAADJANZ-UHFFFAOYSA-N 335.498 4.553 0 40 EJAB O=C(Cc1cccs1)N[C@H]1CCCc2c1[nH]c1c(Cl)cccc21 96230732 YYSKNZBRJAGBJF-HNNXBMFYSA-N 344.867 4.619 0 40 EJAB O=C(NCc1ccccc1-c1ccsc1)c1c(F)cccc1F 96383389 WEALUZATCGUVHI-UHFFFAOYSA-N 329.371 4.623 0 40 EJAB Cc1cc2c(cc1C)NC1=C(O)[C@H](c3ccc(Cl)cc3)OC1=N2 104142895 FHAYKQVCQJJLCT-KRWDZBQOSA-N 326.783 4.953 0 40 EJAB O=C(CCc1ccc(F)cc1)Nc1ccc(OCc2ccccc2)cc1 223036321 RHQSVODDRZPSEJ-UHFFFAOYSA-N 349.405 4.976 0 40 EJAB CC[C@@H](C)NC(=O)c1ccc(OC)c(CSc2ccc(C)cc2)c1 224333166 HOTGCIAHDPKWQR-OAHLLOKOSA-N 343.492 4.824 0 40 EJAB CC(C)(C)c1ccccc1O[C@@H](Cc1ccc(Cl)cc1)C(=O)O 225060865 FKAUHAIBWFTMIP-KRWDZBQOSA-N 332.827 4.712 0 40 EJAB Fc1cccc(NC(=S)NCCCSC2CCCCC2)c1 225590498 KVRRXVLZMYEUBM-UHFFFAOYSA-N 326.506 4.568 0 40 EJAB CC1=Nc2c(C)cccc2[C@H](OCC(=O)Nc2ccc(C)c(C)c2)C1 227148451 JQHSYTAIBZRMTJ-LJQANCHMSA-N 336.435 4.804 0 40 EJAB O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccc(F)cn1 1124360092 IOKMXMIXKHOVMO-UHFFFAOYSA-N 349.390 4.750 0 40 EJAB CCC(=O)Nc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)ccc1C 319790 XCJCFSOJTOLWOH-UHFFFAOYSA-N 338.451 4.893 0 40 EJAB COc1ccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 363545 MPONTLHHLNAFNX-UHFFFAOYSA-N 329.705 4.620 0 40 EJAB CCCSc1nc(SC)nc2sc3c(c12)CC(C)(C)OC3 2215703 JOFRZONGKIJVOX-UHFFFAOYSA-N 340.539 4.767 0 40 EJAB CCCCn1c([C@@H](C)NC(=O)c2cccc(C)c2)nc2ccccc21 2721307 JADVDUYRLDILJT-MRXNPFEDSA-N 335.451 4.636 0 40 EJAB Cc1[nH]c2ccccc2c1[C@@H]1[C@@H](CCNC(=O)c2ccco2)C1(C)C 3765612 RYNNDFMUPGRFQM-BEFAXECRSA-N 336.435 4.629 0 40 EJAB COc1ccc2nc(SCc3ncc(-c4ccccc4)o3)[nH]c2c1 4273880 ASZUBJJCLGIKPG-UHFFFAOYSA-N 337.404 4.519 0 40 EJAB O=C(/C=C/c1ccccc1)N1CCC(c2nc3ccccc3s2)CC1 4966504 CGHRUPPVTXDNLG-ZHACJKMWSA-N 348.471 4.716 0 40 EJAB C[C@@H](NC(=O)Cc1ccccc1Cl)C12CC3CC(CC(C3)C1)C2 6286467 QUJXTUYJAJKBCT-XXWNAHEMSA-N 331.887 4.604 0 40 EJAB Cc1ccc(C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)cc1F 7117253 JFXDZOAJAAWHHT-LBPRGKRZSA-N 328.412 4.577 0 40 EJAB CCc1cc2c(SCc3nc4ccccc4o3)ncnc2s1 8131994 PJQCFWLPVWCIEZ-UHFFFAOYSA-N 327.434 4.687 0 40 EJAB O=C(Cc1ccccc1Cl)Nc1ccc(-c2nccs2)cc1 8707043 ZAKBONNYXROWLP-UHFFFAOYSA-N 328.824 4.645 0 40 EJAB COc1ccc2cc(CNC(=O)c3c(C)[nH]c4ccccc34)ccc2c1 9942278 ZCUOTJIZPIIJEV-UHFFFAOYSA-N 344.414 4.568 0 40 EJAB Clc1cccc(Cl)c1CSc1nnc(-c2cccnc2)o1 10475550 CDUXYDKFGXGNJK-UHFFFAOYSA-N 338.219 4.731 0 40 EJAB CCCOc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1 13456750 XJXIXACLJGGNEX-SREVYHEPSA-N 328.408 4.672 0 40 EJAB COc1ccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1C 14292031 UTQWLVLODISBNF-UHFFFAOYSA-N 343.732 4.928 0 40 EJAB Cc1nc(-c2ccc(F)cc2)c(CC(=O)Nc2ccc(F)cc2)s1 15318688 AOSXYJVPQJYXFI-UHFFFAOYSA-N 344.386 4.578 0 40 EJAB CCc1ccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1 15540496 DTEOKBVSSIXPRW-QGZVFWFLSA-N 336.460 4.836 0 40 EJAB c1ccc(-c2csc3nc(-c4ccccn4)nc(N4CCC4)c23)cc1 22420189 PGPUEARGACEBIG-UHFFFAOYSA-N 344.443 4.630 0 40 EJAB O=C(CSc1ccc2ccccc2c1)N[C@H]1CCOc2ccccc21 23053352 FMWHVPBVLAMBBL-IBGZPJMESA-N 349.455 4.572 0 40 EJAB O=C(c1ccc(-c2ccc(F)cc2)s1)N(Cc1ccco1)C1CC1 29270021 ZPMZLRMYBFMACH-UHFFFAOYSA-N 341.407 4.952 0 40 EJAB CN(C)c1ccc(CCCNC(=O)Nc2cccc3ccccc23)cc1 31664732 QPIHWBRWZOPHOR-UHFFFAOYSA-N 347.462 4.660 0 40 EJAB Cc1cccc(C)c1NC(=O)CNC(c1ccccc1)c1ccccc1 58163340 YCRFFXLQQHYYJW-UHFFFAOYSA-N 344.458 4.621 0 40 EJAB C[C@H]1CCCN(C(=O)c2ccc(SCc3cccnc3)cc2)CC1 62928044 TZJUVJUQAYSLHQ-INIZCTEOSA-N 340.492 4.636 0 40 EJAB O=C(Nc1ccccc1N1CCCC1)[C@@H]1C[C@@H]1c1cccc(Cl)c1 64384033 ZDLWMMOJQWNNMU-IAGOWNOFSA-N 340.854 4.682 0 40 EJAB COc1cccc([C@@H]2CCCN2C(=O)Nc2ccc3[nH]ccc3c2)c1 71803343 DTSLPTSTZRJSHT-IBGZPJMESA-N 335.407 4.546 0 40 EJAB CCc1ccc([C@@H](C)NC(=O)COc2cc(C)ccc2C(C)C)cc1 78457895 OGQZFBWKBHWXDP-QGZVFWFLSA-N 339.479 4.937 0 40 EJAB CC(C)Cn1ccnc1CN[C@@H](C)c1ccc(OC(C)(C)C)cc1 95943441 BWKVSXJAFUBJRM-INIZCTEOSA-N 329.488 4.567 0 40 EJAB O=C(CCSCc1ccccc1)Nc1ccc(N2CCCC2)cc1 224919673 QKRRUANECYSUCM-UHFFFAOYSA-N 340.492 4.549 0 40 EJAB O=C(O)[C@H](Cc1cccc2ccccc12)Oc1ccc(Cl)cc1 225048169 ZUWJPUNSTHVTSV-SFHVURJKSA-N 326.779 4.568 0 40 EJAB Cc1ccc(-n2nc(C(F)(F)F)c(-c3ccccc3C)c2N)cc1 225178206 UMSDLELPMUEMLJ-UHFFFAOYSA-N 331.341 4.757 0 40 EJAB COC(=O)c1ccc(Nc2ccc(Oc3ccccc3)cc2)c(N)c1 225431871 ZSUWBAUMYIRMGZ-UHFFFAOYSA-N 334.375 4.591 0 40 EJAB CC[C@H](C)Oc1ccc(NC(=O)[C@](C)(CC)OC)c2ccccc12 225792108 RPWOXVWYXQYWAQ-XOBRGWDASA-N 329.440 4.771 0 40 EJAB CC1(NC(=S)Nc2ccc(Br)cc2F)CCCCC1 225861307 PQSGLDHCQUOVLL-UHFFFAOYSA-N 345.281 4.597 0 40 EJAB Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)Oc1cccc2c1CCCC2 225866912 SHTZVQQFOAJYQC-SJORKVTESA-N 337.463 4.519 0 40 EJAB Cc1cccc(CSc2nnc(-c3ccncc3)n2CC(C)C)c1 409099662 RTMKGYOBIHYLRP-UHFFFAOYSA-N 338.480 4.597 0 40 EJAB Cc1ccc(S(=O)(=O)N(c2ccccc2)C2CCCCC2)cc1 345680 ZFVAVUMMGLCJNV-UHFFFAOYSA-N 329.465 4.523 0 40 EJAB O=C(c1ccc(C(F)(F)F)cc1)c1ccccc1CN1CCCCC1 2515521 AQMRCFJQMKARNI-UHFFFAOYSA-N 347.380 4.922 0 40 EJAB O=C(NCc1ccco1)c1ccccc1-c1ccc(C(F)(F)F)cc1 2651146 XUXFADYSXCDFRJ-UHFFFAOYSA-N 345.320 4.895 0 40 EJAB Cc1nc2ccc(NC(=O)CSc3ccc(Cl)cc3)cc2s1 4496553 PZGQXYBSHFKYFE-UHFFFAOYSA-N 348.880 4.989 0 40 EJAB C[C@H](Oc1ccccc1)C(=O)Nc1ccccc1Oc1ccccc1 4666624 PBEYDLIUPWDCLX-INIZCTEOSA-N 333.387 4.885 0 40 EJAB Cc1ccc(C(=O)N(C)[C@H](C)c2nc3ccccc3s2)cc1F 7117254 JFXDZOAJAAWHHT-GFCCVEGCSA-N 328.412 4.577 0 40 EJAB CSc1ccccc1NC(=O)Cc1c(Cl)cccc1Cl 7264865 ICNMOTKMDWVIEF-UHFFFAOYSA-N 326.248 4.897 0 40 EJAB CSc1ncccc1C(=O)N[C@H](Cc1ccccc1)c1ccccc1 7987552 PFJFZSHWNBDOBF-LJQANCHMSA-N 348.471 4.517 0 40 EJAB Cc1ccc2nc(-c3ccccc3)c(NC(=O)[C@H]3CC=CCC3)n2c1 7990633 CMQZCCTVJHEXFW-KRWDZBQOSA-N 331.419 4.605 0 40 EJAB CCc1ccc(NC(=S)N[C@@H](CC)c2ccc(OC)cc2)cc1 8085590 XXLOVXMMJKBNMY-SFHVURJKSA-N 328.481 4.695 0 40 EJAB Cc1ccc(C)n1N(Cc1ccccc1)C(=O)c1ccc(Cl)cc1 8475551 PPFSHYJURUYHGF-UHFFFAOYSA-N 338.838 4.737 0 40 EJAB Cc1ccc(-c2onc3ccc(C(=O)NCc4ccccc4)cc23)cc1 9528949 HJDKGWQIAUVPNL-UHFFFAOYSA-N 342.398 4.733 0 40 EJAB COc1ccccc1[C@@H](C)NC(=O)N[C@@H](C)c1cc2ccccc2o1 10275108 QVVLXKDZMQBKNR-KGLIPLIRSA-N 338.407 4.563 0 40 EJAB Cc1ccc(CSc2nnc(COc3ccc(Cl)cc3)o2)cc1 12249660 HIOSELXYZAQFLL-UHFFFAOYSA-N 346.839 4.903 0 40 EJAB S=C(Nc1ccc(Br)c(Cl)c1)NC1CCCCC1 13840872 YBRHROGHCGYRQH-UHFFFAOYSA-N 347.709 4.722 0 40 EJAB O=C(CCc1c[nH]c2ccccc12)N1CCC[C@H]1c1ccc(F)cc1 25535008 KDROTUYMCYBIEZ-FQEVSTJZSA-N 336.410 4.603 0 40 EJAB Cc1ccc(-c2noc(CN(C)[C@@H](C)c3cc4ccccc4o3)n2)cc1 30005598 ZKUFMGCWHBIBRU-HNNXBMFYSA-N 347.418 4.984 0 40 EJAB O=C(Cc1cccs1)NCc1ccc(-c2ccc(Cl)cc2)o1 32524559 CPWRBUSIQORMRB-UHFFFAOYSA-N 331.824 4.520 0 40 EJAB Cc1cccc(C)c1NC(=O)c1ccc(CN2CCC[C@H](C)C2)cc1 38833496 IBVLBBLDMRFUFE-INIZCTEOSA-N 336.479 4.788 0 40 EJAB C[C@H](c1nc(C(C)(C)C)no1)N(C)CC12CC3CC(CC(C3)C1)C2 40057091 PCEKUMCEQMRZMI-XXWNAHEMSA-N 331.504 4.576 0 40 EJAB Cc1ccc2c(c1)CCCN2C(=O)c1cc2ccc(F)cc2nc1C 48326347 WUPNLAMZGHCCJG-UHFFFAOYSA-N 334.394 4.584 0 40 EJAB Cc1ccc(C)c([C@@H](C)NC(=O)[C@@H](C)Oc2ccccc2Cl)c1 59351477 YUGVQAGPFAIUBO-HUUCEWRRSA-N 331.843 4.602 0 40 EJAB CC(=O)Nc1cccc(C(=O)Nc2ccc(Nc3ccccc3)cc2)c1 65578332 FODRJUMKTPHZAM-UHFFFAOYSA-N 345.402 4.641 0 40 EJAB C[C@@H](CNC(=O)C1(c2ccc(Cl)cc2)CCC1)c1ccccc1 69295576 ZBAFJIPZLPLIJS-HNNXBMFYSA-N 327.855 4.682 0 40 EJAB Cc1cc(C)c(NC(=O)c2csc(-c3ccsc3)n2)c(Cl)n1 78000722 HVFAZQKZKQRCCU-UHFFFAOYSA-N 349.868 4.789 0 40 EJAB Fc1ccc(-c2cc(F)ccc2NCc2nnsc2Cl)cc1 89104774 RHTWEZWVMXDNPF-UHFFFAOYSA-N 337.782 4.749 0 40 EJAB Brc1ccc(Br)c(OCc2ccccc2)c1 90411182 MYBIFYIKNYMRPK-UHFFFAOYSA-N 342.030 4.791 0 40 EJAB in-vitro FC(F)(F)Oc1cc(OCc2ccccc2)ccc1Br 90549649 UPSMYOUTOBWECX-UHFFFAOYSA-N 347.130 4.927 0 40 EJAB CC(=O)[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@H]4O)[C@@H]3CC[C@@]2(C)C1 118915090 HAAMJEYGPJBHCI-JHDMHPMHSA-N 332.528 4.985 0 40 EJAB Cc1nc(Cc2ccccc2)ncc1C(=O)Nc1ccc(C(C)C)cc1 225793147 DWASEPRAEUPSND-UHFFFAOYSA-N 345.446 4.752 0 40 EJAB CCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCC)c2ncccc12 225886324 JZKPYHYAIQZFGK-HXUWFJFHSA-N 344.455 4.557 0 40 EJAB Cc1cccc2cc(C(=O)Nc3ccc(Cl)cc3Cl)c(=O)oc12 226034702 MACLWFLISIFZIB-UHFFFAOYSA-N 348.185 4.661 0 40 EJAB CC(C)c1ccc(C(=O)Nc2cc(Cl)c3nc(N)sc3c2)cc1 226309419 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O=C(O)c1ccccc1Sc1cc(Cl)nnc1-c1ccccc1 343973 YWDXTCDUQOKBKI-UHFFFAOYSA-N 342.807 4.646 0 40 EJAB O=C(Nc1nc2ccc(Cl)cc2s1)[C@H]1C[C@@H]1c1ccccc1 999392 OXNAXRHJNUMJHJ-OLZOCXBDSA-N 328.824 4.692 0 40 EJAB CC(C)CN1[C@H]2CCC[C@H]1CC(NC(=O)Nc1ccc(Cl)cc1)C2 1369485 PCNLGMFHADPQSV-ROUUACIJSA-N 349.906 4.503 0 40 EJAB O=C(Nc1nc2ccc(Oc3ccccc3)cc2s1)c1ccccn1 2627722 VHDVFUFDKJRXJX-UHFFFAOYSA-N 347.399 4.736 0 40 EJAB C[C@@H]1CCc2nc3ccccc3c(C(=O)Nc3ccccc3F)c2C1 2632316 DSNQZIDDOFBCMF-CYBMUJFWSA-N 334.394 4.751 0 40 EJAB Cc1ccc([C@H](NC(=O)c2ccccc2)C(Cl)(Cl)Cl)cc1 3138927 ROQQUOYFMATYNX-AWEZNQCLSA-N 342.653 4.836 0 40 EJAB S=C(Nc1cccc(Cl)c1)N1CCC(Cc2ccccc2)CC1 3293148 FNOGEVXKWFAOTG-UHFFFAOYSA-N 344.911 4.992 0 40 EJAB Cc1cc(C)nc(NC(=O)N2c3ccccc3Sc3ccccc32)n1 5960965 NDIUYTAJYPYQSH-UHFFFAOYSA-N 348.431 4.928 0 40 EJAB Cc1cccc(CN2C(=O)S/C(=C/c3sccc3C)C2=O)c1 6478698 YWNMEHMDQGCHNT-OQLLNIDSSA-N 329.446 4.601 0 40 EJAB Cc1ccc2c(c1)Cc1c(O)nc(-c3ccc(C(C)C)cc3)nc1O2 6748474 KFTBLALHROMSBH-UHFFFAOYSA-N 332.403 4.978 0 40 EJAB Cc1cc(OCCCC(=O)Nc2ccc3c(c2)CCC3)ccc1Cl 7779103 AEOOTLDYZQWIFB-UHFFFAOYSA-N 343.854 4.935 0 40 EJAB COc1ccc(C)cc1NC(=O)c1ccccc1OCc1ccccc1 7971440 JQAYZDWSSJRBGD-UHFFFAOYSA-N 347.414 4.835 0 40 EJAB CCCC(=O)Nc1ccc(-c2csc(-c3ccc(O)cc3)n2)cc1 8297644 XUSFVUYDBBMFMQ-UHFFFAOYSA-N 338.432 4.921 0 40 EJAB C[C@@H](Nc1ncnc2c1cnn2-c1cccc(Cl)c1)c1ccccc1 8583054 QTLPEXDDJSVWCZ-CYBMUJFWSA-N 349.825 4.642 0 40 EJAB CCCOc1ccccc1NC(=O)c1ccc2c3c(cccc13)CC2 8708102 ZJYJDKUFDXWBTN-UHFFFAOYSA-N 331.415 4.980 0 40 EJAB Cc1ccc(C(C)C)c(OCC(=O)N2CCc3sccc3[C@@H]2C)c1 10695451 BVEUAIZOEXDKKP-HNNXBMFYSA-N 343.492 4.705 0 40 EJAB Clc1cccc(CSc2nnc(COc3ccccc3)o2)c1 12249456 DBGPYMINGMRVFG-UHFFFAOYSA-N 332.812 4.594 0 40 EJAB C[C@@H](NC(=O)CCc1c[nH]c2ccccc12)c1cc2ccccc2o1 12736135 GSQJRORNBRYCID-CQSZACIVSA-N 332.403 4.724 0 40 EJAB O=C(O)c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 13084752 HBQHTQZDRKBATR-UHFFFAOYSA-N 331.582 4.924 0 40 EJAB Cc1cc(O[C@@H](C)C(=O)Nc2ccc(F)c(F)c2)cc(C)c1Cl 14401201 YXMKTVFZHNDFSD-NSHDSACASA-N 339.769 4.641 0 40 EJAB COc1ccc2c(c1)C[C@@H](C)C1=C2CC[C@@]2(C)C1=CC[C@@H]2OC(C)=O 16609728 VNZLWPUSAJFFMR-XOJPMGEXSA-N 338.447 4.703 0 40 EJAB Cc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 20038272 JUCWGJVGBWPJJS-IRXDYDNUSA-N 339.479 4.937 0 40 EJAB Clc1cccc(OCc2noc(-c3ccsc3)n2)c1Cl 31681002 GJLLRNSYIQCKGH-UHFFFAOYSA-N 327.192 4.684 0 40 EJAB C[C@@H]1CCC[C@@H](NC(=O)CCCc2ncc(-c3ccccc3)o2)[C@@H]1C 31727636 LTWZWGOPYMTSPH-JFIYKMOQSA-N 340.467 4.605 0 40 EJAB COCc1ccc(C(=O)N[C@@H](c2cccs2)C2CCCC2)cc1 32396802 GZISKJYBUOVTJW-GOSISDBHSA-N 329.465 4.556 0 40 EJAB Cc1nc(-c2cccc(NC(=O)c3ccc(Cl)cc3)c2)oc1C 33736240 AOZHKUGSCFJQDB-UHFFFAOYSA-N 326.783 4.864 0 40 EJAB Cc1ccccc1O[C@H](C)C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 38773034 PFJNIQZVOLMRBV-IAGOWNOFSA-N 339.479 4.937 0 40 EJAB COc1cc([C@H](C)NC(=O)[C@H]2CC=CCC2)ccc1OC1CCCC1 48340044 VENLRASEXVWVPZ-HOTGVXAUSA-N 343.467 4.550 0 40 EJAB Fc1ccc(-c2csc(Cc3nc(-c4ccccc4)no3)n2)cc1 48990130 WFTNHDUVJMAWCG-UHFFFAOYSA-N 337.379 4.590 0 40 EJAB Cc1cc(N)cc(-c2nc3cccc(Cc4ccccc4)c3o2)c1O 57352771 FWODEBPJQIPNGM-UHFFFAOYSA-N 330.387 4.682 0 40 EJAB C[C@H](NCC(=O)N(C1CCCCC1)C1CCCCC1)c1ccccc1 58447280 OQLDJJSYOMHANO-SFHVURJKSA-N 342.527 4.831 0 40 EJAB O=C(N[C@@H](c1ccccc1)C(F)(F)F)c1ccc2ccccc2c1 59301581 YKICNGKITLABCP-KRWDZBQOSA-N 329.321 4.873 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1C 59351194 KOZDZMFSMJSPSX-MRXNPFEDSA-N 345.870 4.830 0 40 EJAB CCN(CC(=O)Nc1ccccc1Cc1ccccc1)c1ccccc1 68822816 ASDDAQPQQAYOPN-UHFFFAOYSA-N 344.458 4.742 0 40 EJAB Cc1cccc2c1N[C@H](c1ccc(F)c(-c3cccs3)c1)NC2=O 70020157 GQDCSMDFJPQCON-SFHVURJKSA-N 338.407 4.717 0 40 EJAB CC1=Nc2c(c(O)nn2C(C)C)[C@@H](c2cccc3cccnc23)S1 71284609 CGBNMAYMFPMUPT-MRXNPFEDSA-N 338.436 4.604 0 40 EJAB Fc1ccc(-c2nccnc2[C@@H]2CCCN(C3CCCCC3)C2)cc1 72358332 WARDIGCXGGAHAL-QGZVFWFLSA-N 339.458 4.795 0 40 EJAB Cc1ccccc1NC(=O)N1CCC(CSCc2ccco2)CC1 85472500 QDPWEYVADHEJII-UHFFFAOYSA-N 344.480 4.765 0 40 EJAB Cc1nc(CN[C@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)no1 86202488 XUMZIONZSJLPHG-QGZVFWFLSA-N 348.233 4.564 0 40 EJAB Fc1ccc(COc2ccc(Cl)cc2Br)c(F)c1 95915321 OAQCDSWLDDHJAD-UHFFFAOYSA-N 333.559 4.960 0 40 EJAB Cc1cc(C)cc(NC(=O)c2cccc(Nc3nc(C)cc(C)n3)c2)c1 170580124 KEJXWFGEEJPEQO-UHFFFAOYSA-N 346.434 4.706 0 40 EJAB O=C(Cc1cccs1)N[C@@H]1CC2(CCCCC2)Oc2ccccc21 225366798 OUDXAJNUJQTMFX-QGZVFWFLSA-N 341.476 4.634 0 40 EJAB CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCC)c(Cl)c1 225741176 KNTZXGNBVRXADO-KRWDZBQOSA-N 327.852 4.663 0 40 EJAB O=C(CCc1ccccc1)Nc1nc(-c2ccc(F)cc2)cs1 71650 ACDOGGJPIGDBRD-UHFFFAOYSA-N 326.396 4.521 0 40 EJAB CCOc1cccc(C(=O)Nc2nc3ccc(Cl)cc3s2)c1 342220 JZLPVNHDVNDOIU-UHFFFAOYSA-N 332.812 4.601 0 40 EJAB Cc1ccc2c(c1)[C@H](OC1CCN(C)CC1)c1ccccc1CS2 347745 NJIORWAXOOZLBW-OAQYLSRUSA-N 339.504 4.801 0 40 EJAB O=S1(=O)CC[C@@H](SCc2ccc(Cl)cc2)c2ccsc21 1398530 LEQAXNTTYOGPGY-CYBMUJFWSA-N 344.910 4.553 0 40 EJAB CSC1=Nc2ccccc2N(C)c2c1c(-c1ccccc1)nn2C 1856462 WZMNFVIYQRHNTJ-UHFFFAOYSA-N 334.448 4.610 0 40 EJAB CC1(C)COC(CCCC(=O)c2cccc(Cl)c2Cl)OC1 2518140 UCXWXHFXFUOERU-UHFFFAOYSA-N 331.239 4.746 0 40 EJAB O=Cc1ccc(OC(=O)OCC2c3ccccc3-c3ccccc32)cc1 2575694 UNHZGORWGWFDTG-UHFFFAOYSA-N 344.366 4.827 0 40 EJAB O=C(COC(=O)c1ccccc1Nc1ccccc1)c1ccccc1F 3261950 FNGDGGXFJKBRBL-UHFFFAOYSA-N 349.361 4.609 0 40 EJAB C[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cccc4ccccc24)N3)C1 4543304 FJCFFPKEYQKCJE-BLVKFPJESA-N 348.471 4.880 0 40 EJAB CCC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccccc1Cl 4860105 INPFPAFMIHQCHI-GOSISDBHSA-N 326.827 4.736 0 40 EJAB COc1cc2cc(C(=O)Nc3ccc4ccccc4c3)[nH]c2cc1OC 5306042 IFMLICFRLQXKKQ-UHFFFAOYSA-N 346.386 4.591 0 40 EJAB CCC[C@H](C(=O)Nc1cc(OC)c(OC)cc1C)c1ccccc1 6258883 YNCZQLJWNGJNTR-INIZCTEOSA-N 327.424 4.535 0 40 EJAB COc1ccc(C)cc1NC(=O)Cc1ccc(-c2ccccc2)cc1 6788613 LZVWFKXOQWMZSA-UHFFFAOYSA-N 331.415 4.852 0 40 EJAB Cc1ccccc1/C=C1/S/C(=N/c2cccc(Cl)c2C)NC1=O 8570764 SYMAJVBTDGKWPO-MHWRWJLKSA-N 342.851 4.848 0 40 EJAB CCCCN(CCCC)Cc1c(C)nc2ccc(OC)cc2c1O 8700903 YNBAPWJEYVAXCO-UHFFFAOYSA-N 330.472 4.660 0 40 EJAB O=C(c1ccccc1CCc1ccccc1)N1CCc2ccccc21 10537282 MOAFEHRUWDLBEO-UHFFFAOYSA-N 327.427 4.675 0 40 EJAB O=C(/C=C/c1cc(Cl)ccc1Cl)N1CCc2sccc2C1 10924574 REZRFTQFRSJVIL-DAFODLJHSA-N 338.259 4.653 0 40 EJAB CC(C)c1ccc(OCCCCn2c(C=O)nc3ccccc32)cc1 11567991 MUFCUJXTRDQVSY-UHFFFAOYSA-N 336.435 4.831 0 40 EJAB CCOc1ccc2oc(C)c(C(=O)Nc3cc(C)ccc3OC)c2c1 11866436 GZHDFUNGMBBDNP-UHFFFAOYSA-N 339.391 4.709 0 40 EJAB Cc1cc2c(cc1Cl)C=CC1(CCN(C(=O)C3CCCC3)CC1)O2 12187966 YJEMHJIHUJUZIP-UHFFFAOYSA-N 345.870 4.605 0 40 EJAB CCSc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1 15225553 WPWVVEGNMLBCCR-UHFFFAOYSA-N 343.473 4.753 0 40 EJAB Cc1ccc(CSc2nccn3nc(-c4ccccc4)cc23)cc1 16842863 GFVRGDGSFFXCMK-UHFFFAOYSA-N 331.444 4.997 0 40 EJAB Cc1ccc([C@H](Cc2ccsc2)NCc2ccc(F)c(F)c2)nc1 19215470 ALNRCXVLPUNXRI-IBGZPJMESA-N 344.430 4.803 0 40 EJAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2cccc(OC(C)C)c2)c1 20104426 ZEHLUEJFPFVLAW-QGZVFWFLSA-N 341.451 4.805 0 40 EJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H]1CCCc2ccccc21 20481453 GNBVUQQNVVXILH-LEWJYISDSA-N 337.463 4.655 0 40 EJAB CC(C)C[C@@H](NC(=O)CCCOc1ccccc1)c1ccccc1 20487696 HXSYJYXBBUPSBI-HXUWFJFHSA-N 325.452 4.749 0 40 EJAB O=C(Nc1ccccc1F)c1cccnc1Nc1ccccc1Cl 22072841 NURXTKDFMNXODT-UHFFFAOYSA-N 341.773 4.870 0 40 EJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cccc(OC(C)C)c1 22529114 HALNRUSQSIBXGO-HXUWFJFHSA-N 341.451 4.887 0 40 EJAB O=C(c1ccc(Cl)o1)N1CCCc2cc(C(F)(F)F)ccc21 24470673 POHBXZROMMRUNW-UHFFFAOYSA-N 329.705 4.545 0 40 EJAB CCCOc1ccccc1-c1n[nH]c(SCc2ccccc2)n1 26505488 QLWPYRZWSRJVCS-UHFFFAOYSA-N 325.437 4.553 0 40 EJAB Nc1c(Cl)cc(NC(=O)Cc2ccc3c(c2)CCCC3)cc1Cl 27994803 UKEYGLOHDPCMCQ-UHFFFAOYSA-N 349.261 4.636 0 40 EJAB COc1ccc(C(=O)Nc2ccc(Nc3ccccc3)cc2)cc1F 32819016 MCWWYLGMRYBRPC-UHFFFAOYSA-N 336.366 4.830 0 40 EJAB CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(=O)Cc1cccc(C(F)(F)F)c1)C2 36412972 FFEBWNABOOCVNZ-SIIHOXLZSA-N 339.401 4.579 0 40 EJAB CCC(C)(C)c1ccc(OCC2CCNCC2)c(Br)c1 42775270 DPPFIFHWGGASMO-UHFFFAOYSA-N 340.305 4.515 0 40 EJAB CC[C@@H](NC(=O)[C@H](C)c1c(C)noc1C)C12CC3CC(CC(C3)C1)C2 58419532 SOMGHNAOCKBOGS-GCBATEGVSA-N 344.499 4.506 0 40 EJAB Clc1ccc([C@@H](c2ccccc2)n2nnc(-c3ccccc3)n2)cc1 59459363 LUCJAASIACSHSJ-LJQANCHMSA-N 346.821 4.631 0 40 EJAB COc1ccc(-c2cnc(CN[C@H](C)c3ccc(Cl)cc3)o2)cc1 60105727 XSINGSLCYKLSIT-CYBMUJFWSA-N 342.826 4.854 0 40 EJAB CCc1cccc(C)c1NC(=O)N(Cc1ccccc1)Cc1cc[nH]n1 70036621 JKGADNYLHVOGLU-UHFFFAOYSA-N 348.450 4.515 0 40 EJAB CCN1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 72215494 MLEAOHRODXZGBG-KRWDZBQOSA-N 345.487 4.532 0 40 EJAB O=C(CCc1cccc(F)c1)N1C[C@H]2CCCC[C@@]21c1ccccc1 79103430 IDKSESRUUSBINI-DENIHFKCSA-N 337.438 4.686 0 40 EJAB S=C(Nc1ccc2c(c1)CCC2)N[C@@H]1CCc2c(Cl)cccc21 84445475 HIZFRAXEBNKESG-GOSISDBHSA-N 342.895 4.803 0 40 EJAB Oc1ccc(-c2csc(-c3ccc(C(F)(F)F)cc3)n2)c(O)c1 89793852 SINVFWYIIAHANM-UHFFFAOYSA-N 337.322 4.907 0 40 EJAB Cc1ccc(C2=C[C@@H](c3cccc4ccccc34)n3ncnc3N2)cc1 102407155 PWBQCHULAMYKQV-NRFANRHFSA-N 338.414 4.796 0 40 EJAB Cc1cc(C)c([C@H](C)NC(=O)CCSc2ccccc2)cc1C 223399691 IGMPHXVCJXMEIG-KRWDZBQOSA-N 327.493 4.971 0 40 EJAB CCN(c1cccc(Cl)c1)S(=O)(=O)c1ccc2ccccc2c1 225045450 DTECYTPBOILVAB-UHFFFAOYSA-N 345.851 4.708 0 40 EJAB O=C(O)[C@@H](Cc1ccc(Cl)cc1)Oc1ccc2ccccc2c1 225061832 MTTIYMJKYFYLFK-GOSISDBHSA-N 326.779 4.568 0 40 EJAB CC(C)Oc1cccc(NC(=S)NCCCc2ccc(F)cc2)c1 225548346 KHZCYHRONVGONN-UHFFFAOYSA-N 346.471 4.532 0 40 EJAB COc1cc2c(cc1OC)[C@@H](CCc1ccc(Cl)cc1)N(C)CC2 2038844 YBCPYHQFUMNOJG-GOSISDBHSA-N 345.870 4.519 0 40 EJAB in-man CCCCCCSc1nnc2c(n1)OC(C)(C)Nc1ccccc1-2 2073881 JFLRKXOFBHNXLJ-UHFFFAOYSA-N 344.484 4.751 0 40 EJAB CCC(CC)n1nc(O)c2c1N=C(O)CS[C@H]2c1ccc(C)cc1 5642598 FMKHFVBCPACZHA-INIZCTEOSA-N 345.468 4.682 0 40 EJAB c1csc(-c2n[nH]c(SCc3cc(-c4cccs4)on3)n2)c1 7725891 URMMOWHAOVRTET-UHFFFAOYSA-N 346.462 4.542 0 40 EJAB CCCN(CCC)Cc1c(C)nc2cc(C(F)(F)F)ccc2c1O 8717344 RIPGCNBXMXRTRE-UHFFFAOYSA-N 340.389 4.890 0 40 EJAB CC[C@@H]1CCCCN1Cc1c(C)nc2c(OC)ccc(Cl)c2c1O 8717812 MBLHIKGDVPBSKF-CYBMUJFWSA-N 348.874 4.675 0 40 EJAB Cc1csc(N2N=C(c3cccs3)C[C@@H]2c2ccccc2)n1 9305702 FSYDEUXWXUTLNM-OAHLLOKOSA-N 325.462 4.869 0 40 EJAB Cc1occc1C(=O)Nc1nc(-c2ccc(F)c(F)c2)c(C)s1 9314789 YSUPTJOBFOAWQX-UHFFFAOYSA-N 334.347 4.550 0 40 EJAB O=C(Nc1ccccc1)[C@@H]1CCCN1Cc1ccc(Cl)cc1Cl 12813341 QHNWQDJXRWVLRK-KRWDZBQOSA-N 349.261 4.597 0 40 EJAB Cc1nc(-c2ccccc2)ccc1C(=O)Nc1cccc2cccnc12 18186177 RUGPRFVVMUUZGT-UHFFFAOYSA-N 339.398 4.858 0 40 EJAB Nc1c(Br)cc2c(oc3ccccc32)c1Br 20134777 DMFNPDSYVLWUSV-UHFFFAOYSA-N 341.002 4.693 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)COc2cccc3ccccc23)c(C)c1 20456966 SAAPEWRDPNCWJE-QGZVFWFLSA-N 333.431 4.713 0 40 EJAB O=C(c1cc2c(s1)CCCCCC2)N1CCC[C@@H]1c1ccncc1 25512199 GVZDFOOGYKVCLM-QGZVFWFLSA-N 340.492 4.779 0 40 EJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H](C)c1ccc(C)cc1C 44839194 SMWOPRXXKCGPRJ-WIYYLYMNSA-N 339.479 4.955 0 40 EJAB COc1cccc(CSc2nccn3nc(-c4ccccc4)cc23)c1 48990897 DKJOQRRIYKYICP-UHFFFAOYSA-N 347.443 4.697 0 40 EJAB CCN(Cc1ncc(-c2ccccc2)o1)Cc1c(F)cccc1F 59409773 NLCQYPUMSBQLHL-UHFFFAOYSA-N 328.362 4.642 0 40 EJAB CCOc1ccc(OCC)c(NC(=S)Nc2cc(C)ccc2F)c1 65701695 AEENKXAVPDPEGE-UHFFFAOYSA-N 348.443 4.740 0 40 EJAB CC1=Nc2c(c(C)nn2Cc2ccccc2)[C@H](c2ccc(O)cc2)S1 72406392 WJFWIVPXRLWTCH-IBGZPJMESA-N 349.459 4.832 0 40 EJAB CCc1cccc(CC)c1NC(=O)COc1ccc2c(c1)CCCC2 96586335 RJJGJBAJUJUVNL-UHFFFAOYSA-N 337.463 4.708 0 40 EJAB Cc1nn2c(O)cc(-c3ccccc3)nc2c1-c1ccc(Cl)cc1 100756902 WBPCUNIKEXLCCF-UHFFFAOYSA-N 335.794 4.731 0 40 EJAB O=Cc1cc(Cl)c(OCc2cccc(F)c2)c(Br)c1 216910477 SDODDPDSNYGITC-UHFFFAOYSA-N 343.579 4.633 0 40 EJAB CC(C)(Cc1ccccc1)NC(=O)CCc1cccc2ccccc12 224027045 ZVMPKXBRAFUXOG-UHFFFAOYSA-N 331.459 4.910 0 40 EJAB O=C(O)[C@H](Cc1ccc(Cl)cc1Cl)Oc1ccccc1Cl 225085055 UTWVBYVIKFHRTN-AWEZNQCLSA-N 345.609 4.722 0 40 EJAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1-c1ccccc1 225594028 UQMUNVORDUSTBI-UHFFFAOYSA-N 341.407 4.602 0 40 EJAB CCCOC1(C(=O)Nc2ccc(OCC)c(Cl)c2)CCCCC1 225658752 QTMPWZKYZJKICW-UHFFFAOYSA-N 339.863 4.807 0 40 EJAB CCO[C@](C)(CC)C(=O)Nc1ccc(OCc2ccccc2)c(C)c1 225686295 NFRHLJIOVNANAK-OAQYLSRUSA-N 341.451 4.718 0 40 EJAB Fc1cccc(F)c1NC(=S)NC1(c2cccs2)CCCC1 225860359 RYWXGPOCOCDYKN-UHFFFAOYSA-N 338.448 4.782 0 40 EJAB CC1=Nc2c(C)cccc2[C@@H](OCC(=O)Nc2ccc(C)c(C)c2)C1 227148459 JQHSYTAIBZRMTJ-IBGZPJMESA-N 336.435 4.804 0 40 EJAB O=C(O)CS[C@@H]1Cc2cc(Cl)ccc2Sc2ccccc21 346597 KJHPPRXFYCSKDF-OAHLLOKOSA-N 336.865 4.906 0 40 EJAB O=C(Oc1ccc2c(Br)cccc2c1)c1ccc(F)cc1 365029 BZBBLGGAJGSGOB-UHFFFAOYSA-N 345.167 4.961 0 40 EJAB CCCOC(=O)c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1 1787738 MLWFUSYUVBQBMB-UHFFFAOYSA-N 332.787 4.551 0 40 EJAB O=c1cc(-c2cc3cc(Cl)ccc3o2)c2cc3c(cc2o1)OCO3 2137660 FWIHJRABBUAFHA-UHFFFAOYSA-N 340.718 4.588 0 40 EJAB biogenic Clc1ccc(CCNc2ncnc3sc4c(c23)CCCC4)cc1 2661575 YVOSWCFMURCZGO-UHFFFAOYSA-N 343.883 4.878 0 40 EJAB Cc1ccc([C@H]2C=C(c3cccnc3)Nc3nc4ccccc4n32)cc1 2914853 DVOXPFWFPRDRAF-OAQYLSRUSA-N 338.414 4.796 0 40 EJAB Cc1ccccc1C(=O)Nc1ccc(-c2nc3cccnc3s2)cc1 2961258 WKHPRNRTOCZVGQ-UHFFFAOYSA-N 345.427 4.919 0 40 EJAB Cc1ccc(Nc2nnc(SCC(=O)C(C)(C)C)s2)cc1C 3290400 BTLQHYQMYNFPAO-UHFFFAOYSA-N 335.498 4.606 0 40 EJAB CC(C)Cc1ccc([C@@H](C)NC(=O)Cc2c[nH]c3ccccc23)cc1 3333495 OCRYCWNZZLMVRV-MRXNPFEDSA-N 334.463 4.786 0 40 EJAB COc1ccccc1-n1cc(-c2ccccc2)c2c(SC)ncnc21 3658706 SNPBDIVHMUAVNX-UHFFFAOYSA-N 347.443 4.818 0 40 EJAB COc1ccc2[nH]c(SCC(=O)c3cccc4ccccc34)nc2c1 4613379 DZTCEKYWHSTMRK-UHFFFAOYSA-N 348.427 4.700 0 40 EJAB C[C@@H](CCc1ccccc1)NC(=O)[C@H](C)Sc1ccc(Cl)cc1 6123991 KXFGGYZCZBJGCD-GJZGRUSLSA-N 347.911 4.958 0 40 EJAB O=C(/C=C/c1ccccc1F)NCCC12CC3CC(CC(C3)C1)C2 6884384 VGDQIRWEQVCXKH-AATRIKPKSA-N 327.443 4.562 0 40 EJAB C[C@H](Sc1ccc2ccccc2c1)c1nc2ccccc2c(=O)[nH]1 7487831 KJFNHXYODURLJN-ZDUSSCGKSA-N 332.428 4.930 0 40 EJAB CCCc1n[nH]c(=S)n1NCc1ccc(-c2cccc(Cl)c2)o1 7602204 VUZDSFCFXYOGBX-UHFFFAOYSA-N 348.859 4.550 0 40 EJAB CC(=O)c1cccc(NC(=O)c2sc(-c3ccccc3)nc2C)c1 7996023 YMUHRVJRZCRCKO-UHFFFAOYSA-N 336.416 4.573 0 40 EJAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(OC(C)C)cc1 8569182 OKBZYXDEIMKQAL-GOSISDBHSA-N 327.424 4.578 0 40 EJAB Cc1ccc(CNc2nc(C)c(C(=O)Nc3ccccc3)s2)cc1 9050268 BRHOKBIZADBXDM-UHFFFAOYSA-N 337.448 4.624 0 40 EJAB Cc1cc2ncn(-c3nc(C(F)(F)F)nc4ccccc34)c2cc1C 12543811 ZIRMFSOLOUPASB-UHFFFAOYSA-N 342.324 4.604 0 40 EJAB Cc1ccc([C@@H]2CC(=O)c3c(C)nn(-c4ccc(C)cc4)c3C2)cc1 20632980 LUMRGPMGJWDYIX-SFHVURJKSA-N 330.431 4.710 0 40 EJAB CCOc1ccccc1Nc1nnc(SC/C=C/Cl)s1 20819145 LAMHUVQIXKBVDV-VMPITWQZSA-N 327.862 4.525 0 40 EJAB COc1ccccc1CN(Cc1cccs1)C(=O)c1ccc(C)o1 30476784 QPOHVAAVODWNBT-UHFFFAOYSA-N 341.432 4.501 0 40 EJAB C[C@H]1CCC[C@@H](NC(=O)c2cccc(OCc3ccccc3)c2)[C@@H]1C 33028637 DJXJETVHGPUZGE-CSODHUTKSA-N 337.463 4.820 0 40 EJAB Cc1ccc(-c2noc(-c3cc(-c4cc(C)ccc4C)n[nH]3)n2)cc1 35504185 PAQICYONTOVTJW-UHFFFAOYSA-N 330.391 4.719 0 40 EJAB Cc1ccc2nc(NC(=O)c3c(C)noc3-c3ccccc3)sc2c1 35671383 NBFBSZGQVRXQGL-UHFFFAOYSA-N 349.415 4.820 0 40 EJAB Cc1ccc(C)c([C@H](C)NC(=O)[C@H](C)Oc2cccc(Cl)c2)c1 38754901 MTHWGEIGOPSXBK-GJZGRUSLSA-N 331.843 4.602 0 40 EJAB COc1ccc(F)cc1-c1csc(NC(=O)c2ccc(C)s2)n1 40111269 MAXGLASGLMPESE-UHFFFAOYSA-N 348.424 4.580 0 40 EJAB C[C@H](Sc1ncccn1)c1cccc(NC(=O)c2ccccc2)c1 53336845 AWYJQGPTOCKSAV-AWEZNQCLSA-N 335.432 4.582 0 40 EJAB O=C(Nc1cccc2ccccc12)N1CCC(c2ccc(O)cc2)CC1 55101924 FHOCCCPHRDAVSD-UHFFFAOYSA-N 346.430 4.957 0 40 EJAB CC1=Nc2c(c(O)nn2C2CCCCC2)[C@H](c2ccc(O)cc2)S1 71285089 PQDVMMYRHNANKD-INIZCTEOSA-N 343.452 4.686 0 40 EJAB Cc1cc([C@@H](O)c2ccc(Br)cc2)cc(C)c1Cl 95730357 FIJWWZOQYSUSQJ-HNNXBMFYSA-N 325.633 4.801 0 40 EJAB CN(C(=O)[C@@H]1C[C@H]2CC[C@H]1C2)[C@H](c1ccccc1)c1ccc(F)cc1 107329056 IYBCCUAWIHSZMS-GDVKCFTOSA-N 337.438 4.810 0 40 EJAB CC[C@H](NC(=O)/C=C/c1ccccc1OC)c1ccc2c(c1)CCCC2 223016468 LNFPGWHUEJIYAM-JLVIMGNISA-N 349.474 4.855 0 40 EJAB CCCCOCc1cc(C(=O)Nc2ccc(C)cc2C)ccc1OC 224435388 UTSGKPPKEGHELU-UHFFFAOYSA-N 341.451 4.881 0 40 EJAB CC(C)OC(=O)c1ccc(Nc2cccc(C(F)(F)F)c2)c(N)c1 225429117 YDNSVRVFTLXGOQ-UHFFFAOYSA-N 338.329 4.596 0 40 EJAB Cc1cccc([C@H](NC(=S)Nc2cccc(C)n2)c2ccccc2)c1 225701583 QOFUJOOBLFDPOM-HXUWFJFHSA-N 347.487 4.774 0 40 EJAB CCc1cccc(CC)c1NC(=O)c1snnc1-c1ccccc1 225760785 OVKZUCZMQBNZRP-UHFFFAOYSA-N 337.448 4.582 0 40 EJAB COc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)c(OC)c1 225931248 TZPRXLKBSLSBPJ-UHFFFAOYSA-N 339.435 4.544 0 40 EJAB CCc1cccc(C)c1NC(=O)c1cc2cccc(Cl)c2oc1=O 226039306 GODUSOXTTFHLJG-UHFFFAOYSA-N 341.794 4.570 0 40 EJAB FC(F)(F)Oc1ccccc1[C@@H]1C[C@@H]1c1nc(-c2ccccc2)no1 525503379 KPAPGXZZFWTEMJ-KBPBESRZSA-N 346.308 4.906 0 40 EJAB C[C@]1(C(=O)Nc2nccs2)CC2c3ccccc3C1c1ccccc12 36780 QYEYUIJWYCBKBG-NGICGMGXSA-N 346.455 4.769 0 40 EJAB CCN(CC)CCC[C@@H](C)Nc1cc(C)nc2cc(N(C)C)ccc12 2031906 HFCFNELXMSXBBS-MRXNPFEDSA-N 342.531 4.532 0 40 EJAB CCOc1ccc(NC(=O)c2oc3ccccc3c2C)cc1OCC 3341712 FFFJXJICUQYILM-UHFFFAOYSA-N 339.391 4.791 0 40 EJAB CCc1ccc(-c2csc(NC(=O)Cc3ccc(F)cc3)n2)cc1 5268286 HVWXJZAKIKUCEN-UHFFFAOYSA-N 340.423 4.693 0 40 EJAB CC(=O)c1ccc(NC(=O)COc2ccc(C)cc2C(C)(C)C)cc1 5542130 UMTLVDDELIDECH-UHFFFAOYSA-N 339.435 4.513 0 40 EJAB CCCCc1ccc2nc(NC(=O)c3ccc(OC)cc3)sc2c1 6398122 QZILKPZOMTVENM-UHFFFAOYSA-N 340.448 4.900 0 40 EJAB CCc1cccc(NC(=S)Nc2ccc(OC(F)(F)F)cc2)c1 7351093 CNKAIQGMEWXFMV-UHFFFAOYSA-N 340.370 4.957 0 40 EJAB COc1ccc2cc([C@H](C)C(=O)Nc3ccc(F)cc3F)ccc2c1 8076526 QDHZNRSDWWFXAS-LBPRGKRZSA-N 341.357 4.869 0 40 EJAB O=C(CCc1ccccc1Cl)Nc1nc2ccc(F)cc2s1 8231351 OLVBGGGOGXMWJN-UHFFFAOYSA-N 334.803 4.660 0 40 EJAB COc1cc(C)c(NC(=O)c2cc3c(s2)CCCCC3)cc1OC 8393316 ICVPGWHAJGUOJM-UHFFFAOYSA-N 345.464 4.595 0 40 EJAB Cc1ccsc1CN(C[C@H]1CCCO1)C(=O)c1ccc(Cl)cc1 8869404 HWQCCGSHXQZBHH-MRXNPFEDSA-N 349.883 4.531 0 40 EJAB Cc1ccc(NC(=O)c2ccc(COc3ccccc3)cc2)c(O)c1 9836486 NWMAABJKGPYUPL-UHFFFAOYSA-N 333.387 4.532 0 40 EJAB Clc1ccccc1-c1nc(CSc2nc3ccccc3o2)no1 12789337 OOLSNHYOKCJJQD-UHFFFAOYSA-N 343.795 4.824 0 40 EJAB Cc1ccc(-n2ncc3c(Nc4ccc(Cl)cc4)ncnc32)cc1 13369943 YTNNNTHUIUPZKQ-UHFFFAOYSA-N 335.798 4.521 0 40 EJAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)Nc1ccccc1F 14137771 LNIAWEVLNJYOTH-NSHDSACASA-N 329.400 4.660 0 40 EJAB CCC[C@H](C)NC(=O)c1ccc(OCCSc2ccccc2)cc1 20046748 TWGBUDGOIOZTMP-INIZCTEOSA-N 343.492 4.776 0 40 EJAB CCCCOc1cccc(C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)c1 20897339 KFOAWOZHMKAARX-ZDUSSCGKSA-N 344.480 4.699 0 40 EJAB c1ccc2oc(CN3CCC[C@H](c4nc5ccccc5s4)C3)nc2c1 23989918 ZIZIXFSOLVCOOO-AWEZNQCLSA-N 349.459 4.817 0 40 EJAB Cc1cccn2cc(-c3ccc(NC(=O)Cc4cccs4)cc3)nc12 35156292 GHSQTEDWPRYMGS-UHFFFAOYSA-N 347.443 4.552 0 40 EJAB Fc1cc(CNc2nc3ccccc3o2)ccc1Oc1cccnc1 63254859 VDYMHDXNLPWWQN-UHFFFAOYSA-N 335.338 4.766 0 40 EJAB COc1c(Cl)cccc1NC(=O)c1sccc1SC(F)F 71884224 GWJDTLCPIDEQEL-UHFFFAOYSA-N 349.811 4.977 0 40 EJAB C[C@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1nc2c(s1)CCCC2 72280711 UILWFICANDANOM-LLVKDONJSA-N 349.887 4.900 0 40 EJAB CC(C)N1CCC[C@@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 72358409 XWOWUMJXYSIURX-OAHLLOKOSA-N 349.400 4.750 0 40 EJAB O=C(CCOc1ccc2ccccc2c1)Nc1cnc2ccccc2c1 89878776 RXGSUYNZNSZTOC-UHFFFAOYSA-N 342.398 4.796 0 40 EJAB Cc1csc(NC(=O)c2nc(C)sc2-c2ccccc2Cl)n1 95479676 IVTGJUFLTSIODC-UHFFFAOYSA-N 349.868 4.789 0 40 EJAB Cc1nc(-c2noc3ccc(C(=O)Nc4ccccc4C)cc23)cs1 96062743 ALSNFRABDSSQCT-UHFFFAOYSA-N 349.415 4.820 0 40 EJAB CCSc1ccccc1NC(=O)[C@@H](C)Oc1ccc(C)cc1C 219531443 KPMADEUXUWDMQI-OAHLLOKOSA-N 329.465 4.821 0 40 EJAB COc1cc(C)c(S(=O)(=O)Nc2cc(C)ccc2C)cc1C(C)C 223474553 MBKGNFUXKZWTBL-UHFFFAOYSA-N 347.480 4.545 0 40 EJAB CCN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(Cl)cc1 224702188 MDAFWAYPDZRSBM-UHFFFAOYSA-N 337.872 4.679 0 40 EJAB CCCCc1ccc(C[C@H](Oc2ccc(Cl)cc2)C(=O)O)cc1 225128111 YJSZYRXFHSDFGC-SFHVURJKSA-N 332.827 4.757 0 40 EJAB O=C(Nc1ccc2c(c1)COCc1cccn1-2)c1cc2ccccc2o1 225379759 QXWWUUBEQSNRKL-UHFFFAOYSA-N 344.370 4.506 0 40 EJAB CCCO[C@](C)(CC(C)C)C(=O)Nc1cc(C)c(OCC)c(C)c1 225736338 VFXSNZQPNUBOKJ-HXUWFJFHSA-N 335.488 4.872 0 40 EJAB c1ccc2c(c1)Cc1ccc(-c3csc(NC[C@H]4CCCO4)n3)cc1-2 2647242 FZWPUGASGOZZML-QGZVFWFLSA-N 348.471 4.972 0 40 EJAB COc1cc(C(=O)Nc2ccc(C(C)(C)C)cc2)ccc1OC(F)F 3448973 WQQXDWZZVJXTPX-UHFFFAOYSA-N 349.377 4.846 0 40 EJAB Cc1cc(C)cc(C(=O)NCc2ccc3[nH]c4c(c3c2)CCCC4)c1 4138184 AMHAUQWDTAIUGQ-UHFFFAOYSA-N 332.447 4.594 0 40 EJAB O=C(Nc1ccc(-c2ccccc2C(F)(F)F)s1)C(F)(F)F 4419612 KEBMYHDSNUZBBB-UHFFFAOYSA-N 339.260 4.935 0 40 EJAB C[C@@H]1CCCN(c2ncnc3c(-c4ccc(Cl)cc4)nsc23)C1 4894995 FJSBNNGOMZNXIF-LLVKDONJSA-N 344.871 4.643 0 40 EJAB O=c1sc2ccccc2n1Cc1ccccc1OCc1ccccc1 5014117 QOZVYYZUMYQEJF-UHFFFAOYSA-N 347.439 4.690 0 40 EJAB O=C(CSc1ccc(Cl)cc1)NC12CC3CC(CC(C3)C1)C2 5106000 KTZCLNOECNTWNE-UHFFFAOYSA-N 335.900 4.517 0 40 EJAB O=C(COc1ccc(F)cc1)Nc1ccccc1Oc1ccccc1 5866961 IUNRFYSAKZBVLT-UHFFFAOYSA-N 337.350 4.636 0 40 EJAB O=C(N[C@@H]1CCSc2ccccc21)c1ccc(C(F)(F)F)cc1 6558991 QOLXNKOVPILQIX-CQSZACIVSA-N 337.366 4.672 0 40 EJAB O=C(Cc1ccccc1F)Nc1cc(Cl)ccc1N1CCCCC1 6822653 WZXVDJSXOAXETA-UHFFFAOYSA-N 346.833 4.651 0 40 EJAB Cc1c(O)ccc2c(CNc3ccc(C(C)(C)C)cc3)cc(=O)oc12 7224462 DOFHUTURGAMRRX-UHFFFAOYSA-N 337.419 4.717 0 40 EJAB CCc1ccccc1NC(=O)c1sc(-c2ccsc2)nc1C 7466600 OOMULCKSESWNJC-UHFFFAOYSA-N 328.462 4.995 0 40 EJAB C[C@H](Sc1ccccc1F)C(=O)N[C@H]1CCCc2ccccc21 7716074 ITKOPBKEHAWEMB-GUYCJALGSA-N 329.440 4.500 0 40 EJAB CCOCc1c(C(=O)Nc2cccc3cccnc23)oc2ccccc12 9548334 UURNRCSIWMEYCF-UHFFFAOYSA-N 346.386 4.770 0 40 EJAB O=C(Cc1ccc2ccccc2c1)Nc1ccc(N2CCCC2)cc1 10429348 MJWGVRLSQRKSPL-UHFFFAOYSA-N 330.431 4.621 0 40 EJAB CCc1oc2ccccc2c1/C=C/C(=O)N1CCc2sccc2C1 10924042 JCCPPSXQVLTQNX-BQYQJAHWSA-N 337.444 4.655 0 40 EJAB O=C1C[C@@H](c2ccccc2OCCc2ccccc2)c2sccc2N1 12376338 BFOBRGMBDZIJQT-KRWDZBQOSA-N 349.455 4.844 0 40 EJAB O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccccc1F 12854876 QEESSNVGUMIYMB-UHFFFAOYSA-N 327.355 4.510 0 40 EJAB COc1ccc(Cl)cc1C(=O)N[C@@H](C)c1cc2ccccc2o1 12866164 JHNHABTVVMGGJN-NSHDSACASA-N 329.783 4.586 0 40 EJAB COc1ccc(Cl)cc1C(=O)N[C@H](C)c1cc2ccccc2o1 12866171 JHNHABTVVMGGJN-LLVKDONJSA-N 329.783 4.586 0 40 EJAB CN(Cc1ccc(Cl)cc1)Cc1nc(-c2ccc(Cl)cc2)no1 15301769 RFPQTUXLYYGRRD-UHFFFAOYSA-N 348.233 4.675 0 40 EJAB Cc1ccc(C)c(Sc2ccc(NC(=O)[C@H]3CCCO3)cc2)c1 24012302 WIYMDEJEZUNRQD-QGZVFWFLSA-N 327.449 4.572 0 40 EJAB COc1ccccc1NC(=O)c1cccc(OCc2cccs2)c1 32643390 GXYBQHJTZMGMJH-UHFFFAOYSA-N 339.416 4.588 0 40 EJAB O=C1C[C@@H](c2ccc(F)cc2)c2snc(-c3cccc(F)c3)c2N1 35324505 ILJIZOWSGWCXJS-AWEZNQCLSA-N 342.370 4.562 0 40 EJAB O=C(Nc1cnccc1Oc1ccccc1)c1ccc2ccccc2n1 58377938 VQRCJQVJYCJMQW-UHFFFAOYSA-N 341.370 4.674 0 40 EJAB Fc1ccccc1-c1nccnc1[C@H]1CCCN(Cc2ccccc2)C1 72358346 QIOSPXZHLBMQEN-SFHVURJKSA-N 347.437 4.662 0 40 EJAB Cc1cc(-n2cnnc2)cc2nc(-c3cc(Cl)ccc3Cl)oc12 73639467 BGZFEVJRDVGWHZ-UHFFFAOYSA-N 345.189 4.691 0 40 EJAB Cc1oc(-c2cccs2)nc1C[S@](=O)[C@@H](C)c1ccccc1F 96404315 UMPMLQLGIQYYLN-DAOPMYJZSA-N 349.452 4.861 0 40 EJAB CC1(C)[C@@H]2CC[C@]1(C)[C@H](OC(=O)COc1ccc3ccccc3c1)C2 101559937 LDBLTMDNXJRMLC-SFGWALBWSA-N 338.447 4.977 0 40 EJAB Cc1cc(C)c(C)c(OCC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)c1 223452138 NRSPHCOABMEYCY-IBGZPJMESA-N 339.479 4.793 0 40 EJAB CCC[C@@H](C)NC(=O)c1ccc(OC)c(COc2ccccc2C)c1 224103490 ZXMDPMKXOBRZNG-MRXNPFEDSA-N 341.451 4.501 0 40 EJAB CCc1cccc(CC)c1NC(=O)CCc1ccc(OC)c(C)c1 224525934 VENCOTPBNBKFSX-UHFFFAOYSA-N 325.452 4.700 0 40 EJAB CCOc1ccc(C(=O)N(C)Cc2ccc(Cl)cc2)cc1Cl 224861502 FHZBTUVGJRDNJI-UHFFFAOYSA-N 338.234 4.664 0 40 EJAB CCCOc1ccccc1CCCNC(=S)Nc1ccccc1F 225624902 FCACODVISYDLAC-UHFFFAOYSA-N 346.471 4.534 0 40 EJAB Cc1nc2oc(-c3ccccc3)nc2cc1NC(=O)c1ccsc1 225625098 CDKARLNNVOXCFS-UHFFFAOYSA-N 335.388 4.512 0 40 EJAB CO[C@]1(C(=O)Nc2ccc(OC3CCCC3)cc2)CCC[C@H](C)C1 225633803 YWWRJSWPNZDUTN-MGPUTAFESA-N 331.456 4.542 0 40 EJAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OC)c(Cl)c1 225705477 LBDYDJPSDGSQRE-KRWDZBQOSA-N 327.852 4.663 0 40 EJAB CC(C)(C)C(=O)c1ccc(Br)cc1OC(F)(F)F 575243183 RIPZZTSAMCEQAE-UHFFFAOYSA-N 325.124 4.577 0 40 EJAB Cc1ccc2[nH]c(CN3CCC[C@H](c4nccs4)C3)c(C)c2c1 2037850068 OGXHZSGFWPLRSF-HNNXBMFYSA-N 325.481 4.621 0 40 EJAB C[C@H]1CCc2nc(NC(=O)c3ccc(C(C)(C)C)cc3)sc2C1 175169 BSVRYHUKDKSSPP-LBPRGKRZSA-N 328.481 4.818 0 40 EJAB Cc1sc2ncnc(S[C@@H]3CCc4ccccc4C3=O)c2c1C 420649 ZXPZWEBFBVXRHP-CQSZACIVSA-N 340.473 4.598 0 40 EJAB COc1ccc(Cl)cc1NC(=O)Cc1cccc2ccccc12 711675 CRBZXQHEIOUEHO-UHFFFAOYSA-N 325.795 4.683 0 40 EJAB Nc1ccccc1S[C@H](CC(=O)c1cccs1)c1cccnc1 2608251 QALYPPXKBFONLL-GOSISDBHSA-N 340.473 4.832 0 40 EJAB CC[C@@H](C)c1ccc([C@@H](CC)NS(=O)(=O)c2cccs2)cc1 2774865 RKQTUEKIKVHFBS-CZUORRHYSA-N 337.510 4.691 0 40 EJAB Cc1ccc(NC(=O)[C@H](NC2CCCC2)c2ccccc2)cc1Cl 3328061 JYBWWPZSBZAWOW-LJQANCHMSA-N 342.870 4.860 0 40 EJAB COc1ccc(Cl)cc1NC(=O)CSc1cc(C)ccc1C 3499315 CHSZRROGKWXJGP-UHFFFAOYSA-N 335.856 4.696 0 40 EJAB COc1cccc([C@H]2Nc3ccc(C(=O)O)cc3[C@H]3[C@H]4CC[C@H](C4)[C@@H]23)c1 4622521 GAHFOJIJYCNZSE-HMLKNOLNSA-N 349.430 4.690 0 40 EJAB O=c1c(Cc2ccc(Cl)cc2)c(O)ccn1C1CCCCCC1 5763469 ILOHZQMFBJPFKS-UHFFFAOYSA-N 331.843 4.693 0 40 EJAB CCOc1c(Cl)cc(C(=O)Nc2ccc(Cl)cc2)cc1OC 6595449 SYZHWIJSKZHIOL-UHFFFAOYSA-N 340.206 4.653 0 40 EJAB O=C1c2ccccc2N[C@@H](c2cccc(Cl)c2)N1Cc1ccco1 7112560 YXPGPNOELYKZEK-GOSISDBHSA-N 338.794 4.700 0 40 EJAB CC[C@H]1CN2CC[C@H]1C[C@@H]2COC(=O)Nc1cccc2ccccc12 8300095 HGWZSCZNOJQJHI-RYQLBKOJSA-N 338.451 4.509 0 40 EJAB biogenic,in-vitro C[C@@H](c1ccccc1)N(C)C(=O)c1csc(-c2cccs2)n1 8404821 WEBAAGROLOGUQB-LBPRGKRZSA-N 328.462 4.705 0 40 EJAB COc1ccccc1-c1nc(-c2ccc(NC(C)=O)cc2)c(C)s1 8718508 ORXWIYVURBDPAI-UHFFFAOYSA-N 338.432 4.753 0 40 EJAB CCc1ccc(CCC(=O)NCCSCc2ccccc2C)cc1 10364632 DJBCHEJCYZXZIC-UHFFFAOYSA-N 341.520 4.540 0 40 EJAB CC[C@H](C(=O)Nc1ccc(NC(=O)c2ccco2)cc1)c1ccccc1 10870380 RMYVAPVQZCOXDB-SFHVURJKSA-N 348.402 4.664 0 40 EJAB COc1ccc(O[C@H](C)CNc2ccc(Cl)cc2Cl)cc1 19737867 SKZXZRSQKODTNR-LLVKDONJSA-N 326.223 4.881 0 40 EJAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1cccc(OC(C)C)c1 20046084 GGXOFASABKXHBQ-IBGZPJMESA-N 341.451 4.887 0 40 EJAB O=C1C[C@H](c2ccc(Cl)cc2)Cc2nc(Nc3ccccc3)ncc21 20101858 BQUMVYOXJNQJCS-CQSZACIVSA-N 349.821 4.786 0 40 EJAB COc1ccc(-c2cc(CN(C)Cc3ccc(Cl)s3)on2)cc1 22134594 HSVOSVMHWROWIO-UHFFFAOYSA-N 348.855 4.697 0 40 EJAB Cc1nc(N(C)c2ccccc2)sc1C(=O)Nc1ccccc1F 22237703 WERTWLPCKPQHCE-UHFFFAOYSA-N 341.411 4.611 0 40 EJAB Cc1nn(Cc2ccc(Cl)cc2)c(C)c1NC(=O)C1CCCCC1 28224882 PHIPWPHORWOOIG-UHFFFAOYSA-N 345.874 4.720 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)COc2ccc(C(C)(C)C)cc2)c(C)c1 30864951 FPUJSRACAJTGIO-QGZVFWFLSA-N 339.479 4.857 0 40 EJAB Cc1cccc(NC(=O)CSCc2csc(-c3ccco3)n2)c1 31420282 PONPOIKXYIQAAX-UHFFFAOYSA-N 344.461 4.583 0 40 EJAB O=C(Nc1cccc(CN2CCCCC2)c1)c1ccccc1Cl 31621210 DDCHSEXQVRZORV-UHFFFAOYSA-N 328.843 4.578 0 40 EJAB C[C@H](NC(=O)CSc1ccc(F)c(Cl)c1)c1cccs1 32719100 CUVKAMYSEBMGJH-VIFPVBQESA-N 329.849 4.510 0 40 EJAB CC(=O)c1ccc(C(=O)Nc2cccc(OC3CCCC3)c2)s1 32769562 PGODPYKLUCEJQM-UHFFFAOYSA-N 329.421 4.524 0 40 EJAB Cc1ccccc1[C@H]1CCCN1C(=O)Nc1cccc(-n2cccn2)c1 40152291 VQHZPEAPUMMJNB-HXUWFJFHSA-N 346.434 4.550 0 40 EJAB Cc1cc(C)c(C)c(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c1 40868542 VAQAUNZRLZMGMX-UHFFFAOYSA-N 338.234 4.936 0 40 EJAB CSc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccncc2)cc1 48367823 RDONTJYXYWFKNP-LJQANCHMSA-N 347.443 4.575 0 40 EJAB Cc1oc(-c2cccs2)nc1CN1CCC[C@@H]1Cc1ccccc1 58081597 IYFDIFYDLBZXOO-QGZVFWFLSA-N 338.476 4.919 0 40 EJAB Ic1ccc(C23CC4CC(CC(C4)C2)C3)cc1 59128358 DMMVHLXCUOFVFH-UHFFFAOYSA-N 338.232 4.759 0 40 EJAB CCCCNc1ncccc1[C@@H]1CCCCN1C(=O)c1ccccc1 72213634 BVFMXNKYKHQQKF-IBGZPJMESA-N 337.467 4.661 0 40 EJAB O=C(/C=C/c1ccc(-c2ccccc2F)s1)OCc1nccs1 95364992 JPQMXDKFQODLDO-SOFGYWHQSA-N 345.420 4.767 0 40 EJAB CCCc1ccc([C@H](NCc2csc(NC(C)=O)n2)C(C)C)cc1 96955887 JUQXMNZSMHFGGY-GOSISDBHSA-N 345.512 4.541 0 40 EJAB O=C([C@H]1C[C@H]2C=C[C@H]1C2)N1CCCC[C@H]1c1nc2ccccc2s1 100804869 JLXWJSPPBHXNNB-JKQORVJESA-N 338.476 4.562 0 40 EJAB CCCOc1ccc(Cl)cc1C(=O)Oc1ccccc1C(C)=O 113703750 QSOFTPBGZRSSFF-UHFFFAOYSA-N 332.783 4.551 0 40 EJAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)c1 222769376 LDGNQYMJWGFWJL-HOTGVXAUSA-N 343.442 4.902 0 40 EJAB O=C(O)[C@@H](Cc1cccc2ccccc12)Oc1ccc(Cl)cc1 225048139 ZUWJPUNSTHVTSV-GOSISDBHSA-N 326.779 4.568 0 40 EJAB CCc1ccc(NC(=S)NCCSCc2ccccc2C)cc1 225360660 FKSZUUUKOSDXKS-UHFFFAOYSA-N 344.549 4.777 0 40 EJAB O=C(NCCCc1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 225631679 MMILIEJOMWBXLP-UHFFFAOYSA-N 327.855 4.581 0 40 EJAB CCc1cccc(CC)c1NC(=O)c1snnc1-c1cccs1 225790521 BZVHCJJUNKDTMW-UHFFFAOYSA-N 343.477 4.644 0 40 EJAB O=C(Nc1nc(-c2ccccc2)co1)c1cc(Cl)cc(Cl)c1 1128791298 CVSZQZKULSTOBP-UHFFFAOYSA-N 333.174 4.901 0 40 EJAB Cc1cc(C)n(-c2nc3ccccc3nc2Nc2ccccc2Cl)n1 477497 GWJCQMINNOBSGW-UHFFFAOYSA-N 349.825 4.829 0 40 EJAB CCOC(=O)c1c(C)n(CC(C)C)c2c1cc(O)c1ccccc12 501824 DPLQQGADTRYSJT-UHFFFAOYSA-N 325.408 4.641 0 40 EJAB biogenic CCSc1nc2ccc(NC(=O)c3ccc(F)cc3)cc2s1 523692 RBNCXZBOIHFLAH-UHFFFAOYSA-N 332.425 4.800 0 40 EJAB CC(=O)c1ccccc1NC(=O)Cc1ccc(-c2ccccc2)cc1 2655234 SBWYXRYMLTYIBD-UHFFFAOYSA-N 329.399 4.737 0 40 EJAB COc1cc(Cl)c(C)cc1NC(=O)c1c(F)cccc1Cl 3551934 KJOPYPHXVBMSRE-UHFFFAOYSA-N 328.170 4.702 0 40 EJAB Cc1cc2ccccc2n1CC(=O)Nc1cccc(Cl)c1Cl 6266428 GQNABAIXCXRHGN-UHFFFAOYSA-N 333.218 4.895 0 40 EJAB CCOc1cc(C(=O)Nc2cccc(C)c2)cc(Cl)c1OCC 6350959 GPAJYMMBSZBWDI-UHFFFAOYSA-N 333.815 4.698 0 40 EJAB Cc1ccc(NCn2nc(-c3ccccc3Cl)oc2=S)cc1 6613714 GYVRDALQJKPZJI-UHFFFAOYSA-N 331.828 4.904 0 40 EJAB Cc1ccccc1NC(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 6940785 WBFQVKKQTIUYPW-UHFFFAOYSA-N 331.419 4.798 0 40 EJAB Cc1ccc2nc(-c3ccccc3)c(NC(=O)c3ccccc3)n2c1 6971050 WGPJDFXKHICRBP-UHFFFAOYSA-N 327.387 4.562 0 40 EJAB O=C(Nc1nc(-c2cc3ccccc3o2)cs1)c1ccccc1F 7599256 ZQRJTKURSNBWGI-UHFFFAOYSA-N 338.363 4.948 0 40 EJAB Cc1sc2nc(CN3CCCC3)nc(Oc3ccccc3)c2c1C 8705235 ZAWZKQKTOYBYEW-UHFFFAOYSA-N 339.464 4.696 0 40 EJAB CCn1c(C)cc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c1C 12455046 LBVRBSJVAZQHHT-UHFFFAOYSA-N 348.446 4.956 0 40 EJAB CCOc1ccc2[nH]c(=O)c(CNc3cccc4ccccc34)cc2c1 12493231 LJLTVAWBKHLQGV-UHFFFAOYSA-N 344.414 4.692 0 40 EJAB CCOCCOc1ccccc1NCc1cccc(OCC(C)C)c1 19738518 UDEJAYVNIUUVRQ-UHFFFAOYSA-N 343.467 4.749 0 40 EJAB Cc1cc(SCc2cc(=O)oc3cc(O)ccc23)nc2ccccc12 20882542 AIRKFJUQPFHXDZ-UHFFFAOYSA-N 349.411 4.648 0 40 EJAB Cc1nc2ccc(Cl)cc2cc1C(=O)N[C@H](C)c1ccccc1F 25957934 NCSQJWOSABOSLH-LLVKDONJSA-N 342.801 4.827 0 40 EJAB COc1ccc(N(Cc2ccco2)C(=O)/C=C/c2ccccc2)cc1 27795661 WXBLEAYYCWGVMT-NTEUORMPSA-N 333.387 4.535 0 40 EJAB CCCn1c(NC(=O)Nc2ccccc2Cl)nc2ccccc21 27923561 OXOWTBUKLZKDMH-UHFFFAOYSA-N 328.803 4.744 0 40 EJAB CCCOc1ccccc1C(=O)Nc1cc(-c2ccc(F)cc2)no1 27992737 ZIJXNXMXKFBVDL-UHFFFAOYSA-N 340.354 4.522 0 40 EJAB C[C@@H](SCc1nc2ccccc2c(=O)[nH]1)c1ccccc1Cl 32891557 DWWPGCWEYSFGRX-LLVKDONJSA-N 330.840 4.571 0 40 EJAB CC[C@@H](C)c1noc([C@@H]2CCCCN2C(=O)CCC2CCCC2)n1 41123379 ZAJQCHGHJDKMRI-ZBFHGGJFSA-N 333.476 4.607 0 40 EJAB CC[C@H](C)c1noc([C@H]2CCCCN2C(=O)CCC2CCCC2)n1 41123385 ZAJQCHGHJDKMRI-GOEBONIOSA-N 333.476 4.607 0 40 EJAB Cc1nc(N2CCCC2)ccc1[C@H]1CCCCN1Cc1ccccc1 72218947 BZCWEIFEUZEXTL-OAQYLSRUSA-N 335.495 4.717 0 40 EJAB Cc1ccccc1CN1CCCC[C@@H]1c1nnc(-c2cccs2)o1 72390135 BBFOLYMOUXBHQV-MRXNPFEDSA-N 339.464 4.834 0 40 EJAB CC[C@H](NC(=O)[C@H](C)Oc1cccc(C)c1C)c1ccc(C)c(C)c1 219310761 NVTKHWSUFFBXQA-ICSRJNTNSA-N 339.479 4.955 0 40 EJAB O=C(Nc1ccc(Cl)cc1)c1cnc(-c2ccc(Cl)cc2)nc1 222603352 JVEMHQYYFNFOAB-UHFFFAOYSA-N 344.201 4.703 0 40 EJAB Cc1cccc(OCC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c1 222753579 OMNRYUVGOCCEEB-INIZCTEOSA-N 325.452 4.549 0 40 EJAB Cc1ccc(Cl)cc1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1 224056244 KLOZTMOHPXRGOV-UHFFFAOYSA-N 346.217 4.740 0 40 EJAB COC1(C(=O)Nc2ccc(OC(C)C)c3ccccc23)CCCCC1 225805911 GSGNDZRCINKEKC-UHFFFAOYSA-N 341.451 4.915 0 40 EJAB CCOc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(N)c1 226299109 NBJLXWCSFMYSJQ-UHFFFAOYSA-N 332.403 4.587 0 40 EJAB Cc1cc(-c2ccccc2)cc([C@@H]2CCCN(C(=O)C3CCCC3)C2)n1 257268132 MKJHNRMHGLXLPY-HXUWFJFHSA-N 348.490 4.953 0 40 EJAB Cc1csc(Nc2cccc(C3CCN(C4CCCC4)CC3)n2)n1 257344119 ZVULGNKFIHCYBE-UHFFFAOYSA-N 342.512 4.712 0 40 EJAB Cn1c(C(=O)NC23CC4CC(CC(C4)C2)C3)c(Cl)c2ccccc21 642285809 SNRYMXDXWAYFMO-UHFFFAOYSA-N 342.870 4.530 0 40 EJAB CCOC(=O)c1cnc2ccc(OCC)cc2c1NC1CCCCC1 71819 SUQYWJFPMXSAJL-UHFFFAOYSA-N 342.439 4.555 0 40 EJAB COc1cccc(-c2cc(C(=O)Nc3cccc(Cl)c3C)no2)c1 423690 AMHRQZGUFMVIIU-UHFFFAOYSA-N 342.782 4.564 0 40 EJAB COc1ccc(-c2nc3nc4ccccc4nc3n2CCC(C)C)cc1 533737 DNBPIXGKUZSDGM-UHFFFAOYSA-N 346.434 4.701 0 40 EJAB Cc1ccc(C(=O)COc2ccc(C(=O)c3ccccc3)cc2)c(C)c1 3285451 HTTXSOBHXMTMSO-UHFFFAOYSA-N 344.410 4.796 0 40 EJAB Cc1ccc(C)c(C(=O)Nc2c(F)cc(F)cc2Br)c1 3415316 QRASSRZVMYDKBU-UHFFFAOYSA-N 340.167 4.596 0 40 EJAB COc1cccc(OC)c1OCCCCCCN1C[C@@H](C)C[C@H](C)C1 4836885 BPLNDHPQMGBONF-ROUUACIJSA-N 349.515 4.621 0 40 EJAB COc1ccccc1NC(=O)c1ccc2noc(-c3ccccc3)c2c1 5034725 SDOZACUIWQJHIE-UHFFFAOYSA-N 344.370 4.756 0 40 EJAB Cc1nc2ccccc2c(C)c1CC(=O)N[C@@H]1CCCc2ccccc21 5199133 XIUPAUGWWJACIB-JOCHJYFZSA-N 344.458 4.588 0 40 EJAB O=C(CCc1c[nH]c2ccccc12)Nc1cccc(Br)c1 5558297 FMDRMNMSUQFRNE-UHFFFAOYSA-N 343.224 4.502 0 40 EJAB COc1ccccc1NC(=O)Cc1coc2ccc3ccccc3c12 5558434 PYVHJWQGFHDRMJ-UHFFFAOYSA-N 331.371 4.776 0 40 EJAB C[C@@H](SCc1ccccc1)C(=O)Nc1ccc(C(F)(F)F)cc1 5736426 XOFORBCLWACDLF-GFCCVEGCSA-N 339.382 4.966 0 40 EJAB CCc1ccc2c(c1)C(c1ccccc1)=NNC(c1ccccc1)=N2 6844172 IBMODIJTIVOLTN-UHFFFAOYSA-N 325.415 4.683 0 40 EJAB CCC[C@H](Sc1ccccc1NC(=O)C1CCCCC1)C(=O)O 8732965 DAYLWMHUOGIXSG-INIZCTEOSA-N 335.469 4.551 0 40 EJAB CCC1=Nc2ccccc2N=C(NC(C)=O)[C@@H]1c1ccc(Cl)cc1 8991052 TZDJLYXSOYRVOS-GOSISDBHSA-N 339.826 4.786 0 40 EJAB COc1ccc([C@@H](NC(=O)CCCc2cccs2)C(C)C)cc1 12902908 IUWAUHMFUGEAMH-IBGZPJMESA-N 331.481 4.593 0 40 EJAB COc1ccc(C(=O)Nc2ccc(OC)c(Cc3ccccc3)c2)cc1 12998356 IZIHPBDFGJMPKS-UHFFFAOYSA-N 347.414 4.547 0 40 EJAB Cc1cc(C)cc(OCC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c1 13648889 JXLHACMSLPVYIO-KRWDZBQOSA-N 339.479 4.857 0 40 EJAB CCOC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C(C)C 14000570 QQTCIYTVXYIVGM-UHFFFAOYSA-N 328.195 4.949 0 40 EJAB CC[C@H](Oc1ccc(F)cc1)C(=O)N[C@H](CC(C)C)c1ccccc1 20050639 GBKAYYSCJSQSGO-UXHICEINSA-N 343.442 4.887 0 40 EJAB Cc1cc(C)c(C)c(OCC(=O)N[C@H](CC(C)C)c2ccccc2)c1 20452413 RLLCTRZIMWOFEN-HXUWFJFHSA-N 339.479 4.894 0 40 EJAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cc(Cl)ccc1Cl 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FC(F)(F)Cn1ccnc1CSC1=Nc2ccccc2CS1 57746195 LXEJYPBQRNVHPN-UHFFFAOYSA-N 343.399 4.613 0 40 EJAB COc1ccc2c(c1)CN(C(=S)Nc1ccc3ccccc3c1)CC2 63909431 SHKVKIVBLRYKOY-UHFFFAOYSA-N 348.471 4.604 0 40 EJAB CCc1ccc([C@@H](C)NC(=O)COc2ccc(C(C)C)cc2)cc1 78457842 JGUBFVHOUDMWFU-MRXNPFEDSA-N 325.452 4.629 0 40 EJAB C[C@@H](c1cccs1)[S@@](=O)[C@H](C)c1ncc(-c2ccccc2)o1 107520613 AUXMYXXGRAOIBV-SASJJMKUSA-N 331.462 4.974 0 40 EJAB Cc1ccc(CSCC(=O)N[C@@H](C)c2cc(C)ccc2C)cc1 113934961 PZIQIIWBVQPWRX-KRWDZBQOSA-N 327.493 4.722 0 40 EJAB Cc1cc(Br)ccc1[C@@H]1CCCN1C(=O)OC(C)(C)C 145070933 CIBAKNBZUAAYKN-AWEZNQCLSA-N 340.261 4.830 0 40 EJAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(C)c(C)c2)c1 219303090 FPOGYLKBHHKFJY-OALUTQOASA-N 339.479 4.873 0 40 EJAB CC[C@@H](Oc1ccc(C)cc1)C(=O)N[C@H](C)c1cc(C)c(C)cc1C 223473240 HBECUWPNRDJHIR-WIYYLYMNSA-N 339.479 4.955 0 40 EJAB C[C@@H](NC(=O)CCc1ccc(F)cc1)c1ccc(C(C)(C)C)cc1 225054128 JGSGSPYGBJTAJM-OAHLLOKOSA-N 327.443 4.933 0 40 EJAB CCOc1ccc(C(=O)Nc2ccc3c4c(cccc24)CC3)cc1C 225199782 KHHONVTWOCMOLD-UHFFFAOYSA-N 331.415 4.898 0 40 EJAB O=C(c1cc2ccccc2s1)N(CCc1cccs1)C1CC1 225617690 LKHCMOSOEPNKNV-UHFFFAOYSA-N 327.474 4.810 0 40 EJAB COc1ccccc1N(C(C)=O)c1cnccc1Oc1ccccc1 247941904 NNHJQZINYWFAND-UHFFFAOYSA-N 334.375 4.567 0 40 EJAB CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3[C@H](CC[C@]12C)[C@]1(C)CCC(=O)C[C@@H]1C[C@H]3C 253617418 LLEADQQVTIBBHB-ALJOPPCTSA-N 346.511 4.776 0 40 EJAB CCOc1cc(C(=O)Nc2c(C)cccc2CC)cc(Cl)c1OC 408620900 MTJHHHJDPVUXOV-UHFFFAOYSA-N 347.842 4.870 0 40 EJAB COc1ccc(CC(=O)Sc2nc3cc4ccccc4cc3[nH]2)cc1 409391607 KBMYHAOZJFKWLW-UHFFFAOYSA-N 348.427 4.586 0 40 EJAB CC(C)CCC[C@]1(C)Oc2ccc(CC(=O)O)cc2[C@@H]2OCCC[C@H]21 585265751 OVGNPRFKBFIXGO-QMMLZNLJSA-N 346.467 4.759 0 40 EJAB O=c1oc(-c2ccccc2Cl)nc2c(Cl)cc(Cl)cc12 41109 OWLYKMMLRYZRIH-UHFFFAOYSA-N 326.566 4.815 0 40 EJAB CC1(C)[C@H]2CC[C@]1(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C2 86357 NGJIKNUKAYRYJI-NCAQKEMTSA-N 326.267 4.938 0 40 EJAB CCOC(=O)c1cnc2ccc(C)cc2c1Nc1ccc(C(C)=O)cc1 90656 GOSZXGGKWQMVAV-UHFFFAOYSA-N 348.402 4.666 0 40 EJAB O=C(Nc1ccc(Cc2nc3ccccc3[nH]2)cc1)C1CCCCC1 804278 SLZQXOUTZFEBOE-UHFFFAOYSA-N 333.435 4.673 0 40 EJAB CCCOc1ccc(-c2nc(N3CCCC3)c3ccccc3n2)cc1 2307536 VNVMTCXBXGDAHP-UHFFFAOYSA-N 333.435 4.686 0 40 EJAB CC(=O)c1c(C)[nH]c(C(=O)COc2cc(C)ccc2C(C)C)c1C 3290350 YUGQMZZJUOGVLC-UHFFFAOYSA-N 327.424 4.528 0 40 EJAB O=C(Nc1cc(Cl)ccc1Cl)c1cc(-c2ccc(O)cc2)on1 3907774 SDDOKMLUFMRLJI-UHFFFAOYSA-N 349.173 4.606 0 40 EJAB CC[C@H](O)c1nc2ccccc2n1CCCCOc1ccccc1C 4386181 FOKHJEKGWOLCML-IBGZPJMESA-N 338.451 4.647 0 40 EJAB CCc1cccc2sc(NC(=O)c3ccccc3SC)nc12 4517464 LYDOPTXQGJIZEX-UHFFFAOYSA-N 328.462 4.833 0 40 EJAB O=C(N[C@H]1CCCc2ccccc21)C1(c2ccc(Cl)cc2)CC1 5442788 LUJFHPFLBNJCRB-SFHVURJKSA-N 325.839 4.565 0 40 EJAB O=C(/C=C/c1cccc(F)c1)OCc1csc(-c2ccccc2)n1 5704263 DNXOGYLOCGQLBM-MDZDMXLPSA-N 339.391 4.706 0 40 EJAB C[C@@H]1CCCc2sc3[nH]c(=S)n(-c4ccccc4)c(=O)c3c21 5818006 YMUVRKAPBOVRBN-SNVBAGLBSA-N 328.462 4.550 0 40 EJAB CC[C@H](C)c1ccc(C(=O)COc2ccc(-c3nnco3)cc2)cc1 6561137 NKRBOHWYNCGMBG-AWEZNQCLSA-N 336.391 4.512 0 40 EJAB c1ccc2sc([C@H]3CCCN3c3ncnc4sccc34)nc2c1 8063179 WZFHHHDBXCNMCS-CYBMUJFWSA-N 338.461 4.643 0 40 EJAB COc1ccc(C2=NN(c3nc(C)cs3)[C@H](c3ccccc3)C2)cc1 9305382 LWXQFBXIVMABHI-IBGZPJMESA-N 349.459 4.816 0 40 EJAB Cc1cc(O[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)cc(C)c1Cl 10449970 HDDZDMPPKDQQRP-GJZGRUSLSA-N 343.854 4.702 0 40 EJAB O=C(O)[C@@H](c1ccccc1)N(Cc1ccccc1)Cc1ccccc1 11834050 QCVGMYQQPIOOMI-OAQYLSRUSA-N 331.415 4.515 0 40 EJAB Cc1ccc(CNC(=O)c2sc(-c3cccs3)nc2C)cc1F 12488268 XKOLPHFVZQRJQV-UHFFFAOYSA-N 346.452 4.558 0 40 EJAB CSc1ccc(CSCCC(=O)Nc2ccccc2F)cc1 12978431 GRVVHYLLKFWHMV-UHFFFAOYSA-N 335.469 4.810 0 40 EJAB Cc1ccc(COc2cccc(C(=S)N3CCC(C)CC3)c2)cc1 13547114 GUQKBRDHOIDPBD-UHFFFAOYSA-N 339.504 4.981 0 40 EJAB O=C(Nc1ccccc1F)c1ccc(-c2nc3ccccc3s2)o1 45820124 RVRPCQWJLFGJLW-UHFFFAOYSA-N 338.363 4.948 0 40 EJAB Clc1cccc2sc(-c3cncc(Br)c3)nc12 45920963 ITVLXQHFTBAOKY-UHFFFAOYSA-N 325.618 4.774 0 40 EJAB Cc1ccc(-c2nnco2)cc1NC(=O)c1cc2ccccc2s1 47320436 VQBHWCQTBNHZMA-UHFFFAOYSA-N 335.388 4.512 0 40 EJAB Cc1nc(C)c([C@H](C)NC(=O)Cc2coc3c(C)c(C)ccc23)s1 56020828 NHDSIYRPDQQVSI-ZDUSSCGKSA-N 342.464 4.543 0 40 EJAB Cc1cc(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)ccc1Cl 57412400 VWNBOFILCVDTAN-UHFFFAOYSA-N 346.217 4.944 0 40 EJAB Cc1c(C(=O)C(F)(F)F)c2ccccc2n1Cc1ccccc1F 59109451 CIZDMDKUJVCTJT-UHFFFAOYSA-N 335.300 4.882 0 40 EJAB Cc1c2c(c(-c3ccccc3)n1C)CC(c1ccccc1)=NN=C2S 67340115 FRWKOBZOMOZSRK-UHFFFAOYSA-N 345.471 4.637 0 40 EJAB CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2 96586415 QHQVIMYMMOQSCO-MRXNPFEDSA-N 337.463 4.842 0 40 EJAB C[C@H](c1ncc(-c2ccccc2)o1)[S@@](=O)[C@H](C)c1cccs1 107520604 AUXMYXXGRAOIBV-GIYNXVAASA-N 331.462 4.974 0 40 EJAB CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@@H](C)c1ccc(C)c(C)c1 219318111 ABQNJVVFILAILD-FXAWDEMLSA-N 325.452 4.647 0 40 EJAB CCCNC(=O)c1ccc(OCC)c(CSc2ccccc2)c1 224648644 FPYMDBBITGROTP-UHFFFAOYSA-N 329.465 4.517 0 40 EJAB CCOc1ccc(C[C@@H](Sc2ccc(Cl)cc2)C(=O)O)cc1 225108349 BGTNRWQPTQYSFQ-MRXNPFEDSA-N 336.840 4.527 0 40 EJAB CCC[C@](C)(OCC)C(=O)Nc1ccc(OC2CCCC2)c(C)c1 225694238 DNMSNKBHEJPVHM-FQEVSTJZSA-N 333.472 4.850 0 40 EJAB CCc1cc(Br)cc(C)c1NC(=O)Cc1ccccc1 226097179 SBABFZPSWCJNCT-UHFFFAOYSA-N 332.241 4.501 0 40 EJAB CCOc1ccc(/C=C/C(=O)Nc2ccccc2Cl)cc1OCC 147439 BDWBBJJTLYARPS-ZRDIBKRKSA-N 345.826 4.789 0 40 EJAB COc1ccc(O[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)cc1 514485 YPIDMQYLIAPRSE-NSHDSACASA-N 330.771 4.539 0 40 EJAB O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1ccc(Cl)s1 567803 NPWPORXWBUMSIY-UHFFFAOYSA-N 338.816 4.916 0 40 EJAB S=c1[nH]nc(SCc2ccc(Cl)cc2Cl)c2nc[nH]c12 1692112 HRIDOFGZIPWGTM-UHFFFAOYSA-N 343.264 4.615 0 40 EJAB CC(=O)c1c(C)[nH]c(C(=O)Nc2ccccc2Oc2ccccc2)c1C 2662478 XBKQGYGNEGNKCW-UHFFFAOYSA-N 348.402 4.879 0 40 EJAB COc1ccccc1[C@H]1C[C@@H](c2ccc(C(C)C)cc2)Nc2ncnn21 2919423 DNVYOFNGJIIWIQ-RBUKOAKNSA-N 348.450 4.556 0 40 EJAB O=C(Nc1ccccc1Br)c1cccc(C(F)(F)F)c1 3441309 WCKXXTPQBCARGX-UHFFFAOYSA-N 344.130 4.720 0 40 EJAB CC1CCN(CC(=O)Nc2ccccc2Sc2ccccc2)CC1 3583291 LYPDZWFWTRSAIS-UHFFFAOYSA-N 340.492 4.508 0 40 EJAB CCOC(=O)c1oc2ccccc2c1NC(=O)c1ccc(Cl)s1 4135311 NBNJHGPDIATXQQ-UHFFFAOYSA-N 349.795 4.577 0 40 EJAB Cc1c(C(=O)OCCCC(=O)c2ccc(F)cc2)oc2ccccc12 4462974 FOKKJKQVDPJLRE-UHFFFAOYSA-N 340.350 4.700 0 40 EJAB O=C(/C=C\c1ccc(Cl)cc1)NCC1(c2ccccc2)CCCC1 4951000 DSIBRBAYKYJDOI-RAXLEYEMSA-N 339.866 4.981 0 40 EJAB Cc1cc(C)c(-c2csc(NC(=O)c3c(C)noc3C)n2)cc1C 6260840 VOLYIHVBDDDFHB-UHFFFAOYSA-N 341.436 4.593 0 40 EJAB COc1cc(CNC(C)(C)C)ccc1OCc1cccc(Cl)c1 6882547 XKRTVHSXHYUMOD-UHFFFAOYSA-N 333.859 4.816 0 40 EJAB O=C(CSCc1ccccc1)Nc1nc2ccc(Cl)cc2s1 7486021 HKPCMBKLXBISSM-UHFFFAOYSA-N 348.880 4.822 0 40 EJAB C[C@@H]1CCc2sc(-c3nnc(SCc4cscn4)o3)cc2C1 8325354 FYQPPHWZMAKGAO-SECBINFHSA-N 349.506 4.672 0 40 EJAB Cc1cc2oc(C(=O)N(C)Cc3ccccc3)c(C)c2cc1Cl 8867567 XRYJVBNSSBVTBS-UHFFFAOYSA-N 327.811 4.975 0 40 EJAB Cc1ccc(C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cc1F 11075309 QDBAJQWWGSFLII-UHFFFAOYSA-N 334.394 4.545 0 40 EJAB CCCc1cc(C(=O)O[C@@H](C)C(=O)c2ccccc2)c2ccccc2n1 11565711 KKYZLFKRMNKITO-HNNXBMFYSA-N 347.414 4.616 0 40 EJAB CC[C@@H](C)c1ccc(NC(=O)[C@H](C)Oc2ccccc2OC)cc1 12922822 KCONPESHZMGZJV-CABCVRRESA-N 327.424 4.615 0 40 EJAB Cc1ccc(CSc2nc3ccc(Br)cc3[nH]2)cc1 20765207 CDVRYMZZFLDUNW-UHFFFAOYSA-N 333.254 4.926 0 40 EJAB O=C(CSc1cccc2ccccc12)Nc1cc(Cl)ccc1O 33525939 GNFZTSMOVMZUSC-UHFFFAOYSA-N 343.835 4.930 0 40 EJAB COc1ccccc1NC(=O)[C@@H](C)SCc1ccc(Cl)s1 56231644 AGIRVYGJNRBIIW-SNVBAGLBSA-N 341.885 4.671 0 40 EJAB Fc1ccc(NC(=S)Nc2ccc(OC(F)(F)F)cc2)cc1F 71761657 CQJBSGNTIVJGCF-UHFFFAOYSA-N 348.296 4.672 0 40 EJAB CC[C@H](C)C(=O)Nc1nc(-c2cccs2)c(-c2cc(C)no2)s1 72342652 PVPYRRCZWCMEQL-VIFPVBQESA-N 347.465 4.820 0 40 EJAB Cc1cc([C@H](NCc2ccc([S@](C)=O)cc2)C(C)C)c(C)s1 95409647 QYBANGOGCTVYKS-XMSQKQJNSA-N 335.538 4.589 0 40 EJAB Cc1cccc(CN2C(=O)S/C(=C/C=C/c3ccccc3)C2=O)c1 214586377 GZHOVPKEKWGFOG-PDDUZAPNSA-N 335.428 4.788 0 40 EJAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(F)c(F)c1 216394633 ZOHOLICWLQETKS-SFHVURJKSA-N 341.357 4.914 0 40 EJAB Cc1ccc(O[C@@H](C)C(=O)N[C@@H](CC(C)C)c2ccccc2)cc1C 219515006 ZMJFEKLMOCMNAV-RXVVDRJESA-N 339.479 4.974 0 40 EJAB Cc1ccc(C)c(OCCNC(=O)CCc2cccc3ccccc23)c1 224041519 BTYCRWUIHKYQKZ-UHFFFAOYSA-N 347.458 4.584 0 40 EJAB CCCC[C@@H](CC)CNC(=O)[C@@H](C)Oc1cccc2c1CCCC2 225115120 IYNYAWQFMVQOML-IAGOWNOFSA-N 331.500 4.665 0 40 EJAB CC1(C)Oc2c(O)cccc2[C@H]2O[C@@H](Cc3ccc(F)cc3)CC[C@@H]21 257323627 WLEXBBPWULIAQN-HHXXYDBFSA-N 342.410 4.781 0 40 EJAB CC[C@H](Oc1ccccc1F)C(=O)Nc1cccc(C(F)(F)F)c1 408680183 PATXLQRTEDIHKS-AWEZNQCLSA-N 341.304 4.641 0 40 EJAB CCC(CC)C(=O)N1CCC[C@H]2[C@@H]1CC(C)(C)N2c1cccc(F)c1 1615157006 LOYGBPPEWNAZEU-OALUTQOASA-N 346.490 4.610 0 40 EJAB Nc1c(-c2ccccc2)c(-c2ccccc2)nn1Cc1ccccc1 51525 JOWFWKAMEKXEFR-UHFFFAOYSA-N 325.415 4.848 0 40 EJAB CN(C)[C@@H]1CCc2ccc3ccccc3c2[C@@H]1OC(=O)c1ccccc1 1569707 KWZQTEDIPXRBIH-IFMALSPDSA-N 345.442 4.614 0 40 EJAB CCCCc1ccc(N2COc3ccc4c(C)cc(=O)oc4c3C2)cc1 2123672 DKGNBPCCEAKIPS-UHFFFAOYSA-N 349.430 4.801 0 40 EJAB biogenic O=C(Nc1nc2ccc(Oc3ccccc3)cc2s1)c1ccco1 2628375 IEZFSEQHDLPPLJ-UHFFFAOYSA-N 336.372 4.934 0 40 EJAB Cc1cc2ncn(-c3ncnc4sc5c(c34)CC[C@@H](C)C5)c2cc1C 3270693 UCZRDCLZOKSCSG-LLVKDONJSA-N 348.475 4.772 0 40 EJAB Cc1csc(N(C(=O)c2ccc(F)cc2F)c2ccccc2)n1 3325863 MBGJDUBILBFFOY-UHFFFAOYSA-N 330.359 4.708 0 40 EJAB c1ccc(CSc2nnc3c(n2)-c2cccc4cccc-3c24)cc1 4152202 IJPLZGGWLXJOMR-UHFFFAOYSA-N 327.412 4.965 0 40 EJAB Cc1ccc(NC(=O)CSc2c[nH]c3ccccc23)cc1Cl 4265656 OXYYDWXDPUXERT-UHFFFAOYSA-N 330.840 4.861 0 40 EJAB COc1cc(OC)cc(-c2nnc(S[C@@H](C)c3ccccc3)o2)c1 5435337 YFHVVOIMHOGUQR-LBPRGKRZSA-N 342.420 4.607 0 40 EJAB C[C@H](CCc1ccccc1)NC(=O)[C@@H](C)Sc1ccc(Cl)cc1 6123987 KXFGGYZCZBJGCD-HUUCEWRRSA-N 347.911 4.958 0 40 EJAB COc1cc(C(=O)Nc2cccc(C)c2)ccc1OCc1ccccc1 6402732 MDQILTWTEZRTOC-UHFFFAOYSA-N 347.414 4.835 0 40 EJAB Fc1ccc(-c2csc(SCc3cn4ccccc4n3)n2)cc1 6651855 VPWSHDCQVUCFPC-UHFFFAOYSA-N 341.436 4.889 0 40 EJAB CCCOc1ccc(C(=O)Nc2nc3c(C)cc(C)cc3s2)cc1 9141270 NBEQUOKJQRQIDG-UHFFFAOYSA-N 340.448 4.954 0 40 EJAB CC(=O)Nc1ccc2c(=O)cc(-c3ccc(C(C)(C)C)cc3)oc2c1 9660285 FZJFFNFNOJIEOB-UHFFFAOYSA-N 335.403 4.716 0 40 EJAB biogenic CCC[C@H](C(=O)Nc1ccc(NC(=O)C2CC2)cc1)c1ccccc1 12216920 BLMVTSOZSMSPFP-IBGZPJMESA-N 336.435 4.558 0 40 EJAB Cc1nc(-c2ccsc2)sc1C(=O)N[C@H](C)c1ccccc1 12977321 UFSMXCYBKSTGLA-LLVKDONJSA-N 328.462 4.671 0 40 EJAB CCN(Cc1ccncc1)C(=S)Nc1ccc(Cl)c(Cl)c1 16215720 RKXZBJSBLHNRHU-UHFFFAOYSA-N 340.279 4.607 0 40 EJAB CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)Cc1c(F)cccc1Cl 20337790 LSVPVYMPCCZPIV-CZUORRHYSA-N 325.855 4.743 0 40 EJAB C[C@H](c1ccccc1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 20444395 YFARKOXLNOAESC-CQSZACIVSA-N 335.278 4.877 0 40 EJAB CCSc1ccccc1NC(=O)[C@H](CC)Oc1cccc(OC)c1 20484650 ZPWPVWGADUZPKM-KRWDZBQOSA-N 345.464 4.603 0 40 EJAB O=C(N[C@@H](c1ccccc1)c1cc2ccccc2o1)[C@@H]1CC=CCC1 24709018 WNVKKJFOTZADNL-UTKZUKDTSA-N 331.415 4.995 0 40 EJAB CCOc1ccc(C(=O)[C@@H](CN2CCCCC2)c2ccccc2)cc1 26505662 FPRLACCGUGAOCA-NRFANRHFSA-N 337.463 4.538 0 40 EJAB O=C(N[C@H]1Sc2ccccc2N=C1c1ccccc1)c1ccccc1 28294058 RSSZHFDUKPNHRG-NRFANRHFSA-N 344.439 4.669 0 40 EJAB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccccc2OC(C)C)c1 32752547 QPXVZXGOGZDERB-LDADJPATSA-N 334.419 4.636 0 40 EJAB Cn1c(C(=O)Nc2cccc3ncccc23)c(Cl)c2ccccc21 40144296 LCKFDTRXGAWVRI-UHFFFAOYSA-N 335.794 4.632 0 40 EJAB Cc1[nH]c2ccccc2c1C(=O)NCc1ccc(-c2ccccc2)o1 65575661 HAAJJKCFDIXUJP-UHFFFAOYSA-N 330.387 4.666 0 40 EJAB COc1ccc2c(c1)CCC[C@@H]2CC(=O)N1CCC[C@H]1C1CCCC1 71823945 ATEFWHOCVBTOLP-NQIIRXRSSA-N 341.495 4.686 0 40 EJAB Cc1nc(N2CCCCC2)ccc1[C@@H]1CCCN1Cc1ccccc1 72219269 XKUHDEMVKPZUNL-NRFANRHFSA-N 335.495 4.717 0 40 EJAB Cc1cc(Nc2ccc(C(=O)O)cc2)c2ccc(Cl)c(C)c2n1 78401660 JQPLLZKBUWBCDT-UHFFFAOYSA-N 326.783 4.947 0 40 EJAB c1ccc(-c2nc(CSCc3nnc(C4CC4)o3)cs2)cc1 95403746 RIOBHMCSZBRJIE-UHFFFAOYSA-N 329.450 4.504 0 40 EJAB CCCOc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1 218981252 WWSOCECXFFVWRG-UHFFFAOYSA-N 345.442 4.995 0 40 EJAB COc1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)cc1 408999710 XKZYGLWEMZHIPP-IFCUIPEHSA-N 349.430 4.690 0 40 EJAB Cc1cc(N)n(-c2ncnc3scc(-c4ccc(C(C)C)cc4)c23)n1 90140 DBWYTAXMSPQBGX-UHFFFAOYSA-N 349.463 4.558 0 40 EJAB CC(C)(C)C(=O)Nc1ccccc1C(=O)Nc1ccccc1Cl 350013 QZNQNJYCYNTQGV-UHFFFAOYSA-N 330.815 4.577 0 40 EJAB Clc1ccc([C@@H](CCNC[C@H]2CCCO2)Cc2ccccc2)cc1 2360434 OQGCDSXZUITRFQ-PZJWPPBQSA-N 343.898 4.825 0 40 EJAB Cc1c(C(=O)CN2C[C@]3(C)C[C@H]2CC(C)(C)C3)c2ccccc2n1C 2416893 DWVYRXCRUOQLHN-OPAMFIHVSA-N 338.495 4.570 0 40 EJAB O=C(CCc1cc(F)c(F)c(F)c1)c1cccc(C(F)(F)F)c1 2517867 WEFXBLXXAGWBPO-UHFFFAOYSA-N 332.243 4.938 0 40 EJAB O=C(CSc1cc(Cl)ccc1Cl)NCc1ccc(F)cc1 2626176 CZSXWOWDTDZQER-UHFFFAOYSA-N 344.238 4.541 0 40 EJAB O=C(CNc1cccc(Cl)c1)Nc1cccc(Cl)c1Cl 3411331 NSRXBXLUAVDGTB-UHFFFAOYSA-N 329.614 4.697 0 40 EJAB Cc1c(C(=O)Nc2ccccc2F)oc2ccc(Br)cc12 3517004 LZNZJTQWILCOEB-UHFFFAOYSA-N 348.171 4.895 0 40 EJAB O=C(Nc1nc(-c2ccc3c(c2)CCCC3)cs1)c1ccccc1 4278862 QSLHCTIALKNUCV-UHFFFAOYSA-N 334.444 4.941 0 40 EJAB O=C(Nc1nc2c(F)cc(F)cc2s1)c1ccc2c(c1)CCCC2 4325451 JUCCWNYMMHKROQ-UHFFFAOYSA-N 344.386 4.706 0 40 EJAB Cc1noc(C)c1COC(=O)C1(c2ccc(Cl)cc2)CCCC1 4870692 AUCAIBKBPVYACX-UHFFFAOYSA-N 333.815 4.500 0 40 EJAB CC(=O)c1c(C)[nH]c(-c2csc(NCCc3ccccc3)n2)c1C 5156774 MVDGVHNSCVULRJ-UHFFFAOYSA-N 339.464 4.612 0 40 EJAB Cc1ccc(C)c(-c2csc(NC(=O)Cc3ccc(F)cc3)n2)c1 5268292 ZCXRLBMZAHLUJB-UHFFFAOYSA-N 340.423 4.747 0 40 EJAB O=C(COc1cccc(Cl)c1)Nc1ccc(Cl)c(Cl)c1 5714003 JPGCIIMYLGSEEE-UHFFFAOYSA-N 330.598 4.664 0 40 EJAB CCN(Cc1ccncc1)Cc1ccc(OCc2ccccc2)cc1 6026432 QQHKRDZRGLRBLB-UHFFFAOYSA-N 332.447 4.683 0 40 EJAB CC[C@@H](C(=O)NCCc1ccc(Cl)cc1Cl)c1ccccc1 6606748 KUDDLMLNVQLMGY-MRXNPFEDSA-N 336.262 4.846 0 40 EJAB CCC[C@H](C(=O)Nc1nc2ccc(F)cc2s1)c1ccccc1 6875822 JFKMNQKTNMWDOV-AWEZNQCLSA-N 328.412 4.958 0 40 EJAB O=C(N[C@H]1CCOc2ccccc21)c1ccccc1-c1ccccc1 7216220 WEYMNBBHNXPSTI-FQEVSTJZSA-N 329.399 4.607 0 40 EJAB C[C@H](NC(=O)C(C)(C)c1ccccc1)C12CC3CC(CC(C3)C1)C2 7265258 MBFVKFDNQUCSFU-BZSISCHUSA-N 325.496 4.685 0 40 EJAB O=C(Cc1ccc2ccccc2c1)Nc1ccc(Br)cc1 8205959 ORIAVOGOHPCOGF-UHFFFAOYSA-N 340.220 4.784 0 40 EJAB CC(=O)Nc1ccc2oc(C(=O)c3ccc(Cl)cc3)c(C)c2c1 9419438 GWOSRYLVTUMUDN-UHFFFAOYSA-N 327.767 4.584 0 40 EJAB CCN(c1cccc(C)c1)c1ncnc2c1cnn2-c1ccc(C)cc1 17288219 JNQVDGWNBJVGIQ-UHFFFAOYSA-N 343.434 4.590 0 40 EJAB CCN(C(=O)c1ccccc1OC(F)F)c1nc2ccccc2s1 23042139 UXWPCECUEACYRF-UHFFFAOYSA-N 348.374 4.564 0 40 EJAB Cc1c(C(=O)N[C@H](C)c2ccccc2OC(F)F)oc2ccccc12 25295775 WOKMTPXKCCHVQR-GFCCVEGCSA-N 345.345 4.834 0 40 EJAB C[C@]1(C(=O)Nc2ccc(OC3CCCC3)cc2)CC1(Cl)Cl 29025985 GRGVQIMKYSPIRD-OAHLLOKOSA-N 328.239 4.530 0 40 EJAB CCCOc1ccc(C(=O)N[C@H](CC(C)C)c2ccccc2)cc1 30754799 XSFOZJSMRWXBKO-HXUWFJFHSA-N 325.452 4.993 0 40 EJAB O=C(CCc1cc2ccccc2o1)Nc1ccccc1OC(F)F 32823607 ADNDTRYPMIFGEF-UHFFFAOYSA-N 331.318 4.606 0 40 EJAB Clc1ccc2sc(-c3cnn(Cc4ccccc4)c3)nc2c1 32891482 SYNBAKVKQIBAPZ-UHFFFAOYSA-N 325.824 4.862 0 40 EJAB Cc1ccc(CCNC(=O)Nc2ccc(Oc3ccccc3)cc2)o1 32925346 MFJJVPLGIKGEOD-UHFFFAOYSA-N 336.391 4.745 0 40 EJAB Fc1ccc(-c2noc(-c3cc(Cl)nc4ccccc34)n2)cc1 40478852 GRIBGHHUSHQNRP-UHFFFAOYSA-N 325.730 4.744 0 40 EJAB COc1ccc2oc(C)c(C(=O)Nc3cc(Cl)ccc3C)c2c1 41156424 IXOIMMZNKNPSND-UHFFFAOYSA-N 329.783 4.964 0 40 EJAB COc1cc2ccccc2cc1C(=O)NCc1ccc(OC(C)C)cc1 44846837 XBRQSRLZDUQTAV-UHFFFAOYSA-N 349.430 4.566 0 40 EJAB CC1(C)C[C@@H](NC(=O)Nc2ccc(Cl)cc2)c2ccccc2O1 45495331 SVECGYNXELOJSD-OAHLLOKOSA-N 330.815 4.764 0 40 EJAB CC(C)(C)c1ccc(C(=O)Nc2nnc(-c3ccccc3)s2)cc1 56894499 SCYVZQSSDLDVDG-UHFFFAOYSA-N 337.448 4.755 0 40 EJAB O=C(O)c1c2c(nc3ccccc13)/C(=C\c1cccc(O)c1)CCC2 57435463 RBPJEELVFJKSNT-KAMYIIQDSA-N 331.371 4.516 0 40 EJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)c1ccc(C)c(C)c1 59351289 JRDYJQWUIGGOMG-HNAYVOBHSA-N 345.870 4.992 0 40 EJAB CSc1nnc(S[C@H](C)c2ncc(-c3ccccc3)o2)s1 69975533 NJMCJPHFGXKPHG-SECBINFHSA-N 335.479 4.768 0 40 EJAB COc1ccc([C@H]2CC(O)=Nc3c2cnn3C(C)C)c2ccccc12 71283722 SNNYYBWEHWZCKC-MRXNPFEDSA-N 335.407 4.749 0 40 EJAB CC(C)N(c1ncccc1[C@@H]1CCCN1C(=O)OC(C)(C)C)C(C)C 72213013 UBPFQNROZNKOOE-KRWDZBQOSA-N 347.503 4.777 0 40 EJAB CCO[C@H](C)c1nc(CN[C@@H](c2ccc(F)cc2)C(C)C)cs1 76717144 KSNFAIRXIJOLSV-CXAGYDPISA-N 336.476 4.867 0 40 EJAB O=C(Nc1ccccc1F)N(CCc1cccs1)Cc1ccoc1 90612436 QTRJHCHSENUNNX-UHFFFAOYSA-N 344.411 4.757 0 40 EJAB CC(C)(C)c1cn2nc(N[C@H]3CCC[C@@H](C(F)(F)F)C3)sc2n1 95947949 PPRCQJVLJIJRLE-ZJUUUORDSA-N 346.422 4.621 0 40 EJAB CC[C@H](NC(=O)[C@H](C)Oc1ccc(C)cc1)c1ccc(C)cc1C 218973949 HZOLVXJEURFSQF-PXNSSMCTSA-N 325.452 4.647 0 40 EJAB Cc1cccc(CSCC(=O)N[C@H](C)c2cc(C)ccc2C)c1 222740994 LMNUAUARXQCUAH-QGZVFWFLSA-N 327.493 4.722 0 40 EJAB CCc1ccc(CC)c(CNC(=O)CSCc2ccccc2C)c1 225458244 XXMXCZGSCJJUPV-UHFFFAOYSA-N 341.520 4.669 0 40 EJAB CCN(CC)c1ccc(N)cc1NC(=O)c1ccc(C(C)(C)C)cc1 226260597 OVBFTHDWYULJQH-UHFFFAOYSA-N 339.483 4.665 0 40 EJAB COC(=O)c1ccc(CN2c3ccc(C)cc3[C@H](C)CC2(C)C)o1 260616274 HPUMUSLKYDYDAV-CQSZACIVSA-N 327.424 4.667 0 40 EJAB Cc1ccc(-n2c(Sc3ccccn3)nnc2-c2ccccc2)cc1 409093564 AJIOJOZFGPSONV-UHFFFAOYSA-N 344.443 4.789 0 40 EJAB Cc1csc(C2(NC(=O)c3oc4ccccc4c3C)CCCC2)n1 602714839 JGSAQUDCPDGGLB-UHFFFAOYSA-N 340.448 4.705 0 40 EJAB O=C(NC[C@@H](c1ccsc1)c1ccco1)Nc1ccccc1Cl 618256070 FCKWHQKZYNAPIG-ZDUSSCGKSA-N 346.839 4.948 0 40 EJAB CC(=O)N1CCCCCCN(CC2CCCCC2)Cc2ccccc21 643563415 UXNVNJZYQPYZDS-UHFFFAOYSA-N 342.527 4.996 0 40 EJAB O=C([C@@H](Sc1ccccc1)c1ccccc1)N1CCCCCC1 39000 LVHBBFLSPULZSX-IBGZPJMESA-N 325.477 4.923 0 40 EJAB O=C(Nc1ccccc1C(=O)c1ccccc1)c1ccc(Cl)cc1 137695 ORRBMARPSROFKN-UHFFFAOYSA-N 335.790 4.823 0 40 EJAB O=C(Nc1nc2ccc(Cl)cc2s1)c1ccc(Cl)s1 179451 UILIPPMGXCVTBO-UHFFFAOYSA-N 329.233 4.917 0 40 EJAB COc1ccc(OC(=O)c2sc3cc(OC)ccc3c2Cl)cc1 359006 MFDRSYLLHQNLDT-UHFFFAOYSA-N 348.807 4.791 0 40 EJAB O=C(Nc1ccc(N2CCCC2)cc1)c1cccc(C(F)(F)F)c1 1393205 GHUUVZJPYYVWFR-UHFFFAOYSA-N 334.341 4.558 0 40 EJAB CCCc1cc(=O)oc2c3c(ccc12)OCN(c1cc(C)ccc1C)C3 2159445 MWXXATIEYKOMPD-UHFFFAOYSA-N 349.430 4.719 0 40 EJAB biogenic CCCC[C@@H](CC)CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1C 2741507 ZUHBJWDLYMASGY-HUUCEWRRSA-N 325.880 4.748 0 40 EJAB O=C(CSc1nc2ccc(Cl)cc2o1)c1c[nH]c2ccccc12 3407156 KNQBODVKAALICO-UHFFFAOYSA-N 342.807 4.938 0 40 EJAB O=C(c1cn(-c2ccccc2)nc1-c1ccccc1)N1CCCCCC1 4599406 YAZAPPZFYIDHLH-UHFFFAOYSA-N 345.446 4.556 0 40 EJAB COc1cc(-c2nc3ccccc3s2)cc(Cl)c1OC(C)=O 5001122 DQNUDPIRFDIFPL-UHFFFAOYSA-N 333.796 4.551 0 40 EJAB O=C(NCCSCc1ccc(Cl)cc1)c1cccc(Cl)c1 5245418 YOCRHSCSHWUUKY-UHFFFAOYSA-N 340.275 4.657 0 40 EJAB CCn1c2ccccc2c2cc(NC(=O)c3ccccc3N)ccc21 5611105 YLSMIFUBSAURCS-UHFFFAOYSA-N 329.403 4.649 0 40 EJAB CCCc1cc2c(=O)c(-c3nc4ccccc4s3)coc2cc1O 5904275 XUODZRDJDWJEAI-UHFFFAOYSA-N 337.400 4.728 0 40 EJAB biogenic Fc1ccc(-n2c(S)nnc2[C@@H]2C[C@H]2c2ccc(Cl)cc2)cc1 6534071 WSPYYBNELOKGKD-LSDHHAIUSA-N 345.830 4.620 0 40 EJAB O=C(Nc1cccc2cccnc12)c1ccc(-c2ccc(F)cc2)o1 6882393 XPNRSRCPYGFRES-UHFFFAOYSA-N 332.334 4.886 0 40 EJAB Cc1noc(C)c1COc1ncnc2sc(-c3ccccc3)cc12 7779201 FUIJAJGXCNWRJW-UHFFFAOYSA-N 337.404 4.542 0 40 EJAB Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccco2)cc1 10215065 DJGIUXRWXUKZFI-GHTZIAJQSA-N 330.387 4.830 0 40 EJAB CC(=O)c1ccc(-c2ccc(/C=C3\C(=O)Nc4ccccc43)o2)cc1 12631382 VOMVJAZLNOAJHG-PDGQHHTCSA-N 329.355 4.642 0 40 EJAB C[C@H](NC(=O)c1csc(-c2ccccc2)n1)c1ccc(F)cc1F 12780659 HBFJQMDGYGXFGI-NSHDSACASA-N 344.386 4.579 0 40 EJAB COc1cccc(CNC(=O)c2ccccc2-c2cccc(C)c2)c1 12814090 XUECGUKWAXFSET-UHFFFAOYSA-N 331.415 4.601 0 40 EJAB COc1cccc(CO[C@@H]2C[C@H](C)S[C@@H]3C=CC(Cl)=C[C@@H]23)c1 13401143 TUBWQLBEFSFOMZ-DUOKCRBOSA-N 336.884 4.783 0 40 EJAB CCc1ccc(C(=O)NC(=S)Nc2ccc3ccccc3c2)cc1 21596444 QGUACWLJZOTPCY-UHFFFAOYSA-N 334.444 4.529 0 40 EJAB Cc1ccoc1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 21668010 MKOFQLKJYJRPRE-UHFFFAOYSA-N 337.219 4.878 0 40 EJAB COc1ccc(-c2cc(C(=O)Oc3ccc(C(C)C)cc3)no2)cc1 21786521 NWAHAGVIHBDMHQ-UHFFFAOYSA-N 337.375 4.693 0 40 EJAB COc1ccccc1C(=O)Nc1ccc(OCc2cccs2)cc1 32930528 SKSOZPBTAIYLME-UHFFFAOYSA-N 339.416 4.588 0 40 EJAB Cc1ccc(NC(=O)N(C)C2CCCCC2)c(Br)c1 40098523 QTTBSTKKNKAKSZ-UHFFFAOYSA-N 325.250 4.554 0 40 EJAB Fc1ccccc1-c1ccc(CNCc2cccc3c2OCO3)s1 60527064 PGVWJOHCIMATMB-UHFFFAOYSA-N 341.407 4.573 0 40 EJAB O=C(N[C@@H]1CCSc2ccccc21)C1CCC(n2cccc2)CC1 65592722 FVHQBNRHZUGVRT-LEOMRAHMSA-N 340.492 4.573 0 40 EJAB O=C(N[C@H]1CCSc2ccccc21)C1CCC(n2cccc2)CC1 65592724 FVHQBNRHZUGVRT-HTWSVDAQSA-N 340.492 4.573 0 40 EJAB O=C(OCc1ccccc1)N1CCCC[C@@H]1c1ccc(=S)[nH]c1 72217031 AIRJXFNXZUHJJO-MRXNPFEDSA-N 328.437 4.608 0 40 EJAB Cc1noc(C)c1C(=O)Nc1cccc2c1ccn2CCC(C)C 79478686 CBUYYJNEMFADLT-UHFFFAOYSA-N 325.412 4.545 0 40 EJAB Fc1cccc(C[C@@H]2CCCN2Cc2cc(F)cc3cccnc23)c1 84372409 WWLQFPMMNQGYPR-FQEVSTJZSA-N 338.401 4.720 0 40 EJAB CC(C)(C)OC(=O)N1CCC(Nc2ccc(C(F)(F)F)cc2)CC1 89212537 SDDFJFPUKXLWMA-UHFFFAOYSA-N 344.377 4.517 0 40 EJAB Cc1ccsc1[C@@H](C)NCc1cccc(COC2CCOCC2)c1 95967913 BJDJPGCYRQRERD-MRXNPFEDSA-N 345.508 4.603 0 40 EJAB Cc1cccc(CNC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 96171268 JNKWDBIPHZIEHZ-UHFFFAOYSA-N 342.748 4.989 0 40 EJAB CCCOCc1cc(C(=O)Nc2ccc(Cl)cc2)ccc1OC 224413024 CUTGZWQUENZGFD-UHFFFAOYSA-N 333.815 4.528 0 40 EJAB CC(=O)N[C@]1(C)C[C@H](c2ccc(Cl)cc2)O[C@@H]2C[C@H](C)CC[C@H]21 257298074 RJZZJHKUOKJDFS-RRARJMIVSA-N 335.875 4.501 0 40 EJAB O=C(Cc1ccccc1Cl)NCCc1ccc(-c2ccoc2)s1 390830229 JQNSJOXHNXGSIS-UHFFFAOYSA-N 345.851 4.563 0 40 EJAB c1ccc(-c2cncc(Oc3ncncc3-c3ccccc3)c2)cc1 570151806 PBJGVIBGUQMVBI-UHFFFAOYSA-N 325.371 4.998 0 40 EJAB Cc1cc(-c2cc(F)ccc2OC[C@@H]2CCOC2)c2cnccc2c1 630050543 HDESZFSYGDVQBV-OAHLLOKOSA-N 337.394 4.765 0 40 EJAB CC1(C)CC[C@@H](NC(=O)CCc2nccs2)[C@@H](c2ccccc2)C1 1132684061 ZMDILBNJBJAKJE-IAGOWNOFSA-N 342.508 4.554 0 40 EJAB CCOC(=O)c1cnc2ccc(Cl)cc2c1Nc1ccc(F)cc1 144810 NHJVEYFWDLZBTH-UHFFFAOYSA-N 344.773 4.948 0 40 EJAB Cc1ccc(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)c(C)c1 557905 YFJCDNZDVWEGNP-UHFFFAOYSA-N 344.414 4.808 0 40 EJAB CCC(=O)N(CC[C@@H](c1ccco1)C(C)C)Cc1ccc(OC)cc1 2092098 DEVJIOLNJVXLNQ-LJQANCHMSA-N 343.467 4.857 0 40 EJAB biogenic Cc1ccc2nc(NC(=O)/C=C/c3ccc(Cl)cc3)sc2c1 3224700 LTEHRNVQFSECLC-WEVVVXLNSA-N 328.824 4.910 0 40 EJAB CCCCCc1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1 4723913 RJZPSJDZWNSIPR-UHFFFAOYSA-N 344.267 4.830 0 40 EJAB CCc1cccc(NC(=O)c2sc(-c3ccsc3)nc2C)c1 7435602 HZJKAABMMJAGQJ-UHFFFAOYSA-N 328.462 4.995 0 40 EJAB COc1cccc(NC(=O)COc2ccc3oc4ccccc4c3c2)c1 7647071 MQYJFQUZNBPTAP-UHFFFAOYSA-N 347.370 4.612 0 40 EJAB Cc1nc(-c2ccsc2)sc1C(=O)NCc1ccccc1Cl 7952303 JNGNQEQWAUMTGE-UHFFFAOYSA-N 348.880 4.763 0 40 EJAB O=C(CCc1ncc(-c2ccccc2)o1)Nc1cccc2c1CCCC2 11430050 YUIMEIATBPYHGY-UHFFFAOYSA-N 346.430 4.792 0 40 EJAB CCOc1cccc(C(=O)N(Cc2ccc(C)cc2)c2ccccn2)c1 11916269 MDAJLSVTHMZCBP-UHFFFAOYSA-N 346.430 4.636 0 40 EJAB C[C@H](N[C@@H](C)c1ccc2ccccc2c1)C(=O)Nc1cccc(F)c1 12869675 LWWFAARRZYXROW-GJZGRUSLSA-N 336.410 4.657 0 40 EJAB O=C(Nc1ccc(Br)cc1)[C@H]1CCCc2ccccc21 13015048 LXJQHVFCFPGCPN-INIZCTEOSA-N 330.225 4.508 0 40 EJAB CCn1cc(CN(CCc2ccccc2)Cc2cccs2)c(C)n1 13997255 NAOZJODITHVIHF-UHFFFAOYSA-N 339.508 4.518 0 40 EJAB COc1ccccc1NC(=O)Nc1ccc(OCc2ccccc2)cc1 18172477 BWUZNYXXANUPMP-UHFFFAOYSA-N 348.402 4.918 0 40 EJAB O=C(O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1Cl 20138607 CFFMQMUQMIQABP-UHFFFAOYSA-N 344.581 4.597 0 40 EJAB CCN(CC)C(=O)c1sc2c(Cl)c(OC)ccc2c1Cl 32721877 WLTWEBXKIFBAFP-UHFFFAOYSA-N 332.252 4.699 0 40 EJAB COC(=O)c1cc(Nc2ccc(C)c(Cl)c2)c2ccccc2n1 38486577 DJRYZGKBJLSCGG-UHFFFAOYSA-N 326.783 4.727 0 40 EJAB Cc1ccc2[nH]cc(-c3nc(-c4ccc(C(C)C)cc4)no3)c(=O)c2c1 57354773 GLHHSQTWRBYJFR-UHFFFAOYSA-N 345.402 4.677 0 40 EJAB O=C(Cc1cccc2ccccc12)N1CCC(c2cccs2)CC1 75157043 HPXFGFZRRYWXHS-UHFFFAOYSA-N 335.472 4.850 0 40 EJAB Cc1ccccc1-c1cc(NCc2cccc3cccnc23)n(C)n1 84247661 KKYPVZCMROABED-UHFFFAOYSA-N 328.419 4.556 0 40 EJAB Cc1cccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccncc4)=NN32)c1 107536391 HEGDFDINZGQFOO-IFMALSPDSA-N 341.414 4.632 0 40 EJAB CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118927427 NTPXXNCDCQTPIF-CDTADNOUSA-N 332.484 4.530 0 40 EJAB Fc1cccc(CN2CC=C(c3nc4cc(Cl)ccc4o3)CC2)c1 216785139 PPTQTSFBIVSOQQ-UHFFFAOYSA-N 342.801 4.910 0 40 EJAB CCOC(=O)c1cc(Cl)c2[nH]c(-c3ccccc3Cl)nc2c1 216921424 UHCBVEHWLVJHBQ-UHFFFAOYSA-N 335.190 4.713 0 40 EJAB CC[C@H](NC(=O)c1ccc(OC)c(F)c1)c1ccc2c(c1)CCCC2 223141512 FZZQPRRPMQQVLI-IBGZPJMESA-N 341.426 4.594 0 40 EJAB CCc1ccc(NC(=O)[C@H](CC)Oc2ccc3c(c2)CCCC3)cc1 224357787 UAMAWMRFVURFND-NRFANRHFSA-N 337.463 4.924 0 40 EJAB CCOc1ccc(C(=O)NC(C)(C)C)cc1COc1ccccc1C 224369699 WLMBFLRZJOCJHX-UHFFFAOYSA-N 341.451 4.501 0 40 EJAB CCc1cc(Br)cc(C)c1NC(=O)c1cccc(OC)c1 226096961 NQOOJDKXIXWVGA-UHFFFAOYSA-N 348.240 4.581 0 40 EJAB C[C@@H]1CCCCN1c1ccc(N)cc1NC(=O)c1ccc(Cl)cc1 226254849 MGSZKSFQLATMTI-CYBMUJFWSA-N 343.858 4.553 0 40 EJAB CCc1ccc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)s1 409051828 CZSZFTNWGOSYJI-YBEGLDIGSA-N 343.473 4.855 0 40 EJAB Cc1ccc(Oc2ccccc2OC[C@@H](N)Cc2ccccc2)cc1 2037873304 JLNBNOWSMJATDL-IBGZPJMESA-N 333.431 4.736 0 40 EJAB O=C(Nc1ccc(-n2cnc(Cl)c2Cl)cc1)C1CCCCC1 161686 GODBNAJUKKDPMN-UHFFFAOYSA-N 338.238 4.698 0 40 EJAB O=C1OC(c2cccc(Cl)c2)=N/C1=C/c1cccc2ccccc12 176676 HRMHSJNEYQJBOF-LDADJPATSA-N 333.774 4.838 0 40 EJAB Cc1cc(C)c(C)c(OCc2nc(-c3ccc(Cl)cc3)no2)c1 199801 HVEJFVRHJZZCAS-UHFFFAOYSA-N 328.799 4.894 0 40 EJAB COc1cc(C)c(CNc2ccc(Br)cc2C)cc1C 293178 HXSHIPZCEHJXQU-UHFFFAOYSA-N 334.257 4.995 0 40 EJAB Clc1ccc(-c2nn3c(-c4ccccc4)nnc3s2)c(Cl)c1 520345 GQWHMIXJSGKFBY-UHFFFAOYSA-N 347.230 4.827 0 40 EJAB COC1(OC)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]2CC[C@]2(C)CCC[C@@]32O)C1 3844002 LARNLKQGNRQTPJ-UCWVGABGSA-N 336.516 4.523 0 40 EJAB Cc1ccc2nc(NC(=O)C34CC5CC(CC(C5)C3)C4)sc2c1 3899952 ZYZAUSBUNBRJMK-UHFFFAOYSA-N 326.465 4.760 0 40 EJAB O=C(c1ccco1)N1N=C(c2cccs2)C[C@@H]1c1ccc(Cl)o1 4248221 GRJHSQHPDUUODZ-LLVKDONJSA-N 346.795 4.579 0 40 EJAB O=C(NCc1ccco1)c1csc(Nc2cccc3ccccc23)n1 4675569 OQWKQXZQFYVBJE-UHFFFAOYSA-N 349.415 4.563 0 40 EJAB O=P1(Nc2ccc(F)c(Cl)c2)COc2ccccc2OC1 4742584 ZXORHOTZYLWDTM-UHFFFAOYSA-N 327.679 4.556 0 40 EJAB CC[C@@H](O)c1nc2ccccc2n1CCCCOc1cccc(C)c1 7548392 GLUOFHVIOCUOLV-HXUWFJFHSA-N 338.451 4.647 0 40 EJAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1cc(Cl)cc(Cl)c1 8479539 KGMHSGGNQUARNC-CQSZACIVSA-N 342.197 4.929 0 40 EJAB S=C(NCCc1ccccc1)c1ccccc1OCc1ccccc1 9188112 DEWQWPSUZYSAHQ-UHFFFAOYSA-N 347.483 4.773 0 40 EJAB C/C=C/c1ccc(OCCSc2nc3ccccc3[nH]2)c(OC)c1 9250287 VIQKMWCRLUGFTL-ZZXKWVIFSA-N 340.448 4.776 0 40 EJAB biogenic Cc1ccc(CN2C(=O)c3ccccc3[C@H]2c2c[nH]c3ccccc23)o1 9667294 FETXIOAAAZAQRV-NRFANRHFSA-N 342.398 4.815 0 40 EJAB Cc1cccc(-c2cc(=O)[nH]c(SCc3ccccc3Cl)n2)c1 12016202 ZAWPGBRJJUKHEL-UHFFFAOYSA-N 342.851 4.691 0 40 EJAB Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3ccccc3)c12 12772573 ZILQKPDYLHZVBV-UHFFFAOYSA-N 347.349 4.590 0 40 EJAB O=C(Nc1cccc(Cl)c1Cl)c1ccccc1OC(F)F 15010853 ABMFCUWDSQLKPY-UHFFFAOYSA-N 332.133 4.847 0 40 EJAB COc1ccc2cc([C@H](C)C(=O)Nc3ccc(N(C)C)cc3)ccc2c1 16597210 KJMHWLRYIKMZHX-HNNXBMFYSA-N 348.446 4.657 0 40 EJAB CC[C@@H](NC(=O)CCSCc1ccccc1)c1ccc(OC)cc1 20039732 KWNJMQLJBCIHCE-LJQANCHMSA-N 343.492 4.586 0 40 EJAB O=C(N[C@@H](CCCc1ccccc1)c1ccccc1)c1cccnc1 21964199 XTCAKIOVQBPIDL-NRFANRHFSA-N 330.431 4.576 0 40 EJAB O=C(Nc1ccccc1Cl)c1cccnc1Nc1ccccc1F 22072410 GFCPMISETYPUKL-UHFFFAOYSA-N 341.773 4.870 0 40 EJAB O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(F)c(F)c1 28210810 CJGAKFLYXMDHDE-UHFFFAOYSA-N 335.659 4.889 0 40 EJAB Cc1cccc(C(=O)Nc2ccc(-n3nc(C)c(Cl)c3C)cc2)c1 28573059 IGMPNWGYVATEKK-UHFFFAOYSA-N 339.826 4.703 0 40 EJAB C[C@H](CNC(=O)CCCc1ncc(-c2ccccc2)o1)c1ccccc1 32475979 LQSODYTZYRNPID-QGZVFWFLSA-N 348.446 4.584 0 40 EJAB c1ccc(CN(Cc2ccco2)Cc2nnc(-c3ccccc3)o2)cc1 32664845 KARGZYMZRNLPSY-UHFFFAOYSA-N 345.402 4.532 0 40 EJAB CC[C@@H](NC(=O)c1oc2c(F)cccc2c1C)c1ccc(OC)cc1 32721514 VIPUERPSVGUROT-QGZVFWFLSA-N 341.382 4.770 0 40 EJAB Cc1ccccc1[C@@H]1CCCN1C(=O)Cc1c(F)cccc1Cl 36620630 LSZQJJAZJKAOPZ-SFHVURJKSA-N 331.818 4.694 0 40 EJAB COc1cc(CNc2cccc(Cl)c2C)cc(Cl)c1OC 37196629 WLJNYCVIFKZGIU-UHFFFAOYSA-N 326.223 4.931 0 40 EJAB Cc1ccc(F)c(NC(=O)c2cc(-c3cccc4ccccc34)[nH]n2)c1 44838337 VZGXBQQJJSAHOB-UHFFFAOYSA-N 345.377 4.930 0 40 EJAB O=C(N[C@H](c1ccccc1)C(F)(F)F)c1ccc2ccccc2c1 59301583 YKICNGKITLABCP-QGZVFWFLSA-N 329.321 4.873 0 40 EJAB O=C(Nc1ccccc1N1CCCC1)[C@H]1C[C@@H]1c1cccc(Cl)c1 84506019 ZDLWMMOJQWNNMU-SJORKVTESA-N 340.854 4.682 0 40 EJAB C[C@@H](NC(=S)N1CCC[C@H]1c1cccc(F)c1)c1ccccc1 84656601 BLBAFQKAHLSWPG-KDOFPFPSSA-N 328.456 4.598 0 40 EJAB C[C@@H](NC(=O)c1ccccc1SC(F)F)[C@@H]1C[C@H]2CC[C@H]1C2 104655729 XRXZCEHZDOMXIX-UHXUPSOCSA-N 325.424 4.556 0 40 EJAB CC(=O)O[C@@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CCC(=O)C[C@@H]1C[C@H]3C 118915086 LLEADQQVTIBBHB-SIAZNLBLSA-N 346.511 4.776 0 40 EJAB Cc1cccc(O[C@H](C)C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)c1 223441785 LVVFKIQEJKWVEL-ZWKOTPCHSA-N 325.452 4.565 0 40 EJAB Cc1cc(Cl)ccc1C[C@H](Oc1ccc2ccccc2c1)C(=O)O 225075360 ZMZMVZROKIQSGY-IBGZPJMESA-N 340.806 4.876 0 40 EJAB CCCOc1ccccc1CCCNC(=S)Nc1ccc(F)cc1 225624935 NJOGWOSCRHVDOH-UHFFFAOYSA-N 346.471 4.534 0 40 EJAB Cc1ccc(NC(=O)CSc2nc3cc4ccccc4cc3[nH]2)cc1 409392452 PLTAWFAPJPFPTK-UHFFFAOYSA-N 347.443 4.755 0 40 EJAB c1ccc(-c2ccccc2OCc2nnc([C@H]3CCCCO3)o2)cc1 521393763 FSHMHFIXOKEVGR-GOSISDBHSA-N 336.391 4.557 0 40 EJAB Cc1cnc([C@H]2CCCN(Cc3[nH]c4ccccc4c3Cl)C2)s1 2037849991 CUOPYKKHVGKRGL-ZDUSSCGKSA-N 345.899 4.966 0 40 EJAB COc1ccc(NC(=O)COc2ccc(Cl)cc2)c2ccccc12 265395 VNTWJJXKCKLGBY-UHFFFAOYSA-N 341.794 4.519 0 40 EJAB Cc1ccccc1NC(=O)CN(Cc1ccccc1)Cc1ccccc1 4745039 BJXYHPAJGUMTTH-UHFFFAOYSA-N 344.458 4.636 0 40 EJAB Cc1ccc(C(=O)Nc2c(-c3cccs3)nc3ccccn23)cc1C 5888220 OVLYCPRZKRRHIL-UHFFFAOYSA-N 347.443 4.932 0 40 EJAB O=C(/C=C/c1ccccc1)OCc1csc(-c2ccc(F)cc2)n1 6054116 WMCBDYKBIHSVEZ-IZZDOVSWSA-N 339.391 4.706 0 40 EJAB Clc1ccc2c(c1)C(c1ccccc1Cl)=NCc1cncnc1-2 6095254 CLYXKIKVKJZIOF-UHFFFAOYSA-N 340.213 4.801 0 40 EJAB c1ccc(-c2noc(CSC34CC5CC(CC(C5)C3)C4)n2)cc1 7418249 PHLQOACEYXQQDY-UHFFFAOYSA-N 326.465 4.939 0 40 EJAB COc1ccc(-c2ccc(CNCc3ccccc3)o2)cc1Cl 7539524 DLZXQADFDORENT-UHFFFAOYSA-N 327.811 4.898 0 40 EJAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)/C=C/c1ccc(F)cc1 7706113 GWEBMZOMWUNQHZ-CNELAYHGSA-N 340.423 4.668 0 40 EJAB Cc1nc2cc(NC(=O)c3cc4c(s3)CCCCC4)ccc2o1 8269281 DOLWCSKMKSHAKF-UHFFFAOYSA-N 326.421 4.719 0 40 EJAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc2ccccc2n1 8279127 GRXPACURQDDLPC-ZDUSSCGKSA-N 347.443 4.678 0 40 EJAB CN1C(=O)Cc2cc(-c3csc(-c4ccc(Cl)cc4)n3)ccc21 9482383 UTUDKVFZCKPICE-UHFFFAOYSA-N 340.835 4.649 0 40 EJAB Cc1ccc(CCCNC(=O)CSCc2ccccc2Cl)cc1 13632004 JMVDXPMBIQMFHD-UHFFFAOYSA-N 347.911 4.631 0 40 EJAB COc1ccc2cc([C@H](C)C(=O)N[C@H](C)c3ccccc3)ccc2c1 14171744 KAGMPABCTWFXKG-JKSUJKDBSA-N 333.431 4.829 0 40 EJAB O=C(Nc1cccc(-c2nc(-c3ccccc3)no2)c1)c1ccccc1 15671099 DBEPJCPWMDYHSN-UHFFFAOYSA-N 341.370 4.656 0 40 EJAB Cc1ccc(O[C@H](C)C(=O)N[C@@H](CC(C)C)c2ccccc2)cc1 20105145 JXJFUODVLHEOIS-XLIONFOSSA-N 325.452 4.666 0 40 EJAB COc1ccc2cc(CN[C@H](C)c3ccc(F)cc3F)ccc2c1 25363185 LJHDWMWAFUIVCN-CYBMUJFWSA-N 327.374 4.977 0 40 EJAB Clc1cccc(Cl)c1[C@H]1Nn2c(nnc2-c2ccccc2)S1 27525886 PNKDQHBJQVWVOX-AWEZNQCLSA-N 349.246 4.600 0 40 EJAB Cc1ccc2c(c1)SCC(=S)N2C(=O)c1ccc(Cl)cc1 28527688 MUWXKOTVOIUBNJ-UHFFFAOYSA-N 333.865 4.728 0 40 EJAB CSc1ccccc1NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1C 30759024 YNOSXTBCIAGPEB-OAHLLOKOSA-N 329.465 4.740 0 40 EJAB Cc1ccc(-c2ccc(CCC(=O)NCCc3ccccc3)o2)cc1C 33027735 FWYPQFKUKNXEML-UHFFFAOYSA-N 347.458 4.855 0 40 EJAB COc1cc(CO)cc(Cl)c1OCc1ccc2ccccc2c1 34772862 WHTBMBPRQUXXIV-UHFFFAOYSA-N 328.795 4.573 0 40 EJAB COc1ccc(NC(=O)Cc2coc3cc(C)c(Cl)c(C)c23)cc1 39892993 SGQGEFDAISLAJN-UHFFFAOYSA-N 343.810 4.893 0 40 EJAB O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(-c2cnco2)cc1 40150751 MIXYXEYRLJXPOP-UHFFFAOYSA-N 347.418 4.584 0 40 EJAB Cc1csc(Sc2ccc(NC(=O)N[C@H](C)C(C)C)cc2)n1 40158650 FGHXBHOGWJASOB-GFCCVEGCSA-N 335.498 4.769 0 40 EJAB CC[C@H](Oc1ccccc1C)C(=O)N[C@H](C)c1cc(C)ccc1C 44903811 MCSZWOIZJVZYGN-MJGOQNOKSA-N 325.452 4.647 0 40 EJAB Cc1nn(C(C)C)c(C)c1NC(=O)CCCOc1ccccc1Cl 50587866 CCNMTHWXGDTNIB-UHFFFAOYSA-N 349.862 4.532 0 40 EJAB COc1ccc2nc(Nc3nc4cc(C)c(C)cc4o3)sc2c1 57352985 XEQMVHQPCWKDIH-UHFFFAOYSA-N 325.393 4.807 0 40 EJAB CNc1nc2c(s1)[C@@H](c1c(Cl)cccc1Cl)CC(O)=N2 61717585 SBTJFNYPCIJVAV-ZCFIWIBFSA-N 328.224 4.615 0 40 EJAB O=C(/C=C/c1ccccc1Cl)N1CCC(c2cccs2)CC1 75157041 UHINDKJFWDRLOH-BQYQJAHWSA-N 331.868 4.821 0 40 EJAB Cc1nc2ccc(NC(=O)N3CCCCC[C@H]3c3ccco3)cc2o1 77261213 UWWZPTYYZSKXMH-INIZCTEOSA-N 339.395 4.878 0 40 EJAB CC[C@@H](Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)c1ccc(Cl)cc1 78972556 ONGNSVCFVFAFRC-IAQYHMDHSA-N 330.815 4.623 0 40 EJAB COC(=O)[C@@H]1[C@@H](c2ccc(-c3ccccc3)cc2)N1C1CCCCC1 90513738 IORCSIWZIMABRA-VXVSGHKGSA-N 335.447 4.585 0 40 EJAB CCCn1/c(=N/C(=O)c2ccc(Cl)s2)sc2ccccc21 101061354 NWSPBPKTJZJEEW-ICFOKQHNSA-N 336.869 4.569 0 40 EJAB Cc1cc(C)cc(N2C(=O)N[C@H]3C[C@@]2(C)Oc2ccc(Cl)cc23)c1 102225808 XSZQBBFXIUGVBC-QFBILLFUSA-N 342.826 4.726 0 40 EJAB O=C1S/C(=C/c2cccc(F)c2)C(=O)N1c1cccc(Cl)c1 210198953 WWYOCWAQBJTDFJ-RIYZIHGNSA-N 333.771 4.720 0 40 EJAB CCc1ccc(CC)c(CNC(=O)[C@H](C)Sc2ccccc2)c1 223849133 CCPKUQQPAYEQGE-HNNXBMFYSA-N 327.493 4.608 0 40 EJAB CCC1(CC)C[C@H](NC(=O)Cc2ccccc2F)c2ccccc2O1 225444146 AKRWLKHPVPXTHX-SFHVURJKSA-N 341.426 4.567 0 40 EJAB CC1(C)C[C@H](NC(=S)Nc2ccc(F)cc2F)c2ccccc2O1 225577055 PBMKDSQZWRLNQT-HNNXBMFYSA-N 348.418 4.554 0 40 EJAB CC(=O)c1csc(C(=O)N(c2cnc3ccccc3c2)C(C)C)c1 390835320 KOHYLTFJVHLPLK-UHFFFAOYSA-N 338.432 4.554 0 40 EJAB CCCCOc1ccc(Cl)cc1C(=O)Nc1ccccc1OC 408585499 GDPKCEVJRYOADV-UHFFFAOYSA-N 333.815 4.780 0 40 EJAB CC(C)N(C(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1)C(C)C 49395 CKNRUUHIOKNIKO-UHFFFAOYSA-N 349.434 4.663 0 40 EJAB CC(C)CN(CC(C)C)c1nc(-c2cccnc2)nc2ccccc12 947599 UPYGENNNUONIRY-UHFFFAOYSA-N 334.467 4.810 0 40 EJAB CC1(C)C[C@@H]([C@H](CCNCc2ccco2)Cc2ccccc2)CCO1 1817953 VGFDASKIEQFNNO-UXHICEINSA-N 341.495 4.823 0 40 EJAB biogenic O=C(c1ccc(CN2CCCCC2)cc1)c1cccc(C(F)(F)F)c1 2514522 ZDDYZBNTBMCOCX-UHFFFAOYSA-N 347.380 4.922 0 40 EJAB CCCCCCOc1ccccc1/C=C1\N=C(c2ccccc2)OC1=O 2924768 CGHJCRAEMVOSRH-MNDPQUGUSA-N 349.430 4.990 0 40 EJAB Brc1ccc(SCc2nnc(-c3ccccc3)o2)cc1 3551966 VCDDFBFSSOGSFT-UHFFFAOYSA-N 347.237 4.791 0 40 EJAB Cc1ccc(F)c(NC(=O)COc2ccccc2-c2ccccc2)c1 5510100 CUNQNJIXDXQQBM-UHFFFAOYSA-N 335.378 4.819 0 40 EJAB Cc1cc(C)c(-c2csc(NC(=O)/C=C/c3ccco3)n2)c(C)c1 5578498 BRBAMXKMAJEISX-VOTSOKGWSA-N 338.432 4.980 0 40 EJAB Cc1ccc(CC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1C 6085885 ILVOPEPIFPTHME-VXRQLKRISA-N 325.496 4.567 0 40 EJAB CCOc1ccccc1NC(=O)COc1cc(C)ccc1C(C)C 6304070 NJRHICIVXZGTHY-UHFFFAOYSA-N 327.424 4.535 0 40 EJAB O=C(c1ccccc1)N(Cc1cccc(Cl)c1)Cc1ccco1 6810639 RYWKRYZQBUTMRG-UHFFFAOYSA-N 325.795 4.776 0 40 EJAB CCOc1ccccc1OCC(=O)Nc1ccc(-c2ccccc2)cc1 8156960 HZXDQZMHUBBYAC-UHFFFAOYSA-N 347.414 4.770 0 40 EJAB CCOc1ccc(NC(=O)c2occc2COc2ccccc2)cc1 8708976 PHOSPFRJMMXWSG-UHFFFAOYSA-N 337.375 4.510 0 40 EJAB COc1ccc(-c2nc(-c3ccc(OC)c(OC)c3)sc2C)cc1 9053080 OMGKPEUDLSLLOZ-UHFFFAOYSA-N 341.432 4.811 0 40 EJAB COc1cc(C)ccc1OCc1ccc(C(=O)Nc2ccccc2)cc1 9613678 UHSJPCMFMNUXPV-UHFFFAOYSA-N 347.414 4.835 0 40 EJAB C[C@H](Oc1ccc(F)cc1)C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 10276531 ZSBGSFUZKIWSJV-GJZGRUSLSA-N 343.442 4.768 0 40 EJAB COc1ccc2c(c1)CCCN2C(=O)c1cc(Cl)ccc1Cl 10541947 XOTJUOZSCYCLLI-UHFFFAOYSA-N 336.218 4.595 0 40 EJAB CCc1ccccc1NC(=O)CNc1ccccc1-c1ccccc1 11618996 NADMRKHQMCVLEL-UHFFFAOYSA-N 330.431 4.967 0 40 EJAB O=C(c1cc(F)cc(F)c1)N1[C@H]2CC[C@@H]1CC(c1ccc(F)cc1)C2 12180976 FXPHNTDMOQHDQC-IOZLHOSZSA-N 345.364 4.655 0 40 EJAB Cc1cc(OCCCC(=O)N[C@@H](C)c2cccs2)ccc1Cl 12804838 FMMUUVSLOHOUQR-ZDUSSCGKSA-N 337.872 4.746 0 40 EJAB C[C@@H](NC(=O)CCc1c[nH]c2ccccc12)c1ccc(Cl)cc1 13004854 YFDMSILCBJNXEP-CYBMUJFWSA-N 326.827 4.631 0 40 EJAB O=C(c1cccs1)N(Cc1cccc(Cl)c1)Cc1ccco1 15831067 SJBXDJDCFQPPOG-UHFFFAOYSA-N 331.824 4.837 0 40 EJAB O=C(NCc1ccc(Cl)cc1Cl)Nc1ccc2c(c1)CCC2 20494122 XTDHBHYYVFEUEC-UHFFFAOYSA-N 335.234 4.804 0 40 EJAB CCn1c(C)c(C)c2cc(C(=O)Nc3ccc(Cl)cn3)ccc21 27980669 IBMUMWGKWLOMRL-UHFFFAOYSA-N 327.815 4.579 0 40 EJAB O=C(Nc1cccnc1)[C@@H]1CCCC[C@@H]1c1nc2ccccc2s1 32904764 IAALHLOENOLSNC-CABCVRRESA-N 337.448 4.604 0 40 EJAB Cc1ccc(-c2nc(CSc3nc4cc(C)ccc4[nH]3)no2)cc1 32905988 UHHHDEMHYJMLHF-UHFFFAOYSA-N 336.420 4.522 0 40 EJAB O=C(c1csc2c1CCCC2)N1CCC(Cc2ccccc2)CC1 32997983 TWFXSKQZRNELOR-UHFFFAOYSA-N 339.504 4.722 0 40 EJAB O=C(Nc1cccc2cccnc12)c1cc(-c2ccccc2Cl)on1 36398365 DBUDFZVJCLLRJY-UHFFFAOYSA-N 349.777 4.796 0 40 EJAB Cc1ncc(-c2ccc(NC(=O)c3ccc(OC(F)F)cc3)cc2)o1 40052069 MCWLXRZESXPNIU-UHFFFAOYSA-N 344.317 4.504 0 40 EJAB CCOC(=O)c1ccoc1COc1cc(Cl)c(Cl)cc1Cl 40059285 IZIJSBYEYKVWPE-UHFFFAOYSA-N 349.597 4.996 0 40 EJAB CCOc1ccccc1NC(=O)N(CC)Cc1ccc(Cl)s1 40098764 CLCNIIMTRODORT-UHFFFAOYSA-N 338.860 4.854 0 40 EJAB CCN(Cc1ccc(Cl)s1)C(=O)c1cc(-c2ccccc2)no1 48250248 UGKCMUANBYFLES-UHFFFAOYSA-N 346.839 4.719 0 40 EJAB CC[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1)c1ccc(C)cc1 59351784 NWKKVMWDHLLGNG-KXBFYZLASA-N 345.870 4.992 0 40 EJAB Cc1cc(C)c(C)c(OCC(=O)Nc2cc(Cl)ccc2Cl)c1 59399826 CMCHWGUNXYZOLU-UHFFFAOYSA-N 338.234 4.936 0 40 EJAB CCCCC(=O)Nc1cccc(-c2nc3cc(OC)ccc3o2)c1C 72260295 CFWPEYMFJRUIQF-UHFFFAOYSA-N 338.407 4.941 0 40 EJAB Clc1ccccc1CN1CCc2sc(Br)cc2C1 95097541 MPGAWFGCXCAWKR-UHFFFAOYSA-N 342.689 4.722 0 40 EJAB CCOC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccccc1 103591653 JGZZHZJZONSRAT-SFHVURJKSA-N 339.435 4.694 0 40 EJAB FC(F)(F)Oc1ccc(OCc2cccc(Br)c2)cc1 135004989 QUXDPFODTWQSEX-UHFFFAOYSA-N 347.130 4.927 0 40 EJAB CC[C@@H](NC(=O)COc1cc(C)cc(C)c1C)c1ccc(C)c(C)c1 218969682 VSTMITAUNHEVKF-HXUWFJFHSA-N 339.479 4.875 0 40 EJAB CC[C@@H](NC(=O)COc1cc(C)cc(C)c1C)c1ccc(C)cc1C 218969762 LHQMJEVCGZAGPN-HXUWFJFHSA-N 339.479 4.875 0 40 EJAB O=C(Nc1ccccc1Cl)N1CCS[C@@H](c2ccco2)CC1 219432527 CYQIJSFTRKXARV-OAHLLOKOSA-N 336.844 4.645 0 40 EJAB CCCC[C@@H](CC)CNC(=O)CSCc1ccccc1Cl 223402703 HTDBAYUCFHPSRR-CQSZACIVSA-N 327.921 4.906 0 40 EJAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cccc(Cl)c1 224907897 BWYWTHWINNDPTD-ZDUSSCGKSA-N 329.827 4.625 0 40 EJAB CCCc1s/c(=N\C(=O)c2ccco2)n(CC)c1-c1ccccc1 408561530 JFVMILHQLBSRRT-VXPUYCOJSA-N 340.448 4.523 0 40 EJAB CCCC[C@@H](CC)COC(=O)CCSc1ccnc(N)c1Cl 1565504931 TZDIGQNYLANFEA-GFCCVEGCSA-N 344.908 4.559 0 40 EJAB c1ccc(C2=NO[C@@H](Cn3c4ccccc4c4ccccc43)C2)cc1 527475 NPVVJFAKHILPMK-QGZVFWFLSA-N 326.399 4.988 0 40 EJAB Cc1ccc(S(=O)(=O)Nc2cccc3cc(Cl)ccc23)cc1 1871855 SIEAZKUCBOCXER-UHFFFAOYSA-N 331.824 4.602 0 40 EJAB CC(=O)c1sc(NC(=O)c2cccc(C)c2)nc1-c1ccccc1 4070019 IWEQDFNVLONXGI-UHFFFAOYSA-N 336.416 4.573 0 40 EJAB COC(=O)c1ccc(CSc2cc(C)c3cc(C)cc(C)c3n2)o1 6330363 WHTNXYZDYOFMLE-UHFFFAOYSA-N 341.432 4.832 0 40 EJAB O=C(CSCc1ccc(Cl)s1)Nc1ccc(Cl)cc1 6586116 VGEPTHRSGMLWCB-UHFFFAOYSA-N 332.277 4.927 0 40 EJAB COc1cc(C(=O)Nc2cccc3ccccc23)cc(Cl)c1OC 6735628 KEKKFIHCODTIAE-UHFFFAOYSA-N 341.794 4.763 0 40 EJAB CC[C@@H](C)NS(=O)(=O)c1ccc(Sc2cc(C)ccc2C)cc1 6937788 PVFOOGMDZJEUNS-OAHLLOKOSA-N 349.521 4.531 0 40 EJAB COc1cccc(C(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)c1 7686038 JAWAMDIECTXUMM-OAQYLSRUSA-N 331.415 4.523 0 40 EJAB O=C(c1cc(C2CC2)nc2ccccc12)N1CC[C@H]2CCCC[C@@H]2C1 8095389 DPSAIWDJHIMADS-NVXWUHKLSA-N 334.463 4.765 0 40 EJAB O=C(N[C@H](c1ccc(F)cc1)c1cccs1)c1ccc(F)cc1 8393309 YWKRYZWYGVIEIM-QGZVFWFLSA-N 329.371 4.546 0 40 EJAB COC(=O)c1ccccc1NC(=O)c1cccc2c(Cl)cccc12 9141689 BLMKFDYUJPPQTB-UHFFFAOYSA-N 339.778 4.532 0 40 EJAB O=C(CCc1ncc(-c2ccccc2)o1)Nc1nc2ccccc2s1 11327734 USKARBVJIRQXTA-UHFFFAOYSA-N 349.415 4.523 0 40 EJAB CCC[C@@H](O)c1nc2ccccc2n1CCOc1ccc(Cl)cc1 11692486 DYWUHNDQYUOFJV-GOSISDBHSA-N 344.842 4.602 0 40 EJAB Cc1ccccc1C(=O)Nc1ccc(OCCOc2ccccc2)cc1 12137643 JKOGQGPEAIXWSH-UHFFFAOYSA-N 347.414 4.705 0 40 EJAB Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3ccc(F)cc3)c12 12227163 XJSGCHKPERZICA-UHFFFAOYSA-N 347.349 4.590 0 40 EJAB Cc1ccc(CNC(=O)c2ccccc2OCc2ccccc2)cc1 13687019 CUBDSSXXZCIVKS-UHFFFAOYSA-N 331.415 4.504 0 40 EJAB CCc1ccc(-c2csc(NC(=O)c3sc(C)nc3C)n2)cc1 14620856 TWNODADBAWOHAC-UHFFFAOYSA-N 343.477 4.698 0 40 EJAB Cc1ccc(C)c(NC(=O)c2ccc(OCc3cscn3)cc2)c1 15627903 VRILNGRSNGPJGY-UHFFFAOYSA-N 338.432 4.591 0 40 EJAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CCC(C)CC1 17355664 OWZXELCWJIMJQW-UHFFFAOYSA-N 334.872 4.644 0 40 EJAB Fc1cc(F)cc(NC(=S)Nc2cccc(Br)c2)c1 17515758 JOCGPAGARZGZFI-UHFFFAOYSA-N 343.196 4.536 0 40 EJAB O=C(NCc1ccc(C(F)(F)F)cc1)Nc1cccc(Cl)c1 17744865 LKJXFSDTPVTQKK-UHFFFAOYSA-N 328.721 4.681 0 40 EJAB O=C(Nc1ccccc1Br)c1cc2ccccc2s1 18114077 ODFGUKSWWQPZFB-UHFFFAOYSA-N 332.222 4.916 0 40 EJAB CC[C@@H](NC(=O)CCSCc1ccccc1)c1ccc(C)cc1 20455462 STMWWBNIGZBGGU-LJQANCHMSA-N 327.493 4.886 0 40 EJAB COc1ccc2nc(C)c(C(=O)Nc3ccc(F)c(Cl)c3)cc2c1 25765787 OXCVXZOTOJASGX-UHFFFAOYSA-N 344.773 4.597 0 40 EJAB CCOc1ccc(-c2noc(CNc3cccc4ccccc34)n2)cc1 26781442 ACXGXRPRJNTFKM-UHFFFAOYSA-N 345.402 4.901 0 40 EJAB O=C(c1ccco1)N(Cc1ccco1)Cc1c(F)cccc1Cl 28250917 PNYURIRBZYWPCS-UHFFFAOYSA-N 333.746 4.508 0 40 EJAB O=C(Nc1nc2ccc(F)cc2s1)C1(c2ccccc2)CCCC1 30822829 PHCQIXQRERJCGH-UHFFFAOYSA-N 340.423 4.886 0 40 EJAB Cc1cc(C(=O)Nc2ccc3c(c2)OCO3)c(C)n1C1CCCCC1 32850679 FFLASUFIBBLUHA-UHFFFAOYSA-N 340.423 4.591 0 40 EJAB CC(C)Oc1cccc([C@H](C)NC(=O)CSCc2cccs2)c1 40108212 IHGRTCYHPBYKCQ-AWEZNQCLSA-N 349.521 4.646 0 40 EJAB O=C(Nc1ccccc1-c1ccccc1)N[C@H]1COc2ccccc21 58605549 APEINCLOFJWYQQ-IBGZPJMESA-N 330.387 4.609 0 40 EJAB Cc1cc(C)n(-c2nc(-c3ccc(Cl)cc3)c3ccccc3n2)n1 69374841 GUEKNFPTNCLYQA-UHFFFAOYSA-N 334.810 4.753 0 40 EJAB CCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2C(C)C)cn1 72214678 KEQPNMBJMUFZDF-QGZVFWFLSA-N 347.503 4.778 0 40 EJAB Cc1ccc(C(=O)Nc2nc(S)oc2-c2ccc(Cl)cc2)cc1 72238665 SVIGWGQBZNDVPO-UHFFFAOYSA-N 344.823 4.844 0 40 EJAB Cc1ccc(C)c([C@@H](C)NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1 78458814 UIEQTIPTFBJCBK-OAHLLOKOSA-N 345.870 4.992 0 40 EJAB CCS[C@@H]1CC[C@@H](N[C@@H](C)c2cc(Cl)c(N)c(Cl)c2)C1 95444380 IAJBWDLSSIBMSE-MVWJERBFSA-N 333.328 4.900 0 40 EJAB COc1ccccc1[C@@H]1C2=C(O)CC(C)(C)CC2=Nc2onc(C)c21 102720999 RPXSBFXCHIBBAG-KRWDZBQOSA-N 338.407 4.842 0 40 EJAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1cc(Cl)ccc1OC 222949036 VGUILVYYTZUFFD-MRXNPFEDSA-N 347.842 4.762 0 40 EJAB CCCOCc1cc(C(=O)Nc2ccc(C(C)C)cc2)ccc1OC 224412492 QDUNPQDZBYHTDD-UHFFFAOYSA-N 341.451 4.998 0 40 EJAB O=C(NCCSCc1ccc(Cl)cc1Cl)c1ccccc1 408907779 RNDSYVBZIKXWHN-UHFFFAOYSA-N 340.275 4.657 0 40 EJAB CSc1ccccc1C(=O)NC[C@H](c1ccco1)c1cccs1 585146671 AXMYXSLQGDDAIB-CQSZACIVSA-N 343.473 4.625 0 40 EJAB O=C(/C=C/c1ccccc1)Nc1ccc(C(=O)OC2CCCCC2)cc1 147040 MCJBELBZSCKYSP-LFIBNONCSA-N 349.430 4.828 0 40 EJAB CC(C)(C)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 549796 QRJLZVDWLBECPU-HNNXBMFYSA-N 330.815 4.657 0 40 EJAB CCOC(=O)c1c(CSc2ccccc2)oc2ccc(OC)cc12 552884 NHUJNHARTGIJJM-UHFFFAOYSA-N 342.416 4.910 0 40 EJAB CCN(CC)CCCCCCNc1cc(OC)c(C)c2cccnc12 1683239 BTHUSZGHPZNEAM-UHFFFAOYSA-N 343.515 4.866 0 40 EJAB CCc1ccccc1NC(=O)[C@@H]1[C@@H](c2ccccc2)C1(Cl)Cl 2188548 QQAFPMSTDLZFFD-CVEARBPZSA-N 334.246 4.775 0 40 EJAB Cc1ccc(COC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)cc1 3439701 OGQZOPOSULJVOS-UHFFFAOYSA-N 349.386 4.506 0 40 EJAB FC(F)(F)c1cccc([C@@H](OCCN2CCCC2)c2ccccc2)c1 3640548 OXZBMTDAPMORBJ-IBGZPJMESA-N 349.396 4.907 0 40 EJAB Clc1ccc(COc2cccc(CNCc3cccnc3)c2)cc1 4675756 HDWAWUJEQQVUNN-UHFFFAOYSA-N 338.838 4.604 0 40 EJAB CCc1cccc(C)c1NC(=O)c1cc(Cl)c2c(c1)OCCCO2 5403774 HVNZOMRYKXZIPP-UHFFFAOYSA-N 345.826 4.624 0 40 EJAB CCc1ccccc1NC(=O)CS[C@H](C)c1nc2ccccc2[nH]1 7724155 HNQSLLAURRVTOW-CYBMUJFWSA-N 339.464 4.558 0 40 EJAB Clc1nccc(Oc2ccc3cc(Br)ccc3c2)n1 7737361 WZVAMXQLUPXKLX-UHFFFAOYSA-N 335.588 4.838 0 40 EJAB COc1ccc(SCC(=O)Nc2ccc3c4c(cccc24)CC3)cc1 10022879 HPMTWEICCOTDBT-UHFFFAOYSA-N 349.455 4.678 0 40 EJAB CCn1c(CNC2(c3ccc(OC)cc3)CCCC2)nc2ccccc21 12147581 FLOUTSTUYQEERO-UHFFFAOYSA-N 349.478 4.624 0 40 EJAB O=C(CCC(=O)c1ccc(-c2ccccc2)cc1)NCc1cccs1 12977818 IBJVYIFSTUVULJ-UHFFFAOYSA-N 349.455 4.694 0 40 EJAB COc1ccc(NC(=O)c2ccccc2F)cc1Cc1ccccc1 12996463 CYQCPJJQLQDBLO-UHFFFAOYSA-N 335.378 4.677 0 40 EJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N1CCCc2ccccc21 20111053 XERHNOMKWOSCJI-QFIPXVFZSA-N 345.442 4.977 0 40 EJAB CCc1cccc(CC)c1NC(=O)c1cc2cc(OC)ccc2nc1C 25767148 UPEINRGFMYUWRP-UHFFFAOYSA-N 348.446 4.929 0 40 EJAB O=C(CCCc1ccccc1)N(Cc1ccc2cc[nH]c2c1)C1CC1 32090374 SURJDRYVGNGQBM-UHFFFAOYSA-N 332.447 4.682 0 40 EJAB COc1ccc(CN(C(=O)c2cc3ccccc3s2)C2CC2)cc1 32740916 FYEFJHAHARZSPW-UHFFFAOYSA-N 337.444 4.715 0 40 EJAB CC(C)c1cnc(CSc2nc(-c3ccc(Cl)cc3)n[nH]2)o1 71904406 JFQRCMPTBYHIHW-UHFFFAOYSA-N 334.832 4.529 0 40 EJAB CCc1ccc([C@H](C)NC(=O)[C@H](CC)Oc2ccc(C)c(C)c2)cc1 78458402 SMYARNVJRKAJDF-UWJYYQICSA-N 339.479 4.901 0 40 EJAB O=C(NCc1ccc(F)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1 96171193 NIWMOYNOFRSBHY-UHFFFAOYSA-N 346.711 4.820 0 40 EJAB Cc1nn2c(O)cc(Cc3ccccc3)nc2c1-c1ccc(Cl)cc1 102662958 STCLFYXTSYIMBZ-UHFFFAOYSA-N 349.821 4.655 0 40 EJAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCc2ccccc21 222927550 BEICBUBDVKJVRI-FQEVSTJZSA-N 337.463 4.731 0 40 EJAB CCc1ccc(CC(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)cc1 223650448 PMPNHYWYSQTSFM-IBGZPJMESA-N 337.463 4.519 0 40 EJAB S=C(Nc1nccc(-c2cccs2)n1)NC1CCCCCCC1 225186138 CHFWJCKVWNGDBF-UHFFFAOYSA-N 346.525 4.604 0 40 EJAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cccc(Cl)c3)S2)cc1 408775560 IMMBTLHCQYBVIP-QMJOVRGKSA-N 344.867 4.502 0 40 EJAB CC(C)[C@@H]1CCCCN1c1cc(C(F)(F)F)c2cccc(N)c2n1 685938307 QIIZEWNTUBQYLZ-HNNXBMFYSA-N 337.389 4.851 0 40 EJAB CCOc1ccc2cc(-c3ccc(Br)cc3)c(=O)oc2c1 57978 BQCUMWYNIMFBKQ-UHFFFAOYSA-N 345.192 4.621 0 40 EJAB biogenic Cc1ccccc1NC[C@H](O)Cn1c2ccccc2c2ccccc21 333029 ILHMWIUXYRUUHN-KRWDZBQOSA-N 330.431 4.576 0 40 EJAB O=C(CSc1ccccc1)Nc1nc(-c2ccccc2)cs1 1392121 AQNHBQXIJASFLZ-UHFFFAOYSA-N 326.446 4.541 0 40 EJAB O=C(c1ccccc1)[C@@H]1C(c2ccccc2)[C@H]1C(=O)c1ccccc1 1674357 PWMYSWOKRDUMGE-NHCUHLMSSA-N 326.395 4.782 0 40 EJAB CCOc1ccc(/C=C2\N=C(c3ccc(C(C)(C)C)cc3)OC2=O)cc1 3258992 PYWGEBIIPMRWPH-RGEXLXHISA-N 349.430 4.727 0 40 EJAB C/C=C/c1cc(OC)c2c(c1)[C@@H](C)[C@H](c1ccc(OC)c(OC)c1)O2 5132927 ITFKWUHXYCXXFF-XSOBDOKWSA-N 340.419 4.983 0 40 EJAB biogenic,in-vitro O=C(c1ccccc1)N(Cc1ccco1)Cc1ccccc1Cl 6810605 UFZCABMGMQCGNY-UHFFFAOYSA-N 325.795 4.776 0 40 EJAB COC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1cccs1 11612202 UMYUYDAETQTEGZ-UHFFFAOYSA-N 343.429 4.516 0 40 EJAB CSc1cccc(NC(=O)c2c[nH]c(=S)n2-c2ccccc2)c1 12564917 CULAYKFEVKHLMO-UHFFFAOYSA-N 341.461 4.509 0 40 EJAB Cc1nc2ccccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1 13652497 LWJXRCBLGRHIHY-UHFFFAOYSA-N 342.398 4.758 0 40 EJAB O=C(NC(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1F 15583070 BVSJWOMVTBRLBE-UHFFFAOYSA-N 339.797 4.999 0 40 EJAB Oc1ccc(-c2nnc(Nc3ccc(F)cc3)c3ccccc23)cc1 17138234 IELKXUYSHIPHHV-UHFFFAOYSA-N 331.350 4.885 0 40 EJAB CCc1cccc(CC)c1NC(=O)[C@H](CC)Oc1ccccc1C 20451043 IMIWERYSYYAZLN-SFHVURJKSA-N 325.452 4.916 0 40 EJAB COc1ccc([C@H]2CCCCCN2C(=O)c2ccc(F)cc2F)cc1 24392244 FEBBFQNZQDYLRE-LJQANCHMSA-N 345.389 4.731 0 40 EJAB CSc1cccc(NC(=O)CCC(=O)c2cc(C)sc2C)c1 25419039 MWXZYTYWJGBQME-UHFFFAOYSA-N 333.478 4.688 0 40 EJAB CC(=O)c1cc(Cl)ccc1OCc1coc(-c2cccc(F)c2)n1 26007703 ODCLTZPSTNOAGS-UHFFFAOYSA-N 345.757 4.916 0 40 EJAB Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)CCC1CCCC1 27921814 ULSIKSIDYGBDHQ-UHFFFAOYSA-N 343.446 4.596 0 40 EJAB CC(C)c1ccccc1O[C@H](C)C(=O)NCc1ccccc1Cl 44880511 QDWOUZLTEONCAQ-CQSZACIVSA-N 331.843 4.547 0 40 EJAB Cc1cc2oc(=O)cc(CN(C)Cc3ccccc3)c2cc1C(C)C 57406052 AYFUMZYGRRTFIH-UHFFFAOYSA-N 335.447 4.857 0 40 EJAB C[C@@H](NCc1nnc(-c2ccccc2Cl)o1)c1ccccc1Cl 58342647 GMWUXKTYCOGRER-LLVKDONJSA-N 348.233 4.894 0 40 EJAB Cc1c(C(=O)N(C)CCc2ccncc2)oc2c1ccc1ccccc12 63529674 HSOWSTXYQGVMAH-UHFFFAOYSA-N 344.414 4.604 0 40 EJAB Cc1ccc2oc(/C=C/C(=O)NCc3ccccc3Cl)cc2c1 67339685 GLUSDOAAJVHVQZ-VQHVLOKHSA-N 325.795 4.724 0 40 EJAB O=C(Nc1ccc2nc(-c3cccnc3)[nH]c2c1)c1ccccc1Cl 71280773 CRJHHUUXGWSNMR-UHFFFAOYSA-N 348.793 4.531 0 40 EJAB CC(C)(C)OC(=O)N1CCC[C@H]1c1cccnc1Nc1ccccc1 72214136 RNFNCEZSJNSVGL-KRWDZBQOSA-N 339.439 4.897 0 40 EJAB COCc1ccc(CNCc2cc3cc(Cl)c(Cl)cc3[nH]2)cc1 72312292 ZRIZZCGREJKNMZ-UHFFFAOYSA-N 349.261 4.911 0 40 EJAB N=c1oc2ccc(Cl)cc2cc1C(=O)Nc1ccc2ccccc2c1 96136859 HACWJTODAYFCMV-UHFFFAOYSA-N 348.789 4.971 0 40 EJAB CC[C@@](CNC(=O)c1cc2ccccc2s1)(OC)c1ccccc1 96391827 XPSOXNDIXRFECG-FQEVSTJZSA-N 339.460 4.583 0 40 EJAB Cc1ccc(-c2nc(C)c([C@@H](C)N[C@@H](C)c3cnn(C)c3)s2)cc1 96477344 MDLAOYIMGBHMSF-UONOGXRCSA-N 340.496 4.572 0 40 EJAB COc1ccccc1-c1cccc(NC(=O)N[C@@H](C)c2cccnc2)c1 111774714 ILDOYXRTTSASOT-HNNXBMFYSA-N 347.418 4.640 0 40 EJAB O=C1S/C(=C/c2ccc(Cl)cc2)C(=O)N1Cc1ccccc1F 214366725 YSMARTYHMZDIHS-OQLLNIDSSA-N 347.798 4.716 0 40 EJAB O=C1S/C(=C/C=C/c2ccccc2)C(=O)N1Cc1ccccc1F 214379096 CBDYEVKJHITRPL-YIERNNEGSA-N 339.391 4.618 0 40 EJAB CCOc1ccc(C(=O)N[C@H](C)c2ccc(C)cc2C)cc1Cl 225133860 HYLAHNCDURIGSJ-CQSZACIVSA-N 331.843 4.847 0 40 EJAB Cc1ccc(C)c(NC(=S)NCCCc2ccccc2Cl)c1 225539320 YNSPLQUWPWTSPH-UHFFFAOYSA-N 332.900 4.876 0 40 EJAB Cc1cc(O[C@@H](C)C(=O)NC(C)(C)Cc2ccccc2)ccc1Cl 225725692 QFWOFIHOBYRGHT-HNNXBMFYSA-N 345.870 4.553 0 40 EJAB C[C@H](O)c1cccc(NC(=O)c2cccc(OCc3ccccc3)c2)c1 226274471 BCSCJOQOYNIYQU-INIZCTEOSA-N 347.414 4.571 0 40 EJAB O=C1N(c2ccc(Cl)cc2)[C@H](c2ccc(Cl)cc2)N2CCCN12 547610 UZCHRESNJPUUIR-MRXNPFEDSA-N 348.233 4.555 0 40 EJAB CCC(=O)N1c2ccc(Cl)cc2[C@H]2OCC[C@H]2[C@H]1c1ccco1 1424547 DKDKVIPKAZQOEX-IGNZVWTISA-N 331.799 4.509 0 40 EJAB O=C(c1ccc(Cl)c(F)c1)c1ccccc1CN1CCCCC1 2515515 MMENGZHREUNMNM-UHFFFAOYSA-N 331.818 4.696 0 40 EJAB C[C@H]1CCc2c(sc3ncnc(OCc4ccc(F)cc4)c23)C1 2640046 XKTYNLFXXMDHAM-NSHDSACASA-N 328.412 4.534 0 40 EJAB CCC(=O)Nc1cc(NC(=O)CC)c(C)c(Sc2ccccc2)c1 3127197 DHYQKQJRPDPQLW-UHFFFAOYSA-N 342.464 4.843 0 40 EJAB CCCOc1ccc(/C=C2/C(=O)Nc3ccccc32)c(OCCC)c1 3369823 CODRRTHDNKXPKO-QGOAFFKASA-N 337.419 4.757 0 40 EJAB Cc1ccc(C(=O)Nc2c(-c3ccccc3)nc3ccccn23)cc1C 3906481 XSMLAYOMZXQCNO-UHFFFAOYSA-N 341.414 4.870 0 40 EJAB O=C(O)Cc1sc(Nc2ccccc2)nc1-c1ccc(Cl)cc1 4636253 WFGFPCQTDIRWHS-UHFFFAOYSA-N 344.823 4.834 0 40 EJAB Cc1cc(SCC(=O)NC2CCCCCCC2)nc2ccccc12 5656611 DOMNKXMFAXKMGC-UHFFFAOYSA-N 342.508 4.864 0 40 EJAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)CSc1nc2ccccc2o1 6046931 FNUUPZLUHRSIRV-JKIFEVAISA-N 347.480 4.924 0 40 EJAB CCCC(=O)c1cn(CC(=O)Nc2ccccc2C)c2ccccc12 6417528 WSVUDLOOKIWXSJ-UHFFFAOYSA-N 334.419 4.571 0 40 EJAB CC(=O)c1cn([C@H](C)C(=O)Nc2ccc(C)cc2C)c2ccccc12 6964547 APXCAZVWSTVZAY-OAHLLOKOSA-N 334.419 4.660 0 40 EJAB Cc1ccc(C(=O)N2CCc3sccc3[C@H]2c2cccs2)cc1 7947042 GLWCBQUXXACFSB-SFHVURJKSA-N 339.485 4.906 0 40 EJAB Cc1ccc(N(C(=O)c2ccccc2C)C(=O)N2CCCCC2)cc1 9317750 SXMTVMHSZCGSNL-UHFFFAOYSA-N 336.435 4.556 0 40 EJAB CCOc1cccc2sc(NC(=O)Cc3ccc(Cl)cc3)nc12 12347642 YMIQLYJNQHCXKG-UHFFFAOYSA-N 346.839 4.530 0 40 EJAB Cc1nc(-c2cccc(NC(=O)c3c(C)noc3C(C)C)c2)cs1 14190210 LRMYAVNMOBIDOI-UHFFFAOYSA-N 341.436 4.791 0 40 EJAB Cc1nc(-c2ccccc2)ccc1C(=O)Nc1nc2ccccc2s1 18228443 KQIHLUILPAWBLN-UHFFFAOYSA-N 345.427 4.919 0 40 EJAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)N(C)Cc2ccc(Cl)cc2)c1 20462479 ISLKHFKZSMAHCR-MRXNPFEDSA-N 345.870 4.691 0 40 EJAB CC[C@H](Oc1ccccc1C)C(=O)N[C@@H](C)c1ccc(C)cc1C 20489977 FQVRGOFQPOIANL-HKUYNNGSSA-N 325.452 4.647 0 40 EJAB Cc1ccc(-c2noc3nc(C)cc(C(=O)N4CCCCCC4)c23)cc1 36618507 GKQOYKZDZLWCHW-UHFFFAOYSA-N 349.434 4.523 0 40 EJAB O=C(Nc1ccccc1)Nc1ccc(C(=O)Nc2ccccc2)cc1 36885646 ONTATVWOOVCDKE-UHFFFAOYSA-N 331.375 4.583 0 40 EJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(OC)cc1 39426330 FJPPUUIECMYJTK-MRXNPFEDSA-N 335.856 4.858 0 40 EJAB CCOc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C(C)C)cc1 40068040 LDQUYVUELBCYCH-UHFFFAOYSA-N 349.434 4.647 0 40 EJAB COc1cc(Cl)c(C)cc1NC(=S)Nc1ccc(C)c(F)c1 45499875 IDGIAQLUOZXGBZ-UHFFFAOYSA-N 338.835 4.913 0 40 EJAB C[C@@H](Nc1nccc(C(F)(F)F)n1)c1ccccc1C(F)(F)F 84660548 HUTWZAUEDLMZQZ-MRVPVSSYSA-N 335.251 4.687 0 40 EJAB Cc1ccc(CCC(=O)Nc2ccc(N3CCCCC3)cc2)cc1C 96621655 UXFYDHVSKUEWSK-UHFFFAOYSA-N 336.479 4.865 0 40 EJAB COc1ccc(-c2[nH]c(-c3ccc(SC)cc3)nc2S)cc1 101478564 RQUKAZQVQVHMRP-UHFFFAOYSA-N 328.462 4.763 0 40 EJAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CSCc1cccc(Cl)c1 105926230 DAUGJXSEMDJQKK-DVOMOZLQSA-N 325.905 4.514 0 40 EJAB CCCC(=O)Nc1cccc(NC(=O)c2nccc3ccccc23)c1C 132925958 LIWRDOVNOWDRIW-UHFFFAOYSA-N 347.418 4.534 0 40 EJAB Cc1ccc(C)c(NC(=O)c2cnc(-c3ccc(Cl)cc3)nc2)c1 222602231 ULJBUZKTJRSWDT-UHFFFAOYSA-N 337.810 4.666 0 40 EJAB S=C(NCCCc1ccc(Cl)cc1)Nc1ccc(Cl)cc1 225543113 QSLAOZHVWQNYNI-UHFFFAOYSA-N 339.291 4.913 0 40 EJAB CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OC(C)C)c(C)c1 225735806 CROCQPWKISFPEE-FQEVSTJZSA-N 335.488 4.952 0 40 EJAB Cc1ccc(-c2nnsc2C(=O)Nc2c(C)cc(C)cc2C)cc1 225776302 XTAOILHIJMOBFL-UHFFFAOYSA-N 337.448 4.691 0 40 EJAB CC[C@H](C)Oc1ccc(NC(=O)[C@](C)(OC)C2CC2)c2ccccc12 225813484 YCWYPVJDDPAVJW-LHSJRXKWSA-N 341.451 4.771 0 40 EJAB Nc1cc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)ccc1Cl 226365341 TZHSFYVQSITFCQ-UHFFFAOYSA-N 330.746 4.574 0 40 EJAB CCCC[C@H](C(=O)OC)N1c2c(OC)cccc2[C@H](C)CC1(C)C 260616178 GKBMYRAXIHBEER-GDBMZVCRSA-N 333.472 4.519 0 40 EJAB O=C(Cc1ccccc1Cl)N[C@H](c1ccsc1)c1cccs1 390827224 VCCPSYQHPPLROA-QGZVFWFLSA-N 347.892 4.911 0 40 EJAB CCc1sc(C)nc1-c1ccc(C(=O)NCc2ccccc2)cc1 408581067 UAPMPXGCGOVAIK-UHFFFAOYSA-N 336.460 4.611 0 40 EJAB C[C@@H]1CCCc2sc3ncn4nc(-c5ccc(F)cc5)nc4c3c21 2346233 MKJXTZXQXDJCEM-SNVBAGLBSA-N 338.411 4.585 0 40 EJAB O=C(Nc1ccc(Cl)cc1F)c1ccc(OC(F)(F)F)cc1 2616502 GCQHUXSIRWITLH-UHFFFAOYSA-N 333.668 4.630 0 40 EJAB CCCCOc1ccc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)cc1 3115006 QHQCGAYVFCSIQE-RGEXLXHISA-N 335.403 4.518 0 40 EJAB CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2ccccc2Cl)c1 3380455 OQWDAWUCXOQBDR-GFCCVEGCSA-N 333.840 4.662 0 40 EJAB COc1cccc2sc(Nc3nc4c(F)cc(F)cc4s3)nc12 4137653 WGRQIBCWLIQEAQ-UHFFFAOYSA-N 349.387 4.936 0 40 EJAB Cc1ccc(SCC(=O)Nc2ccc3nc(C)sc3c2)cc1 4496435 VMWOHDGKTOHHPL-UHFFFAOYSA-N 328.462 4.644 0 40 EJAB Cc1ccc(OCC(=O)NC(c2ccccc2)c2ccccc2)c(C)c1 5174087 FTUMIBUWOCMJCQ-UHFFFAOYSA-N 345.442 4.588 0 40 EJAB Cc1cc(Nc2ccc(O)cc2)c2cc(Br)ccc2n1 5583357 DBLVIJPVUKEMPV-UHFFFAOYSA-N 329.197 4.755 0 40 EJAB COc1ccccc1C(c1ccccc1OC)c1ccccc1C(=O)O 5699205 HTVUZQRVRWZZQL-UHFFFAOYSA-N 348.398 4.582 0 40 EJAB C[C@@H](Nc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(F)cc1 5934244 JMSFOSNWLGLLFU-OAHLLOKOSA-N 334.394 4.932 0 40 EJAB CC(C)OP(=O)(OC(C)C)[C@@H](N)C12CC3CC(CC(C3)C1)C2 6762705 YXAOLNQFCZWDQD-YYUOFMGYSA-N 329.421 4.531 0 40 EJAB S=C(NCCc1ccc(Cl)cc1)Nc1ccccc1Cl 6926984 HKZMSHAISDYMAN-UHFFFAOYSA-N 325.264 4.523 0 40 EJAB C[C@@H](NCc1ccc(-n2ccnc2)cc1)c1ccc2c(c1)CCCC2 7985283 MDKOONLZSMASDB-QGZVFWFLSA-N 331.463 4.602 0 40 EJAB COc1cc(C)c(NC(=O)C2CCC(C(C)(C)C)CC2)cc1OC 8852976 KGONWHKAGKKJFH-UHFFFAOYSA-N 333.472 4.803 0 40 EJAB Cc1ccc(CS[C@@H](C)C(=O)NCc2ccccc2Cl)cc1 9516620 CRYNXYCNLONROH-AWEZNQCLSA-N 333.884 4.587 0 40 EJAB O=C(Cc1cccc2ccccc12)Oc1ccccc1Br 13141623 WBPYUMJNNOLNNC-UHFFFAOYSA-N 341.204 4.750 0 40 EJAB CC(C)(C)SCCNC(=O)c1ccccc1CCc1ccccc1 13688310 UTGBMYMBBGMMJN-UHFFFAOYSA-N 341.520 4.733 0 40 EJAB Cc1cccc([C@H]2CC(=O)c3c(C)nn(-c4ccc(F)cc4)c3C2)c1 17068774 ZMRHKOMABGVSTN-MRXNPFEDSA-N 334.394 4.541 0 40 EJAB COc1ccccc1[C@H](C)NC(=O)[C@H](C)Sc1ccc(Cl)cc1 17971746 UKHFXAKWAVDTEX-STQMWFEESA-N 349.883 4.707 0 40 EJAB Cc1ccc(SCC(=O)N[C@@H](CC(C)C)c2ccccc2)cc1 22512252 AHWIUDKLOCCZLG-IBGZPJMESA-N 327.493 4.991 0 40 EJAB CC(C)c1ccc(OCc2ccc(C(=O)N3CCC[C@H](C)C3)o2)cc1 28576364 IYRLIPJJIXQWOI-INIZCTEOSA-N 341.451 4.854 0 40 EJAB Cc1nc(/C=C/C(=O)Nc2nc(C)c(-c3ccccc3)s2)cs1 31967821 QWRVTOQUIIJECK-CMDGGOBGSA-N 341.461 4.535 0 40 EJAB Cc1cc(C(=O)N[C@@H](C)c2cccc(Br)c2)sc1C 36391438 YDCCMGDPALZBHY-JTQLQIEISA-N 338.270 4.618 0 40 EJAB Cc1cc(NC(=O)Nc2cc(F)ccc2F)ccc1Br 51354443 SXNUTGLASSOJAF-UHFFFAOYSA-N 341.155 4.680 0 40 EJAB COC(=O)c1ccc(-c2ccc(Br)c(C(F)(F)F)c2)o1 57327489 DNWNQKVIMALUKR-UHFFFAOYSA-N 349.102 4.515 0 40 EJAB CC[C@@H](C)Sc1ccc(NC(=O)[C@@H]2CCOC2)c(C(F)(F)F)c1 60306415 SXCDAEOTHDUENZ-GHMZBOCLSA-N 347.402 4.571 0 40 EJAB CC(C)(C)c1cnc(CSc2nnc3sc4ccccc4n23)o1 78383605 YRBMJMPLMJMLNI-UHFFFAOYSA-N 344.465 4.522 0 40 EJAB COc1cccc(NC(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)c1 80344195 FIUJWLSCJVWIRW-CVEARBPZSA-N 336.218 4.744 0 40 EJAB Cc1nc(-c2c[nH]c(C(=O)NCC3CCCCCCC3)c2)cs1 84274929 WHWPMIDTQISKNC-UHFFFAOYSA-N 331.485 4.537 0 40 EJAB COc1cc(C=O)c(Cl)cc1OCc1c(F)cccc1Cl 95094971 IFBZXMMUYNMCHL-UHFFFAOYSA-N 329.154 4.533 0 40 EJAB Cc1ccc(OCC(=O)N[C@@H](CC(C)C)c2ccccc2)c(C)c1 222827916 NGYXOPQSOJSNFP-IBGZPJMESA-N 325.452 4.586 0 40 EJAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N[C@@H](C)CCc1ccccc1 222990521 ALOYHCHPHIOXRG-GHTZIAJQSA-N 339.479 4.598 0 40 EJAB CC1(C)C[C@H](NC(=S)Nc2c(F)cccc2F)c2ccccc2O1 225577437 KLKMBYJQIZRVQQ-AWEZNQCLSA-N 348.418 4.554 0 40 EJAB CC[C@H]1CCCCN1CCCNC(=S)Nc1ccc(C(C)C)cc1 225580401 RUWKCMRVRGNFLA-IBGZPJMESA-N 347.572 4.751 0 40 EJAB CCCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OC)cc1Cl 225609741 DQKPGXOFRMDZBJ-QGZVFWFLSA-N 327.852 4.519 0 40 EJAB COc1cccc(NC(=S)NC2(c3cccc(C)c3)CCCC2)c1 225846597 PDTYIVXQNODUBW-UHFFFAOYSA-N 340.492 4.760 0 40 EJAB CCCn1c(Cc2ccccc2)nnc1SCc1cccc(F)c1 409107043 PWMJKFDQDIGDGL-UHFFFAOYSA-N 341.455 4.710 0 40 EJAB O=C(NCc1cc(-c2ccoc2)cs1)c1nc2ccccc2s1 1775972377 YIIADFWSUJEVQH-UHFFFAOYSA-N 340.429 4.548 0 40 EJAB O=C(Nc1ccccc1)Nc1ccc(-n2cnc(Cl)c2Cl)cc1 160968 QNUVMHIJWJUVDA-UHFFFAOYSA-N 347.205 4.823 0 40 EJAB CCN(C(=O)C1c2ccccc2Oc2ccccc21)c1ccccc1 182632 IQESZSHJCJQIAP-UHFFFAOYSA-N 329.399 4.977 0 40 EJAB O=c1oc2ccccc2cc1-c1csc(Nc2cccc(F)c2)n1 191855 ICWJMJHUFSWKJE-UHFFFAOYSA-N 338.363 4.799 0 40 EJAB Oc1ccccc1-c1nc2ccc(Cl)cn2c1NC1CCCC1 904177 SZVUGCZBJZNYHC-UHFFFAOYSA-N 327.815 4.715 0 40 EJAB C/C=C/COc1cc2c(cc1[C@H](C)c1ccc(OC)cc1)OCO2 1584431 OAANJINSLHMPTL-ISZGNANSSA-N 326.392 4.531 0 40 EJAB CCOC(=O)C(C)(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 1691938 JJYXPVIOPCTYAP-UHFFFAOYSA-N 332.403 4.518 0 40 EJAB CCOC(=O)c1cc(-c2ccc(C)cc2)nn1-c1ccc(C)cc1C 3331357 CIIJURHTWJZYEC-UHFFFAOYSA-N 334.419 4.641 0 40 EJAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC1CCCCCC1 4817024 YPHZBXKNEWDKDR-NSHDSACASA-N 330.255 4.600 0 40 EJAB CN(C)c1ccc(C(=O)OC(c2ccccc2)c2ccccc2)cc1 5403749 JNDIBSJBWWJFRV-UHFFFAOYSA-N 331.415 4.699 0 40 EJAB COc1cc(C)c(NC(=O)c2cccc(Cl)c2Cl)cc1OC 5616847 USPHUEIPVVAOIN-UHFFFAOYSA-N 340.206 4.571 0 40 EJAB CC(=O)[C@@H](C)Sc1nc(C)nc2sc(-c3ccccc3)cc12 6114443 RJFJCSSGYFOCRZ-LLVKDONJSA-N 328.462 4.736 0 40 EJAB O=C(Nc1nc(-c2ccccc2Cl)cs1)c1cccc(F)c1 6507790 PRIAHBLUMLHVFI-UHFFFAOYSA-N 332.787 4.855 0 40 EJAB O=C(Nc1nc(-c2ccncc2)cs1)c1ccc2ccccc2c1 6848350 UDIMNFQORKEPFL-UHFFFAOYSA-N 331.400 4.611 0 40 EJAB Cc1ccc(C)c(OCC(=O)Nc2nc(-c3cccs3)cs2)c1 7670505 XRUVMGNPOKXBGI-UHFFFAOYSA-N 344.461 4.506 0 40 EJAB O=C1CCCN1c1cccc(-c2csc(Cc3ccccc3)n2)c1 8042437 KFJWRPAWRLFICX-UHFFFAOYSA-N 334.444 4.528 0 40 EJAB Cc1cc(C2CCCCC2)oc1C(=O)Nc1ccc(C(=O)O)cc1 8336770 JDOBIFIQJRJSNN-UHFFFAOYSA-N 327.380 4.586 0 40 EJAB O=C(Oc1ccc2ccc(=O)oc2c1)c1ccccc1-c1ccccc1 8519031 AHFRWNNKYSGLFS-UHFFFAOYSA-N 342.350 4.679 0 40 EJAB CCCCc1ccc2nc(C)c(CN3CCCCCC3)c(O)c2c1 8717218 MBLUOGFRBNNDHD-UHFFFAOYSA-N 326.484 4.967 0 40 EJAB O=C(N[C@H]1CCc2ccccc21)C(c1ccccc1)c1ccccc1 12946471 HLFJZROTZBJVDW-NRFANRHFSA-N 327.427 4.622 0 40 EJAB C[C@@H](CCc1ccccc1)NC(=O)[C@@H](C)Oc1cccc2ccccc12 13709465 BEPMIORKXPXNBJ-ZWKOTPCHSA-N 347.458 4.745 0 40 EJAB CC[C@H]1Oc2c(OC)cccc2[C@H]2CC(c3ccc(Cl)cc3)=NN12 13810878 VQRSHEPBZSIBCI-SJLPKXTDSA-N 342.826 4.628 0 40 EJAB CCOc1ccc(Nc2ncnc3sc(C)cc23)cc1OCC 19948798 XHNPVQUKBFUVDO-UHFFFAOYSA-N 329.425 4.541 0 40 EJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@@H]1CCCc2ccccc21 20105157 KISIWPGWFQZDBY-UXHICEINSA-N 337.463 4.655 0 40 EJAB Cc1ccc(-c2nonc2NC(=O)c2cccc3ccccc23)cc1C 20899428 WJVKFJXKBKOPOJ-UHFFFAOYSA-N 343.386 4.759 0 40 EJAB CC(C)C[C@@H](NC(=O)COc1ccccc1Cl)c1ccccc1 38756966 HCEXHPNJPISWOP-QGZVFWFLSA-N 331.843 4.622 0 40 EJAB Cc1ccc(CN[C@@H]2CCCc3c2cnn3Cc2ccccc2)cc1C 40086370 GKMRLKLSANBXJK-JOCHJYFZSA-N 345.490 4.715 0 40 EJAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCCCc1cccc(C)c1 44885572 RFDBYQSNDINJPI-GOSISDBHSA-N 345.870 4.555 0 40 EJAB O=C(c1ccc(-n2cc[nH]c2=S)cc1)N1CCC[C@H]1c1ccccc1 45065076 UMWIXPUEEPUMCW-SFHVURJKSA-N 349.459 4.512 0 40 EJAB CCc1ccc2c(CN3CCC[C@H]3c3cccs3)cc(=O)oc2c1 57758634 QGZJQNMNRUCDNJ-KRWDZBQOSA-N 339.460 4.754 0 40 EJAB CCC[C@@H](c1ccccn1)N(C)C(=O)Nc1cccc(OC(F)F)c1 69622887 HLLMBAGKNCZKBV-INIZCTEOSA-N 349.381 4.688 0 40 EJAB CCCCN1CCCC[C@H]1c1cccnc1N(C)C(=O)OC(C)(C)C 72214523 PHWHFBXKHRRUPD-KRWDZBQOSA-N 347.503 4.780 0 40 EJAB CN1CCC[C@@H](c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)C1 72348590 BMIVVMOFVFPHCS-OAHLLOKOSA-N 334.385 4.500 0 40 EJAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1c(Cl)cccc1Cl 216472915 IBMODFAZTVVJBT-AWEZNQCLSA-N 342.197 4.929 0 40 EJAB CCOc1ccc(C(=O)N[C@H](C)c2cc(C)ccc2C)cc1Cl 223958149 XUBDPATXEOFPJR-CQSZACIVSA-N 331.843 4.847 0 40 EJAB CCC[C@H](C)NC(=O)c1cccc(OCc2ccccc2Cl)c1 225777603 BNDYNERZMGHULF-AWEZNQCLSA-N 331.843 4.837 0 40 EJAB CCOc1ccc(NCc2cc(Cl)c(OC)c(OCC)c2)cc1 237021209 FKNMPQKUGWSSCA-UHFFFAOYSA-N 335.831 4.758 0 40 EJAB O=C(O)c1oc2ccccc2c1CN1CCC(c2ccsc2)CC1 566743320 KQHWCWRGSGVDAN-UHFFFAOYSA-N 341.432 4.572 0 40 EJAB O=C(NCc1ccc(-c2cccs2)o1)c1c(F)cccc1Cl 575609124 OUEATUVPXNSLLP-UHFFFAOYSA-N 335.787 4.731 0 40 EJAB COc1ccc(C(=O)Nc2ccccc2N2CCCCC2)cc1Cl 569673 WVCGUMVALNMEQS-UHFFFAOYSA-N 344.842 4.591 0 40 EJAB C[C@H](CN1CCCC1)[C@@](O)(c1ccc(Cl)cc1)C1CCCCC1 1698650 SYKZFXRPVKSEHD-UZLBHIALSA-N 335.919 4.840 0 40 EJAB CCCCC(=O)Nc1sc(-c2ccccc2)cc1C(=O)OCC 1768343 VQSWORGTMOFRCP-UHFFFAOYSA-N 331.437 4.721 0 40 EJAB CCN(Cc1ccncc1)Cc1cccc(OCc2ccccc2)c1 4676838 XPZQUBVSPZDZEM-UHFFFAOYSA-N 332.447 4.683 0 40 EJAB CC(C)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1 4835778 KWIXCUFRBHIVPL-UHFFFAOYSA-N 344.871 4.731 0 40 EJAB COc1cccc2c1OC1(CCCC1)N1N=C(c3ccccc3)C[C@@H]21 5235422 JMLHZBYCPQEOFH-SFHVURJKSA-N 334.419 4.509 0 40 EJAB O=C(Nc1ccc(C(F)(F)F)cn1)C1(c2ccccc2)CCCC1 6615908 NKNAIQNXBHWLGB-UHFFFAOYSA-N 334.341 4.551 0 40 EJAB Clc1ccc2[nH]c(SCc3nnc(-c4cccs4)o3)nc2c1 6650309 WUKMSNANXPJXDC-UHFFFAOYSA-N 348.840 4.620 0 40 EJAB Fc1ccccc1Nc1nnc(SCCc2ccccc2)s1 6787167 GVGAQNARUDLMNP-UHFFFAOYSA-N 331.441 4.756 0 40 EJAB CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)N(C)Cc1cccc(F)c1 6861431 OHCCMVJVEZHNJA-JKSUJKDBSA-N 342.458 4.798 0 40 EJAB CSc1ccc(-c2nc3ncccn3c2Nc2ccccc2)cc1 7499034 AZUVATGEJOTMFT-UHFFFAOYSA-N 332.432 4.862 0 40 EJAB Cc1nc2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2nc1C 8060816 HUGCSLMSWWARDF-UHFFFAOYSA-N 345.324 4.518 0 40 EJAB Cc1ccc(C(=O)N2CCc3sccc3[C@H]2c2ccccc2)cc1 8115138 RRSYOAHBCNESJU-HXUWFJFHSA-N 333.456 4.844 0 40 EJAB C[C@H](NC(=O)NCc1cccc(Cl)c1)c1cc2ccccc2o1 9710563 DOSHTXDBYCHISZ-LBPRGKRZSA-N 328.799 4.647 0 40 EJAB O=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)c1ccno1 10253848 AGLVJGQUPBEWLN-UHFFFAOYSA-N 347.399 4.717 0 40 EJAB Cc1cc(C)cc(-n2ccnc2SCc2nc3ccccc3o2)c1 10271298 RTBPARKILSTSKL-UHFFFAOYSA-N 335.432 4.923 0 40 EJAB CCOc1ccccc1CCCNC(=O)c1ccc(C(C)(C)C)cc1 13670662 FRPDKCIYFBULRY-UHFFFAOYSA-N 339.479 4.745 0 40 EJAB O=C(NCCSc1ccc(Cl)cc1)c1ccc(Cl)cc1F 16495740 FEYDKLFQXIITKG-UHFFFAOYSA-N 344.238 4.655 0 40 EJAB CC[C@H](Oc1ccc(F)cc1)C(=O)N[C@@H](CC(C)C)c1ccccc1 20050634 GBKAYYSCJSQSGO-PMACEKPBSA-N 343.442 4.887 0 40 EJAB C[C@H](NCc1ccc(-c2ccc(Cl)cc2)o1)[C@H](O)c1ccccc1 22076544 OGFNMONHJWTTDB-XOBRGWDASA-N 341.838 4.812 0 40 EJAB Cc1ccc(CCCNC(=O)c2ccccc2SC(F)F)c(C)c1 22459698 TVFQGHMVBQGBDE-UHFFFAOYSA-N 349.446 4.981 0 40 EJAB O=C(Nc1cccc(C(F)(F)F)c1)N1CC[C@H](c2ccccc2)C1 38567376 QFOAAMPVIXDSFY-AWEZNQCLSA-N 334.341 4.727 0 40 EJAB O=C(Nc1c(F)cccc1F)N(Cc1ccsc1)Cc1ccco1 42382105 DMTQMNPKZZVNRP-UHFFFAOYSA-N 348.374 4.854 0 40 EJAB Cc1oc2c3c(ccc2c(=O)c1-c1ccccc1)OCN(CC(C)C)C3 57165192 CCSYFKBSABTUNK-UHFFFAOYSA-N 349.430 4.576 0 40 EJAB biogenic Cc1nc2ccccc2nc1CN(C)Cc1cccc(C(F)(F)F)c1 58377882 XOHKRKZPHITJHX-UHFFFAOYSA-N 345.368 4.589 0 40 EJAB C[C@H](NCc1cccc(-c2cnn(C)c2)c1)c1cnc2ccsc2c1 90920209 UHLZSDFDDPSLBX-AWEZNQCLSA-N 348.475 4.548 0 40 EJAB O=C(C[C@@H]1C[C@@H]2CC[C@@H]1C2)Nc1ccc2c(c1)C(=O)c1ccccc1-2 100226320 KNWKNLLHCPJJQD-KFWWJZLASA-N 331.415 4.663 0 40 EJAB C/C=C/[C@H]1OC[C@]2(COC(=O)NCCCCC)[C@@H](C)C=C(C)[C@@H]1[C@H]2C 100741753 CSSJDGXKUUQMTC-ILIVQNJESA-N 349.515 4.712 0 40 EJAB CCOC(=O)CCCCCCCCCP(=O)(OCC)OCC 214465037 HZENPPLSBHPUFY-UHFFFAOYSA-N 336.409 4.936 0 40 EJAB CCc1ccc(CC)c(CNC(=O)[C@H](C)Oc2cccc(Cl)c2)c1 223345825 QHLQZZDZKKOZJS-AWEZNQCLSA-N 345.870 4.549 0 40 EJAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccc3c4c(cccc24)CC3)c1 224134445 PFDKIHKRMVAKPF-HNNXBMFYSA-N 331.415 4.653 0 40 EJAB C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(-c2ccc(Cl)c(N)c2)o1 226305134 XIDMJYGNDQTQBW-VXGBXAGGSA-N 332.831 4.585 0 40 EJAB Cc1ccc2nc3sc(C(=O)c4ccc(F)cc4)c(N)c3cc2c1 422161 KOOKZCIXPKJWQE-UHFFFAOYSA-N 336.391 4.710 0 40 EJAB COc1cccc([C@@H]2Nc3ccccc3-c3nc4ccccc4n32)c1 536748 VWIMMIZDAJIOIF-HXUWFJFHSA-N 327.387 4.684 0 40 EJAB CCN(C(=O)COc1ccc(Cl)cc1Cl)c1ccccc1C 1640210 UCOAJPQMQNVWEB-UHFFFAOYSA-N 338.234 4.734 0 40 EJAB CCCCOc1ccc(/C=C2\N=C(c3cccc(C)c3)OC2=O)cc1 2024765 JGEBZGWGATXPCZ-RGEXLXHISA-N 335.403 4.518 0 40 EJAB Fc1cccc(-n2c(-c3ccccc3)nc3nc4ccccc4nc32)c1 2251626 SMFSEZWVBHZJHA-UHFFFAOYSA-N 340.361 4.775 0 40 EJAB CSc1ccccc1C(=O)c1cccc(CN2CCCCC2)c1 2515003 ORCIEPKAXJAJCO-UHFFFAOYSA-N 325.477 4.625 0 40 EJAB CC1(C)CN=C(N(C(=O)Nc2ccc(F)cc2)c2ccccc2)S1 3103247 KIDVJGNALZOTNL-UHFFFAOYSA-N 343.427 4.746 0 40 EJAB CCOc1cc(C(=O)Nc2ccc(F)cc2)ccc1OCC(C)C 3429507 VSVGZXNMQCDMAN-UHFFFAOYSA-N 331.387 4.512 0 40 EJAB O=C(Nc1nc2c(s1)CCCC2)c1cc(Cl)sc1Cl 4173441 BLKGREJHNAQIED-UHFFFAOYSA-N 333.265 4.643 0 40 EJAB CC[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccccc2OC)N3)C1 6358117 BKKJRRONZHPQLX-DIFFPNOSSA-N 342.464 4.701 0 40 EJAB O=[P@]1(Oc2ccccc2)OC[C@@H]2S[C@@H](c3ccccc3)C[C@@H]2O1 8665645 RTCKBOBBKWDKGC-DVSDUFGPSA-N 348.360 4.836 0 40 EJAB O=C(O[C@H](c1ccccc1)c1ccccn1)c1cc2ccccc2o1 12522415 MQOFWYBHCKSDFK-HXUWFJFHSA-N 329.355 4.774 0 40 EJAB C[C@H]1CC[C@](C)(C(=O)N(C)C(=O)[C@@]2(C)CC[C@@H](C)C2(C)C)C1(C)C 13405281 BHUKNCSDHSSDAL-IALDWUNLSA-N 335.532 4.896 0 40 EJAB biogenic CCOc1ccc(NC(=O)[C@H](C)Oc2cccc3ccccc23)cc1 13708913 JAVGDMOEOQBDLC-HNNXBMFYSA-N 335.403 4.645 0 40 EJAB CC(C)C[C@H](NC(=O)c1ccc(OC(C)C)cc1)c1ccccc1 20045022 ZSWQMVLENQWDDN-FQEVSTJZSA-N 325.452 4.991 0 40 EJAB Cc1cccc(Nc2nn(-c3ccccc3)c3c2C(=O)C[C@H](C)C3)c1 20671964 PICWNPKPNCLNSZ-OAHLLOKOSA-N 331.419 4.689 0 40 EJAB O=C(CCC(=O)c1ccc(Cl)s1)Nc1cnc2ccccc2c1 21136303 YYUVCZIDEHLRIV-UHFFFAOYSA-N 344.823 4.551 0 40 EJAB COC(=O)c1ccoc1CSc1nc(C)c(C)n1C1CCCCC1 23355309 LYSDCCTZNYPRCU-UHFFFAOYSA-N 348.468 4.677 0 40 EJAB Cc1ccc(NC(=O)c2cc(-c3cccs3)nc3ccccc23)nc1 37868969 ZWGJBYAPMBDVPV-UHFFFAOYSA-N 345.427 4.919 0 40 EJAB COCc1ccccc1NC(=O)N1CCC[C@H]1c1ccccc1Cl 48078662 ULGPTOZHSHBTNA-SFHVURJKSA-N 344.842 4.855 0 40 EJAB CCOC(=O)c1c(C)[nH]c(-c2ccccc2)c1CC(=O)c1ccccc1 67340082 SZEISBBNJDUTMR-UHFFFAOYSA-N 347.414 4.592 0 40 EJAB C[C@@H](c1ccccc1)N1CCO[C@H](c2ccc(Br)cc2)C1 90549226 YWMUEQLXCPKKRF-KSSFIOAISA-N 346.268 4.584 0 40 EJAB OC1CCC(NCc2c(Cl)cccc2Oc2ccccc2)CC1 95455754 VLNXONXJEWKUCT-UHFFFAOYSA-N 331.843 4.525 0 40 EJAB c1ccc(C2CCC(N3CCN([C@H]4C[C@@H]5CC[C@@H]4C5)CC3)CC2)cc1 101584081 LRFGDHOYBPTOBR-ZIVFXXKWSA-N 338.539 4.519 0 40 EJAB C[C@@H](NC(=O)Cc1cccc(Cl)c1)c1ccc2c(c1)CCCC2 222999540 HSZKOZCJNLYPLU-CQSZACIVSA-N 327.855 4.639 0 40 EJAB CCc1ccccc1O[C@H](C)C(=O)N[C@H](C)c1cc(C)c(C)cc1C 223463966 OYMSJLJCUIRBHF-QZTJIDSGSA-N 339.479 4.819 0 40 EJAB CCOc1ccc(C(=O)N[C@H](C)CC(C)(C)c2ccccc2)cc1C 225728900 HPTHOSRJMGWSSL-QGZVFWFLSA-N 339.479 4.880 0 40 EJAB Cc1ccc(NC(=O)c2cc3cc(Cl)ccc3oc2=O)cc1Cl 226041389 WGHOQDVXVIDLSQ-UHFFFAOYSA-N 348.185 4.661 0 40 EJAB CN1[C@H]2CC[C@@H]1C[C@H](O[C@H]1C=C3C=CCC[C@@H]3Cc3ccccc31)C2 1569996982 PDYXHBQNNRAJDS-GGKYTPRKSA-N 335.491 4.818 0 40 EJAB O=c1c2c3c(sc2[nH]c(=S)n1CC1CCCCC1)CCCC3 246460 RPSQPECKICFOHJ-UHFFFAOYSA-N 334.510 4.580 0 40 EJAB CCOC(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1 362832 MXGXGPMVXXKJDB-UHFFFAOYSA-N 345.398 4.783 0 40 EJAB O=C(c1ccco1)c1cn(CCOc2ccccc2)c2ccccc12 560607 XIQFYBNBMOMENH-UHFFFAOYSA-N 331.371 4.544 0 40 EJAB Cc1ccc(C(=O)N2c3ccccc3OC[C@H]2c2ccccc2)cc1 1389079 ZUMAPKYTNXWZHB-FQEVSTJZSA-N 329.399 4.776 0 40 EJAB COc1cnc(-c2ccccc2)nc1Sc1cccc(Cl)c1 1406862 QYNUXCAVZWVSSM-UHFFFAOYSA-N 328.824 4.957 0 40 EJAB c1ccc(CSc2nnc(-c3ccccc3)n2Cc2ccco2)cc1 3318203 LKRDXQISPHZVOX-UHFFFAOYSA-N 347.443 4.879 0 40 EJAB O=C(Nc1nc2ccccc2s1)c1cc(Cl)sc1Cl 4173439 WCEMJZOJKAFWHQ-UHFFFAOYSA-N 329.233 4.917 0 40 EJAB CC1(C)[C@]2(C(=O)Oc3ccc(Cl)cc3Cl)CC[C@@]1(C)C(=O)C2 4811019 NKXQNZLZVJYFOR-DLBZAZTESA-N 341.234 4.684 0 40 EJAB Cc1nn2c(S)cc(C(C)(C)C)nc2c1-c1ccc(Cl)cc1 5205411 GHGFSFIVIJGAKJ-UHFFFAOYSA-N 331.872 4.944 0 40 EJAB CN(C)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 5700720 BYFBJQQTWNQUNL-UHFFFAOYSA-N 342.748 4.677 0 40 EJAB O=C(NC1CCCCC1)N(CCc1ccccc1)Cc1ccccc1 6885119 NYLDIQADQLUGGQ-UHFFFAOYSA-N 336.479 4.774 0 40 EJAB Cn1c(SCc2ccccc2Cl)nnc1-c1ccc(F)cc1 6913832 VTIJTHHMKNSKQY-UHFFFAOYSA-N 333.819 4.567 0 40 EJAB C[C@H](NC(=O)CSC/C=C/c1ccccc1)c1ccccc1Cl 7150371 HEJFEDCCZAKDGS-VSGCLNPGSA-N 345.895 4.964 0 40 EJAB Cc1ccccc1OCCCn1c([C@@H]2CCCO2)nc2ccccc21 7343598 WUNULBXOCFNKKH-FQEVSTJZSA-N 336.435 4.665 0 40 EJAB CC(=O)Nc1ccc(S[C@@H](C)C(=O)c2ccc(Cl)cc2)cc1 7466864 UBHGUEUDDUWLAV-NSHDSACASA-N 333.840 4.662 0 40 EJAB CCOc1ccccc1NC(=O)c1sc(-c2ccccc2)nc1C 7995934 YDFNORRCLPPWOP-UHFFFAOYSA-N 338.432 4.770 0 40 EJAB Cc1cc(Cl)ccc1OCC(=O)N[C@@H](C)c1cc2ccccc2o1 8237859 YPYDGZKLZDQFCM-ZDUSSCGKSA-N 343.810 4.651 0 40 EJAB Clc1cc(CSc2nc3ccccc3o2)cc2c1OCCO2 8428892 UBKDLORFTXGZGN-UHFFFAOYSA-N 333.796 4.545 0 40 EJAB Cc1cccc(CCCNC(=O)CCc2ccc(C(C)(C)C)cc2)c1 10110792 HIDDVAFHXHZSDA-UHFFFAOYSA-N 337.507 4.974 0 40 EJAB O=C1c2ccccc2N[C@@H](c2ccc(Cl)s2)N1CC(F)(F)F 11036290 WBWZZMJRWXATDI-GFCCVEGCSA-N 346.761 4.530 0 40 EJAB Cc1ccc2c(CC(=O)N3CCC[C@@H]3c3cccs3)coc2c1 12568093 YSQLULFJIYZOJC-MRXNPFEDSA-N 325.433 4.709 0 40 EJAB O=C(O)CCSc1nc(-c2ccccc2)nc2ccc(Cl)cc12 13633752 LGSAQWLOVYLODO-UHFFFAOYSA-N 344.823 4.517 0 40 EJAB CC[C@@H]1c2ccsc2CCN1C(=O)CCc1c[nH]c2ccccc12 14142271 OSIGUGGBTUHKOD-GOSISDBHSA-N 338.476 4.698 0 40 EJAB Cc1nc(NC(=O)CSCc2ccccc2)c(Cl)cc1Cl 14166994 AGDWVDFYTWBHPO-UHFFFAOYSA-N 341.263 4.569 0 40 EJAB Fc1ccc(CNCc2cccc(OCc3ccccc3F)c2)cc1 16450076 FBVZQXIOZHEQJV-UHFFFAOYSA-N 339.385 4.834 0 40 EJAB O=C(NCC1(c2cccs2)CC1)c1ccc(Cl)c(Cl)c1 22680121 JVZYKKRUTKKANI-UHFFFAOYSA-N 326.248 4.517 0 40 EJAB CCCC(=O)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12 25180169 JBIAXUKJWNFQHL-MRXNPFEDSA-N 340.854 4.870 0 40 EJAB CN(Cc1ccccc1NC(=O)c1ccc(Cl)o1)C1CCCCC1 32900668 QHPIWVRWOKVHEU-UHFFFAOYSA-N 346.858 4.950 0 40 EJAB Cc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1C 40913174 RXTZCWPVXWAJCZ-OAHLLOKOSA-N 331.843 4.980 0 40 EJAB Cc1cccc(C)c1NC(=S)NCCc1cccc2ccccc12 41746225 NRICIFOJYIDVJI-UHFFFAOYSA-N 334.488 4.986 0 40 EJAB CCCCCOc1ccc(C(=O)CCCCCC(=O)OCC)cc1 43214342 WOSGYJLMTSTRRP-UHFFFAOYSA-N 334.456 4.952 0 40 EJAB Cc1cc(C(=O)Nc2ccnn2C(C)C)sc1-c1ccc(F)cc1 72083455 UNDNMGYKCWAEDP-UHFFFAOYSA-N 343.427 4.892 0 40 EJAB CCCN1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 72215324 PSIJHKTZHVLPQS-KRWDZBQOSA-N 345.487 4.532 0 40 EJAB COc1ccc(NC(=O)c2ccc(Oc3ccc(C)cc3)o2)c(C)c1 72260099 GZYLPHUTPSXURW-UHFFFAOYSA-N 337.375 4.950 0 40 EJAB Cc1cc(C)c2c(N)c(-c3nc4ccc(F)c(F)c4o3)sc2n1 78546860 OUZBBKZSLAYOGV-UHFFFAOYSA-N 331.347 4.582 0 40 EJAB CO[C@@]12C=C[C@H](CC1=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c12 103117091 JMMYCLRFBMAFBN-GMAUIZIOSA-N 338.017 4.768 0 40 EJAB COc1ccccc1[C@H](C)NC(=O)CCc1ccc(C(C)(C)C)cc1 223081779 CZCRABVMFVEQAY-INIZCTEOSA-N 339.479 4.803 0 40 EJAB CCCC[C@H](CC)CNC(=O)CCc1ccc(OCC)c(OCC)c1 224394005 LKGIVBIKLYEQED-KRWDZBQOSA-N 349.515 4.749 0 40 EJAB Cc1cccc(O[C@H](C)C(=O)Nc2ccc3c4c(cccc24)CC3)c1C 224432368 XGNMJTUXZJTZRI-MRXNPFEDSA-N 345.442 4.961 0 40 EJAB S=C(Nc1ccc(Cl)cc1)Nc1ccc(N2CCCC2)cc1 224938870 KQVKUIGCCPEWCH-UHFFFAOYSA-N 331.872 4.749 0 40 EJAB O=C(Nc1ccc(F)c(Cl)c1)c1ccc(Oc2nccs2)cc1 225636388 FEKBCSYVUIVQRW-UHFFFAOYSA-N 348.786 4.980 0 40 EJAB CCCO[C@]1(C(=O)Nc2ccc(OC(C)C)cc2)CCC[C@@H](C)C1 225661034 KFTDNXSTNGDWDN-OXQOHEQNSA-N 333.472 4.788 0 40 EJAB O=C(COCc1ccccc1)c1ccc(SC(F)(F)F)cc1 382698996 BULBSVNJTXSZJP-UHFFFAOYSA-N 326.339 4.698 0 40 EJAB O=C(NCc1nc(C2CCCCC2)cs1)OCc1ccccc1 390828253 APCOFVCLNVLWRE-UHFFFAOYSA-N 330.453 4.617 0 40 EJAB Cc1ccc(/C=C/C(=O)NCCSCc2cccc(Cl)c2)cc1 409408877 DUKDBYZSFBIZMB-MDZDMXLPSA-N 345.895 4.711 0 40 EJAB COC1(CNc2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1 571844692 GNWGHPLDAIGWMQ-UHFFFAOYSA-N 347.842 4.740 0 40 EJAB COc1ccccc1Cc1nnc(S[C@H](C)c2ccccc2)o1 589276182 IATXVFNUYORNFH-CYBMUJFWSA-N 326.421 4.522 0 40 EJAB CCOc1cccc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)c1 559732 FNKYNZJEQIZWLN-UHFFFAOYSA-N 338.451 4.574 0 40 EJAB Fc1ccc(NC(=S)N[C@H]2CCCc3ccccc32)cc1Cl 968793 HUOFGHOYHVIJEU-INIZCTEOSA-N 334.847 4.843 0 40 EJAB COc1ccc(Cl)cc1-c1nnc(Nc2ccc(C)cc2)s1 1439836 AHTGTLSBIXKZDL-UHFFFAOYSA-N 331.828 4.919 0 40 EJAB CCC[C@H](CC)[C@@](O)(c1ccccc1)c1ccc(OCOC)cc1 1719864 CLYCETMYZQSFRN-LAUBAEHRSA-N 328.452 4.732 0 40 EJAB c1ccc(-c2nnc(CSc3nc4ccccc4s3)o2)cc1 3532083 XNTTZQAMWLLAPZ-UHFFFAOYSA-N 325.418 4.639 0 40 EJAB O=c1cccc(-c2ccccc2)n1Cc1ccc(Cl)c(Cl)c1 4041247 BGZLTBZEHZHTRS-UHFFFAOYSA-N 330.214 4.870 0 40 EJAB CCN(C(=O)c1ccc(F)cc1F)c1nc2c(C)cccc2s1 6084340 USKIZXCCRKMIFK-UHFFFAOYSA-N 332.375 4.550 0 40 EJAB CCCCOc1ccc(C(=O)Nc2ccccc2C)cc1OCC 6656698 VTBOQDJMOXYUTO-UHFFFAOYSA-N 327.424 4.825 0 40 EJAB Cc1cc(C(=O)Nc2ccc(Br)cc2F)c(C)s1 7988778 XCWFERNETWGHRO-UHFFFAOYSA-N 328.206 4.519 0 40 EJAB ClC1(Cl)[C@H]2C[C@@H]3[C@@H]([C@H]4[C@@H]([C@H]21)C4(Cl)Cl)C3(Cl)Cl 8386353 LXFGXVWBHKKGFX-IFGBLCKLSA-N 340.892 4.650 0 40 EJAB O=C(Nc1cccc(Cl)c1)Nc1nnc(-c2cccc(F)c2)s1 8739237 BQLAIQWMELTLBQ-UHFFFAOYSA-N 348.790 4.642 0 40 EJAB O=C(c1cccc(Cl)c1)N1CCC[C@@H]1c1nc2ccccc2s1 9996090 YFTAXOIGFGLJCW-OAHLLOKOSA-N 342.851 4.927 0 40 EJAB CCCN(C(=O)c1ccco1)c1nc(-c2ccc(C)cc2)cs1 17086989 VJXGEDSXEPHWJT-UHFFFAOYSA-N 326.421 4.768 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 20459212 PHTFEHHMXRGZDY-HZPDHXFCSA-N 345.870 4.910 0 40 EJAB Cc1ccc(-c2c(CN3CCCCC3)c(N)nc3ccccc23)cc1 20506701 SJEAILFZJCTPMR-UHFFFAOYSA-N 331.463 4.778 0 40 EJAB O=C(Nc1ccccc1Cl)c1cccnc1NC1CCCCC1 22072414 ZDIYKIIGSRYVKR-UHFFFAOYSA-N 329.831 4.732 0 40 EJAB Cc1nc2cc(F)ccc2cc1C(=O)N1CC[C@H](C)c2ccccc21 31781629 AJZOCKJFRKOMEO-ZDUSSCGKSA-N 334.394 4.836 0 40 EJAB COc1ccccc1-c1ccc2c(N)c(-c3ccncc3)sc2n1 35327033 HSMUPKCBLPFCEB-UHFFFAOYSA-N 333.416 4.616 0 40 EJAB COc1ccc(C)cc1N[C@H](C)c1nc2ccccc2n1C(F)F 40086331 BSCWANGYOPKFCW-GFCCVEGCSA-N 331.366 4.922 0 40 EJAB CC[C@@H](Oc1ccccc1C)C(=O)N[C@H](C)c1cc(C)ccc1C 44903813 MCSZWOIZJVZYGN-IEBWSBKVSA-N 325.452 4.647 0 40 EJAB Cc1cccc(OCc2nnc(S[C@@H](C)c3ccc(F)cc3)o2)c1 48331589 YQGPAFPOXILMQM-ZDUSSCGKSA-N 344.411 4.949 0 40 EJAB CCSc1ccc(NC(=O)c2cc(Cl)sc2Cl)cn1 49479694 FNNUJOQFAFRFEU-UHFFFAOYSA-N 333.265 4.814 0 40 EJAB NC1=Nc2nc3ccccc3n2[C@H](C2CCCCCCCCCC2)N1 54363785 NNXUGAQFGWAHOL-GOSISDBHSA-N 339.487 4.615 0 40 EJAB CCOc1cc(-c2ccccc2)sc1C(=O)Nc1nc(C)cs1 59298318 KAUGIDWDWXUBMY-UHFFFAOYSA-N 344.461 4.831 0 40 EJAB CC(C)(C)OC(=O)N1CCC[C@H]1c1cccnc1Oc1ccccc1 72212197 IOFJOXLEFVAZRZ-KRWDZBQOSA-N 340.423 4.946 0 40 EJAB Cc1cc(=S)[nH]cc1[C@H]1CCCN1C(=O)OCc1ccccc1 72218316 HEKMTBNBRXLRNQ-MRXNPFEDSA-N 328.437 4.526 0 40 EJAB CCO[C@@H](C)c1nc(CNc2cccc(Cl)c2OC)cs1 86203274 ZEKZZAQIYPMLBB-JTQLQIEISA-N 326.849 4.515 0 40 EJAB Cc1csc([C@@H]2CCCCN2c2ncnc3sc(C)c(C)c23)n1 95393669 GJROWPDRMAVXJZ-ZDUSSCGKSA-N 344.509 4.805 0 40 EJAB Cc1c(C(=O)O)c2ccccc2n1C(=O)c1ccc(C(C)(C)C)cc1 216950276 MMQBCMXKCXQQAP-UHFFFAOYSA-N 335.403 4.634 0 40 EJAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCCCc1ccc(C)cc1 222965582 DKMXGJBTBZMGFP-HXUWFJFHSA-N 339.479 4.518 0 40 EJAB Cc1ccc(CC(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)c(C)c1 223857279 BKSCMVLAMPHWLW-IBGZPJMESA-N 337.463 4.573 0 40 EJAB Cc1ccc(OCCNC(=O)c2ccc(C(C)(C)C)cc2)cc1Cl 224115944 VECAAMARUTUTDC-UHFFFAOYSA-N 345.870 4.755 0 40 EJAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCc2ccc(Cl)cc2)c1 224698834 WRBVSFSARCFADS-OAHLLOKOSA-N 345.870 4.856 0 40 EJAB O[C@H](CNc1nc2cccc(F)c2s1)c1cccc2ccccc12 1652029083 BJDBUQTYCWSGEE-QGZVFWFLSA-N 338.407 4.734 0 40 EJAB Clc1cccc(-n2ccc(-c3cnc(-c4ccccc4)s3)n2)n1 1389015 NLJSXYZACNWLLP-UHFFFAOYSA-N 338.823 4.711 0 40 EJAB CC(C)(C)C(=O)N[C@H](Sc1ccccc1)C(Cl)(Cl)Cl 3157811 XWCXOUXWTBTXFG-LLVKDONJSA-N 340.703 4.637 0 40 EJAB CCOc1ccc2nc(NC(=O)c3ccccc3Cl)sc2c1 3196660 NEBFFAZBPYPVJZ-UHFFFAOYSA-N 332.812 4.601 0 40 EJAB O=C(NCc1ccco1)c1ccc(-c2nc3ccccc3s2)s1 3348336 XNBUYFMWYQCORL-UHFFFAOYSA-N 340.429 4.548 0 40 EJAB O=C(c1cccc(Cl)c1)N1N=C(c2ccco2)C[C@H]1c1ccco1 4306613 JZCSLLGLDZHABT-HNNXBMFYSA-N 340.766 4.518 0 40 EJAB Clc1cccc2nnc(-c3cccc(OCc4ccccc4)c3)n12 4573186 HSIQQUYZEHTHCT-UHFFFAOYSA-N 335.794 4.629 0 40 EJAB CC(=O)Nc1cccc(C(=O)OC(c2ccccc2)c2ccccc2)c1 5989789 HIILOUKDLNBXKW-UHFFFAOYSA-N 345.398 4.591 0 40 EJAB COc1ccc(Nc2nnc(SCc3ccccc3C)s2)cc1 6058398 ADGIJXZIGHKFMM-UHFFFAOYSA-N 343.477 4.891 0 40 EJAB C[C@@H](Sc1ncnc2sccc12)C(=O)c1ccc2c(c1)CCC2 6115343 LWGYAVYTSAZNIU-LLVKDONJSA-N 340.473 4.544 0 40 EJAB CCCCCNCc1cccc(OC)c1OCc1ccc(F)cc1 7261344 VNRKGDGWQLAIKF-UHFFFAOYSA-N 331.431 4.693 0 40 EJAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Nc2ccccc2C(C)C)c1C 7370216 NDXSJYWYJMYOSF-CQSZACIVSA-N 326.440 4.641 0 40 EJAB Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C\c2cccc(F)c2)S1 8277639 JAZHFWRQIADRRY-OQLLNIDSSA-N 346.814 4.679 0 40 EJAB CC[C@H](C)NCc1ccc(OCc2cccc(Cl)c2)c(OC)c1 8326719 YVRYZJYTJNWDKD-AWEZNQCLSA-N 333.859 4.816 0 40 EJAB CCCN(CCC)Cc1c(C)nc2c(OC)ccc(Cl)c2c1O 8717389 JYYAYIQSFPOYJM-UHFFFAOYSA-N 336.863 4.533 0 40 EJAB Cc1ccc(Cc2nnc(SCc3cccc(Cl)c3)o2)cc1 9199187 NTRNNMMDVZEERC-UHFFFAOYSA-N 330.840 4.915 0 40 EJAB Clc1ccc2nc(SCc3nc(-c4cccs4)no3)[nH]c2c1 9262673 IXYVDFXKGPCGSM-UHFFFAOYSA-N 348.840 4.620 0 40 EJAB O=C(CC(c1ccccc1)c1ccccc1)N1CCc2sccc2C1 12215912 MMAMBAIIQKIMED-UHFFFAOYSA-N 347.483 4.855 0 40 EJAB C[C@H](NC(=O)CCCc1nc2ccccc2s1)c1ccccc1F 12797396 KCUXCFJEZCJXAL-ZDUSSCGKSA-N 342.439 4.636 0 40 EJAB C[C@H](NC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1)c1cccc(F)c1 12973208 DVHNTYIJZIKEOK-STQMWFEESA-N 334.822 4.943 0 40 EJAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccc(OC)c1 20104592 IMFLJSCYRXGXHO-INIZCTEOSA-N 335.856 4.858 0 40 EJAB O=C(CSCc1cccc(Cl)c1)NC12CC3CC(CC(C3)C1)C2 21897285 OPUUCXYNDIQJJQ-UHFFFAOYSA-N 349.927 4.658 0 40 EJAB C[C@H](NC(=O)c1c(F)cccc1Cl)c1ccc2c(c1)CCCC2 32739383 BTVNQHOEPCZYHO-LBPRGKRZSA-N 331.818 4.849 0 40 EJAB COc1ccc(Cl)cc1C(=O)N(C)[C@H](C)c1cc2ccccc2o1 32754294 PBRASEUULXDKLD-GFCCVEGCSA-N 343.810 4.928 0 40 EJAB Cc1nnc([C@H](C)Sc2nnc(-c3ccc(C(C)(C)C)cc3)o2)o1 48188070 BBLNPHAAMYFYRY-JTQLQIEISA-N 344.440 4.579 0 40 EJAB Cc1cc(C(=O)NC2(c3ccccc3)CCC2)c(C)n1Cc1ccco1 58377738 NFQWQPSPZCGRFW-UHFFFAOYSA-N 348.446 4.555 0 40 EJAB C[C@H](OC(=O)Cc1noc2ccccc12)c1ccc2ccccc2c1 71818663 OBMRFPNXTKRASV-AWEZNQCLSA-N 331.371 4.828 0 40 EJAB CCc1ccc(C(=O)Nc2cc(N(CC)CC)c(N)cc2Cl)cc1 72229180 DRHPSWFLDZEMBH-UHFFFAOYSA-N 345.874 4.583 0 40 EJAB Cc1cc2[nH]c(-c3cc(Br)ccc3N)nc2cc1Cl 73634816 AMSGQBPWOLRFPX-UHFFFAOYSA-N 336.620 4.536 0 40 EJAB Cc1onc(-c2ccc(Cl)cc2)c1C(=O)N[C@H](C)c1ccccc1 80343675 HLKVOHXUTDMRBJ-GFCCVEGCSA-N 340.810 4.794 0 40 EJAB C[C@@H](c1cccnc1)N(C(=O)c1ccc(-c2cscn2)cc1)C1CC1 87238562 QSDWEJYXORNGOP-AWEZNQCLSA-N 349.459 4.571 0 40 EJAB O=C(CN1CCCCC1)C12C[C@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 100987026 OKUDWNOUPOGCKG-NAMINWQUSA-N 337.507 4.580 0 40 EJAB CC(C)(C)c1ccccc1OCC(=O)N[C@@H]1CCCc2ccccc21 222798864 RDZJYZNIAMVPJH-LJQANCHMSA-N 337.463 4.557 0 40 EJAB CSc1ccccc1NC(=O)[C@@H](C)Oc1cccc2c1CCCC2 223783834 CKJHLHYWCDINFO-CQSZACIVSA-N 341.476 4.693 0 40 EJAB CC(C)NC(=S)Nc1ccc(Sc2ccc(Cl)cc2)nc1 223875710 QDNNYXSLVVDULW-UHFFFAOYSA-N 337.901 4.581 0 40 EJAB COc1ccc(C)cc1NC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C 224817505 OXWLCZJHBWVEOS-INIZCTEOSA-N 341.451 4.841 0 40 EJAB Cc1ccc(NC(=S)NCCCSCc2ccc(F)cc2)cc1 225614080 WKHBEQJELZBQPZ-UHFFFAOYSA-N 348.512 4.744 0 40 EJAB COC1(C(=O)Nc2cc(C)c(OC(C)C)c(C)c2)CCC(C)CC1 225641685 JQBBPEPYLCIZNA-UHFFFAOYSA-N 333.472 4.624 0 40 EJAB CCC[n+]1cc(Br)cc(-c2nc3cc(CC)ccc3o2)c1 226774811 OCCHKULYMANHLU-UHFFFAOYSA-N 346.248 4.517 0 40 EJAB CN1CCC[C@H]1CCOc1ccccc1Oc1ccc(Cl)cc1 257204967 AXBOCMUOFVYRHJ-INIZCTEOSA-N 331.843 4.995 0 40 EJAB Cc1ccc2sc(C(=O)N3CCC4(CCOCC4)CC3)c(C)c2c1 585081154 DLLGFIXHPMOGHF-UHFFFAOYSA-N 343.492 4.551 0 40 EJAB COc1ccc2c(C)c(-c3cccc(Br)c3)c(=O)oc2c1 57779 IAQVHSXYYKMSOV-UHFFFAOYSA-N 345.192 4.540 0 40 EJAB biogenic COc1ccc(-c2nc3cccc(C)n3c2NC(C)(C)C)cc1OC 320152 KNGIDJLGKVEYQK-UHFFFAOYSA-N 339.439 4.537 0 40 EJAB Cc1ccc(-n2c(CCC(=O)O)ccc2-c2cccs2)c(C)c1 576537 XSZMXFHPCWSEKI-UHFFFAOYSA-N 325.433 4.840 0 40 EJAB O=C(CSc1ccc2ccccc2c1)Nc1c(F)cccc1F 3382564 GHDKUGWVDJBUKD-UHFFFAOYSA-N 329.371 4.849 0 40 EJAB O=C1Nc2ccc(Cl)cc2/C1=C/c1ccc(Br)s1 3388957 JDOJQSKKMUIPGT-POHAHGRESA-N 340.629 4.657 0 40 EJAB CC[C@H](C(=O)Nc1c2c(nn1C(C)(C)C)CSC2)c1ccccc1 4088671 VMKUFZNIUXKXIC-AWEZNQCLSA-N 343.496 4.517 0 40 EJAB COc1ccc2c3c(cc(OC)c2c1)[C@@H]1CC[C@H](C(C)=O)[C@@]1(C)CC3 4901216 JAAOEGCBXVGVLL-RZUBCFFCSA-N 338.447 4.892 0 40 EJAB biogenic,in-vitro Cc1ccccc1-c1noc(COc2cccc(Cl)c2Cl)n1 5293398 YQZORGNXZKJKMT-UHFFFAOYSA-N 335.190 4.931 0 40 EJAB C[C@H](Nc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(F)cc1 5934231 JMSFOSNWLGLLFU-HNNXBMFYSA-N 334.394 4.932 0 40 EJAB Cc1cc(C(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)c(C)o1 7670415 YFCQKQYKKUEOSL-UHFFFAOYSA-N 326.421 4.889 0 40 EJAB Cc1nc2ccc(Cl)cc2c(-c2ccccc2Cl)c1C(N)=O 7847650 JTUBNNNOFINJCU-UHFFFAOYSA-N 331.202 4.616 0 40 EJAB Cc1c(Cc2ccc(C(C)C)cc2)c(O)nc2nc3ccccc3n12 8973514 XXPJSZIGUUSCHO-UHFFFAOYSA-N 331.419 4.611 0 40 EJAB C[C@@H]1CCC[C@]2(CCc3cc4c5c(c(=O)oc4cc3O2)CCCC5)C1 9135101 WVUOPDJQAXABCC-PEBXRYMYSA-N 338.447 4.946 0 40 EJAB Cc1cc([C@H]2CCCCCN2Cc2ccc(OC(C)C)cc2)no1 12185861 UMIBMNGHZGZTPU-HXUWFJFHSA-N 328.456 4.888 0 40 EJAB CC(=O)c1cccc(Nc2nc(C(F)(F)F)nc3ccccc23)c1 12542696 NVHDRQMNJSNEJO-UHFFFAOYSA-N 331.297 4.595 0 40 EJAB O=C(CCc1c[nH]c2ccccc12)N(Cc1ccco1)c1ccccc1 12980672 ZBGMLCMDGQAQCB-UHFFFAOYSA-N 344.414 4.927 0 40 EJAB Oc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c(O)c1 13228437 YKZFBYGKWSTWIZ-UHFFFAOYSA-N 328.371 4.822 0 40 EJAB Cc1ccc(-c2nc(CC(=O)Nc3ccccc3F)cs2)c(C)c1 14094123 PICHWXWZEBGRDD-UHFFFAOYSA-N 340.423 4.747 0 40 EJAB COc1ccc(C)cc1NC(=O)[C@H](C)SCCCc1ccccc1 15492057 UQFMPHCBEYRLKQ-INIZCTEOSA-N 343.492 4.697 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2cccc(Cl)c2)c(C)c1 20108174 XZXPPKUWWQFAJV-HUUCEWRRSA-N 331.843 4.602 0 40 EJAB C[C@H](c1ccccc1)n1cnc2scc(-c3ccccc3)c2c1=O 21790149 LNDLMNUBSDFIMC-CQSZACIVSA-N 332.428 4.734 0 40 EJAB Clc1ccc(-c2noc(-c3ccc(Cl)nc3)n2)c(Cl)c1 22120411 OULNYYPPMDBVBQ-UHFFFAOYSA-N 326.570 4.759 0 40 EJAB CCCC(=O)N(Cc1ccco1)c1nc2c(C)ccc(C)c2s1 22899317 SXTMVNHGDLHDSW-UHFFFAOYSA-N 328.437 4.839 0 40 EJAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cccc2ncccc12 25438521 RNZPLCOHNLUTST-UHFFFAOYSA-N 344.336 4.526 0 40 EJAB COc1ccc(C(=O)N2CCC(c3ccccc3)CC2)c2ccccc12 25520966 WDUUHWJIUCNUGD-UHFFFAOYSA-N 345.442 4.868 0 40 EJAB Cc1ccc2c(C)c(C(=O)Nc3onc4c3C[C@H](C)CC4)oc2c1C 27794555 DRRLRPNKYQJRPN-SNVBAGLBSA-N 338.407 4.723 0 40 EJAB Cc1nccn1-c1ccc(NC(=O)c2ccc3ccccc3c2)cc1 28244358 KZSUQCXGHXMERT-UHFFFAOYSA-N 327.387 4.586 0 40 EJAB Cc1cc(C(C)(C)C)c(OCCCN2CCOCC2)c(C(C)(C)C)c1 31923235 DPITWIYSULDYSE-UHFFFAOYSA-N 347.543 4.691 0 40 EJAB in-vitro COc1ccc(Cl)cc1CSc1nnc(NC(C)(C)C)s1 32608884 HSQDKBOUBRYHDL-UHFFFAOYSA-N 343.905 4.703 0 40 EJAB O=P(Nc1cccnc1)(Oc1ccccc1)Oc1ccccc1 37866196 NBDOHDUIXKHKOS-UHFFFAOYSA-N 326.292 4.760 0 40 EJAB CC(C)[C@@H](NC(=O)Nc1ccc(F)c(F)c1F)c1cccs1 40023997 JAAMATCEJZNSHM-CQSZACIVSA-N 328.359 4.684 0 40 EJAB CCOC(=O)c1ccc(NC(=O)Nc2cccc(C(C)C)c2)cc1 51354264 UTZBBPWDFYHECR-UHFFFAOYSA-N 326.396 4.631 0 40 EJAB Cc1ccc(C)c([C@H](C)NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)c1 59351507 VFKAWBBXAXPGPZ-JKSUJKDBSA-N 345.870 4.910 0 40 EJAB COc1cc(Cl)c(C)cc1NC(=S)Nc1ccc(F)c(C)c1 71326161 WIQOJPZRWFINRE-UHFFFAOYSA-N 338.835 4.913 0 40 EJAB Cc1cc2nc(N[C@H](c3ncc(C)s3)C3CC3)c3ccccc3n2n1 72301681 CHGSVIJRGAEFGW-KRWDZBQOSA-N 349.463 4.519 0 40 EJAB CN(Cc1ccc[nH]1)C(=O)C1(c2cccc(Cl)c2)CCCCC1 95406143 PIJFDHFDLOFTOG-UHFFFAOYSA-N 330.859 4.529 0 40 EJAB CN1/C(=C/C(=O)Nc2ccccc2Cl)c2ccccc2CC1(C)C 100706804 BKODZKLRAMRNNE-LDADJPATSA-N 340.854 4.586 0 40 EJAB Cc1noc2c1[C@H](c1ccccc1F)C1=C(O)CC(C)(C)CC1=N2 102734473 ONCIIIKSXGVOBH-INIZCTEOSA-N 326.371 4.972 0 40 EJAB CC(=O)c1cccc(N(C(=O)OC(C)(C)C)c2cc(C)ccn2)c1 199711029 CJVCFIDRTFWQRE-UHFFFAOYSA-N 326.396 4.666 0 40 EJAB COc1ccc(C(=O)CCc2ccccc2C(F)(F)F)cc1OC 199728919 PDPGYKXCNMFKCS-UHFFFAOYSA-N 338.325 4.538 0 40 EJAB CC[C@H](Oc1cccc2ccccc12)C(=O)NC(C(C)C)C(C)C 216363665 DIFDSPBJCJUWCZ-SFHVURJKSA-N 327.468 4.794 0 40 EJAB O=C(c1c[nH]c2ccccc12)N1CCS[C@@H](c2cccs2)CC1 219496150 FTGYLDQNECPTDE-QGZVFWFLSA-N 342.489 4.550 0 40 EJAB CC(C)Oc1ccc(CCCNC(=O)Nc2ccc(Cl)cc2)cc1 222634791 MUQPSLIMGFNLJM-UHFFFAOYSA-N 346.858 4.882 0 40 EJAB COc1ccc([C@H](CC(C)C)NC(=O)c2cc(C)ccc2C)cc1 223403031 VPQDIPMFZHYFDO-FQEVSTJZSA-N 325.452 4.829 0 40 EJAB C[C@@H]1Cc2ccccc2N1C(=O)CCc1ccc(Cl)c(Cl)c1 225330946 GQUCASMYJUWVSU-GFCCVEGCSA-N 334.246 4.904 0 40 EJAB CCc1ccc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1 225576136 TZJKPCWHDFMHQY-QGZVFWFLSA-N 340.492 4.838 0 40 EJAB COc1ccc2c(c1)CCC[C@@H]2NC(=S)Nc1ccc(C)cc1C 225702103 FFMAUIIXSQIDKF-IBGZPJMESA-N 340.492 4.676 0 40 EJAB Cc1ccc(Cl)c(NC(=O)N2CCOc3cc(F)ccc3C2)c1C 585123666 ZYGIKBKYINXHAS-UHFFFAOYSA-N 348.805 4.522 0 40 EJAB CCCC[C@H](CC)CNC(=O)N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 1665564557 QLRLELVBSJVFGW-DZKIICNBSA-N 334.426 4.577 0 40 EJAB O=C(Nc1ccc2ccccc2c1)c1ccc(Br)cc1F 263527 KMIUMULUYPFSMF-UHFFFAOYSA-N 344.183 4.994 0 40 EJAB Oc1c(Br)cc(-c2ccccc2)cc1Br 405065 SKQRVOXIIAXXEM-UHFFFAOYSA-N 328.003 4.584 0 40 EJAB in-vivo Cc1ccc(NC(=O)c2noc3c2C[C@@H](C(C)(C)C)CC3)cc1C 426619 CJWBCOURPFJDQW-AWEZNQCLSA-N 326.440 4.695 0 40 EJAB Cc1ccc([C@H]2C[C@H](c3cccc(Cl)c3)n3ncnc3N2)cc1C 2919588 JGQKRLCBLLUPJI-QZTJIDSGSA-N 338.842 4.695 0 40 EJAB Cc1ccccc1C(=O)Nc1cccc(-c2nc3cccnc3s2)c1 2961408 NRCZPVWEEXWVJB-UHFFFAOYSA-N 345.427 4.919 0 40 EJAB CCN(C(=O)Cc1ccccc1F)c1nc2cc(Cl)ccc2s1 3427034 KYOGWTQISQVREZ-UHFFFAOYSA-N 348.830 4.684 0 40 EJAB Cc1cc(C)n2cc(COc3ccc(-c4ccccc4)cc3)nc2n1 4136862 RGOGRUNWCRGYQT-UHFFFAOYSA-N 329.403 4.592 0 40 EJAB O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)NC1CCCCC1 4370064 SJKKDTAINCCBIX-UHFFFAOYSA-N 334.423 4.684 0 40 EJAB O=C(CCC1CCCCC1)Nc1ccc(NC(=O)c2ccco2)cc1 4945030 QMLYKCFMFWVKRK-UHFFFAOYSA-N 340.423 4.831 0 40 EJAB C[C@@H](C[C@]1(c2ccccc2)CCOC(C)(C)C1)NCc1ccco1 5350364 JARGVZLPOWSQTB-LAUBAEHRSA-N 327.468 4.675 0 40 EJAB O=C(c1cc(-c2ccco2)nc2ccccc12)N1CCc2ccccc21 6580626 GSQNPAKXMRSXCF-UHFFFAOYSA-N 340.382 4.698 0 40 EJAB Cc1cnc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)s1 6969109 UNPJLYOXGFVVME-INIZCTEOSA-N 340.473 4.924 0 40 EJAB CC[C@H](C)c1ccccc1NC(=O)COc1cccc2cccnc12 8037134 CLZMMAQVKGTXIZ-HNNXBMFYSA-N 334.419 4.766 0 40 EJAB Cc1ccc2c(CC(=O)Nc3ccc(OC(F)F)cc3)coc2c1C 8277511 WGLJZVDBIYPBEB-UHFFFAOYSA-N 345.345 4.832 0 40 EJAB CC1(C)[C@@H](OC(=O)c2ccccc2)C[C@@]23CCC[C@@](C)(C[C@@H](O)[C@H]12)C3 8665486 OXQJARXRUUEAIC-CBJMIOPYSA-N 342.479 4.589 0 40 EJAB CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cccs2)N3)C1 17085840 ILUKGCHBTXYZLP-BMIGLBTASA-N 346.521 4.815 0 40 EJAB CCN(CC)Cc1ccccc1CNC(=O)Nc1ccc(Cl)cc1 18177335 KLQLWORNRQKAJX-UHFFFAOYSA-N 345.874 4.504 0 40 EJAB CC[C@H](Oc1ccccc1[C@H](C)CC)C(=O)Nc1cc(N)ccc1C 19736723 PBYZPQVAQPNFDE-KUHUBIRLSA-N 340.467 4.887 0 40 EJAB CN(CC(=O)Nc1c(Cl)cccc1Cl)[C@@H]1CCc2ccccc21 29483239 LAJFWEOTBROKHK-MRXNPFEDSA-N 349.261 4.551 0 40 EJAB COc1ccc(C(=O)OCc2cc3ccc(C)cc3nc2Cl)cc1 32942979 UIBSCUQQGMCIMX-UHFFFAOYSA-N 341.794 4.562 0 40 EJAB Cc1ccc2c(CC(=O)N(C)[C@H]3CCc4ccccc43)coc2c1C 37149135 ZWVWOUKVYDJKQE-FQEVSTJZSA-N 333.431 4.738 0 40 EJAB Cc1ccc(CN(C)C(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 38755950 FYTSEPGHLHSJPH-CSKARUKUSA-N 334.246 4.974 0 40 EJAB O=C(O)c1ccc(Nc2ccnc3ccc(C(F)(F)F)cc23)cc1 40175524 ICTOGRLJUFHTBE-UHFFFAOYSA-N 332.281 4.695 0 40 EJAB CCCOC(=O)c1cc(-c2ccccc2)cc(Br)c1OC 57339894 NZCITVAKCDDZGE-UHFFFAOYSA-N 349.224 4.692 0 40 EJAB Cc1cc(N)cc2sc(Nc3nc4cc(Cl)ccc4o3)nc12 57352665 BQHUPCQPBZRUCC-UHFFFAOYSA-N 330.800 4.725 0 40 EJAB Cc1nc2ccc3nc(NC(=O)Nc4cccs4)sc3c2s1 62017451 RFWFNBVYEODLFP-UHFFFAOYSA-N 346.462 4.920 0 40 EJAB Cc1cc([C@@H]2CCCCN2C(=O)OCc2ccccc2)c[nH]c1=S 72218290 DMYBTNJMECOSSF-KRWDZBQOSA-N 342.464 4.916 0 40 EJAB Cc1csc([C@H]2CCCCN2c2ncnc3sc(C)c(C)c23)n1 95393670 GJROWPDRMAVXJZ-CYBMUJFWSA-N 344.509 4.805 0 40 EJAB CCO[C@H](C)c1nc(CN[C@]2(C)CCCc3ccccc32)cs1 95960509 DBEZIRXABCBRRX-AUUYWEPGSA-N 330.497 4.582 0 40 EJAB CCN(C(=O)Nc1cccc(CSC)c1)[C@H](C)c1cccnc1 96406984 WRKBCVDYAGJGCY-CQSZACIVSA-N 329.469 4.560 0 40 EJAB CC(C)[C@@H]1C[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1=O 118934563 HSPBAJZIILLPKZ-JCNKSZRGSA-N 330.512 4.761 0 40 EJAB COc1ccc(CC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1C 222587781 VGJVCSVEVJWCBQ-INIZCTEOSA-N 339.479 4.721 0 40 EJAB CC[C@@H](Oc1ccccc1)C(=O)N[C@H](C)c1cc(C)c(C)cc1C 223491713 NFFYHNMICXFGNR-YLJYHZDGSA-N 325.452 4.647 0 40 EJAB CCC[C@H](C)NC(=O)c1ccc(OC)c(COc2ccccc2C)c1 224103545 ZXMDPMKXOBRZNG-INIZCTEOSA-N 341.451 4.501 0 40 EJAB Cc1ccccc1O[C@@H](Cc1ccc(Oc2ccccc2)cc1)C(=O)O 225109012 GNBVEZGTPZLQTN-NRFANRHFSA-N 348.398 4.862 0 40 EJAB CC(C)Oc1cccc(NC(=S)NCc2ccc(Cl)cc2)c1 225305549 FYLFQGVMDDSVKE-UHFFFAOYSA-N 334.872 4.614 0 40 EJAB CO[C@@]1(C(=O)Nc2ccc(OCC(C)C)c(C)c2)CCC[C@@H](C)C1 225637666 WVOYMJBLHVQXEW-QRWLVFNGSA-N 333.472 4.564 0 40 EJAB Cc1ccc(C(=O)Nc2ccc(C)c(-c3ccc(C(=O)O)o3)c2)cc1 226355904 AUXYJFWLZLMBFT-UHFFFAOYSA-N 335.359 4.514 0 40 EJAB CCOP(=O)(OCC)[C@]1(O)[C@H]2CCC[C@H]1[C@H](C)C1=C2CCCC1 253487215 GVPXFXTZGMNTTH-QCSYZSNVSA-N 342.416 4.878 0 40 EJAB COc1ccccc1CN1CCC[C@H](c2nc(C(C)C)cs2)C1 539818840 BKAZWKKKKCYERE-INIZCTEOSA-N 330.497 4.655 0 40 EJAB Cc1ccc2c(CC(=O)Nc3ncc(-c4ccccc4)[nH]3)coc2c1C 1558957369 DEDJQXYWMQHMDF-UHFFFAOYSA-N 345.402 4.621 0 40 EJAB CN1[C@H]2CC[C@@H]1C[C@H](O[C@@H]1C=C3C=CCC[C@@H]3Cc3ccccc31)C2 1569996983 PDYXHBQNNRAJDS-KLPRIYPRSA-N 335.491 4.818 0 40 EJAB O=C(Nc1ccc2oc(-c3ccncc3)nc2c1)c1ccccc1Cl 77618 VCXQGLXZOTWHLY-UHFFFAOYSA-N 349.777 4.796 0 40 EJAB O=C(Nc1ccc2oc(-c3cccc(F)c3)nc2c1)c1ccccc1 352946 QBYWYPOOHSQRPV-UHFFFAOYSA-N 332.334 4.886 0 40 EJAB CC(C)Oc1cccc(C(=O)Nc2ccccc2N2CCCCC2)c1 569680 IOFOJOOQICROBZ-UHFFFAOYSA-N 338.451 4.716 0 40 EJAB Cc1snc2sc(-c3ncc(C(F)(F)F)cc3Cl)c(N)c12 1397379 XXRQGXFUHCOUKA-UHFFFAOYSA-N 349.790 4.983 0 40 EJAB CSc1cccc(NC(=O)Oc2ccc(Br)cc2)c1 1753727 GNZVAYMZBOEMKG-UHFFFAOYSA-N 338.226 4.782 0 40 EJAB Cc1ccccc1CN(C)CC(=O)Nc1ccccc1-c1ccccc1 3340392 BMBWRFABZOCADR-UHFFFAOYSA-N 344.458 4.733 0 40 EJAB COc1ccc(Cl)cc1NC(=O)c1cc(F)c(F)cc1Cl 3549939 CQVPPZRDUQZCHQ-UHFFFAOYSA-N 332.133 4.533 0 40 EJAB O=C(Cc1ccccc1Cl)NCc1ccc(Cl)cc1Cl 3603000 JDKZWTCTSWPYEO-UHFFFAOYSA-N 328.626 4.506 0 40 EJAB COc1ccc2nc(S[C@H](C)C(=O)c3ccc(C)c(C)c3)[nH]c2c1 4406427 ISIUJSOMJQTGDW-CYBMUJFWSA-N 340.448 4.552 0 40 EJAB CC[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccccc2F)N3)C1 4545381 GHPOYLXPLVUNHT-MGPLVRAMSA-N 330.428 4.831 0 40 EJAB Cc1ccc(NC2(c3nnnn3-c3ccccc3C)CCCCC2)cc1 4608279 GXCWESUVIJEBQH-UHFFFAOYSA-N 347.466 4.551 0 40 EJAB Cc1ccc2nc(-c3ccccc3)c(Nc3ccc4c(c3)OCO4)n2c1 4735096 TVEVIEDOKXYEJB-UHFFFAOYSA-N 343.386 4.782 0 40 EJAB CSc1cccc2sc(NC(=O)c3ccc(Cl)s3)nc12 5299236 GRLQXRLRFPBOMM-UHFFFAOYSA-N 340.882 4.985 0 40 EJAB COc1cccc(C[C@@H](C(=O)c2ccc(O)cc2)c2ccccc2)c1 5640561 ZOIWZDVKQPFFKH-OAQYLSRUSA-N 332.399 4.610 0 40 EJAB CN(C)C[C@H]1CCCCCCCCCCCC[C@H](CN(C)C)C1=O 5837348 BAXULGVCSVLJSN-WOJBJXKFSA-N 338.580 4.606 0 40 EJAB Cc1cccc(OCCCC(=O)N[C@@H]2CCSc3ccccc32)c1 7814073 AMKXGSRWHQYFIV-GOSISDBHSA-N 341.476 4.507 0 40 EJAB CC1(C)Cc2cc(CNc3ccc(Br)cc3)ccc2O1 10299585 ROBVLPZFCVNWGW-UHFFFAOYSA-N 332.241 4.775 0 40 EJAB COC(=O)c1cccc(OCc2ccccc2)c1OCc1ccccc1 13481424 QOJGUIGQUAMSII-UHFFFAOYSA-N 348.398 4.631 0 40 EJAB O=C(Nc1cccc2c1CCCC2)C1(c2ccc(Cl)cc2)CC1 15315552 USUCZBDFUNOKIP-UHFFFAOYSA-N 325.839 4.889 0 40 EJAB CCSc1ccccc1NS(=O)(=O)c1c(C)cc(C)cc1C 20453038 BFTSAIBXOPDPPS-UHFFFAOYSA-N 335.494 4.525 0 40 EJAB CC[C@@H](NC(=S)Nc1ccc(C)cc1C)c1ccc(OC)cc1 20625058 XJHOMNQFQLGIGW-QGZVFWFLSA-N 328.481 4.750 0 40 EJAB COC(=O)c1c(-c2cccs2)csc1NC(=O)c1cccs1 21785434 ZGTHGMSQEBRYKE-UHFFFAOYSA-N 349.458 4.577 0 40 EJAB O=C(c1ccccc1Cl)N1CCC[C@@H]1c1nc2ccccc2s1 23039312 VXHXWIAFIYODPD-OAHLLOKOSA-N 342.851 4.927 0 40 EJAB Cc1cc(-n2c(C)cc(-c3csc(-c4ccco4)n3)c2C)no1 25204605 RTJBAJVMARZEDJ-UHFFFAOYSA-N 325.393 4.774 0 40 EJAB C[C@H](Sc1ncnc2ccsc12)C(=O)c1ccc2c(c1)CCC2 26959892 SIYIYJIHEPALHJ-NSHDSACASA-N 340.473 4.544 0 40 EJAB CCOc1cccc(CNC(=O)c2cc3c(ccc4ccccc43)o2)c1 30863790 VZTOERBLBVJBFK-UHFFFAOYSA-N 345.398 4.915 0 40 EJAB COc1ccccc1[C@H](C)N(C)Cc1ncc(-c2ccc(F)cc2)o1 32825415 GGKGUIDQXVDSAM-AWEZNQCLSA-N 340.398 4.682 0 40 EJAB C(=C1/CCCc2c1nc1ncnn1c2-c1ccccc1)\c1ccccc1 33672307 BIDJGCXSDFRCQD-JXAWBTAJSA-N 338.414 4.668 0 40 EJAB COc1cc(C(=O)Nc2ccccc2)ccc1OCc1ccc(C)cc1 33785033 FQJIDQXYEBHSMW-UHFFFAOYSA-N 347.414 4.835 0 40 EJAB CN(Cc1cccc(Cl)c1)C(=O)Nc1ccccc1N1CCCC1 43485951 JVPJLPCCAXFCAI-UHFFFAOYSA-N 343.858 4.604 0 40 EJAB c1ccc(CNCc2cc3ccccc3nc2N2CCCCC2)cc1 48285641 DQVRQCHEVYSMOE-UHFFFAOYSA-N 331.463 4.515 0 40 EJAB O=C(NCc1ccc(O)cc1)c1cc2sc3ccccc3c2s1 65500500 KOKWXTJDCKKUAV-UHFFFAOYSA-N 339.441 4.752 0 40 EJAB Cc1ccccc1NC1CCN(C(=O)C2(c3ccccc3)CCC2)CC1 65577016 VXWVQWOFZKNMKE-UHFFFAOYSA-N 348.490 4.520 0 40 EJAB C[C@H](NC(=S)N[C@H]1CCSc2c(F)cccc21)c1ccccc1 84656647 VYSCVTDHYTYXDX-LRDDRELGSA-N 346.496 4.588 0 40 EJAB O=C1N=C(Nc2cccc(C(F)(F)F)c2)/C(=C\c2ccncc2)S1 97527125 XJMGTIDSYTXMFI-MDWZMJQESA-N 349.337 4.819 0 40 EJAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)C1(c3cccc(F)c3)CCCC1)C2 102333780 IFTRZGCOYGZCOF-XERREHJYSA-N 343.486 4.969 0 40 EJAB O=C(NCC[C@H]1C[C@H]2CC[C@H]1C2)N1CCCCC[C@H]1c1ccncc1 107334946 PEOZENXAUFGANG-LEAZDLGRSA-N 341.499 4.535 0 40 EJAB O=C([C@H]1C[C@H]2C=C[C@H]1C2)N1CCCC[C@H](c2ccc(Cl)cc2)C1 206880537 GARJKMUUBOKHAV-XPYUAMARSA-N 329.871 4.648 0 40 EJAB CCCCOCc1cc(C(=O)Nc2ccc(Cl)cc2)ccc1OC 224436496 CXLJZMFSPAFFDP-UHFFFAOYSA-N 347.842 4.918 0 40 EJAB Cc1cc(NC(=O)c2ccc3c(c2)CCCC3)ccc1Br 225626186 NGQCZPLQOREMAF-UHFFFAOYSA-N 344.252 4.889 0 40 EJAB Cc1sc2c(c1C)C(=O)N[C@H](c1c(Cl)cccc1Cl)N2 535102 NENHSSRVWFCXKY-LBPRGKRZSA-N 327.236 4.526 0 40 EJAB O=C(Nc1cc(Cl)cc(Cl)c1)c1ccccc1OC(F)F 3330152 SPJREUCCYPOMPY-UHFFFAOYSA-N 332.133 4.847 0 40 EJAB COc1ccc(NC(=O)C[C@H](C(C)C)[C@@H]2CCOC(C)(C)C2)cc1 4064569 HKQAZWUSSIHYBS-CRAIPNDOSA-N 333.472 4.501 0 40 EJAB biogenic Cc1ccc(N2C[C@@H](c3nc4ccccc4n3C(C)C)CC2=O)c(C)c1 4903022 VJHHVIBJOMOPOK-KRWDZBQOSA-N 347.462 4.755 0 40 EJAB CCc1cccc(C)c1NC(=O)/C=C/c1cccc(Br)c1 6152537 IUOBMYSXGMTWJL-ZHACJKMWSA-N 344.252 4.972 0 40 EJAB COc1cccc(NCc2cc(=O)oc3cc(C)c(C(C)C)cc23)c1 6785783 VPNXCTFBSLHGNP-UHFFFAOYSA-N 337.419 4.846 0 40 EJAB Cc1cccc(C)c1NC(=O)CN(C)[C@@H](C)c1ccccc1Cl 6882133 VQOUUHRCNLNDTF-HNNXBMFYSA-N 330.859 4.588 0 40 EJAB COc1ccccc1C(=O)Nc1nc(-c2c[nH]c3ccccc23)cs1 7000465 XTPAGKTVOLHCCC-UHFFFAOYSA-N 349.415 4.552 0 40 EJAB CCCOc1ccc(/C=C/C(=O)Nc2ccccc2F)cc1OCC 8289023 GIBGQKVUGLQEJK-ZRDIBKRKSA-N 343.398 4.665 0 40 EJAB Cc1ccc([C@@H](NC(=O)c2ccccc2Br)C2CC2)cc1 11233890 GDZQKDLYZDNCPB-QGZVFWFLSA-N 344.252 4.639 0 40 EJAB O=C(Nc1nc2ccc(Cl)cc2s1)[C@@H]1Cc2ccccc2S1 11504296 RKQVPISUKAOXKQ-AWEZNQCLSA-N 346.864 4.605 0 40 EJAB CC(=O)NCc1ccc(-c2nc(-c3cccc(F)c3)sc2C)s1 14103252 UOIRQTMQIRRHAZ-UHFFFAOYSA-N 346.452 4.622 0 40 EJAB CCc1nnc2c3ccccc3nc(Nc3ccc(C)c(Cl)c3)n12 16162620 NGMUPKYUVAVYAC-UHFFFAOYSA-N 337.814 4.545 0 40 EJAB CC[C@H](Oc1cccc(C)c1)C(=O)N[C@H](CC)c1ccc(C)cc1 20043051 UAMIYVLTZYBCRZ-UXHICEINSA-N 325.452 4.728 0 40 EJAB O=C(Nc1cccnc1)c1ccc(CSCc2ccccc2)cc1 20238977 BDTHWDANYFUEAR-UHFFFAOYSA-N 334.444 4.767 0 40 EJAB CN(C)CCN(Cc1cccs1)Cc1ccc(Cl)cc1Cl 23247844 ZFDNUGCCWVYSJR-UHFFFAOYSA-N 343.323 4.619 0 40 EJAB CC[C@H](C)c1ccc(N[C@@H](C)C(=O)Nc2ccc(Cl)cn2)cc1 24986465 VBHCVSAQYJIXIG-STQMWFEESA-N 331.847 4.688 0 40 EJAB CCc1ccc(Cl)c(CC)c1NC(=O)c1ccc(C(C)=O)s1 29761184 ZMTKUFPLXNBFBG-UHFFFAOYSA-N 335.856 4.981 0 40 EJAB Cc1cccc(C)c1NC(=O)c1ccc(CN2CCC[C@@H](C)C2)cc1 38833497 IBVLBBLDMRFUFE-MRXNPFEDSA-N 336.479 4.788 0 40 EJAB CCN(C(=O)CN[C@@H](c1ccccc1)C(C)(C)C)c1ccccc1C 40155740 DBBUSWYGLFTDGJ-NRFANRHFSA-N 338.495 4.725 0 40 EJAB Clc1ccc(C2=N[C@@H]3N=C(c4ccccc4)S[C@H]3S2)cc1 41097523 APJAYBKWRXQIPW-BBRMVZONSA-N 330.865 4.679 0 40 EJAB CC(C)Sc1ncccc1C(=O)N(C)Cc1ccc([C@H]2C[C@H]2C)o1 48249426 RTEWZZYNAUKXIY-CJNGLKHVSA-N 344.480 4.571 0 40 EJAB COc1ccc([C@H]2CCCCCN2C(=O)c2ccnc(Cl)c2)cc1 48332455 ZLHZRDBFEPFATQ-QGZVFWFLSA-N 344.842 4.501 0 40 EJAB CCO[C@H](C)c1nc(CNc2c(F)cccc2N2CCCC2)cs1 86207639 AIJHMWNKSXNIMY-CYBMUJFWSA-N 349.475 4.592 0 40 EJAB CCc1cc2c(N3CCCC[C@H]3c3nc(C)cs3)ncnc2s1 95393666 RWCHLQWHCODNIJ-AWEZNQCLSA-N 344.509 4.750 0 40 EJAB CCOc1ccccc1NC(=O)[C@H](CC)Oc1ccc(Cl)c(C)c1 113970556 ABWPJEQCILBKQR-KRWDZBQOSA-N 347.842 4.843 0 40 EJAB Cc1ccccc1Nc1ccc(NC(=S)NCc2ccccc2)cn1 223924001 HDRWNOOWWCCWBY-UHFFFAOYSA-N 348.475 4.620 0 40 EJAB CCC1(CC)C[C@@H](NC(=O)Cc2ccc(C)cc2)c2ccccc2O1 224066774 VQEPTKPFABNMGB-LJQANCHMSA-N 337.463 4.736 0 40 EJAB CCCCOc1ccc(C(=O)Oc2ccc(-c3ccccc3)nn2)cc1 408530751 REXDUYURVFZBHU-UHFFFAOYSA-N 348.402 4.542 0 40 EJAB CCCOc1ccccc1[C@H]1SCC(=O)N1c1ccc(Cl)cc1 408554494 CZYQPYZITBNLCP-GOSISDBHSA-N 347.867 4.907 0 40 EJAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 408705574 IXTMDCCQIWAEOR-SECBINFHSA-N 328.170 4.539 0 40 EJAB CC(C)(C)[C@H](NC(=O)c1scnc1C1CCCC1)C(F)(F)F 546069664 KJEZSGARGDLLBW-ZDUSSCGKSA-N 334.407 4.508 0 40 EJAB COc1ccc([C@@H]2S[C@@H](C)C(=O)N2c2ccc(Cl)cc2)cc1 70321 ZZUISRVPMLVLLR-GTNSWQLSSA-N 333.840 4.516 0 40 EJAB CC(C)CC[C@@H](CCNCc1ccco1)c1ccc2c(c1)OCO2 2323730 UQAUOPVSUTUMKP-INIZCTEOSA-N 329.440 4.708 0 40 EJAB CCCCCn1c([C@H]2CC(=O)N(c3ccccc3)C2)nc2ccccc21 2666382 VIANCYOJQZIWAX-KRWDZBQOSA-N 347.462 4.747 0 40 EJAB CC(=O)Nc1ccc(SCCCC(=O)c2ccc(F)cc2)cc1 3280875 HSPSBYMCGSYABE-UHFFFAOYSA-N 331.412 4.539 0 40 EJAB CC1(C)c2ccccc2N2CCC(O)=N[C@@]21/C=C/c1cccc(F)c1 5485597 TZKLBLRWAFSXPF-ACUNGTFPSA-N 336.410 4.693 0 40 EJAB O=C(Cc1c[nH]c2ccccc12)Nc1nc2ccc(Cl)cc2s1 7486040 GOEXVXCOPUSSHI-UHFFFAOYSA-N 341.823 4.612 0 40 EJAB O=C(N[C@H](c1ccc(F)cc1)c1cccs1)c1cc(F)cc(F)c1 7737492 JZEUHGBPDKYQGW-QGZVFWFLSA-N 347.361 4.685 0 40 EJAB C[C@@H](CCc1ccccc1)NC(=O)COc1ccccc1C(C)(C)C 8041388 LPGZGYYJNINKLB-KRWDZBQOSA-N 339.479 4.500 0 40 EJAB Cc1nnc(-c2cc3ccccc3n2Cc2c(F)cccc2Cl)o1 9573863 BBWYEGRIXMEAAF-UHFFFAOYSA-N 341.773 4.841 0 40 EJAB Cc1ccc(CCC(=O)NCCSCc2ccc(Cl)cc2)cc1 10359972 RSBVPSNPBXLJLF-UHFFFAOYSA-N 347.911 4.631 0 40 EJAB O=C(Nc1nccs1)C1(c2cccc(C(F)(F)F)c2)CCCC1 10405689 WBPTUVRABMDZJG-UHFFFAOYSA-N 340.370 4.612 0 40 EJAB COc1ccccc1Oc1ccc(NC(=O)COc2ccccc2)cc1 11516325 CHDUJPKDMCNNEA-UHFFFAOYSA-N 349.386 4.505 0 40 EJAB C/C=C/C=C/C(=O)O[C@@H](C(=O)Nc1cc(C)cc(C)c1)c1ccccc1 15180803 QEVXPMQLNDNWJW-RCZBGFQDSA-N 349.430 4.659 0 40 EJAB O=C(Nc1ccccc1N1CCCC1)c1cc2cc(Cl)ccc2o1 19204095 SLXCXYVFXIJUIF-UHFFFAOYSA-N 340.810 4.939 0 40 EJAB Fc1ccccc1C1N(Cc2ccccc2)CCN1Cc1ccccc1 19324090 YGAJOWJEBILMGV-UHFFFAOYSA-N 346.449 4.842 0 40 EJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N1c2ccccc2C[C@H]1C 20042036 FAXCCAMVSWEAFN-IIBYNOLFSA-N 345.442 4.975 0 40 EJAB Cc1ccc(CCCNC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1 20492470 UACKXAMMXUOULN-SFHVURJKSA-N 339.479 4.635 0 40 EJAB CC(C)(C)[C@@H]1CCc2nc(NC(=O)c3ccccc3F)sc2C1 20897460 QSKJSDBKKUEVGR-LLVKDONJSA-N 332.444 4.686 0 40 EJAB O=C(Nc1nc(-c2ccccc2)cs1)C1(c2ccccc2)CCC1 25318260 UAAXKJWLUBNGLB-UHFFFAOYSA-N 334.444 4.871 0 40 EJAB COc1ccc2cc(CN[C@@H](C)c3ccc(F)cc3F)ccc2c1 25363181 LJHDWMWAFUIVCN-ZDUSSCGKSA-N 327.374 4.977 0 40 EJAB C[C@@H](c1cccs1)N(C)C(=O)c1cc(-c2cccc(Cl)c2)on1 30033904 WWTQUAIIAWEYTI-NSHDSACASA-N 346.839 4.890 0 40 EJAB CC[C@](C)(CCN(C(C)=O)[C@H]1CCOC(C)(C)C1)c1ccccc1 32069935 ZSQRPKOQHBLCNT-PZJWPPBQSA-N 331.500 4.551 0 40 EJAB Cc1ccccc1NC(=O)c1ccc(N2CCc3ccccc3C2)cc1 58440076 YIVOFTYHMYZOBC-UHFFFAOYSA-N 342.442 4.810 0 40 EJAB S=C(NC1CCCCC1)NC1c2ccccc2Oc2ccccc21 59497642 PVRIFDQOOBOQJF-UHFFFAOYSA-N 338.476 4.679 0 40 EJAB Cc1csc([C@H]2CCCCN2C(=O)C[C@@H]2CCc3ccccc32)n1 72285663 HQTWPCIYSFRWBY-FUHWJXTLSA-N 340.492 4.625 0 40 EJAB CCN(C(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F)C1CCCC1 84761147 XYLWGCKMJJCDNB-GJZGRUSLSA-N 325.374 4.600 0 40 EJAB CC[C@H](c1ccccc1)c1nnc(NC(=O)c2ccc(C)cc2)s1 95116325 ILAPYXXDIDIONA-MRXNPFEDSA-N 337.448 4.641 0 40 EJAB CC[C@H](C(=O)NC[C@](C)(OC)c1cccc(Cl)c1)c1ccccc1 96392426 RQECXSYQWYUETO-ICSRJNTNSA-N 345.870 4.512 0 40 EJAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NC(C(C)C)C(C)C 113971087 HOYYHNYRNFQGIK-MRXNPFEDSA-N 325.880 4.603 0 40 EJAB Cc1cc(C)c([C@@H](C)NC(=O)[C@@H](C)Oc2ccccc2Cl)cc1C 223454238 XCRLEEZVASBHOG-HZPDHXFCSA-N 345.870 4.910 0 40 EJAB CCNC(=S)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 225269815 RNUBQIBOIYXXNG-UHFFFAOYSA-N 340.492 4.521 0 40 EJAB COc1ccc([C@@H](CC(C)C)NC(=S)Nc2ccccc2F)cc1 225498168 PLOSALZNZMUVNZ-GOSISDBHSA-N 346.471 4.908 0 40 EJAB CCOc1cccc(NC(=S)N[C@@H](CC)c2ccccc2C)c1 225758147 FREDNTIUXKOGMP-SFHVURJKSA-N 328.481 4.831 0 40 EJAB CCCCOc1ccc(NC(=O)[C@@](C)(OC)C2CC2)c2ccccc12 225813386 FXTXWXNTMSWXDB-NRFANRHFSA-N 341.451 4.772 0 40 EJAB CCCCOc1ccc(NC(=O)[C@@](C)(CC)OCC)c2cccnc12 225893576 ZCYMHAPDLMVNBA-HXUWFJFHSA-N 344.455 4.557 0 40 EJAB Cc1cccc2cc(C(=O)Nc3cc(Cl)ccc3Cl)c(=O)oc12 226034711 FSICZGZXMQUXKD-UHFFFAOYSA-N 348.185 4.661 0 40 EJAB CCCn1c(SCc2ccc(F)cc2)nnc1-c1ccccc1 409096011 FDZHXAPCJOPTFW-UHFFFAOYSA-N 327.428 4.787 0 40 EJAB c1ccc2c(c1)CCC[C@H]2c1noc(-c2nccc3ccccc23)n1 546999594 UQDVIVIFQDOAQO-GOSISDBHSA-N 327.387 4.753 0 40 EJAB C[C@H](CN1CCCC1)[C@](O)(Cc1ccccc1)c1ccc(Cl)cc1 1698662 MEHPGVGVBWKTJB-DYESRHJHSA-N 343.898 4.502 0 40 EJAB CCC[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)NC(C)C 2326528 RIPALYDKMCHMGD-OVESXRPUSA-N 333.475 4.835 0 40 EJAB O=C(Cc1csc(-c2ccccc2)n1)N[C@H]1CCCc2ccccc21 2655839 SPBQIWSVBPAIMU-IBGZPJMESA-N 348.471 4.546 0 40 EJAB c1ccc(NCc2nn3cc(-c4ccccc4)c4c3n2CCCC4)cc1 4303650 YPORWRVQSJGKLG-UHFFFAOYSA-N 342.446 4.751 0 40 EJAB O=C(Nc1nccs1)c1ccc(-c2cc(Cl)ccc2Cl)o1 4536143 OKCLNMTYLHWDGW-UHFFFAOYSA-N 339.203 4.962 0 40 EJAB O=C(CC1c2ccccc2Oc2ccccc21)NCCc1cccs1 4717181 RLAVHCVBPTVKER-UHFFFAOYSA-N 349.455 4.735 0 40 EJAB CCCCOc1ccc(C(=O)Nc2ccccc2Cl)cc1OC 4815354 JMTIAOAVNCMWNV-UHFFFAOYSA-N 333.815 4.780 0 40 EJAB O=C(Cc1ccc(Cl)c(Cl)c1)Nc1ccccc1OC(F)F 6625810 MABFYJLZKIIXQL-UHFFFAOYSA-N 346.160 4.776 0 40 EJAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1cccc(Br)c1 8041000 WONUTJQRLGFJHE-INIZCTEOSA-N 348.240 4.554 0 40 EJAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)/C=C/c1cccs1 8131637 KUXQKUXYNJDEMQ-BZYZDCJZSA-N 328.462 4.591 0 40 EJAB C[C@H](CNC(=O)CCc1ccc(-c2ccccc2)o1)c1ccccc1 13013164 DWNRLGNYKKNSJL-QGZVFWFLSA-N 333.431 4.799 0 40 EJAB Cc1ccc2cc3c(nc2c1C)OCCN(CCCc1ccccc1)C3 13563791 TVAQGTZTEOOQOC-UHFFFAOYSA-N 346.474 4.679 0 40 EJAB Fc1ccc(OCc2ccc3ccccc3n2)c(Br)c1 20246628 ZCYQBFSXVIWNQK-UHFFFAOYSA-N 332.172 4.715 0 40 EJAB O=C(/C=C/c1ccco1)N[C@H](c1ccccc1)c1cc2ccccc2o1 24876784 RRDOXVDOHZELJN-CHHLAKQQSA-N 343.382 4.945 0 40 EJAB Cc1cc2cc(NC(=O)CCOc3cccc(Cl)c3)ccc2[nH]1 25129266 IQQYDAIMLHNRCB-UHFFFAOYSA-N 328.799 4.537 0 40 EJAB COc1ccc(-c2onc(C)c2-c2ccc(Cl)cc2)c(O)c1OC 26571951 TZUQCQBXUGFSMA-UHFFFAOYSA-N 345.782 4.693 0 40 EJAB Cc1ccccc1N(C(=O)Nc1cccc(Cl)c1)C1=NCCS1 27525267 XDCLPCFIWNLDFM-UHFFFAOYSA-N 345.855 4.790 0 40 EJAB Cc1cc(C(=O)N[C@@H]2CCSc3c(F)cccc32)c(C)n1C1CC1 28043887 OPOBUGRKWVOAQX-QGZVFWFLSA-N 344.455 4.546 0 40 EJAB C[C@H](c1cc2ccccc2o1)N(C)Cc1ccc(-n2cccn2)cc1 32754491 HSZGUGRXXCFFGY-MRXNPFEDSA-N 331.419 4.812 0 40 EJAB COc1ccc(Cc2nnc(SCc3cc(C)ccc3C)o2)cc1 36885438 YGGFCOZKAHPFBB-UHFFFAOYSA-N 340.448 4.578 0 40 EJAB C[C@H](c1ccc(F)cc1)N(C)C(=O)Nc1ccccc1N1CCCC1 40103756 XSHFYBSTXZGVEP-OAHLLOKOSA-N 341.430 4.651 0 40 EJAB CC[C@@H](C)c1ccc(OCC[C@H]2CCCCN2)c(Br)c1 42770387 FMEVYXJNSPYRRN-UKRRQHHQSA-N 340.305 4.874 0 40 EJAB COc1ccccc1NC(=O)[C@H](C)SCc1ccccc1Cl 45089815 VWMSVBZWDNSZGS-LBPRGKRZSA-N 335.856 4.609 0 40 EJAB Fc1cccc(-c2nc(CN3CCC[C@H]3c3cccc(F)c3)co2)c1 48262063 YSUPOJSVXCDGJC-IBGZPJMESA-N 340.373 4.957 0 40 EJAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N[C@@H](C)c1cc(C)ccc1C 59351525 HSUXIQSVIDFYPS-GHTZIAJQSA-N 339.479 4.955 0 40 EJAB CC(C)(C)OC(=O)N(c1ccccc1)c1ncccc1[C@@H]1CCCN1 72215844 IFXNTGPOPVPBNS-KRWDZBQOSA-N 339.439 4.579 0 40 EJAB Cn1cc(CCCC(=O)Nc2cccc3[nH]ccc23)c2ccccc21 72325549 HGBYWLPULCDSMX-UHFFFAOYSA-N 331.419 4.621 0 40 EJAB biogenic O=C(NCc1ccc(F)c(Cl)c1)c1ccc(Cl)c(Cl)c1 72331422 PALQLCIYRZYJQG-UHFFFAOYSA-N 332.589 4.716 0 40 EJAB Cc1cc(CN[C@@H](C)c2noc(-c3ccc(Cl)cc3)n2)ccc1F 80342405 LLOJUEVJMOWWQL-LBPRGKRZSA-N 345.805 4.688 0 40 EJAB Cc1ccc(/C=C2\CCn3c2nc2sc(C)c(C)c2c3=O)c(C)c1 97992385 WSVISILGSGXIMD-MHWRWJLKSA-N 336.460 4.636 0 40 EJAB C[C@@H](NC(=S)Nc1ccccc1C(F)(F)F)[C@@H]1C[C@@H]2CC[C@@H]1C2 100584429 LEQQCEPSIRJURM-LPWJVIDDSA-N 342.430 4.817 0 40 EJAB CO[C@@H](CNC(=O)Nc1ccccc1Cl)c1ccccc1Cl 206855721 OREBIIAELLYCGX-HNNXBMFYSA-N 339.222 4.503 0 40 EJAB CCc1ccc([C@H](C)NC(=O)[C@@H](CC)Oc2ccc(C)cc2C)cc1 223392246 XSISOVUNXPGCHO-FXAWDEMLSA-N 339.479 4.901 0 40 EJAB Cc1ccc(C[C@H](Oc2ccc3ccccc3c2)C(=O)O)cc1Cl 225080846 SWNIJMWFLACROM-IBGZPJMESA-N 340.806 4.876 0 40 EJAB CC[C@@H](CNC(=S)Nc1c(F)cccc1F)Cc1ccccc1 225631843 ZJVZPKAZQTTWRQ-CYBMUJFWSA-N 334.435 4.520 0 40 EJAB Cc1cccc2cc(C(=O)Nc3cccc4ccccc34)c(=O)oc12 226034523 JGNFCJFSOQNDLW-UHFFFAOYSA-N 329.355 4.507 0 40 EJAB O=C(CSCc1ccccc1)NC1(c2cccs2)CCCC1 575413737 HBXQNAWIIDFLKE-UHFFFAOYSA-N 331.506 4.567 0 40 EJAB CCOC(=O)c1cnc2ccc(F)cc2c1Nc1ccc(Cl)cc1 145920 LMNIWADLODXGLL-UHFFFAOYSA-N 344.773 4.948 0 40 EJAB O=C(Nc1cccc(F)c1)c1sc(Cl)nc1-c1ccccc1 385373 IVZSEDHGDWFHPU-UHFFFAOYSA-N 332.787 4.855 0 40 EJAB CCc1ccc2nc(-c3ccc(F)cc3)nc(SCC(C)=O)c2c1 412469 FKGHSJNKXSDQDP-UHFFFAOYSA-N 340.423 4.679 0 40 EJAB CCOC(=O)c1c(C)n(C)c2cc(-c3ccc(C)c(C)c3)c(O)cc12 1405241 FBBRXXQQSWFVMI-UHFFFAOYSA-N 337.419 4.653 0 40 EJAB CCN(CC)[C@H]1CCC[C@@H](Nc2ccnc3cc(Cl)ccc23)C1 1733778 ZODDUWYUOSRZLF-CVEARBPZSA-N 331.891 4.953 0 40 EJAB CCCCN(Cc1ccc(OC)cc1)C[C@@H](O)c1ccc(Cl)cc1 2042437 XCJDGUPOJRRALG-HXUWFJFHSA-N 347.886 4.684 0 40 EJAB Cc1nc2ccccc2nc1CSCc1nc2ccccc2nc1C 2626370 WKLYVEIDPPZAOJ-UHFFFAOYSA-N 346.459 4.623 0 40 EJAB c1ccc(Oc2nc(-c3ccccc3)nc3nc4ccccc4n23)cc1 3843098 FAESFHPQCRUDBY-UHFFFAOYSA-N 338.370 4.737 0 40 EJAB biogenic C[C@@H]1CC[C@@](C)(C(=O)CCOC(=S)Nc2ccccc2)C1(C)C 4235365 DAMDHESDQQVJRM-KUHUBIRLSA-N 333.497 4.822 0 40 EJAB biogenic O=C(CSCc1ccco1)Nc1cc(C(F)(F)F)ccc1Cl 4263055 IYWGTHYIIOWFCO-UHFFFAOYSA-N 349.761 4.824 0 40 EJAB COc1ccccc1-c1ccc(SCc2cccc(F)c2)nn1 4356125 DKWFBDOOOUEADU-UHFFFAOYSA-N 326.396 4.584 0 40 EJAB S=C(Nc1ccccc1Cl)Nc1ccccc1Br 6045456 NUSIXDMMVMFGPL-UHFFFAOYSA-N 341.661 4.911 0 40 EJAB Cc1ccc2nc(-c3ccccc3)c(NC(=O)c3cccc(F)c3)n2c1 6971058 PRMNIHWUQKPQDS-UHFFFAOYSA-N 345.377 4.701 0 40 EJAB Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccc(Cl)cc1F 8122828 NRFDXIKNIHGOAI-UHFFFAOYSA-N 347.802 4.558 0 40 EJAB CC(=O)c1cccc(Oc2nc(C(F)(F)F)nc3ccccc23)c1 8325968 AEPHVWHONBOMQS-UHFFFAOYSA-N 332.281 4.644 0 40 EJAB O=C(NCCSc1ccccc1)c1cc(C2CC2)nc2ccccc12 8361260 DWXLDCZZGCFLQO-UHFFFAOYSA-N 348.471 4.634 0 40 EJAB CCCCOC(=O)c1ccc(NC(=O)CCc2ccc(C)cc2)cc1 10332249 NJFVHTIJOGDLRO-UHFFFAOYSA-N 339.435 4.523 0 40 EJAB C[C@@H](Oc1cccc2ccccc12)C(=O)N1CCCc2ccccc21 13709556 HBWAAWHFEGERST-MRXNPFEDSA-N 331.415 4.587 0 40 EJAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(Br)cc1 14022361 HRQVDPIVUXJOIP-INIZCTEOSA-N 348.240 4.554 0 40 EJAB Cc1ccc2c(C)c(C(=O)N(Cc3ccco3)c3ccccn3)oc2c1 15833111 UYZAXAPQUSIQCB-UHFFFAOYSA-N 346.386 4.885 0 40 EJAB C[C@H](NC(=O)CCN1c2ccccc2Sc2ccccc21)C1CC1 25593197 DVVMCFYDGXGZJH-AWEZNQCLSA-N 338.476 4.594 0 40 EJAB COc1ccc(Cl)cc1NC(=O)Nc1nc(C(C)(C)C)cs1 28221373 WLFZYWZNNVHRMW-UHFFFAOYSA-N 339.848 4.747 0 40 EJAB Cc1cccc(C)c1NC(=O)N(C)Cc1ccccc1Br 40099272 SOAJJQNBOCMCQD-UHFFFAOYSA-N 347.256 4.730 0 40 EJAB Cc1ccc(OCCN(C)C(=O)Nc2c(C)cccc2C(C)C)cc1 43313355 QPLQMKSXWXWFDK-UHFFFAOYSA-N 340.467 4.970 0 40 EJAB OC1=Nc2c(cnn2Cc2ccc(Cl)cc2)[C@@H](c2ccsc2)C1 49546448 AZHINZWENLESET-CQSZACIVSA-N 343.839 4.770 0 40 EJAB Cc1ccc(Cl)cc1NCc1ccc(O)c(Br)c1 57997926 JQDBMYFRTLOTHP-UHFFFAOYSA-N 326.621 4.729 0 40 EJAB Cc1cc(O[C@@H](C)C(=O)Nc2ccc(F)c(Cl)c2)ccc1Cl 58839985 YMCASIAHBACHES-JTQLQIEISA-N 342.197 4.847 0 40 EJAB CC(C)C[C@H]1CC(=O)Nc2c1sc(C(=O)O)c2-c1ccccc1 61719145 WMVMNSNBKZSDLC-LBPRGKRZSA-N 329.421 4.585 0 40 EJAB Cc1nc(C(=O)N[C@H](c2ccccc2)c2cc3ccccc3o2)cs1 65474424 PRHMCDKFYKMDBP-LJQANCHMSA-N 348.427 4.717 0 40 EJAB Fc1cc(F)cc(NC(=S)Nc2ccccc2Br)c1 71761048 JRYHDJYYXVILGN-UHFFFAOYSA-N 343.196 4.536 0 40 EJAB O=C(c1cc2ccccc2[nH]1)N(Cc1ccoc1)Cc1cccs1 96120650 FMLOOOAPTNEOTE-UHFFFAOYSA-N 336.416 4.665 0 40 EJAB Nc1c(C(=O)c2ccc(Cl)s2)sc2nc3c(cc12)CCCC3 96336473 ZXOQFQWKEQDSTK-UHFFFAOYSA-N 348.880 4.703 0 40 EJAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4C[C@H](C)C(=O)[C@@]4(C)CC[C@@H]32)C1 118915062 KXXNUNSCEDGUDA-CDFICMNGSA-N 346.511 4.776 0 40 EJAB C[C@H]1C[C@@H]2CC(=O)[C@H](C)C[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]3(C)O)[C@H]12 118929441 PYTJFKXDHIGLJZ-HDIOOGBKSA-N 332.528 4.841 0 40 EJAB COc1cccc2cc(-c3nnc(-c4ccc(C)cc4)o3)c(C)nc12 216604259 AZYWAKAYPNUEOW-UHFFFAOYSA-N 331.375 4.577 0 40 EJAB O=C(Nc1c(F)cccc1F)c1cc2cc3ccccc3nc2s1 223130083 SJFJBFSIGNQBNM-UHFFFAOYSA-N 340.354 4.980 0 40 EJAB CCN(c1cc(C)ccc1C)S(=O)(=O)c1ccc2ccccc2c1 225043030 OKZKHWYVMSKILU-UHFFFAOYSA-N 339.460 4.672 0 40 EJAB O=C(CCc1ccc(Cl)cc1Cl)NCc1ccc(Cl)cc1 225368380 JHMKEPJZTWFAJK-UHFFFAOYSA-N 342.653 4.896 0 40 EJAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)NC1CCCCCCC1 225805076 WLSVWJJERNNZSZ-MRXNPFEDSA-N 329.484 4.562 0 40 EJAB CC(=O)[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](O)CC[C@@H]4[C@H]3CC[C@@]2(C)C1 245239267 HAAMJEYGPJBHCI-FUZNTBAXSA-N 332.528 4.985 0 40 EJAB COc1ccc2c(c1)Cc1sc(=Nc3cccc(Cl)c3)[nH]c1-2 408890031 MVEOQPDEDQQSKR-UHFFFAOYSA-N 328.824 4.542 0 40 EJAB Fc1ccccc1COc1ccc(C(=S)N2CCCCC2)cc1 409206877 QUPAXPIRLHATEC-UHFFFAOYSA-N 329.440 4.566 0 40 EJAB O=c1oc(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cc12 49094 NUWCJRBRYGSEPF-UHFFFAOYSA-N 326.566 4.815 0 40 EJAB CCOC(=O)c1cnc2ccc(OCC)cc2c1Nc1ccccc1 71814 AZZPVUZGCAVYBE-UHFFFAOYSA-N 336.391 4.554 0 40 EJAB Cc1ccc(NC(=O)c2cccs2)cc1NC(=O)c1ccccc1 237457 QVOGFJAKFJJBAS-UHFFFAOYSA-N 336.416 4.561 0 40 EJAB Cc1nnc2c(Oc3ccc(C(C)(C)C)cc3)nc3ccccc3n12 524635 DBOPWALMNGAOHI-UHFFFAOYSA-N 332.407 4.676 0 40 EJAB CC(=O)N(CC[C@H](c1ccccc1)c1ccco1)Cc1cccs1 551309 QQOFIKYXBNAFHI-LJQANCHMSA-N 339.460 4.912 0 40 EJAB CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1cccc(Cl)c1 568853 LGFAHCGVWXEEDT-LBPRGKRZSA-N 346.883 4.980 0 40 EJAB Cc1ccc(NC(=O)[C@@H](C)n2c(C(F)(F)F)nc3ccccc32)cc1 1394810 NCWMPCUJKALMBL-GFCCVEGCSA-N 347.340 4.563 0 40 EJAB C[C@@H](CN1CCCC1)[C@@](O)(c1ccc(Cl)cc1)C1CCCCC1 1698649 SYKZFXRPVKSEHD-JXFKEZNVSA-N 335.919 4.840 0 40 EJAB Clc1nc(Cl)nc(-c2cn(-c3ccccc3)c3ccccc23)n1 1734413 VRMJUCBBYYGHLR-UHFFFAOYSA-N 341.201 4.789 0 40 EJAB O=C(CSc1cccc2cccc(Cl)c12)NCc1cccs1 3363599 AHPMPCLUFPQOTH-UHFFFAOYSA-N 347.892 4.963 0 40 EJAB Cc1cccc2sc(NC(=O)COc3cccc4ccccc34)nc12 3558854 BNBOEXGVVHNNTN-UHFFFAOYSA-N 348.427 4.775 0 40 EJAB Cc1ccc2ccc(/C=C\C3=[N+](C)c4ccccc4C3(C)C)c(O)c2n1 4824330 KUJPMVMZKOSPOE-UHFFFAOYSA-O 343.450 4.968 0 40 EJAB O=C(NC12CC3CC(CC(C3)C1)C2)N1CCC[C@@H](c2ccccc2)C1 4935897 JGYAIBIEFQEVPW-MYZSEDEFSA-N 338.495 4.544 0 40 EJAB CC(=O)c1c(C)[nH]c(C(=O)COc2ccc(-c3ccccc3)cc2)c1C 7896815 NYOKQBLAHWWVKR-UHFFFAOYSA-N 347.414 4.763 0 40 EJAB CCOc1ccc(C(=O)N[C@H](C)c2ccc3ccccc3c2)cc1OC 8189782 RVRJCVNZQMCZEF-OAHLLOKOSA-N 349.430 4.738 0 40 EJAB Cc1ccc2cc(CNc3cccc(Cl)c3C)c(=O)[nH]c2c1C 12492952 QIQUNYBBPXJKJL-UHFFFAOYSA-N 326.827 4.719 0 40 EJAB COc1ccc(NC(=O)c2ccccc2CCc2ccccc2)cc1 13688223 OGLHQTSPNOSKAF-UHFFFAOYSA-N 331.415 4.733 0 40 EJAB COc1ccc([C@H](C)O)cc1CSc1nc2ccccc2s1 14163488 CGTNPLHASUAKMJ-NSHDSACASA-N 331.462 4.651 0 40 EJAB Cc1ccc2cccc(OCC(=O)c3cc(C)n(C(C)C)c3C)c2n1 14339460 UQHTWCZCQBLCKI-UHFFFAOYSA-N 336.435 4.804 0 40 EJAB COc1ccccc1CN1CCC[C@H](c2cc3ccccc3cn2)C1 19570326 LZNTVDJUUFYRPZ-IBGZPJMESA-N 332.447 4.623 0 40 EJAB c1ccc(C2CCC(N3CCN([C@H]4C[C@H]5CC[C@@H]4C5)CC3)CC2)cc1 19831816 LRFGDHOYBPTOBR-XXZAMGIKSA-N 338.539 4.519 0 40 EJAB O=C(Nc1sc2c(c1C(=O)O)CCCCC2)c1ccc(Cl)cc1 20334905 AVYYJCSJWZTITG-UHFFFAOYSA-N 349.839 4.621 0 40 EJAB CCC[C@](O)(c1ccccc1)[C@H](CN1CCCCC1)c1ccccc1 27241991 FZFRYOBRYWNHTG-PKTZIBPZSA-N 337.507 4.944 0 40 EJAB CC1=C[C@H](C)[C@H](CNCCNC[C@H]2[C@H](C)C=C(C)C[C@H]2C)[C@@H](C)C1 32523686 XPPZSKFTXPXUHK-RBFKZVKLSA-N 332.576 4.642 0 40 EJAB CCc1ccc2nc(C(=O)OC)cc(Nc3ccc(C)c(F)c3)c2c1 38653208 DBKCSEKJPJDCQL-UHFFFAOYSA-N 338.382 4.775 0 40 EJAB C[C@@H](NC(=O)Nc1cccc(OC(F)(F)F)c1)c1cccs1 44018093 QCBIKJKOHXSXHT-SECBINFHSA-N 330.331 4.529 0 40 EJAB O=C(/C=C/c1ccccc1)O[C@@H](c1cccc(F)c1)c1ccccn1 65591935 OXWZMDKRYMSTPH-IWGBCORSSA-N 333.362 4.567 0 40 EJAB O=C(Nc1cccc(N2CCCCC2)c1)N[C@@H]1CCCc2ccccc21 70005627 UXXQUKLGWRSZNC-OAQYLSRUSA-N 349.478 4.876 0 40 EJAB CCCC(=O)Nc1ccc(O)c(-c2nc3cc(Cl)ccc3o2)c1 70462073 VNVJMIBDQONYAA-UHFFFAOYSA-N 330.771 4.592 0 40 EJAB Cc1ccccc1C(=O)N1N=C(c2ccco2)C[C@H]1c1ccccc1 95946354 SGBBPKXARVFQRW-IBGZPJMESA-N 330.387 4.580 0 40 EJAB COc1ccc(-c2onc(NC(C)=O)c2-c2ccc(Cl)cc2)cc1 96335826 CQFLDAFIKVAUAB-UHFFFAOYSA-N 342.782 4.629 0 40 EJAB Cc1cccc(Oc2ccc(N3C(=O)[C@H]4C[C@@H](C)CC[C@H]4C3=O)cc2)c1 100744487 RPFXZAVVAHHALA-BEVDRBHNSA-N 349.430 4.713 0 40 EJAB CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)CCC[C@H]4[C@@H]3C(=O)C[C@H]2C1 118925272 KLFLXXSXHKVJTP-DGONOLKGSA-N 332.484 4.530 0 40 EJAB CC(C)C(NC(=O)CSCc1ccc(Cl)cc1F)C(C)C 222920417 VNVOBMOMDYEXQX-UHFFFAOYSA-N 331.884 4.509 0 40 EJAB CCOc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1C 223000367 UHSDGVLTQRRDHZ-MRXNPFEDSA-N 337.463 4.764 0 40 EJAB CCCOc1c(C)cc(NC(=O)C2(OCC)CCCCC2)cc1C 225710206 KRWUOAYLVVGVSZ-UHFFFAOYSA-N 333.472 4.770 0 40 EJAB Cc1ccnc(Nc2cc(Br)ccc2Br)c1 228955458 DTZMIFLHRRTWLR-UHFFFAOYSA-N 342.034 4.659 0 40 EJAB Cc1ccc(NC(=S)Nc2ccc3nc(C)c(C)nc3c2)cc1C 408735146 KDXPIOJYPXMNJN-UHFFFAOYSA-N 336.464 4.672 0 40 EJAB CCc1ccc(-c2csc(NC(=O)c3cccc(OC)c3)n2)cc1 136928 HZHPZNXDWSPWQG-UHFFFAOYSA-N 338.432 4.633 0 40 EJAB O[C@H](CNc1cccc2ccccc12)COc1ccc2ccccc2c1 504435 FVIDRQIFCFSYNT-HXUWFJFHSA-N 343.426 4.845 0 40 EJAB Clc1ccccc1CSc1nc(Cl)c2c(n1)CCCC2 1393058 YSWLDACZZBLBRD-UHFFFAOYSA-N 325.264 4.955 0 40 EJAB COCc1nc2ccccc2n1CCCCOc1ccc(Cl)cc1 1926913 STFKNPWPIKFWOI-UHFFFAOYSA-N 344.842 4.695 0 40 EJAB CCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1cccc(C)c1)CO3 2114485 ZTPJAIBHYAWAJZ-UHFFFAOYSA-N 349.430 4.719 0 40 EJAB biogenic CCCCn1nc(NC(=O)CC(C)C)c2cc3cccc(C)c3nc21 2588352 MDZQJNCDLMDEPT-UHFFFAOYSA-N 338.455 4.678 0 40 EJAB CCC(=O)O[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C 4023364 ULJOJMSGJSWPSE-GLRKZIRRSA-N 342.479 4.616 0 40 EJAB biogenic CCC[C@@H]1C[C@](C)(c2csc(Nc3ccccc3C)n2)OC1=O 4116798 PGNDOLKJNWJKDP-FZKQIMNGSA-N 330.453 4.774 0 40 EJAB C[C@@H](Sc1nncn1-c1cccc(Cl)c1)c1ccc(F)cc1 8427799 WHLLFTRPSKNYTQ-LLVKDONJSA-N 333.819 4.913 0 40 EJAB CCCCCCc1nnc(NC(=O)Nc2cccc(Cl)c2)s1 8771996 XSZPPIJAIZAJFX-UHFFFAOYSA-N 338.864 4.958 0 40 EJAB Nc1cc(-c2ccc(Cl)cc2)sc1-c1nnc2n1CCCCC2 8877929 CQQRKGANJCTQSJ-UHFFFAOYSA-N 344.871 4.636 0 40 EJAB CC(C)[C@H]1C[C@@](CCNCc2ccco2)(Cc2ccccc2)CCO1 9047503 FTYLBMAHZDXPAM-FGZHOGPDSA-N 341.495 4.823 0 40 EJAB O=C(Nc1ccc(SCc2cccnc2)cc1)c1cccs1 9117683 HBLOHFGFMLFOOV-UHFFFAOYSA-N 326.446 4.688 0 40 EJAB Cc1nn2c(O)cc(-c3ccccc3Cl)nc2c1-c1ccccc1 9183691 OYQVBLSMLASAMI-UHFFFAOYSA-N 335.794 4.731 0 40 EJAB CSc1nc(-c2ccccc2)c(NC(=O)c2cccs2)s1 12442801 OJRHGGBEUZIFOS-UHFFFAOYSA-N 332.475 4.846 0 40 EJAB CC[C@H](C)c1ccccc1NC(=O)CSc1nc2ccccc2[nH]1 12540973 PUQBAIUYRWWUTG-ZDUSSCGKSA-N 339.464 4.807 0 40 EJAB O=C(c1ccccc1Cl)c1c(-c2ccccc2)nc2ccccn12 12590404 VCBKJQNMUSPLAD-UHFFFAOYSA-N 332.790 4.886 0 40 EJAB C[C@@H](Oc1cccc2ccccc12)C(=O)NCc1ccc(Cl)cc1 13709028 UQSWULXEMKASDB-CQSZACIVSA-N 339.822 4.577 0 40 EJAB O=C(Nc1nc2c(s1)CCC2)c1ccc(-c2ccccc2Cl)o1 15636941 MBJSZZYMQITFCX-UHFFFAOYSA-N 344.823 4.798 0 40 EJAB Cc1ccc(CN(C)C(=O)CCSc2ccc(Cl)cc2)cc1 20039714 KBJGKWDWPOHNRT-UHFFFAOYSA-N 333.884 4.789 0 40 EJAB CN(C(=O)c1ccc(CN2CCc3ccccc32)cc1)c1ccccc1 20451829 JHATVNICLXGDEU-UHFFFAOYSA-N 342.442 4.526 0 40 EJAB COc1cc2c(cc1NC(=O)c1cccc3ccccc13)CCCC2 21006024 OTZHBRLCSLNOPT-UHFFFAOYSA-N 331.415 4.980 0 40 EJAB Fc1cccc(-c2nc(CN3CCC[C@@H]3c3cccs3)co2)c1 28962556 GDLCKFXNVQKBBM-MRXNPFEDSA-N 328.412 4.879 0 40 EJAB COc1ccc(CNCc2ccc(-c3ccc(Cl)cc3)o2)cc1O 32735881 LCZUREDHYLXBMX-UHFFFAOYSA-N 343.810 4.604 0 40 EJAB CCOc1ccc(NC(=O)c2c(C)noc2-c2ccc(C)cc2)cc1 35671951 ALBQARIZLDFCDD-UHFFFAOYSA-N 336.391 4.609 0 40 EJAB CCc1ccc(O[C@H](C)C(=O)Nc2ccc(C)c3ncccc23)cc1 41157628 SEWSMGAYZHEIMZ-OAHLLOKOSA-N 334.419 4.512 0 40 EJAB COc1ccc([C@@H](CC(C)C)NC(=O)CSc2ccccc2)cc1 44903942 ZNLLBUFVCVYDSR-LJQANCHMSA-N 343.492 4.691 0 40 EJAB CC(C)Sc1ncccc1C(=O)N(C)Cc1ccc([C@@H]2C[C@H]2C)o1 48249436 RTEWZZYNAUKXIY-CZUORRHYSA-N 344.480 4.571 0 40 EJAB Cn1cc(C(=O)Oc2ccc(Oc3ccccn3)cc2)c2ccccc21 70037816 TZORHQDDNPCAPP-UHFFFAOYSA-N 344.370 4.585 0 40 EJAB CC1=Nc2c(c(O)nn2C2CCCC2)[C@H](Cc2ccccc2)S1 71285376 NFWWAZLDTWYUFG-HNNXBMFYSA-N 327.453 4.784 0 40 EJAB CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1CC 72214755 SMSLOWVPRXZMIS-QGZVFWFLSA-N 347.503 4.780 0 40 EJAB CC(C)(C)OC(=O)N1CCC[C@H]1CNc1cccc(C(F)(F)F)c1 83264792 LJUZAOMAVRNSJM-AWEZNQCLSA-N 344.377 4.517 0 40 EJAB CC[C@H](c1ccncc1)N(C)C(=O)Nc1cccc(OC(F)F)c1C 96415885 PPJWEGDXCCJFGP-OAHLLOKOSA-N 349.381 4.606 0 40 EJAB CC(C)C[C@H](NC(=O)C[C@H]1CCO[C@H](C(C)C)C1)c1cccs1 97081232 SIBXVZAITTWSIZ-ULQDDVLXSA-N 337.529 4.793 0 40 EJAB O=C(Nc1ccc(F)cc1)C1[C@@H]2CC[C@@H]3[C@@H](CC[C@@H]12)C3(Cl)Cl 102716459 NLTXPOMUPHQBKJ-AAVRWANBSA-N 342.241 4.620 0 40 EJAB O=C(NCc1cccs1)N1CCCC[C@H](c2ccc(Cl)cc2)C1 206881546 SSLRNGHYOQCRDD-HNNXBMFYSA-N 348.899 4.881 0 40 EJAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(OC3CCCC3)cc2)cc1 218972246 XTVABACXKSRZKE-INIZCTEOSA-N 339.435 4.722 0 40 EJAB Cc1cc2c(cc1C)N(Cc1ccc(C(=O)O)o1)C(C)(C)C[C@@H]2C 223233895 HHHCYBWUZPASFQ-AWEZNQCLSA-N 327.424 4.887 0 40 EJAB CCCC[C@H](CC)CNC(=O)CSCc1ccc(Cl)cc1 223406211 OIHWFTPSOVHIAM-AWEZNQCLSA-N 327.921 4.906 0 40 EJAB Cc1ccccc1Nc1ccc(NC(=S)NC2CCCCC2)cn1 224039359 FNEPRHNKEQDOOP-UHFFFAOYSA-N 340.496 4.753 0 40 EJAB CC(C)CSc1nnc(NC(=O)Nc2ccc(Cl)cc2)s1 224250497 ZOVQOQZDZMABMI-UHFFFAOYSA-N 342.877 4.584 0 40 EJAB CCCOc1ccc(NC(=O)C(C)(C)OCCC)c2ccccc12 225838153 VGLWAANTADKGSS-UHFFFAOYSA-N 329.440 4.772 0 40 EJAB Cc1ccc(-c2nc3ccc(N4Cc5ccccc5C4=O)cc3o2)cc1 226286853 RAHYWMSQTCSPSN-UHFFFAOYSA-N 340.382 4.964 0 40 EJAB Cc1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc1N 226365431 ZGHRCTHNRTYCGM-UHFFFAOYSA-N 326.783 4.743 0 40 EJAB CCCCOc1ccc(Cl)cc1C(=O)OCC(=O)c1ccccc1 408588246 VFSWXDBZLIGBEN-UHFFFAOYSA-N 346.810 4.559 0 40 EJAB CC(C)(C)CC(=O)NC(=S)N(C1CCCCC1)C1CCCCC1 150266 BMXMKKBLDOPWQX-UHFFFAOYSA-N 338.561 4.791 0 40 EJAB O=C(c1cccnc1Cl)N(Cc1ccccc1)Cc1cccs1 165279 UQHDRIHGRBEHTG-UHFFFAOYSA-N 342.851 4.639 0 40 EJAB Cc1cc(C)cc(OCC(=O)Nc2ccc3c4c(cccc24)CC3)c1 342080 IGWJGRPJCVTSFE-UHFFFAOYSA-N 331.415 4.573 0 40 EJAB aggregator CC(C)C(=O)Nc1c(-c2ccc3ccccc3c2)nc2ccccn12 521919 NFXCVCPFMPRCRF-UHFFFAOYSA-N 329.403 4.749 0 40 EJAB O=C(Cc1coc2ccc3ccccc3c12)Nc1ccc(Cl)cn1 1105734 WQFYIONJDVUGKT-UHFFFAOYSA-N 336.778 4.816 0 40 EJAB Cc1ccc(C)c(C(=O)[C@H](C)Sc2nnc(-c3ccccc3)o2)c1 3405436 VDHKBJJEPHCMCP-AWEZNQCLSA-N 338.432 4.717 0 40 EJAB Cc1[nH]c2ccccc2c1[C@H]1[C@H](CCNC(=O)c2ccco2)C1(C)C 3765611 RYNNDFMUPGRFQM-HNAYVOBHSA-N 336.435 4.629 0 40 EJAB COc1ccc(SC[C@@H]2CN(C)CC[C@H]2c2ccc(F)cc2)cc1 4128303 MLARQDLTIVCLRN-JXFKEZNVSA-N 345.483 4.662 0 40 EJAB O=C(O)CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccccc12 4227988 YFLZGBNBTRYCQH-UHFFFAOYSA-N 330.387 4.790 0 40 EJAB CC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccc(Cl)cc1Cl 4376015 QICJHAUUUUEGAD-GOSISDBHSA-N 347.245 4.999 0 40 EJAB O[C@]1(c2ccccc2)C=C(c2ccccc2)C=C(c2ccccc2)O1 5046444 CDTMVTOBRQAEQZ-HSZRJFAPSA-N 326.395 4.987 0 40 EJAB Cc1ccc(C(=O)[C@H](Sc2nccn2C)c2ccc(C)cc2)cc1 5358651 AZTYBMRKSDQBDL-LJQANCHMSA-N 336.460 4.753 0 40 EJAB Cc1cc(NC(=O)c2ccccc2Br)c(C(C)C)cc1O 5697625 GVCHAFUXPURRNE-UHFFFAOYSA-N 348.240 4.839 0 40 EJAB CCCn1c(NC(=O)c2cc(F)c(F)cc2Cl)nc2ccccc21 6516421 IZLGMDUKLWYWLR-UHFFFAOYSA-N 349.768 4.630 0 40 EJAB CCOCCCNCc1ccc(-c2cc(Cl)ccc2Cl)o1 7524493 UZCKEUQZSIIPLV-UHFFFAOYSA-N 328.239 4.770 0 40 EJAB Cc1ccc2[nH]c(SCC(=O)c3oc4ccccc4c3C)nc2c1 8345747 OPPQDNPTGDUJBZ-UHFFFAOYSA-N 336.416 4.901 0 40 EJAB CCCc1cc(Nc2ccccc2)n2nc3nc(C)cc(C)c3c2n1 8843995 VRTOACXVMMOITM-UHFFFAOYSA-N 331.423 4.590 0 40 EJAB Cc1ccc([C@@H](CCN[C@H]2CCO[C@H](C(C)C)C2)c2ccco2)cc1 9485881 BGTUPBQBRXSYOP-VWPQPMDRSA-N 341.495 4.903 0 40 EJAB Cc1nc(Nc2ccccc2)nc2c1C(=O)C[C@@H](c1ccc(F)cc1)C2 10156539 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PLVSTETUULDYJU-CVEARBPZSA-N 345.870 4.644 0 40 EJAB Cc1cc(C)c(C)c(O[C@H](Cc2ccc(C(C)C)cc2)C(=O)O)c1 225046327 JPPIUKZBLSGLSH-HXUWFJFHSA-N 326.436 4.810 0 40 EJAB CC(C)C1(NC(=S)Nc2ccc(Br)cc2)CCCC1 225846313 BBVMILFYMPGVNC-UHFFFAOYSA-N 341.318 4.704 0 40 EJAB CCCCc1ccc(NC(=O)c2cc3cccc(C)c3oc2=O)cc1 226035617 KVDOZRLOBSHZMS-UHFFFAOYSA-N 335.403 4.696 0 40 EJAB CCCC(=O)N1CCC[C@H](c2cc(-c3ccc(F)cc3)cc(C)n2)C1 257233025 GNKMCWGCXHLJOK-KRWDZBQOSA-N 340.442 4.702 0 40 EJAB COc1cccc(Nc2nc(C)nc3sc4c(c23)CCCC4)c1 215518 CZDOUMKKSFMLRS-UHFFFAOYSA-N 325.437 4.631 0 40 EJAB Cc1cccc(-n2c(-c3ccco3)nc3nc4ccccc4nc32)c1 508216 PEGVEARJRCXKBJ-UHFFFAOYSA-N 326.359 4.537 0 40 EJAB CSc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CCC3 553794 HGXVRKSYRUMTQT-UHFFFAOYSA-N 329.494 4.649 0 40 EJAB CC(C)C(=O)c1cn(CCOc2ccccc2F)c2ccccc12 560886 DEOKEGKQNPZMQH-UHFFFAOYSA-N 325.383 4.698 0 40 EJAB COc1cccc(C(=O)Nc2nc3c(s2)C[C@@H](C(C)(C)C)CC3)c1 1098892 WRQSFQBHCFIWED-ZDUSSCGKSA-N 344.480 4.555 0 40 EJAB Cc1ccccc1NC(=O)CSc1nc(C2CC2)nc2ccccc12 1332631 HWYHYWCJPKNADE-UHFFFAOYSA-N 349.459 4.546 0 40 EJAB CC1CCN(CCCOc2ccc(Cl)cc2Br)CC1 3247078 JEPORSKVSUFAPU-UHFFFAOYSA-N 346.696 4.603 0 40 EJAB Cc1cccc(C(C)C)c1NC(=O)CN(C)Cc1ccc(Cl)cc1 3540577 WHSWXSJYXDMSDC-UHFFFAOYSA-N 344.886 4.842 0 40 EJAB O=C(Nc1ccc2sccc2c1)c1ccc(Br)cc1 4134729 HGCJDXWGYMBIHY-UHFFFAOYSA-N 332.222 4.916 0 40 EJAB CCCC(CCC)C(=O)Nc1cccc(-c2cn3c(n2)SCC3)c1 4249045 HZHSNXNLBRIIBF-UHFFFAOYSA-N 343.496 4.811 0 40 EJAB O=C(Nc1nonc1-c1ccc(Cl)cc1)c1cccc2ccccc12 5452155 MTLHUFWTMWGRKS-UHFFFAOYSA-N 349.777 4.796 0 40 EJAB O=C(Nc1nc2ccc(F)cc2s1)c1csc2c1CCCC2 6560662 PHHAWIITAUMRRX-UHFFFAOYSA-N 332.425 4.628 0 40 EJAB Cc1ccc(-c2nnc(S[C@@H](C)C(=O)c3ccccc3)o2)cc1C 6609380 GQECLTWTERAVQU-AWEZNQCLSA-N 338.432 4.717 0 40 EJAB CCOc1ccc(NC(=O)c2ccccc2OCc2ccccc2)cc1 6617347 ZNKUOCAONNNZSW-UHFFFAOYSA-N 347.414 4.917 0 40 EJAB COc1cc(C(=O)NC2CCCCCC2)cc(Cl)c1OC(C)C 8039476 MGRRUICXFHLDGB-UHFFFAOYSA-N 339.863 4.588 0 40 EJAB CN(Cc1ccccc1)C(=O)c1ccc(OCc2ccccc2)cc1 8162577 BZCZKTCADXGGOK-UHFFFAOYSA-N 331.415 4.538 0 40 EJAB O=C(Nc1ccc(N2CCCCCC2)cc1)c1cc(F)cc(F)c1 8427996 WHUVMKCMNCFPGX-UHFFFAOYSA-N 330.378 4.598 0 40 EJAB CC[C@H](C)c1ccc([C@H](NC(=O)NCc2ccccn2)C(C)C)cc1 9794758 WSKGJHIHQFFYOU-OXJNMPFZSA-N 339.483 4.792 0 40 EJAB CC(C)(C)c1ccc(OCc2nnc(S)n2C2CCCC2)cc1 11692617 NEVYNMCWXSQDTM-UHFFFAOYSA-N 331.485 4.558 0 40 EJAB Cc1nc(-c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)co1 12948080 SMVIMZOVEKCYIJ-UHFFFAOYSA-N 346.308 4.921 0 40 EJAB O=C(Nc1ccccc1SC(F)F)c1ccc2ccccc2n1 14603303 VCNLXLXMVUSERM-UHFFFAOYSA-N 330.359 4.802 0 40 EJAB S=C(NCc1ccccc1)N[C@H]1CCSc2ccc(Cl)cc21 16703943 BBCUEUKGFXZVSX-HNNXBMFYSA-N 348.924 4.541 0 40 EJAB O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1cc(F)ccc1F 28211046 OXKVDAHMSIQEPV-UHFFFAOYSA-N 335.659 4.889 0 40 EJAB COc1ccc([C@@H](C)NC(=O)Nc2ccccc2C(F)(F)F)cc1 32609781 ZRBDENIUBNTLLM-LLVKDONJSA-N 338.329 4.597 0 40 EJAB CC(C)(C)c1n[nH]c(SCc2csc(-c3cccs3)n2)n1 32883989 KGIDIYDTKGBJFF-UHFFFAOYSA-N 336.511 4.580 0 40 EJAB COc1cccc(CCCc2ccc(Cl)cc2Cl)c1C(=O)O 35973505 JGVFJRIBHKYVAB-UHFFFAOYSA-N 339.218 4.876 0 40 EJAB CC(C)(C)c1ccc(OCC[C@@H]2CCCCN2)c(Br)c1 42770558 XTLHBIPJOKUGMR-AWEZNQCLSA-N 340.305 4.658 0 40 EJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)CCc1ccccc1 44840259 RPQABHXHYOSZPX-KXBFYZLASA-N 345.870 4.635 0 40 EJAB C[C@H](NC(=O)[C@@H](C)Oc1ccc2ccccc2c1)c1ccc(F)cc1 44845565 JHZZMWOWEUPJPF-LSDHHAIUSA-N 337.394 4.624 0 40 EJAB C[C@@H](N[C@@H](c1ccccc1)c1ccoc1)c1nnc(-c2ccccc2)o1 75612312 JITLUYOGWWMRAP-BEFAXECRSA-N 345.402 4.770 0 40 EJAB Cc1oc(-c2ccccc2)nc1CCNCc1c(F)cccc1Cl 78758018 YIIBMZHUDUVFDZ-UHFFFAOYSA-N 344.817 4.775 0 40 EJAB O=C(CCc1cccc(F)c1)N1C[C@@H]2CCCC[C@@]21c1ccccc1 79103439 IDKSESRUUSBINI-SIKLNZKXSA-N 337.438 4.686 0 40 EJAB Cc1cc(C)c(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)c(C)c1 96586389 QQJXLPUQFAVRAT-QGZVFWFLSA-N 337.463 4.897 0 40 EJAB Brc1cccc(NCc2cccc(-c3cccnc3)c2)n1 97162778 TUUUSBYEJDHNFS-UHFFFAOYSA-N 340.224 4.518 0 40 EJAB Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)CNC(C)(C)C)(C4)C2)C3)cc1 100809969 ZDZWYBQALASASL-YUOVDFJASA-N 339.523 4.790 0 40 EJAB CCc1ccc(C2=C[C@@H](c3ccc(Cl)cc3)n3ncnc3N2)cc1 100968145 KQJDXNNAZOPPQF-SFHVURJKSA-N 336.826 4.550 0 40 EJAB CC[C@H](NC(=O)[C@H](C)Oc1ccc(C)c(C)c1)c1ccc(C)cc1C 219520064 YFUUZHAMCDSHDA-RXVVDRJESA-N 339.479 4.955 0 40 EJAB C[C@H](NC(=O)CCc1ccccc1F)c1ccc2c(c1)CCCC2 223002066 GJZHXUONZXRVCX-HNNXBMFYSA-N 325.427 4.515 0 40 EJAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)NC(C)(C)Cc2ccccc2)c1 223573357 ORJHMDBSVKTYQD-GOSISDBHSA-N 339.479 4.517 0 40 EJAB CCCCNC(=O)c1ccc(OCC)c(COc2cccc(C)c2)c1 224380658 MYHXCPTVDPENDL-UHFFFAOYSA-N 341.451 4.503 0 40 EJAB CC(C)(C)c1ccccc1O[C@@H](Cc1ccccc1Cl)C(=O)O 225055983 BBVLAQYIHNIGOH-KRWDZBQOSA-N 332.827 4.712 0 40 EJAB CCN(C(=O)C(F)(F)F)c1ccc2nc(-c3ccc(C)cc3)oc2c1 226283969 NIWRPKFMNBOFTJ-UHFFFAOYSA-N 348.324 4.718 0 40 EJAB Cc1cc(Br)cc(C)c1C(=O)C(Cl)(Cl)Cl 389420546 YPNOLYLLZPZZDB-UHFFFAOYSA-N 330.436 4.619 0 40 EJAB CCCCCOc1ccccc1/C=C1\N=C(c2cccc(C)c2)OC1=O 408977300 WRPNLRCSLBROFD-CYVLTUHYSA-N 349.430 4.909 0 40 EJAB CSc1ccccc1C(=O)N[C@H](C)Cc1csc2ccccc12 575619299 CYZHAXXYTGXFFT-CYBMUJFWSA-N 341.501 4.984 0 40 EJAB C[C@@H](Cc1csc2ccccc12)NC(=O)Nc1c(F)cccc1F 575619943 HDISDWLHMXCJEB-NSHDSACASA-N 346.402 4.932 0 40 EJAB O=C(Nc1cccc2ccccc12)c1ccc(Br)cc1 225730 HRRXXGCANBDDNQ-UHFFFAOYSA-N 326.193 4.855 0 40 EJAB CC[C@H](C)Oc1cccc(C(=O)Nc2ccccc2N2CCCC2)c1 569790 MODJDJBIDNLAFP-INIZCTEOSA-N 338.451 4.716 0 40 EJAB CC1(C)COC(CCCCC(=O)c2ccccc2C(F)(F)F)OC1 2518072 JEVHMRCUUDPEJG-UHFFFAOYSA-N 344.373 4.848 0 40 EJAB COc1cc(NC(c2ccccc2)c2ccccc2)cc(OC)c1OC 3412180 MCVZCGKSQNETKD-UHFFFAOYSA-N 349.430 4.914 0 40 EJAB Cc1ccc2sc(NC(=O)CSc3ccccc3)nc2c1C 4496665 ACHCDMIHNLFFLF-UHFFFAOYSA-N 328.462 4.644 0 40 EJAB Cc1csc2nc(-c3ccc(NC(=O)C4CCCCC4)cc3)cn12 5083774 KNRXNHAMEVJVSO-UHFFFAOYSA-N 339.464 4.890 0 40 EJAB CCc1cccc(CC)c1NC(=S)N(C)Cc1ccccc1C 6549452 VCNFRQRJAVNBPJ-UHFFFAOYSA-N 326.509 4.949 0 40 EJAB Cc1ccc(CN(Cc2ccco2)C(=O)c2ccc(Cl)cc2)o1 6747384 LURDJKWBBCGZNZ-UHFFFAOYSA-N 329.783 4.677 0 40 EJAB COc1ccc(C)cc1NC(=O)Nc1ccc(Cl)cc1Cl 6922579 ORJOBLOMZTTWDY-UHFFFAOYSA-N 325.195 4.954 0 40 EJAB Cc1occc1-c1nnc(SCCCC(=O)c2ccc(F)cc2)o1 7195528 OWEBGNZDEKMBTF-UHFFFAOYSA-N 346.383 4.532 0 40 EJAB CC(C)[C@@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1cccs1 7925015 AZSOFVHMFYSWOF-MRXNPFEDSA-N 341.398 4.823 0 40 EJAB Cc1ccc(NC(=O)N2CCC(CCc3ccc(O)cc3)CC2)cc1 10383184 JSRPHPQUXNIQCB-UHFFFAOYSA-N 338.451 4.577 0 40 EJAB O=C(COc1ccccc1-c1ccccc1)Nc1cc(F)cc(F)c1 11230169 PINLQTYRDFVVSQ-UHFFFAOYSA-N 339.341 4.649 0 40 EJAB COc1ccc(NC(=O)[C@@H](Sc2ccc(F)cc2)C(C)C)cc1 11321741 OTDKHYLROKJRCD-KRWDZBQOSA-N 333.428 4.590 0 40 EJAB O=C(Nc1cccc(Cl)c1)N[C@H](c1ccccc1)c1ccccn1 12557615 LUBZSZUDAADQOH-GOSISDBHSA-N 337.810 4.646 0 40 EJAB Cc1ccc2c(C)c(CCC(=O)Nc3c(C)cccc3C)c(=O)oc2c1 12975000 PIPGIVXQAWMJRQ-UHFFFAOYSA-N 349.430 4.598 0 40 EJAB O=C(CSc1ccc(Cl)cc1)N1CCSc2ccccc21 15275871 XIKWDQGMJOZXEL-UHFFFAOYSA-N 335.881 4.571 0 40 EJAB Cc1nc(-c2ccc(NC(=O)/C=C/c3ccccc3C#N)cc2)cs1 15497770 VJHIXAIQLAEPPS-DHZHZOJOSA-N 345.427 4.642 0 40 EJAB CCc1ccccc1O[C@H](C)C(=O)N[C@H](CC)c1ccc(C)cc1 20105599 FMWKJSADZCCXAU-VQIMIIECSA-N 325.452 4.592 0 40 EJAB Cc1ccccc1C(=O)Nc1cc(-c2ccc(CO)o2)ccc1Cl 20137415 CIUPDSUUQBIJBX-UHFFFAOYSA-N 341.794 4.653 0 40 EJAB CSc1cccc(NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)c1 21381951 NNNRBUPRMZENTA-LBPRGKRZSA-N 335.856 4.776 0 40 EJAB O=C(NCC1CC1)c1sc(-c2ccccc2)nc1-c1ccccc1 22972125 QUSLRYHJHFYITB-UHFFFAOYSA-N 334.444 4.617 0 40 EJAB CC1CCC(NC(=O)c2cccnc2Sc2ccccc2)CC1 36828407 RSUZFQOWGBZQSF-UHFFFAOYSA-N 326.465 4.541 0 40 EJAB COc1ccc([C@H]2CCCN2C(=O)c2cc3ccccc3s2)cc1 40009509 IWJYTFNAFPDCNO-QGZVFWFLSA-N 337.444 4.887 0 40 EJAB C[C@@H](NCc1csc(-c2ccccn2)n1)c1ccccc1Cl 40039180 BVFJSQKVFCRTMZ-GFCCVEGCSA-N 329.856 4.709 0 40 EJAB C[C@@H](NC(=S)NCc1cccs1)c1ccc2ccccc2c1 57765185 OUBVSTUTQYKYNJ-CYBMUJFWSA-N 326.490 4.627 0 40 EJAB O=C(CCc1ccc(F)c(F)c1)N1CCCC[C@H]1Cc1ccccc1 58165960 OERFIFGOILBEIG-SFHVURJKSA-N 343.417 4.521 0 40 EJAB CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@H](C)c1ccc(C)c(C)c1 59351342 LPHLTGFFYNMYPJ-CRAIPNDOSA-N 345.870 4.992 0 40 EJAB CC(C)Sc1ccc([C@@H]2CCCN2C(=O)c2ccccc2)cn1 72217488 SDXYJWQWBRCXMS-KRWDZBQOSA-N 326.465 4.559 0 40 EJAB COc1ccc2oc(-c3cccc(NC(=O)CC(C)C)c3C)nc2c1 72260296 NMWUIYFMVDUQQO-UHFFFAOYSA-N 338.407 4.796 0 40 EJAB COc1cccc(NC(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)c1 80344202 FIUJWLSCJVWIRW-HOTGVXAUSA-N 336.218 4.744 0 40 EJAB Fc1ccc2nc(-c3ccc(-n4ccc(C(F)(F)F)n4)cc3)[nH]c2c1 84419331 NUPDDUPXBVGHDF-UHFFFAOYSA-N 346.287 4.574 0 40 EJAB COC(=O)c1cc2sc(C)c(C)c2n1Cc1ccc(Cl)cc1 85347981 VQUQCRDVEKJHII-UHFFFAOYSA-N 333.840 4.808 0 40 EJAB CC1(C)C[C@@](CC(=O)N2CCCCC2)(c2ccc(Cl)cc2)CCO1 95477301 CMGUPMPTNHKMDU-HXUWFJFHSA-N 349.902 4.569 0 40 EJAB C[C@H](NC(=O)Nc1cccc(C(F)(F)F)c1)[C@@H]1C[C@@H]2CC[C@@H]1C2 101358510 BAQRJTWSAPHMNM-YFCNSXCBSA-N 326.362 4.652 0 40 EJAB Cc1ccccc1C(=O)N1CCS[C@@H](c2ccccc2C)CC1 207003743 BTWCREKBWUAJEK-LJQANCHMSA-N 325.477 4.624 0 40 EJAB CCSc1ccccc1C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 223229513 XDVCZWZUDDAFQU-AWEZNQCLSA-N 325.477 4.778 0 40 EJAB Cc1cc(C)c([C@H](C)NC(=O)[C@H](C)Oc2ccccc2C)cc1C 223463337 XETMVZDTNBVHRZ-ROUUACIJSA-N 325.452 4.565 0 40 EJAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCCSC2CCCC2)c1 224646342 FEIXWLBRBOBGJI-INIZCTEOSA-N 349.540 4.678 0 40 EJAB CCCOc1ccc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1 408558582 RVIXVXQVZMQGSI-GOSISDBHSA-N 347.867 4.907 0 40 EJAB CCc1ccc(-c2csc(NC(=O)c3ccccc3F)n2)cc1 193650 DKZRXMUMMYJNGS-UHFFFAOYSA-N 326.396 4.764 0 40 EJAB CCOc1ccc(NC(=O)COc2ccc([C@H](C)CC)cc2)cc1 505792 VLRAVJGMTOGAKM-OAHLLOKOSA-N 327.424 4.616 0 40 EJAB CCCc1cc(=O)oc2c3c(ccc12)OCN(c1cccc(CC)c1)C3 2159508 MHVGMZPHMHDDDH-UHFFFAOYSA-N 349.430 4.664 0 40 EJAB biogenic O=C(NCc1cccc(C(F)(F)F)c1)C1(c2ccccc2)CCCC1 2512701 OFHFQFJAMMHBQM-UHFFFAOYSA-N 347.380 4.834 0 40 EJAB CC(C)(C)c1csc(NC(=O)c2cc(Cl)cc(Cl)c2)n1 3258079 YIXSBTBGKRVYIQ-UHFFFAOYSA-N 329.252 5.000 0 40 EJAB O=C(NCCc1ccc(Cl)cc1Cl)c1cc2c(s1)CCC2 3327036 PPCGPQHJKDTVRO-UHFFFAOYSA-N 340.275 4.516 0 40 EJAB COc1cccc(NC(=S)N[C@H](C)c2ccc(CC(C)C)cc2)c1 3348736 QIFIFZDOTWJFJU-OAHLLOKOSA-N 342.508 4.941 0 40 EJAB O=C(Nc1c(C(=O)c2ccccc2)oc2ccccc12)c1cccs1 3655318 QTSHHSCPXWUYJJ-UHFFFAOYSA-N 347.395 4.978 0 40 EJAB O=C(O)COc1ccccc1[C@@H]1O[C@H]2CCCC[C@H]2C2=CCCC[C@H]21 4012237 IUZPOFVYQIAPHI-JRYVEOFUSA-N 342.435 4.507 0 40 EJAB CCSc1cccc(C(=O)Nc2nc(-c3ccncc3)cs2)c1 5203596 QVNORYIBUYNYJY-UHFFFAOYSA-N 341.461 4.569 0 40 EJAB COc1ccc([C@@H](CCNCc2ccco2)c2ccc(F)cc2)cc1 5478144 LNTUBGPCAUYINL-NRFANRHFSA-N 339.410 4.739 0 40 EJAB Clc1ccc([C@@H]2[C@@H](NCC3=CCCOC3)[C@@H]3CCCC[C@H]32)cc1 12337882 OEONADRMHBXMJH-ZRNYENFQSA-N 331.887 4.549 0 40 EJAB C[C@H](c1ccccc1)N(C)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3 12795221 PVGHQXFGEJOJJV-OAHLLOKOSA-N 332.447 4.880 0 40 EJAB O=C(Nc1ccc(-c2nccs2)cc1)c1ccc(Cl)cc1F 12982228 CWFGMZPSLCBTOG-UHFFFAOYSA-N 332.787 4.855 0 40 EJAB FC(F)(F)c1cccc(-c2cn[nH]c2[C@H]2CCCN(C3CCC3)C2)c1 19791286 BGEGUGBKWHVXOA-AWEZNQCLSA-N 349.400 4.827 0 40 EJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(F)cc1F 20040072 WBOWOILNTGPAMT-IBGZPJMESA-N 341.357 4.914 0 40 EJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N[C@@H](C)c1ccc(C)cc1 20483876 AXHZDQLVGLBIMR-FXAWDEMLSA-N 325.452 4.647 0 40 EJAB Cc1ccc2nc(NC(=O)c3cc(-c4ccccc4)on3)sc2c1 21524136 XWRTXWSBUBIAMA-UHFFFAOYSA-N 335.388 4.512 0 40 EJAB O=C(NC1CCCC1)c1cccc(OCc2ccccc2Cl)c1 22258292 RPSXTHXSMZXEID-UHFFFAOYSA-N 329.827 4.591 0 40 EJAB Cc1cc(C)cc(CSCC(=O)N[C@H](C)c2ccc(F)cc2)c1 24073706 WRVANYBZJUHTAJ-OAHLLOKOSA-N 331.456 4.553 0 40 EJAB Cc1nc(C(C)(C)C)nc2sc(C(=O)N3CCCCCC3)c(C)c12 25176105 NCBVEGDKKNPEMQ-UHFFFAOYSA-N 345.512 4.622 0 40 EJAB COCc1cccc(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c1 25822871 YGPKVISFYGCCAL-OAHLLOKOSA-N 341.451 4.537 0 40 EJAB Cc1cc([C@H]2CCCN2C(=O)c2cc3c(s2)CCCCCC3)no1 29242109 BNMMGPNOGGNUHH-MRXNPFEDSA-N 344.480 4.681 0 40 EJAB C[C@@H](NC(=O)c1ccccc1Br)c1ccc(Cl)s1 33191543 RKKCITASGGEOKO-MRVPVSSYSA-N 344.661 4.655 0 40 EJAB Cc1ccc([C@@H](NC(=O)COc2ccccc2C)c2ccccc2)cc1 38755730 IGSCCEORCKEATH-QHCPKHFHSA-N 345.442 4.588 0 40 EJAB COc1ccc([C@H](CC(C)C)NC(=O)c2ccccc2Cl)cc1 38756414 QBNWWNYKVSEWEQ-SFHVURJKSA-N 331.843 4.866 0 40 EJAB C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)[C@@H]1CCCc2ccccc21 40058970 ROTNWUTUUCIARW-SUMWQHHRSA-N 329.390 4.604 0 40 EJAB Cc1cc(C)c([C@@H](C)Sc2nnc3cc(C)nc(C)n23)c(C)c1 40157836 OIQOYXRDDGVMJB-CQSZACIVSA-N 326.469 4.520 0 40 EJAB Cc1ccoc1C(=O)N[C@@H](c1ccc(Cl)cc1)c1cccs1 41135460 NOYWBPUUDHIFPA-HNNXBMFYSA-N 331.824 4.822 0 40 EJAB C[C@@H]1C[C@H]1c1ccc(CN(C)Cc2coc(-c3cccc(F)c3)n2)o1 84688947 LCNSCOUFSKTQAA-FZKQIMNGSA-N 340.398 4.829 0 40 EJAB C[C@@H](NCc1cccc(-c2cnn(C)c2)c1)c1cnc2ccsc2c1 90920210 UHLZSDFDDPSLBX-CQSZACIVSA-N 348.475 4.548 0 40 EJAB C[C@]12CO[C@]3(C(=O)Nc4c(Cl)cccc4Cl)C[C@@H]1CC[C@]23C 100983375 MCHMORSMZAVMGJ-XJNVSXGOSA-N 340.250 4.527 0 40 EJAB Cc1csc(C2=C(O)CN(c3cc(Cl)cc(Cl)c3)C2=N)n1 102724190 VAFVCCRYDOMWCA-UHFFFAOYSA-N 340.235 4.525 0 40 EJAB COc1ccc(C(=O)CCc2cccc(Cl)c2Cl)cc1OC 199762522 XJEVCMBMTHGFQQ-UHFFFAOYSA-N 339.218 4.826 0 40 EJAB COc1ccc([C@@H]2CCCCN(C(=O)c3ccc(C)c(C)c3)C2)cc1 208003101 BYXVNZSPGCZIJO-HXUWFJFHSA-N 337.463 4.722 0 40 EJAB CC[C@H](Oc1ccccc1)C(=O)NCCCc1ccc(C(C)C)cc1 222869913 WHSAHBLJXPDKMS-NRFANRHFSA-N 339.479 4.716 0 40 EJAB Fc1ccc(NC(=S)NC2(c3ccccc3)CCCC2)c(F)c1 225857102 BXDHVIQYNWZUTC-UHFFFAOYSA-N 332.419 4.721 0 40 EJAB COc1ccc(Cl)cc1-c1nc(O)c2c3c(sc2n1)CCCC3 408734727 IWLQRYDGVDCRJC-UHFFFAOYSA-N 346.839 4.605 0 40 EJAB Cc1ccccc1NC(=O)NC[C@H](c1ccsc1)c1ccco1 618256226 GMDNGGCPXMLHEY-OAHLLOKOSA-N 326.421 4.603 0 40 EJAB CCCCCCc1ccc(-c2[nH]c(C=O)nc2Br)cc1 1857794880 QCUBFPMXADVPGE-UHFFFAOYSA-N 335.245 4.775 0 40 EJAB Cc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1Br 45928 RXYNEFWEIYWBSS-UHFFFAOYSA-N 338.632 4.972 0 40 EJAB COc1ccc(/C=C/C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cc1 265157 CKKBSMOXOAZUIW-MDWZMJQESA-N 341.410 4.918 0 40 EJAB biogenic O=C(CC(c1ccccc1)c1ccccc1)Nc1cccnc1Cl 365470 HGQABDHOHQDKPK-UHFFFAOYSA-N 336.822 4.896 0 40 EJAB O=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)C(F)(F)F 483316 YXLIBTVSHUHVHL-UHFFFAOYSA-N 341.141 4.618 0 40 EJAB COc1ccccc1[C@H]1Nc2ccc(C)cc2[C@@H](OC(C)=O)C1(C)C 806059 WTDLANROZLFVCV-WOJBJXKFSA-N 339.435 4.801 0 40 EJAB Cc1cc(Cl)ccc1OC(F)(F)C(=O)Nc1c(F)cccc1F 1396707 RYHVVERHODFCHL-UHFFFAOYSA-N 347.695 4.537 0 40 EJAB COc1ccc2c(c1)C=C[C@]1(O2)N(C)c2ccc(Cl)cc2C1(C)C 1402324 NDJGQCKPEFCWIA-HXUWFJFHSA-N 341.838 4.878 0 40 EJAB CC1(C)COC(CCCC(=O)c2ccc(Cl)c(Cl)c2)OC1 2518148 NAMZTPPAGIUFCM-UHFFFAOYSA-N 331.239 4.746 0 40 EJAB COc1cc(C(=O)Nc2ccc(C)c(Cl)c2)ccc1OC(F)F 3548912 JRTKCLHTWGEMID-UHFFFAOYSA-N 341.741 4.511 0 40 EJAB CC(C)NC(=O)[C@H]1CC1(c1ccc(Cl)cc1)c1ccc(Cl)cc1 5486848 BRMBARMQXWOPJX-QGZVFWFLSA-N 348.273 4.824 0 40 EJAB Cc1cc[nH]/c(=N\[C@@H](c2cccs2)c2c(C)[nH]c3ccccc23)c1 6063165 FCEQYQWAOQUKPG-FQEVSTJZSA-N 333.460 4.865 0 40 EJAB CCn1c(SCc2cc(C(C)=O)ccc2OC)nc2ccccc21 6652762 DUJSKOZSRQLUCD-UHFFFAOYSA-N 340.448 4.560 0 40 EJAB c1cncc(-c2nc(NC3CCCC3)c3c4c(sc3n2)CCC4)c1 6786275 ICQCNKKDKITKRC-UHFFFAOYSA-N 336.464 4.597 0 40 EJAB Cc1cc(C)c2oc(-c3cc(NC(=O)c4ccco4)ccc3O)nc2c1 9340148 VXZLTRHKLRYIDH-UHFFFAOYSA-N 348.358 4.663 0 40 EJAB CCOc1ccccc1NC(=O)CNc1ccccc1-c1ccccc1 11618667 AWPCLIFIDLMTIQ-UHFFFAOYSA-N 346.430 4.803 0 40 EJAB O=C(Cc1ccc(Cl)cc1Cl)Nc1ccccc1N1CCCC1 12641916 LZXNBVKJZJOZBU-UHFFFAOYSA-N 349.261 4.775 0 40 EJAB CCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1 16032267 UIBVCUSOVFTHKF-UHFFFAOYSA-N 327.399 4.675 0 40 EJAB Brc1ccc2oc(-c3cnc4ccccc4n3)cc2c1 16545596 BXFPZIOIXMELSY-UHFFFAOYSA-N 325.165 4.806 0 40 EJAB CC[C@@H](NC(=O)CCCOc1ccc(Cl)cc1)c1ccccc1 22511770 GPGAIMRULAGSFS-GOSISDBHSA-N 331.843 4.767 0 40 EJAB CCc1cccc(CC)c1NC(=O)Cc1ccc(-n2cccc2)cc1 24574776 QFLVXTGQHZKLDD-UHFFFAOYSA-N 332.447 4.783 0 40 EJAB Cc1ccc(CNc2nc(C(F)(F)F)nc3ccccc23)cc1F 32853517 AYEUSJRMRUJCHU-UHFFFAOYSA-N 335.304 4.708 0 40 EJAB Cc1cc(-c2nc3ccc(F)cc3s2)cc(Br)c1N 45920024 SWUXJOMBZDLUEX-UHFFFAOYSA-N 337.217 4.756 0 40 EJAB CCCC[C@@]1(CCN[C@H]2CCOC(C)(C)C2)CCOC(C)(C)C1 96116122 QDPMBWGVEAFXML-FXAWDEMLSA-N 325.537 4.689 0 40 EJAB biogenic Cc1cc(=O)oc2c3c(ccc12)OC(=O)C[C@H]3c1ccc(C(C)C)cc1 96221736 AWOIXPBHMYXUGE-KRWDZBQOSA-N 348.398 4.666 0 40 EJAB biogenic Cc1csc(N(C(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)c2ccccc2)n1 102446163 IZFZNCGPWZAIEJ-JYJNAYRXSA-N 326.465 4.943 0 40 EJAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4C[C@@H](C)C(=O)[C@@]4(C)CC[C@@H]32)C1 118915063 KXXNUNSCEDGUDA-NRGSKDIESA-N 346.511 4.776 0 40 EJAB COc1cccc([C@H]2Nc3ccc(C(=O)O)cc3[C@H]3[C@@H]2[C@H]2CC[C@@H]3C2)c1 169679175 GAHFOJIJYCNZSE-WIDRLEPBSA-N 349.430 4.690 0 40 EJAB O=C(Nc1cccs1)N1CCS[C@H](c2ccccc2F)CC1 219139304 LCIXZGKMXWLFAC-AWEZNQCLSA-N 336.457 4.599 0 40 EJAB Cc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)C(C)(C)Br 223238198 QJBSITIDTBQCHK-GFCCVEGCSA-N 338.289 4.787 0 40 EJAB CCCC[C@@H](CC)CNC(=O)C1CCN(Cc2cccc(C)c2)CC1 224528496 ZAWPBJRSXOOYLB-LJQANCHMSA-N 344.543 4.540 0 40 EJAB Cc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)OCC(C)(C)CO2 225359888 DDTXWFWKJBAUCA-UHFFFAOYSA-N 345.826 4.698 0 40 EJAB COc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1C 225516756 BNEJMGQBMLRTLU-UHFFFAOYSA-N 327.399 4.593 0 40 EJAB Cc1cc2nc(-c3ccc[n+](Cc4ccccc4F)c3)oc2cc1C 226307979 JMPSZEJNJZUXCX-UHFFFAOYSA-N 333.386 4.587 0 40 EJAB CCCN(c1ccccc1Sc1ccccc1)[C@H](CC)C(=O)O 260677452 FPHXHAMLCIPETH-MRXNPFEDSA-N 329.465 4.917 0 40 EJAB CCO[C@]1(C(=O)Nc2ccc(O[C@@H](C)CC)cc2)CCC[C@H](C)C1 260812341 AONLKXUKUSKWCL-TWOQFEAHSA-N 333.472 4.788 0 40 EJAB CCCCn1c(C)c(C(=O)OCC)c2cc(O)c3ccccc3c21 2282457 HKLPYZIPIVCGHV-UHFFFAOYSA-N 325.408 4.785 0 40 EJAB CCC(=O)N1c2ccc(Cl)cc2[C@@H]2OCC[C@H]2[C@@H]1c1ccco1 4555188 DKDKVIPKAZQOEX-JBBXEZCESA-N 331.799 4.509 0 40 EJAB CC1=C(C)[C@@H](c2c(C)[nH]c3ccccc23)N(Cc2ccccc2)C1=O 4814137 WVIIRRIRDLUFTM-NRFANRHFSA-N 330.431 4.896 0 40 EJAB COc1ccc([C@](O)(c2ccccc2)c2nccc3ccccc23)cc1 5423273 SJOGTWBIIGPFCI-HSZRJFAPSA-N 341.410 4.528 0 40 EJAB CCCC(=O)c1cn(CC(=O)Nc2cc(C)ccc2C)c2ccccc12 6386407 QKZWIXXYFGHAAE-UHFFFAOYSA-N 348.446 4.880 0 40 EJAB O=C(CCc1ccccc1)NCCc1ccc2oc3ccccc3c2c1 6668494 CEFJRTXZJAOVLA-UHFFFAOYSA-N 343.426 4.878 0 40 EJAB C(=C/c1nc(-c2cccs2)cs1)\c1ccc2c(c1)OCCO2 7141459 SBJYISMJXYQZOI-GQCTYLIASA-N 327.430 4.813 0 40 EJAB O=C(c1ccccc1F)N1CCc2sccc2[C@H]1c1cccs1 7947896 KGUZZUMFFDAPQJ-KRWDZBQOSA-N 343.448 4.737 0 40 EJAB Fc1cccc(-n2ccnc2SCc2nc3ccccc3s2)c1 8483658 LHWNPEAAYHXNMO-UHFFFAOYSA-N 341.436 4.913 0 40 EJAB C[C@@H](c1ccccc1)N1C(=O)c2ccccc2N[C@H]1c1cccc(O)c1 8719563 OUIGPQRSUZBJQS-YCRPNKLZSA-N 344.414 4.720 0 40 EJAB Cc1c(C(=O)Nc2cccc3ncccc23)oc2c1C(=O)CC(C)(C)C2 8991991 KUEHGNJZXAFTGF-UHFFFAOYSA-N 348.402 4.544 0 40 EJAB C[C@H](NC(=O)N[C@H](c1ccc(Cl)cc1)C1CC1)c1ccc(F)cc1 9758007 TXICMUBBFALAJD-SGTLLEGYSA-N 346.833 4.991 0 40 EJAB CCN(CC)Cc1ccc(CNC(=O)c2cccc3ccccc23)cc1 12728998 WMGKOEZNLHQCOI-UHFFFAOYSA-N 346.474 4.612 0 40 EJAB O=C(Nc1cccc(OC(F)(F)F)c1)[C@H]1CCCc2ccccc21 12899968 HOXMLSUXRNVABU-INIZCTEOSA-N 335.325 4.644 0 40 EJAB CCCCOc1ccccc1C(=O)Nc1cccc2ccc(C)nc12 15835305 FYYBHDCFIPACBY-UHFFFAOYSA-N 334.419 4.974 0 40 EJAB COC(=O)c1ccc(N(c2ccccc2)c2cccc(O)c2)s1 16194248 XZPJHSSBAJLXGA-UHFFFAOYSA-N 325.389 4.710 0 40 EJAB CCCCC(=O)Nc1nn(CCCC)c2nc3c(C)cccc3cc12 16956258 BUCKSDVGYGGDIF-UHFFFAOYSA-N 338.455 4.822 0 40 EJAB Cc1ncc(CN[C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2c2ccc(Cl)cc2)cn1 19287280 NGCQAPOEQAJGRR-YRPNKDGESA-N 341.886 4.500 0 40 EJAB Cc1nc(-c2cccs2)c(CCC(=O)N(C)c2ccccc2)s1 19819666 DKMPVWXIENHAEZ-UHFFFAOYSA-N 342.489 4.776 0 40 EJAB CCCCC(=O)Nc1ccccc1-c1nc(-c2cccc(C)c2)no1 21792032 ZCWDHSUGQQHIBG-UHFFFAOYSA-N 335.407 4.841 0 40 EJAB Cc1cc(NC(=O)c2cccc3ncccc23)ccc1Br 22195535 AALYFCZMDKFTBT-UHFFFAOYSA-N 341.208 4.558 0 40 EJAB COc1cc2ccccc2cc1C(=O)NCCc1ccc(C(C)C)cc1 22509880 UQXQEBINPMJATM-UHFFFAOYSA-N 347.458 4.944 0 40 EJAB Cc1cccc(-n2ccnc2S[C@H](C)c2nc(C(C)(C)C)no2)c1 24046739 YTPNNIITLGQOFR-CYBMUJFWSA-N 342.468 4.715 0 40 EJAB CC(=O)c1cc(C(=O)Nc2ccccc2Oc2cccc(C)c2)n(C)c1 25599587 LSXFIAKLFZHZFD-UHFFFAOYSA-N 348.402 4.581 0 40 EJAB CN(Cc1nc2ccccc2s1)Cc1cc(F)cc2cccnc12 25927326 PJGHGHWWYPEIGH-UHFFFAOYSA-N 337.423 4.616 0 40 EJAB C[C@@H](Sc1nccn1-c1ccccc1)C(=O)c1c[nH]c2ccccc12 27487860 OTTCEJGNFBDJQM-CQSZACIVSA-N 347.443 4.717 0 40 EJAB CC(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)c1 36395165 IFAHVFYUZKOGDY-UHFFFAOYSA-N 344.370 4.797 0 40 EJAB Cc1cc(OCC[C@H]2CCCCN2)c(Br)c(C)c1Cl 42770264 LGWDNSSCIPYSBY-GFCCVEGCSA-N 346.696 4.630 0 40 EJAB Cc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1Cl 57412144 KGUMBEMUTLFSEL-UHFFFAOYSA-N 346.217 4.944 0 40 EJAB Cc1ccc2nc(C)c(C(=O)Nc3c(Cl)cccc3Cl)n2c1 71459209 NIQDTYMZGWTTMW-UHFFFAOYSA-N 334.206 4.510 0 40 EJAB O=C(c1ccccc1)N1CCC[C@H]1c1ccc(Oc2ccccc2)nc1 72212147 XAGOTDLAZUKJJO-FQEVSTJZSA-N 344.414 4.851 0 40 EJAB CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1CCC 72214740 NWJDHXBKHNSPHD-KRWDZBQOSA-N 347.503 4.780 0 40 EJAB O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)[C@H]1C[C@@H]2CC[C@@H]1C2 100455672 NWMIBZXECKEBCV-QKCSRTOESA-N 332.856 4.838 0 40 EJAB CCOc1ccc(CNC(=O)c2ccccc2SC(C)C)cc1 113958787 IDKKARRVQHNSSF-UHFFFAOYSA-N 329.465 4.516 0 40 EJAB CCOc1ccc(NC(=O)[C@@H](CC)Oc2ccc(Cl)c(C)c2)cc1 113970645 NXOKXGJEUHONPP-GOSISDBHSA-N 347.842 4.843 0 40 EJAB CC[C@H](NC(=O)/C=C/c1ccc(Cl)cc1)c1ccc(OC)c(C)c1 222731522 CKKRTQIGUUTHDU-NUCSPZLJSA-N 343.854 4.938 0 40 EJAB COc1ccccc1[C@@H](C)NC(=O)CCc1ccc(C(C)(C)C)cc1 223081733 CZCRABVMFVEQAY-MRXNPFEDSA-N 339.479 4.803 0 40 EJAB Cc1ccccc1O[C@@H](C)C(=O)Nc1ccc2c3c(cccc13)CC2 224415379 ZMWCYLCECXLHLS-HNNXBMFYSA-N 331.415 4.653 0 40 EJAB CCCOC(=O)c1ccc(Nc2cc(Cl)cc(Cl)c2)c(N)c1 225428591 NZYGJSZCGJQSAB-UHFFFAOYSA-N 339.222 4.886 0 40 EJAB Cc1cccc(NC(=S)NCCCSCc2ccccc2F)c1 225611256 YKOCBRVTASSRLS-UHFFFAOYSA-N 348.512 4.744 0 40 EJAB CCCO[C@@]1(C(=O)Nc2cc(C)c(OC)c(C)c2)CCC[C@@H](C)C1 225665935 UFQNOWVWKIPTLL-VLIAUNLRSA-N 333.472 4.626 0 40 EJAB CCOC(=O)c1cc(NC(=O)C2(C)CCCC2)ccc1O[C@@H](C)CC 225787812 BSZMEHBZCTWYBB-AWEZNQCLSA-N 347.455 4.559 0 40 EJAB C[C@@H]1CCCCN1c1ccc(NC(=O)c2ccc(Cl)cc2)cc1N 226266533 GNEOATNFFZQIEO-CYBMUJFWSA-N 343.858 4.553 0 40 EJAB O=C(O)c1ccc(COc2ccccc2CNc2ccccc2)cc1 409119389 WMSDDWGGGRKBKC-UHFFFAOYSA-N 333.387 4.576 0 40 EJAB CC[C@H](C)C(=O)c1ccc(Br)cc1OC(F)(F)F 575362586 BIQYZJHYLLCCKD-ZETCQYMHSA-N 325.124 4.577 0 40 EJAB Cc1ccc(NC(=O)c2cc(Cl)cc(C(F)(F)F)c2)cc1N 1565504920 MBZSYSALJZTSCA-UHFFFAOYSA-N 328.721 4.502 0 40 EJAB CCCc1nc2sc3c(SC)ncnc3c2c2c1CCCC2 506991 UWDNVLFSWLMGHW-UHFFFAOYSA-N 329.494 4.793 0 40 EJAB COc1ccc([C@@H]2O[C@@H](c3ccc(OC)cc3)c3ccccc32)cc1 1646372 KOMIRVIRRBZKHM-VXKWHMMOSA-N 332.399 4.913 0 40 EJAB O=C(Nc1cccnc1)c1ccccc1OCc1ccc(Cl)cc1 2635911 VUUNWTYWKRGPDC-UHFFFAOYSA-N 338.794 4.566 0 40 EJAB Cc1ccc(-n2ncc3c(Nc4cccc(Cl)c4)ncnc32)cc1 4354979 IOICNKYYOHGPLI-UHFFFAOYSA-N 335.798 4.521 0 40 EJAB C[C@H]1CCC[C@H](C)N1C[C@@H](C)OC(=O)c1ccc(Cl)cc1Cl 4664857 ZJSORPWYRKFLDQ-RWMBFGLXSA-N 344.282 4.802 0 40 EJAB Cn1c(SCC(=O)c2ccc(C(C)(C)C)cc2)nc2ccccc21 4740833 UTPBALNNXSAZFR-UHFFFAOYSA-N 338.476 4.846 0 40 EJAB CCCc1cc(=O)oc2c3c(ccc12)OCN(c1ccc(CC)cc1)C3 5485051 ANIUDZHFFGSZPY-UHFFFAOYSA-N 349.430 4.664 0 40 EJAB CC(=O)c1ccccc1NC(=O)COc1ccccc1-c1ccccc1 6342713 VONOFYAYZUREMG-UHFFFAOYSA-N 345.398 4.574 0 40 EJAB O=C(Oc1ccc2c(c1)OCO2)c1sc2ccccc2c1Cl 6508575 PAWMZOBIOXGUOD-UHFFFAOYSA-N 332.764 4.503 0 40 EJAB CCCCNCc1cc(Br)ccc1OCc1ccccc1 7261662 FNDPDIKCXQRWAD-UHFFFAOYSA-N 348.284 4.918 0 40 EJAB Cc1ccc([C@H](NC(=O)CCc2ccccc2)c2ccccc2)cc1 7686016 JJPMAURZVTXLIP-HSZRJFAPSA-N 329.443 4.833 0 40 EJAB COc1cc(Cl)c(C)cc1NC(=O)CCn1ccc2ccccc21 8137193 GGOWATHHFWSCFL-UHFFFAOYSA-N 342.826 4.641 0 40 EJAB COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1C 11294494 FYMJRQOVPPUVGV-OQLLNIDSSA-N 340.810 4.511 0 40 EJAB COc1cccc2c(C)cc3nnc(SCc4ccc(C)cc4)n3c12 11903240 WAUHYMCGCDRMGM-UHFFFAOYSA-N 349.459 4.800 0 40 EJAB CCOc1ccccc1NC(=O)CO[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 12930696 AECQSHHHODSJDE-FRQCXROJSA-N 333.472 4.501 0 40 EJAB CCOc1ncccc1C(=O)Nc1c(C(C)C)cccc1C(C)C 14473744 NUCQCGCOXMMVDR-UHFFFAOYSA-N 326.440 4.979 0 40 EJAB CSc1ccc(CN(C)C(=O)Cc2ccc3ccccc3c2)cc1 17972163 OPHUGXXDHKIIDH-UHFFFAOYSA-N 335.472 4.763 0 40 EJAB Cc1cc(-c2nc3ccccc3[nH]2)ccc1NC(=O)c1cccc(F)c1 19945464 RPHJCCWFKHJYSR-UHFFFAOYSA-N 345.377 4.930 0 40 EJAB CCSc1ccccc1NC(=O)[C@H](CC)Oc1cccc(C)c1 20495769 IYNXKIASIJFTRE-KRWDZBQOSA-N 329.465 4.903 0 40 EJAB Cc1ccc2nc(-c3ccc(F)cc3)c(NC(=O)c3ccccc3)n2c1 26964318 RGLQRGZEVXZAKO-UHFFFAOYSA-N 345.377 4.701 0 40 EJAB Cc1noc(C)c1CC(=O)Nc1ccc(SC2CCCC2)cc1 30183375 LXCKCNFFVLSBSV-UHFFFAOYSA-N 330.453 4.507 0 40 EJAB Cc1ccc(NC(=O)c2cc3c(s2)CCCCCC3)c(C)c1O 32810032 MPIMLTRAWULAHY-UHFFFAOYSA-N 329.465 4.982 0 40 EJAB C[C@H]1CCCN(Cc2ccc(C(=O)NCCC3=CCCCC3)cc2)C1 38852451 VIILUWIYFLULNF-SFHVURJKSA-N 340.511 4.539 0 40 EJAB Cc1cc(C)c(NC(=O)NCCSCc2ccccc2)c(C)c1 40023961 SVZYAYBBOQIDOY-UHFFFAOYSA-N 328.481 4.667 0 40 EJAB O=C(Nc1cccc(Cl)c1Cl)N1CCC[C@@H](C(F)(F)F)C1 40097562 HEVCLSUROIJJRA-MRVPVSSYSA-N 341.160 4.800 0 40 EJAB CN(Cc1cccc(Cl)c1)C(=O)Nc1cccc(OC(F)F)c1 40120501 LOJIBPBYEYVHGX-UHFFFAOYSA-N 340.757 4.605 0 40 EJAB CC1(C)C[C@H](NC(=O)Nc2cccc(Cl)c2)c2ccccc2O1 40409948 XLGOWECUGUJUGS-HNNXBMFYSA-N 330.815 4.764 0 40 EJAB CCN(C)c1cccc(NC(=O)COc2cc(C)ccc2C(C)C)c1 58156722 MDWBYMHELFMJIH-UHFFFAOYSA-N 340.467 4.592 0 40 EJAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)N(C)[C@H](C)c1ccccc1 69367209 RTFSWXFWMBEBQZ-MRXNPFEDSA-N 348.450 4.714 0 40 EJAB COc1cc(CN(C)[C@@H]2CCc3c(F)cccc32)ccc1SC 72309399 WNFHMGXMCNUTRP-QGZVFWFLSA-N 331.456 4.676 0 40 EJAB O=C(CCc1ccccc1)N1CCCC[C@H]1c1cc2ccccc2[nH]1 78797165 UGWCLFPUHWWZEN-NRFANRHFSA-N 332.447 4.854 0 40 EJAB COc1ccc(C(=O)c2ccc(Oc3ccccc3)cc2)c(OC)c1 95917318 HJAQTLAICZRUAY-UHFFFAOYSA-N 334.371 4.727 0 40 EJAB O[C@@]1(Cc2ccccc2)CCCC[C@](O)(Cc2ccccc2)CCC1 96509985 UZMMNQWJBZIJIW-ZRZAMGCNSA-N 338.491 4.678 0 40 EJAB CC(C)[C@@H]1CCCCN1C(=O)Nc1cccc(Oc2ccccn2)c1 97164726 WHNNBLSCDPSUES-SFHVURJKSA-N 339.439 4.916 0 40 EJAB Cc1ccc(O[C@H](C)C(=O)N[C@H](CC(C)C)c2ccccc2)cc1C 219515240 ZMJFEKLMOCMNAV-WIYYLYMNSA-N 339.479 4.974 0 40 EJAB CC[C@H](NC(=O)[C@@H](C)Oc1ccc(C)cc1C)c1ccc(C)cc1C 219535337 LCBHSPMJFDIPFT-QUCCMNQESA-N 339.479 4.955 0 40 EJAB CCCNC(=O)c1ccc(OCC)c(CSc2ccc(C)cc2)c1 224658958 AOKBHGDYPFXHHD-UHFFFAOYSA-N 343.492 4.826 0 40 EJAB CCCO[C@H](Cc1cc(Cl)ccc1Oc1ccccc1)C(=O)O 225135151 XMFGIQDSDDZBQM-QGZVFWFLSA-N 334.799 4.555 0 40 EJAB Cc1cccc(CSCCNC(=O)/C=C/c2ccccc2Cl)c1 408907498 PJLRKXRJZVJHQG-MDZDMXLPSA-N 345.895 4.711 0 40 EJAB Cc1ccccc1NC(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1 363587 BDZLGPXZWXAROT-QGZVFWFLSA-N 343.426 4.968 0 40 EJAB COc1cccc2cc(-c3cc(=O)oc4cc5c(cc34)CCC5)oc12 490787 DLRKVVOFDHMEHE-UHFFFAOYSA-N 332.355 4.704 0 40 EJAB biogenic O=C(CCCSc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2 2619466 AMXVWMDKWGMVLE-UHFFFAOYSA-N 349.839 4.580 0 40 EJAB c1ccc(OCCOc2ncnc3scc(-c4ccccc4)c23)cc1 3281205 YASKUODIRBXLAX-UHFFFAOYSA-N 348.427 4.816 0 40 EJAB CCCCOC(=O)c1ccc(NC(=O)[C@H](CC)c2ccccc2)cc1 4155371 CLOQVJHOXVVSGZ-LJQANCHMSA-N 339.435 4.776 0 40 EJAB O=C(Nc1ccc2c(c1)ncn2CCc1ccccc1)c1cccs1 5452186 QOKBKXPCMQFXNT-UHFFFAOYSA-N 347.443 4.593 0 40 EJAB O=C(CCCOc1ccccc1)NC(c1ccccc1)c1ccccc1 5462222 WZUFSIGCYFKMOA-UHFFFAOYSA-N 345.442 4.751 0 40 EJAB O=C(O)c1ccccc1N(c1ccccc1)c1ccccc1C(=O)O 5589708 LNNCMZGYQPGZMJ-UHFFFAOYSA-N 333.343 4.553 0 40 EJAB COC(=O)c1cc2c(-c3ccccc3)nn(-c3ccccc3)c2s1 6482650 DZQQNYINNMWKBX-UHFFFAOYSA-N 334.400 4.541 0 40 EJAB Cc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccncc4)=NN32)cc1 6590529 QMCSZZALGFYYNJ-UNMCSNQZSA-N 341.414 4.632 0 40 EJAB O=C(Nc1ccccc1O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 6884628 LCNOMNZOTXGREB-UHFFFAOYSA-N 347.292 4.923 0 40 EJAB CCOc1ccc(NC(=O)CSCc2cc(C)cc(C)c2)cc1 7208929 FZGZLUCDYWDQAA-UHFFFAOYSA-N 329.465 4.574 0 40 EJAB Clc1ccc([C@@H](Sc2nnnn2C2CC2)c2ccccc2)cc1 8325523 BVHNBQLHZUHCMU-INIZCTEOSA-N 342.855 4.543 0 40 EJAB Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(Br)cc2)c1 10542749 SASCJIXHLZYEFP-ZDUSSCGKSA-N 332.241 4.557 0 40 EJAB Cc1ccc(-c2cc(C(=O)Nc3ccccc3)c3c(C)noc3n2)cc1 10641789 BHGCCYMRJZEDPU-UHFFFAOYSA-N 343.386 4.759 0 40 EJAB CCOc1ccc(NCc2cc3cc(C)c(Cl)cc3[nH]c2=O)cc1 12493129 AFJPTYFIYSHRCH-UHFFFAOYSA-N 342.826 4.501 0 40 EJAB CCC(=O)Nc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 17070825 NPXSZNKKFSGECD-UHFFFAOYSA-N 337.206 4.594 0 40 EJAB O[C@@](CCN1CC2CCC(CC2)C1)(Cc1ccccc1)c1ccccc1 17378373 XDYVJGDBZXTCFA-IWAAJCSBSA-N 349.518 4.629 0 40 EJAB COc1ccccc1NC(=O)[C@H](C)SCc1ccc(Cl)cc1 20979009 RCQCYYSWNGJDGF-LBPRGKRZSA-N 335.856 4.609 0 40 EJAB O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cc2c(F)cccc2s1 22882731 XVRQWKPENVCZLD-NXEZZACHSA-N 345.361 4.891 0 40 EJAB CN(Cc1ccc(F)cc1F)C(=O)c1ccc(-c2ccccc2)cc1 22895568 QJKIQWSFMXMZLM-UHFFFAOYSA-N 337.369 4.904 0 40 EJAB Cc1nc(-c2ccccc2)ccc1C(=O)N1CCC[C@@H]2CCCC[C@@H]21 24884455 WGNZALMLOFEMRF-RXVVDRJESA-N 334.463 4.852 0 40 EJAB Cc1nn(Cc2ccccc2)c(C)c1NC(=O)CCC1CCCCC1 27921330 ZEZMUTWFZYOFNR-UHFFFAOYSA-N 339.483 4.847 0 40 EJAB CC(C)c1ccc(OC[C@H](C)NC(=O)c2cccc(Cl)c2)cc1 28293375 VJWMGQJGWSAKGD-AWEZNQCLSA-N 331.843 4.661 0 40 EJAB CCCCC[C@@H](C)NC(=O)Cc1csc(-c2cccc(F)c2)n1 29432260 NVOCKRGNCORKAK-CYBMUJFWSA-N 334.460 4.577 0 40 EJAB O=C(NCCSC1CCCC1)Nc1ccc(OC2CCCC2)cc1 58087160 WIQFZUISBXAJLC-UHFFFAOYSA-N 348.512 4.805 0 40 EJAB CC(C)(C)OC(=O)N(c1ccc([C@H]2CCCN2)cn1)C1CCCCC1 72215665 XQBZJSBTORZDOI-QGZVFWFLSA-N 345.487 4.580 0 40 EJAB Cc1oc(-c2ccsc2)nc1Cn1ccc(-c2ccc(F)cc2)n1 78467644 PFXFBHBBZNDKTO-UHFFFAOYSA-N 339.395 4.762 0 40 EJAB Cc1nc(CN[C@@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)no1 86202485 XUMZIONZSJLPHG-KRWDZBQOSA-N 348.233 4.564 0 40 EJAB Cc1cc([C@@H](NCc2ccc([S@](C)=O)cc2)C(C)C)c(C)s1 95409648 QYBANGOGCTVYKS-PGRDOPGGSA-N 335.538 4.589 0 40 EJAB O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(F)c(F)c1F 95535199 LTEWGZCIZHNBGA-UHFFFAOYSA-N 334.219 4.767 0 40 EJAB CC1(C)[C@]2(C)CC[C@]1(C(=O)Oc1ccc(Cl)cc1Cl)CC2=O 100936357 NKXQNZLZVJYFOR-IAGOWNOFSA-N 341.234 4.684 0 40 EJAB CC[C@@H](NC(=O)CCc1ccc(OC)c(C)c1)c1ccc(C)cc1 224059462 NHHCAWULAKECMB-LJQANCHMSA-N 325.452 4.512 0 40 EJAB CCCCc1ccc(NC(=O)c2ccc(OC)c(COCC)c2)cc1 224408152 PRGSSVVSRDJRDA-UHFFFAOYSA-N 341.451 4.827 0 40 EJAB COc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1COC(C)C 224430822 LNMFQFCUGFXESO-UHFFFAOYSA-N 341.451 4.798 0 40 EJAB Cc1ccc(Cc2ccc(C(=O)O)n2Cc2ccc(Cl)cc2)cc1 226030010 KCWCTEKNACSZKM-UHFFFAOYSA-N 339.822 4.787 0 40 EJAB C[C@H](Cc1cc2ccccc2o1)NC(=O)Cc1c(F)cccc1Cl 253471449 CQICSIGQDZPQDI-GFCCVEGCSA-N 345.801 4.515 0 40 EJAB CC1(C)CCCC[C@H]1NCc1csc(-c2ccc(C(=O)O)cc2)n1 565101216 BQNRABHNWASSOP-MRXNPFEDSA-N 344.480 4.567 0 40 EJAB CSCc1c(C(=O)N2CCCC3(CC2)CC3)oc2ccccc12 600768465 HBHSRBYPJNBLQO-UHFFFAOYSA-N 329.465 4.702 0 40 EJAB O=C(NCc1ccc(Cl)cc1)NCc1cc(-c2ccco2)cs1 1775968369 DFQBKOYJCJESCR-UHFFFAOYSA-N 346.839 4.661 0 40 EJAB O=C(Nc1cc(Cl)ccc1N1CCCCC1)c1ccc(F)cc1 1404157 PVFKUJRJTZCUOO-UHFFFAOYSA-N 332.806 4.722 0 40 EJAB COc1cccc(-c2nc(-c3[nH]c(C)c(C(C)=O)c3C)cs2)c1 3325947 IPUXDNDTMYTGPJ-UHFFFAOYSA-N 326.421 4.633 0 40 EJAB CC(C)CCC[C@@H](C)NC[C@H](O)COc1cc(Cl)ccc1Cl 3418374 ODGZLHOIZGXATR-HIFRSBDPSA-N 348.314 4.538 0 40 EJAB Fc1ccc2nc(Nc3nc(-c4ccncc4)cs3)sc2c1 4061298 BMYJGIRPBPVPJW-UHFFFAOYSA-N 328.397 4.698 0 40 EJAB COc1ccc(-c2ccc(CNCc3cccs3)o2)cc1Cl 4942944 YCLUJBRENSBBJO-UHFFFAOYSA-N 333.840 4.960 0 40 EJAB O=C(Nc1ccc2c(c1)OCO2)C1(c2ccc(Cl)cc2)CCCC1 6941668 KVWZPRAZJNPHRN-UHFFFAOYSA-N 343.810 4.519 0 40 EJAB COc1ccc(SCC(=O)Nc2c(C)cc(C)cc2Cl)cc1 7790918 NOCLOMFQPIVYHC-UHFFFAOYSA-N 335.856 4.696 0 40 EJAB CC(C)c1ccccc1NC(=O)CN(C)[C@@H]1CCCc2ccccc21 8126572 QDWOPAICAFGVPC-OAQYLSRUSA-N 336.479 4.758 0 40 EJAB CC(C)(C)c1ccc(C(=O)Nc2ccnn2Cc2cccs2)cc1 9447744 KYRMHYOTTXIIHU-UHFFFAOYSA-N 339.464 4.543 0 40 EJAB CCc1ccc(C(=O)NCc2ccc(-c3csc(C)n3)cc2)cc1 12614461 AHDHAHDRMAHPJW-UHFFFAOYSA-N 336.460 4.611 0 40 EJAB Cc1nc(-c2cccs2)sc1C(=O)N[C@H](C)c1ccccc1 12931840 GGEGZUQSLWCTHG-LLVKDONJSA-N 328.462 4.671 0 40 EJAB O=C(Nc1ccc(F)cc1)N[C@@H]1CCSc2ccc(Cl)cc21 12987215 LPFYMQLGHDVMKZ-CQSZACIVSA-N 336.819 4.838 0 40 EJAB Clc1ccc(C[n+]2cc(-c3ccccc3)n3c2CCC3)cc1Cl 17208333 NZVLSSIWZHHVBR-UHFFFAOYSA-N 344.265 4.744 0 40 EJAB CC(C)CCOc1ccc(C(=O)Nc2ccc(Cl)c(N)c2)cc1 19736519 DUQRDIIRFOWCQV-UHFFFAOYSA-N 332.831 4.599 0 40 EJAB COc1ccc(O[C@H](C)CNc2ccc(OCCC(C)C)cc2)cc1 19738206 SIZBGFPDACXBFK-QGZVFWFLSA-N 343.467 5.000 0 40 EJAB CC[C@H](Oc1ccccc1)C(=O)Nc1ccccc1SC(F)F 24038809 NPCKSCRACSESEM-AWEZNQCLSA-N 337.391 4.797 0 40 EJAB CCOc1ccc(/C=C/C(=O)Nc2nc3c(C)cccc3s2)cc1 28048221 YECNIOZLLGXNDN-FMIVXFBMSA-N 338.432 4.655 0 40 EJAB O=C(c1ccc(F)cc1F)N(Cc1ccccc1)Cc1ccccc1 28210711 NZDWEQINYAPNTK-UHFFFAOYSA-N 337.369 4.807 0 40 EJAB CC(C)OCc1ccccc1CNC(=O)c1cccc2ccccc12 31340815 ZNVODGZRXSCKCY-UHFFFAOYSA-N 333.431 4.695 0 40 EJAB COc1ccc([C@@H]2CCCN2C(=O)CCC2CCCCC2)cc1OC 40042748 YFAHCGADUMCRCK-SFHVURJKSA-N 345.483 4.728 0 40 EJAB C[C@H](NC(=O)C(C)(C)C)c1ccc(NC(=O)Nc2ccccc2)cc1 47255530 VZSOPFGZNWYZIP-AWEZNQCLSA-N 339.439 4.554 0 40 EJAB Cc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccccc2Cl)cc1C 59351240 HGJFFJNSBOWECP-GJZGRUSLSA-N 331.843 4.602 0 40 EJAB CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1 64982239 LOAUXOBINDLWMM-CQSZACIVSA-N 331.843 4.925 0 40 EJAB O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccc(F)nc1 78712235 OHMASVQWFFUETA-UHFFFAOYSA-N 349.390 4.750 0 40 EJAB Cc1ccc(-c2c(NC(=O)c3ccco3)oc3ccccc3c2=O)cc1 101342021 FOHVUOAQUAIUSY-UHFFFAOYSA-N 345.354 4.614 0 40 EJAB COc1ccccc1CNC(=O)c1cc2c(ccc3ccccc32)o1 113941402 BBQUIIBWIRIYRG-UHFFFAOYSA-N 331.371 4.525 0 40 EJAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2c1c[nH]cn1 118926932 BBUJYEQSYYZBDG-GIPCDWCDSA-N 340.511 4.817 0 40 EJAB O=C(O)c1cccnc1Nc1cc(Cl)ccc1Oc1ccccc1 223177601 HTZWWUHVLRXCCV-UHFFFAOYSA-N 340.766 4.969 0 40 EJAB C[C@H](Oc1ccc2ccccc2c1)C(=O)NC[C@@H](C)c1ccccc1 224284861 NKILOYMNVIZFNB-SJORKVTESA-N 333.431 4.527 0 40 EJAB CC(C)Oc1cccc(NC(=S)NCc2ccccc2Cl)c1 225372412 ZPJJHFKHHLTPQD-UHFFFAOYSA-N 334.872 4.614 0 40 EJAB O=C(NCCSCc1c(Cl)cccc1Cl)C1CCCC1 225403091 WDIKYMFCAASWSA-UHFFFAOYSA-N 332.296 4.533 0 40 EJAB Cc1cccc(CSCCCNC(=S)Nc2ccccc2)c1 225602554 FJDDWAWDDHZZMP-UHFFFAOYSA-N 330.522 4.605 0 40 EJAB CCO[C@]1(C(=O)Nc2ccc(OC3CCCC3)cc2)CCC[C@@H](C)C1 225713354 IVGVRMKGBFBNJK-IIBYNOLFSA-N 345.483 4.932 0 40 EJAB Cc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2sccc2C)S1 408811618 RIQZSDBGBCCVQL-UHFFFAOYSA-N 349.888 4.781 0 40 EJAB CC(C)N1C(=O)S/C(=C\c2ccc(-c3cccc(F)c3)o2)C1=O 409015789 BFMGLXIEVZOTSS-DHDCSXOGSA-N 331.368 4.530 0 40 EJAB O=C(NCc1ccc(-c2ccoc2)o1)NCc1cccc2ccccc12 575609314 ATIJFYRICLTWMQ-UHFFFAOYSA-N 346.386 4.692 0 40 EJAB O=C(Nc1ccc2c[nH]nc2c1)C1(Cc2cccs2)CCCCC1 1540706344 MLLIQJKWXPRAFL-UHFFFAOYSA-N 339.464 4.756 0 40 EJAB Cc1ccc(C(=O)N2CC(Cc3ccc(Cl)cc3)C2)cc1Cl 1566181943 SYSQJIFMUFKCHN-UHFFFAOYSA-N 334.246 4.617 0 40 EJAB CCCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1 2714089 LCTCJOBCSAPDKS-UHFFFAOYSA-N 328.419 4.909 0 40 EJAB CCCCCCNC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1 3096906 ODOWJENCESXEFZ-UHFFFAOYSA-N 338.451 4.557 0 40 EJAB CC(C)c1ccc(C(=O)Nc2nnc(-c3cccs3)s2)cc1 4695008 UKVYBQZHOCNNNE-UHFFFAOYSA-N 329.450 4.642 0 40 EJAB CCCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccco1)C2 4912820 HDXCGSWSNVXPSO-CQSZACIVSA-N 343.423 4.566 0 40 EJAB Cc1cc(Br)ccc1NC(=S)Nc1ccc(F)cc1 6044140 AMWBUYDNDDRXQL-UHFFFAOYSA-N 339.233 4.706 0 40 EJAB CCCc1cc(-c2nc(-c3cc4ccccc4oc3=O)cs2)ccn1 6758732 QCAZMRQFVJVNDN-UHFFFAOYSA-N 348.427 4.931 0 40 EJAB O=C(CCC1CCCC1)N1CCC[C@@H](c2nc3ccccc3s2)C1 8104938 LSBULDQBDSEEDH-MRXNPFEDSA-N 342.508 4.973 0 40 EJAB C[C@@H]1C[C@@H](C)CN(C(=S)Nc2ccc(SC(F)F)cc2)C1 8692225 VFQMVPUYWSZTNA-GHMZBOCLSA-N 330.469 4.676 0 40 EJAB O=C(NCc1coc(-c2cccs2)n1)Nc1cccc2ccccc12 11007769 TXPFIIQFSGOABZ-UHFFFAOYSA-N 349.415 4.878 0 40 EJAB O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1ccc(Cl)cc1Cl 12435603 BKGINDLDJQKFBM-UHFFFAOYSA-N 349.217 4.594 0 40 EJAB C[C@@H](c1ccco1)N(C(=O)c1cc2ccccc2o1)c1ccccn1 12527940 NQYPICDORLAIIK-AWEZNQCLSA-N 332.359 4.829 0 40 EJAB CC(C)c1ncc(CN[C@H]2[C@H]3CCCC[C@H]3[C@@H]2c2ccccc2)cn1 19454170 KWOGUJMPTNNLDT-ANULTFPQSA-N 335.495 4.662 0 40 EJAB CCOc1cc2c(cc1OCC)[C@H](c1ccc(C(C)C)cc1)NCC2 20506922 ZESXVLFZJSACQA-QFIPXVFZSA-N 339.479 4.843 0 40 EJAB C[C@@H](NC(=O)c1cccc2ncccc12)c1ccc(C(F)(F)F)cc1 30114824 KMGPWROYYNTSML-GFCCVEGCSA-N 344.336 4.745 0 40 EJAB CCc1cccc2c(C3=CCN(C(=O)[C@H]4CC=CCC4)CC3)c[nH]c12 32754305 NSWNIEYTTADVNN-SFHVURJKSA-N 334.463 4.702 0 40 EJAB O=C(Nc1cccnc1Oc1ccccc1)c1ccc(Cl)cc1F 32832676 YAUGJXGQLRAEKJ-UHFFFAOYSA-N 342.757 4.919 0 40 EJAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccc(C)c3ncccc23)c1 41157028 VMZFTOFGTZCSTM-INIZCTEOSA-N 334.419 4.566 0 40 EJAB FC(F)(F)c1cnc(SCc2nnsc2Cl)c(Cl)c1 48397355 WDWLMHJVNFXDFG-UHFFFAOYSA-N 346.186 4.551 0 40 EJAB CCOC(=O)/C=C/c1ccc(-c2ccc(Br)cc2C)o1 57353765 ZTVOOJGLAWDAEE-RMKNXTFCSA-N 335.197 4.594 0 40 EJAB Cc1ccc2c(CN3CC=C(c4ccccc4)CC3)cc(=O)oc2c1C 58158767 MRMOXRHPRLBWFV-UHFFFAOYSA-N 345.442 4.699 0 40 EJAB CCCC(=O)Nc1ccc(-c2nc3cc(Cl)ccc3o2)c(O)c1 70462063 BEMUEEUNTHAVON-UHFFFAOYSA-N 330.771 4.592 0 40 EJAB CC(C)(C)[C@@H](NC(=O)N1CCc2sccc2C1)c1cccs1 80042513 BYLJKPOUZVNXQM-HNNXBMFYSA-N 334.510 4.665 0 40 EJAB C[C@H]1c2ccsc2CCN1C(=O)NCc1csc2ccccc12 84718218 MSAKEPQBVWQDIS-LBPRGKRZSA-N 342.489 4.792 0 40 EJAB CN(Cc1cc(-c2ccco2)on1)Cc1cccc(Cl)c1Cl 95465852 OHRRADUEQUVFKE-UHFFFAOYSA-N 337.206 4.873 0 40 EJAB CC[C@H](c1ccc(F)cc1)[S@@](=O)Cc1coc(-c2cccs2)n1 95960696 GZPHALFMLJHRQL-WAIKUNEKSA-N 349.452 4.942 0 40 EJAB Cc1cccc(C(=O)N2N=C(c3ccco3)C[C@H]2c2cccc(C)c2)c1 97165200 JENRKARROLJRBH-FQEVSTJZSA-N 344.414 4.888 0 40 EJAB Cc1cc(O[C@H](C)C(=O)NC(C(C)C)C(C)C)cc(C)c1Cl 113942942 SJAHWCMQZQWBNO-CQSZACIVSA-N 325.880 4.521 0 40 EJAB CC[C@H](C(=O)c1ccc(OCCN2CCCC2)cc1)c1ccccc1 204558289 JGRFUEFYAPDMBT-NRFANRHFSA-N 337.463 4.538 0 40 EJAB Cc1cccc(CCCNC(=S)Nc2ccc(OC(C)C)cc2)c1 225393448 VEWDDCRWFOBGPA-UHFFFAOYSA-N 342.508 4.701 0 40 EJAB COc1cc(C)c(C(=O)NCCSC2CCCCC2)cc1C(C)C 225658718 RPHNDSFONOMOOS-UHFFFAOYSA-N 349.540 4.923 0 40 EJAB CCCCOc1ccc(NC(=O)C2(OCC)CCCCCC2)c(C)n1 225899549 OSJHGVIPAZWQCS-UHFFFAOYSA-N 348.487 4.637 0 40 EJAB Cc1cccc(CSCCNC(=O)[C@@H](C)Sc2ccccc2)c1 408925266 LPIUYJXCEUBSPW-MRXNPFEDSA-N 345.533 4.525 0 40 EJAB C[C@@H](c1nc2ccccc2s1)N(C)Cc1cccc(O)c1Cl 507021912 LPCNHSJRBDUUIC-NSHDSACASA-N 332.856 4.848 0 40 EJAB C[C@@H]1CN=C(N(C(=O)Nc2ccccc2)c2ccc(Cl)cc2)S1 161687 RYQPBCMRVXIOPP-GFCCVEGCSA-N 345.855 4.870 0 40 EJAB O=C(Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1)c1cccnc1 556098 XSOVXIRKHBBIIK-UHFFFAOYSA-N 349.777 4.796 0 40 EJAB O=C1c2ccsc2SCCN1Cc1cccc(C(F)(F)F)c1 1402076 QUUYNGMZUORYIB-UHFFFAOYSA-N 343.395 4.515 0 40 EJAB O=C(/C=C/c1ccco1)NCCC(c1ccccc1)c1ccccc1 1466455 LTUJOGBVEMMKND-BUHFOSPRSA-N 331.415 4.631 0 40 EJAB O=C(c1cccc(CN2CC=CC2)c1)c1ccc(Cl)cc1Cl 2515416 RSBBFRCXJBLGDW-UHFFFAOYSA-N 332.230 4.596 0 40 EJAB CC(=O)O[C@]1(c2ccccc2)C[C@H](C(C)(C)C)CN(C(C)(C)C)C1 4188287 XENZICQEFWMILM-GHTZIAJQSA-N 331.500 4.612 0 40 EJAB CCc1ccc(Cl)c(CC)c1NC(=O)c1cccc(N(C)C)c1 4900894 IPVQUTDVBRPWHC-UHFFFAOYSA-N 330.859 4.783 0 40 EJAB Cc1noc(C)c1COc1ccc2ccccc2c1Br 6646637 XXMCBZVCYTTZOD-UHFFFAOYSA-N 332.197 4.786 0 40 EJAB COc1cccc(NC(=S)NC(c2ccccc2)c2ccccc2)c1 7517990 ZZLUIURBLTXCKL-UHFFFAOYSA-N 348.471 4.771 0 40 EJAB O=C(Cc1csc(-c2ccsc2)n1)Nc1ccc2c(c1)CCC2 7808183 JPLTZIZCSPXNSD-UHFFFAOYSA-N 340.473 4.542 0 40 EJAB C[C@@H](NC(=O)c1ccc(-c2ccc(Cl)cc2)s1)c1cccnc1 7987415 NUDSFWPBIBNVMI-GFCCVEGCSA-N 342.851 4.955 0 40 EJAB Cc1ccc(-c2nc(C)sc2CC(=O)NCC2CCCCC2)cc1 9495280 XIVUVTBDMHMZRR-UHFFFAOYSA-N 342.508 4.666 0 40 EJAB COc1ccc(N(C(=O)Nc2ccccc2)C2=NCCC2)cc1Cl 10165953 SDJOBHOVEHPEAH-UHFFFAOYSA-N 343.814 4.579 0 40 EJAB C[C@H]1Cc2ccccc2N1C(=O)CSCc1ccccc1Cl 10449643 LSWLMQWGGCYHFE-ZDUSSCGKSA-N 331.868 4.551 0 40 EJAB C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc2ccccc2c1 10670600 FIAILSDLLSACFH-CYBMUJFWSA-N 325.795 4.899 0 40 EJAB Cc1ccc(C(C)C)c(OCC(=O)Nc2cccc(OC(C)C)c2)c1 10715451 RUHVVOIMUSDJHW-UHFFFAOYSA-N 341.451 4.923 0 40 EJAB C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)N(C)Cc1ccsc1 11438353 PXSRZGGOOKIBRH-AWEZNQCLSA-N 330.497 4.505 0 40 EJAB CCC[C@@H](C)NC(=O)c1ccc(OCc2ccccc2Cl)cc1 13687747 NBYQRPWTEKRRGD-CQSZACIVSA-N 331.843 4.837 0 40 EJAB OC12C[C@H]3C[C@@H](C1)CC(NCc1ccc(-c4ccccc4)cc1)(C3)C2 13728857 ZQLOCCGROXLTIO-MGAZVUHYSA-N 333.475 4.527 0 40 EJAB Cc1ccc(-n2ncc3c(Nc4cccc(Cl)c4)ncnc32)cc1C 17120463 JIMJSSCKCHZCRJ-UHFFFAOYSA-N 349.825 4.829 0 40 EJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(F)c(F)c1 20050160 YRHYDSCJKYMSNM-IBGZPJMESA-N 341.357 4.914 0 40 EJAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(OC(C)C)cc1 20488580 WDLQAGIUMPDHKV-KRWDZBQOSA-N 347.842 4.923 0 40 EJAB O=C(Nc1nc(-c2ccccc2)c2cc(F)ccc2n1)c1ccccc1 20636331 JQVADXIEHFIAKK-UHFFFAOYSA-N 343.361 4.688 0 40 EJAB Cc1ccccc1NC(=O)Cc1nc(-c2c[nH]c3ccccc23)cs1 24033906 WUQIXVRUEFEYOK-UHFFFAOYSA-N 347.443 4.781 0 40 EJAB CCc1ccccc1O[C@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1 30758590 LHZMASSOFDGZCG-LLVKDONJSA-N 338.234 4.962 0 40 EJAB Clc1ccc(-c2nnc(CN3CCC[C@@H]3c3ccsc3)o2)cc1 52803276 YHWCFVCZAGOMCN-OAHLLOKOSA-N 345.855 4.789 0 40 EJAB CN(C(=O)CNc1ccccc1Sc1ccccc1)c1ccccc1 57815886 RXNNHTMFKNXXTB-UHFFFAOYSA-N 348.471 4.913 0 40 EJAB Cc1cccc(C)c1-n1nnnc1CSc1ccc2ccccc2c1 58425371 BMYWKBPXLYZTJB-UHFFFAOYSA-N 346.459 4.725 0 40 EJAB Cc1ccc(COc2ccc(CNc3cccc(C(=O)O)c3)cc2)cc1 76275932 DFFIGFNTVNOLHR-UHFFFAOYSA-N 347.414 4.884 0 40 EJAB C[C@@H](c1ccccn1)N(C(=O)c1ccc(-c2cscn2)cc1)C1CC1 95410102 RWKLMCZFEVXPEV-AWEZNQCLSA-N 349.459 4.571 0 40 EJAB CC(C)C[C@@H](NC(=O)COc1cccc(Cl)c1)c1ccccc1 222769566 AYKMXOSERSEZQZ-GOSISDBHSA-N 331.843 4.622 0 40 EJAB Cc1ccc(C)c(C[C@H](Oc2ccccc2C(C)(C)C)C(=O)O)c1 225028180 KUMCSSCRLNNLHZ-IBGZPJMESA-N 326.436 4.676 0 40 EJAB Cc1ccc(NC(=S)N[C@H]2CC(C)(C)Oc3ccccc32)c(C)c1 225574973 KQMVROHIFGHYAK-KRWDZBQOSA-N 340.492 4.892 0 40 EJAB Cc1ccc(SCCCNC(=S)Nc2cccc(C)c2)cc1 225586296 RXIICDCEALSQIO-UHFFFAOYSA-N 330.522 4.772 0 40 EJAB CC(C)(C)c1ccc(/C=C/C(=O)NCCSC2CCCC2)cc1 225756004 DIWNEFARHBZVFO-JLHYYAGUSA-N 331.525 4.789 0 40 EJAB Cc1ccccc1Nc1nc([C@@]2(C)C[C@@H](C(C)C)C(=O)O2)cs1 84463 HJRFTQTZRBOHPC-SCLBCKFNSA-N 330.453 4.629 0 40 EJAB CC(C)c1nnc(NC(=O)/C=C/c2c(Cl)cccc2Cl)s1 147118 WINYZQILYWRRHN-VOTSOKGWSA-N 342.251 4.620 0 40 EJAB CC(C)CN1C(=O)N(c2cccc3ccccc23)[C@](C)(O)CC1(C)C 262607 CEUXGJHIPQYBHM-OAQYLSRUSA-N 340.467 4.615 0 40 EJAB CCN(CC)C[C@H](O)c1ccc(/C=C/c2ccc(Cl)cc2)cc1 1628145 COKMQJYIYARAML-XJDXJNMNSA-N 329.871 4.886 0 40 EJAB C[C@H](Oc1ccc(Cl)cc1)c1ccnn1C(=O)Nc1ccccc1 3017459 LOKWBQKIAJEWGQ-ZDUSSCGKSA-N 341.798 4.757 0 40 EJAB COc1cc2c(cc1OCc1ccccc1)[C@H](CC(C)C)N(C)CC2 3848589 RZFYKKKRSXBCHL-FQEVSTJZSA-N 339.479 4.849 0 40 EJAB biogenic C[C@H]1CCC[C@@H](C)N1C[C@@H](C)OC(=O)c1ccc(C(C)(C)C)cc1 3904908 WNBGEAYOJFECOY-IXDOHACOSA-N 331.500 4.792 0 40 EJAB CN(Cc1ccccc1F)C(=O)COc1ccccc1-c1ccccc1 5704421 MMGPRSDDPNPTJT-UHFFFAOYSA-N 349.405 4.530 0 40 EJAB Cc1ccccc1-c1cc(C(=O)N2CCCCC2)c2ccccc2n1 6319189 UMHSAJNESBPUKR-UHFFFAOYSA-N 330.431 4.836 0 40 EJAB COC(=O)c1sc(-c2ccccc2)cc1NC(=O)C1CCCCC1 6440939 ZXRZTPOEVUIVGC-UHFFFAOYSA-N 343.448 4.721 0 40 EJAB C[C@@H]1CSC(N(C(=O)[C@H]2CC=CCC2)c2ccc(Cl)cc2)=N1 6880393 DGZBAAFPOXFBTQ-OLZOCXBDSA-N 334.872 4.521 0 40 EJAB COc1ccc(C)cc1CSc1nnc(-c2cccc(C)c2)o1 7834397 SQVSJSRKJYBCLD-UHFFFAOYSA-N 326.421 4.654 0 40 EJAB O=C1c2ccccc2N[C@H](c2cccnc2)N1c1ccc(Cl)cc1 7884580 NQTKEWOSKCTMEA-SFHVURJKSA-N 335.794 4.506 0 40 EJAB O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1cccc(F)c1 11565747 DITLWGIWYDXJSZ-FQEVSTJZSA-N 334.346 4.607 0 40 EJAB Cc1ccccc1[C@@H](Sc1nnc2ccccn12)c1ccccc1 12853945 CRXGVCGKKNVRLG-IBGZPJMESA-N 331.444 4.919 0 40 EJAB CCc1ccc(NC(=S)N2c3ccc(F)cc3CC[C@@H]2C)cc1 13829553 HNPGLULAIFBYCG-ZDUSSCGKSA-N 328.456 4.926 0 40 EJAB COc1cccc(NC(=O)COc2ccc(C3CCCCC3)cc2)c1 14258170 FEEOQCAQKPGNNB-UHFFFAOYSA-N 339.435 4.760 0 40 EJAB Oc1cccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c1 15016866 BOURZNRLAYPTDH-FXAWDEMLSA-N 348.427 4.696 0 40 EJAB CCOC(=O)/C(=C\c1ccc(Cl)cc1)P(=O)(OCC)OCC 16957399 APOMKMWGLHQUGW-SDNWHVSQSA-N 346.747 4.510 0 40 EJAB Clc1ccc(-c2cn(Cc3cccc(Cl)c3)c3[n+]2CCC3)cc1 17015130 AEQPYWIYUWJLGZ-UHFFFAOYSA-N 344.265 4.744 0 40 EJAB CC1C[C@H](C)N(C(=O)c2cc(-c3ccccc3Cl)on2)[C@H](C)C1 17837699 QXIMEZAZZVAQHP-YHWZYXNKSA-N 332.831 4.644 0 40 EJAB COc1ccccc1NC(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1 18175486 ODIAFOYXLOHYHZ-NSHDSACASA-N 338.329 4.597 0 40 EJAB CN(Cc1ccccc1N1CCCC1)C(=O)c1ccc2ccccc2c1 24190870 YRWTYJXVWFNVMI-UHFFFAOYSA-N 344.458 4.712 0 40 EJAB C[C@H](c1cccs1)N(C)C(=O)c1cc(-c2cccc(Cl)c2)on1 30033903 WWTQUAIIAWEYTI-LLVKDONJSA-N 346.839 4.890 0 40 EJAB Cc1csc(N(C(=O)[C@@H](C)Oc2ccccc2)c2ccccc2)n1 32985997 LOYLSIAGWSAVQN-OAHLLOKOSA-N 338.432 4.584 0 40 EJAB FC(F)(F)c1cc(-c2cccs2)nc(N2CCCCCC2)n1 36618655 AFAQUIFVXQKWKR-UHFFFAOYSA-N 327.375 4.604 0 40 EJAB CC[C@@H](NC(=O)CSCc1ccc(OC)cc1)c1ccc(C)cc1 38771860 RIVTUFXKLSWORL-LJQANCHMSA-N 343.492 4.504 0 40 EJAB Brc1cccc(-c2csc(Nc3ccccn3)n2)c1 45809094 OHTNYEFFLWLBOM-UHFFFAOYSA-N 332.226 4.711 0 40 EJAB O=C(Nc1ccccn1)N[C@H](c1ccc(Cl)cc1)c1cccs1 47152988 CAGRJAAKITVHQL-MRXNPFEDSA-N 343.839 4.708 0 40 EJAB Cc1ccc(C(=O)Nc2c(Cl)ccc3nsnc23)c(Cl)c1 57313423 IDJYDEWUPPYTDQ-UHFFFAOYSA-N 338.219 4.559 0 40 EJAB CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc2cc[nH]c2c1 71844244 JWWIYNVVGDWQOE-CTNGQTDRSA-N 332.447 4.966 0 40 EJAB C[C@H](NC(=O)c1ccccc1SC(F)F)[C@@H]1C[C@H]2CC[C@H]1C2 104655734 XRXZCEHZDOMXIX-MNXVOIDGSA-N 325.424 4.556 0 40 EJAB O=C(CCc1cccc2ccccc12)NCCSCc1ccccc1 222660694 ICOQQMSLQAVEHE-UHFFFAOYSA-N 349.499 4.822 0 40 EJAB C[C@H](NC(=O)[C@@H](C)Sc1ccccc1)c1ccc2c(c1)CCC2 223153366 KLLZFSHNCANXHJ-LSDHHAIUSA-N 325.477 4.533 0 40 EJAB Cc1ccc(-n2nc(C(F)(F)F)c(-c3cccc(C)c3)c2N)cc1 225178543 JOOQBFOGCCRAQD-UHFFFAOYSA-N 331.341 4.757 0 40 EJAB O=C(Nc1ccc(O)cc1)c1ccc(-c2ccc(F)c(Cl)c2)o1 408620198 KZKZMXAMVGDKOA-UHFFFAOYSA-N 331.730 4.697 0 40 EJAB COc1ccc2nc(C)c(C(=O)Nc3ccc(C(C)C)cc3)cc2c1 408713545 HJPWTFNAWKKCCU-UHFFFAOYSA-N 334.419 4.928 0 40 EJAB O=C(Nc1cccnc1)Nc1cccc(COC2CCCCC2)c1 520737588 ZBKCNPLNZMYVEQ-UHFFFAOYSA-N 325.412 4.575 0 40 EJAB CCc1cc2ccc(C)cc2nc1SCC(=O)N(C(C)C)C(C)C 413586 KYXJGYVJYAIHIL-UHFFFAOYSA-N 344.524 4.843 0 40 EJAB COC(C(=O)Nc1ccc(C)cc1)(c1ccccc1)c1ccccc1 1599631 YDCDBWHNYHEIEO-UHFFFAOYSA-N 331.415 4.524 0 40 EJAB O=C(Cc1c(Cl)cccc1Cl)Nc1nc2ccccc2s1 3279526 HBRGAUMYRPQADO-UHFFFAOYSA-N 337.231 4.784 0 40 EJAB O=C(Nc1cccc(Cl)c1)c1cc(-c2ccccc2Cl)no1 4060163 COLONOUSAQZALW-UHFFFAOYSA-N 333.174 4.901 0 40 EJAB Oc1cccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c1 4361173 BOURZNRLAYPTDH-PXNSSMCTSA-N 348.427 4.696 0 40 EJAB CCCCOP(=O)(OCCCC)[C@H](O)c1ccc(N(C)C)cc1 4815452 ZGGFRWDQZQLDKY-KRWDZBQOSA-N 343.404 4.570 0 40 EJAB C[C@@H](NC(=O)c1c(F)cccc1Cl)C12CC3CC(CC(C3)C1)C2 5443961 JWIFZZOGENNGBT-UZNLNLPZSA-N 335.850 4.814 0 40 EJAB COc1ccc(CNC(=O)Nc2cccc(Cl)c2)c(C(C)(C)C)c1 6262665 FLBXRBLGWPRKOJ-UHFFFAOYSA-N 346.858 4.968 0 40 EJAB CC[C@@H](Oc1ccccc1)C(=O)N[C@H](C)c1ccc2ccccc2c1 6852184 JNIZUJSBFOWAEK-IIBYNOLFSA-N 333.431 4.875 0 40 EJAB O=C(Cc1ccccc1F)Nc1ccc(OCc2ccccc2)cc1 6889873 QZKRSJDACDRPGD-UHFFFAOYSA-N 335.378 4.586 0 40 EJAB CCOc1cccc(CNCc2ccccc2)c1OCc1ccccc1 7539369 ALWROFLDIMJRSR-UHFFFAOYSA-N 347.458 4.954 0 40 EJAB CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc(Cl)c(Cl)c1 8041318 CMLVPXAGDSGHIE-AWEZNQCLSA-N 342.197 4.929 0 40 EJAB CN(C(=O)c1ccc(C(C)(C)C)cc1)c1ccc(N2CCCC2)cc1 10113709 OWDDQHJKNLJTBW-UHFFFAOYSA-N 336.479 4.861 0 40 EJAB COc1ccc(-c2ccc(SCc3ccc(F)cc3)nn2)cc1 10452415 TUMNPTDGCQLKKY-UHFFFAOYSA-N 326.396 4.584 0 40 EJAB Clc1cccc(CN2COc3c(cc(Cl)c4cccnc34)C2)c1 12589378 KDKWXOJMQIWBFJ-UHFFFAOYSA-N 345.229 4.894 0 40 EJAB CCc1cccc(CC)c1NC(=O)c1cc(C2CC2)nc2onc(C)c12 12785336 ZCCKKMIWYYWALY-UHFFFAOYSA-N 349.434 4.786 0 40 EJAB C[C@H](NC(=O)CCC(=O)c1ccccc1)c1cccc(C(F)(F)F)c1 14118869 WHMAHWMWJJKZDL-ZDUSSCGKSA-N 349.352 4.546 0 40 EJAB CC(C)(C)[C@@H]1CCc2c(sc3c2[C@@H](c2cccnc2)CC(=O)N3)C1 15106482 YRKWTXYCIYWYJZ-UKRRQHHQSA-N 340.492 4.768 0 40 EJAB CC[C@H](NC(=O)CSCc1ccccc1Cl)c1ccccc1 22509171 BDHHRLSNYJCHJF-KRWDZBQOSA-N 333.884 4.841 0 40 EJAB CN(CN1C(=O)c2cccc3cccc1c23)[C@@H]1CCCc2ccccc21 32899423 SFGNCYDPEVLZHR-HXUWFJFHSA-N 342.442 4.767 0 40 EJAB CCc1nnc(CNc2cc(Cl)ccc2Oc2ccccc2)o1 32905005 FQFZFEWTWJSGFZ-UHFFFAOYSA-N 329.787 4.690 0 40 EJAB Cc1ccccc1C(=O)N1CCc2ccccc2[C@H]1c1ccccc1 36626614 WUCULHPACRWGJL-JOCHJYFZSA-N 327.427 4.783 0 40 EJAB COc1ccccc1[C@H](C)N(C)C(=O)CCc1ccccc1Cl 40069864 XYMSICDDTJNGIP-AWEZNQCLSA-N 331.843 4.501 0 40 EJAB CC(C)(c1ccccc1)c1ccc(OC[C@@H]2CCNC2)c(Cl)c1 42771156 SCQHWTFJYUISBG-OAHLLOKOSA-N 329.871 4.654 0 40 EJAB O=C(Nc1ccc(SC(F)F)cc1)N1CCC[C@H]1c1ccncc1 43118813 PJYXCTYKZHXQRL-HNNXBMFYSA-N 349.406 4.765 0 40 EJAB O=c1[nH]c(-c2cccs2)nc2scc(-c3ccc(F)cc3)c12 46702798 VMTNIWVWZUOUDR-UHFFFAOYSA-N 328.393 4.519 0 40 EJAB COc1ccc(-c2nc(C(=O)N(C)C3CCCCCC3)cs2)cc1 58407623 UXLNQBVKYPRSQR-UHFFFAOYSA-N 344.480 4.614 0 40 EJAB Cc1ccc(-c2nnc([C@@H]3CCCN3CC3CCCCC3)o2)s1 60016740 SOLCJGSERISRDY-HNNXBMFYSA-N 331.485 4.824 0 40 EJAB Cc1c(C)c2cc3c(-c4ccc5c(c4)OCCO5)coc3cc2oc1=O 72324505 DMCAJZQNVLIWJQ-UHFFFAOYSA-N 348.354 4.594 0 40 EJAB biogenic Cc1c(/C=C/c2ccc(F)cc2F)nc2ccccc2c1C(=O)O 89556214 AHNHIGAGWGJLQL-VQHVLOKHSA-N 325.314 4.690 0 40 EJAB CCOC(=O)Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1 96124438 RZTSWPYWLNAJSO-UHFFFAOYSA-N 340.408 4.517 0 40 EJAB CCN(CC)c1ccc(-c2nc3ccccc3[nH]2)cc1Br 216884825 WOBSGQDOSJPXPY-UHFFFAOYSA-N 344.256 4.839 0 40 EJAB CCOC(=O)c1ccc(NC(=O)c2ccccc2SCC)c(C)c1 219647418 YXBJTKRBCLGIPW-UHFFFAOYSA-N 343.448 4.536 0 40 EJAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1OC 222909246 SITIWDBUCDOKJQ-GOSISDBHSA-N 341.451 4.789 0 40 EJAB Cc1cc(C)c([C@H](C)NC(=O)[C@H](C)Oc2cccc(C)c2C)cc1C 223464571 TZVPAAXUAGEDRH-OALUTQOASA-N 339.479 4.873 0 40 EJAB CCOCc1cc(C(=O)Nc2cccc(SC)c2)ccc1OCC 224697371 TXJSYNCZRGJOIM-UHFFFAOYSA-N 345.464 4.596 0 40 EJAB CCc1ccc([C@@H](C)NC(=O)CCSc2ccc(C)cc2)cc1 224886118 YMIRDGIRFSVXBN-MRXNPFEDSA-N 327.493 4.917 0 40 EJAB CCCC[C@](C)(OCC)C(=O)Nc1ccc(OC)c2ccccc12 225825931 WACANNKDOWQUNZ-FQEVSTJZSA-N 329.440 4.772 0 40 EJAB Cc1cc(-c2ccc(Cl)cc2)nc(Sc2ccc(C=O)o2)n1 408553127 OBLAZTMACKCNJU-UHFFFAOYSA-N 330.796 4.662 0 40 EJAB COc1ccccc1O[C@H](C)C(=O)Nc1c(C)cccc1C(C)C 408678909 KAKVCPKQFIKGPC-OAHLLOKOSA-N 327.424 4.533 0 40 EJAB CCCCc1ccc(NC(=O)[C@H](CC)Oc2ccccc2F)cc1 408680235 QBPGEUPXXRXWSA-SFHVURJKSA-N 329.415 4.964 0 40 EJAB Fc1ccc(-c2cn3nc(-c4ccccc4)n4c3c2CCCC4)cc1 99479 WRKGODAXVHPNDB-UHFFFAOYSA-N 331.394 4.945 0 40 EJAB CC(C)Oc1ccc(C(=O)Nc2nc3c(F)cc(F)cc3s2)cc1 2714029 TWXRSNILFDSMEI-UHFFFAOYSA-N 348.374 4.614 0 40 EJAB COc1cccc(CO[C@@H]2C[C@H](C)S[C@H]3C=CC(Cl)=C[C@H]32)c1 4110333 TUBWQLBEFSFOMZ-BIMQEMHKSA-N 336.884 4.783 0 40 EJAB Cc1ccc(-c2[nH]ncc2CNC23CC4CC(CC(C4)C2)C3)cc1C 4678774 GSQYVCNTKHYFQO-UHFFFAOYSA-N 335.495 4.752 0 40 EJAB CC(=O)c1ccc2oc3c(C(=O)c4ccccc4)c(N)ccc3c2c1 4818947 ZVNVOKAKVKJDCG-UHFFFAOYSA-N 329.355 4.602 0 40 EJAB CCC(=O)c1ccc(OCc2cc(=O)oc3cc(C)c(C)cc23)cc1 5748288 FGCTWBYLYMNZFJ-UHFFFAOYSA-N 336.387 4.582 0 40 EJAB CCCSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 6935964 XLWKQOYCAQBMAH-UHFFFAOYSA-N 333.844 4.742 0 40 EJAB CCOc1cc(C(=O)N[C@@H](C)c2ccc3ccccc3c2)ccc1OC 9751202 SDYQGKZSBQVHJX-HNNXBMFYSA-N 349.430 4.738 0 40 EJAB CC(C)(C)c1ccc(CCC(=O)NCc2ccc(Cl)cc2)cc1 10338256 SSLPYAFZQLMPTC-UHFFFAOYSA-N 329.871 4.887 0 40 EJAB CCc1ccc(CCC(=O)Nc2ccc(Br)cc2)cc1 10371691 XZFAJXJOSNCOTP-UHFFFAOYSA-N 332.241 4.583 0 40 EJAB O=C(Nc1ccc(F)cc1)N[C@H]1CCSc2ccc(Cl)cc21 12987216 LPFYMQLGHDVMKZ-AWEZNQCLSA-N 336.819 4.838 0 40 EJAB O=C(/C=C/c1ccccc1)N1CCC[C@@H]1c1nc2ccccc2s1 12989923 DOFAPCLFYIOPPP-GZKZCVOOSA-N 334.444 4.673 0 40 EJAB COc1ccc(-c2ccc(CCC(=O)Nc3ccccc3F)o2)cc1 15867356 BHHNTLFYELPVNP-UHFFFAOYSA-N 339.366 4.666 0 40 EJAB O=C(C[C@H]1OC(=O)c2ccccc21)c1ccc(-c2ccccc2)cc1 16754152 ZRGSUYNMNUQMGM-OAQYLSRUSA-N 328.367 4.838 0 40 EJAB Cc1cccc(OCc2nc(-c3ccc(C(F)(F)F)cc3)no2)c1C 17072344 DLOZKLHRDBHWJI-UHFFFAOYSA-N 348.324 4.951 0 40 EJAB CCCNc1cc(C)nc2c(-c3ccc(C)cc3)c(C(F)(F)F)nn12 21799473 JZICKYSRNDDPHM-UHFFFAOYSA-N 348.372 4.854 0 40 EJAB CCOc1ccccc1-c1ccnc2c(-c3ccccc3)c(C)nn12 22607294 RRRJVTMLDQUHCT-UHFFFAOYSA-N 329.403 4.770 0 40 EJAB C[C@H](Sc1nccn1-c1ccccc1)C(=O)c1c[nH]c2ccccc12 27487862 OTTCEJGNFBDJQM-AWEZNQCLSA-N 347.443 4.717 0 40 EJAB Cc1ccc(C(=O)N(Cc2cccc(Cl)c2)c2ccccn2)cc1 27580178 MMNVSZLELSQJEC-UHFFFAOYSA-N 336.822 4.890 0 40 EJAB Cc1ccn(-c2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)n1 28303501 YSBRVPXEYQVYDU-UHFFFAOYSA-N 346.217 4.740 0 40 EJAB CC1(C)C[C@H](NCC[C@@H](Cc2ccccc2)c2ccccc2)CCO1 32090558 APLNCVHBUSGQIW-FCHUYYIVSA-N 337.507 4.950 0 40 EJAB Cc1ccc(C(=O)NCc2cccc(COCc3ccco3)c2)c(C)c1 32915077 FMVBTSALYAMQBL-UHFFFAOYSA-N 349.430 4.543 0 40 EJAB Cc1nc(C)c(C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)s1 32969234 GVYROFDTTVYBKA-SSDOTTSWSA-N 329.252 4.558 0 40 EJAB C[C@@H](C=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 36323209 XVPJEGGIGJLDQK-IAQLINMISA-N 328.496 4.970 0 40 EJAB CC[C@@H](C(=O)N[C@@H](C)c1cccc(Br)c1)c1ccccc1 36395558 HYCZMFDGGFBQJZ-SUMWQHHRSA-N 346.268 4.820 0 40 EJAB CCc1ccc(NC(=O)c2ccc(CN3CCCCCC3)cc2)cc1 38835369 KJTAMUQCPACIAI-UHFFFAOYSA-N 336.479 4.877 0 40 EJAB Cc1cc(C)c(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)c(C)c1 44850117 YPFVHGUJAFVINF-GOSISDBHSA-N 325.452 4.943 0 40 EJAB Nc1cc(Nc2cc(Cl)cc(Cl)c2)nc(-c2ccc(F)cc2)n1 49467952 KYNFZJJWJNPNOS-UHFFFAOYSA-N 349.196 4.915 0 40 EJAB O=C(CCc1ccc2ccccc2c1)Nc1nc(-c2ccc[nH]2)cs1 58356399 ZMLNCXOPLNDULZ-UHFFFAOYSA-N 347.443 4.863 0 40 EJAB O=C(Nc1ccncc1)c1cccc(OCc2ccccc2Cl)c1 67192455 HEEUEAQOZPBELY-UHFFFAOYSA-N 338.794 4.566 0 40 EJAB Cc1ccc(NC(=S)Nc2ccc(OC(F)(F)F)cc2)c(F)c1 71326089 CQCKURQUYWMYIG-UHFFFAOYSA-N 344.333 4.842 0 40 EJAB Cc1cc2oc(C(=O)Nc3cccc(C)c3C)cc(=O)c2cc1Cl 72238586 JBWPAFKOKHQHAQ-UHFFFAOYSA-N 341.794 4.624 0 40 EJAB Cc1cccc(Nc2cccc([C@H]3CCCN3Cc3ccccc3)n2)n1 72375102 DKQYUHVMEFUZNT-HXUWFJFHSA-N 344.462 4.866 0 40 EJAB CCCCN(C)C(=O)c1cc2c(c3ccccc3n2C(C)C)n1C 96037351 OHBGBQICCWPBEQ-UHFFFAOYSA-N 325.456 4.586 0 40 EJAB C[C@@H](C(=O)N(Cc1ccsc1)c1cccnc1)c1cccs1 193504334 UITCAELKIVJGPY-CYBMUJFWSA-N 328.462 4.542 0 40 EJAB CCSc1ccccc1C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 219648025 KKFSWNFIFHYRAE-INIZCTEOSA-N 341.476 4.831 0 40 EJAB CC[C@@H](CNC(=S)Nc1cccc(Cl)c1)Cc1ccccc1 225629729 ABZIWTYUYAOVGY-CQSZACIVSA-N 332.900 4.895 0 40 EJAB Cc1ccc(NC(=O)c2snnc2-c2ccc(Cl)cc2)c(C)c1 225769387 BSPZTSCKHBDDOW-UHFFFAOYSA-N 343.839 4.728 0 40 EJAB CN(C(=O)c1ccc(-c2ccc(Cl)cc2N)o1)C1CCCCC1 226303773 KPDDFUBBXWWXGW-UHFFFAOYSA-N 332.831 4.587 0 40 EJAB Fc1cccc(Cc2cnc([C@H]3CCCN3Cc3ccccc3)o2)c1 257299855 RRXUCOGSOMGOHZ-HXUWFJFHSA-N 336.410 4.742 0 40 EJAB O=C(COc1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 575242685 DXLHOEGMCSTVTK-UHFFFAOYSA-N 348.242 4.986 0 40 EJAB O=C1/C(=C/c2ccncc2)SC(=S)N1c1cccc2ccccc12 1098602 KSXCTRDVCSXSSI-ATVHPVEESA-N 348.452 4.641 0 40 EJAB Nc1nc(SCc2ccccc2)cc(SCc2ccccc2)n1 1672593 VUNFZODSSSDAPR-UHFFFAOYSA-N 339.489 4.643 0 40 EJAB CSc1ccccc1C(=O)CCc1ccc(Br)cc1 2516757 KFBZUUDXOMLMIE-UHFFFAOYSA-N 335.266 4.987 0 40 EJAB c1ccc2c(c1)Cc1ccc(-c3csc(NC[C@@H]4CCCO4)n3)cc1-2 2647243 FZWPUGASGOZZML-KRWDZBQOSA-N 348.471 4.972 0 40 EJAB COc1ccc(/C=C/C(=O)OC2CCC(C(C)(C)C)CC2)cc1OC 3287489 PDOSOLLRBNGLGE-NTUHNPAUSA-N 346.467 4.865 0 40 EJAB COc1ccc(Cl)cc1NC(=O)CSc1ccc(C)cc1C 3605635 AGXWAIOUYWCKEP-UHFFFAOYSA-N 335.856 4.696 0 40 EJAB Cc1ccc(C)c(C(=O)CSc2nnc(-c3ccccc3C)o2)c1 4740816 YWOVWIBEQVKGIR-UHFFFAOYSA-N 338.432 4.637 0 40 EJAB Cc1cccc(NC(=O)N2CCn3cccc3[C@H]2c2ccccc2F)c1 4854269 ZKTWVUOOSCPDMT-HXUWFJFHSA-N 349.409 4.573 0 40 EJAB Cc1ccc([C@H]2c3cccn3CCN2C(=O)Nc2cccc(C)c2)cc1 5256419 DHIRDMPFLQWYLJ-NRFANRHFSA-N 345.446 4.742 0 40 EJAB CCCCc1ccc(N2C(=O)S/C(=C/c3cccn3C)C2=O)cc1 5552662 WCNMHXSZUMENAB-GHRIWEEISA-N 340.448 4.609 0 40 EJAB O=C(/C=C/c1ccccc1)Nc1ccc(Br)cc1Cl 6260079 IYUYUJZWVQHSGC-RMKNXTFCSA-N 336.616 4.754 0 40 EJAB COc1cccc(OCc2nc3ccccc3n2Cc2ccccc2)c1 6753113 LGDSFAZHFKCNBO-UHFFFAOYSA-N 344.414 4.672 0 40 EJAB CCOc1ccc(-c2nc(-c3ccc4c(c3)OCO4)cs2)cc1 7845006 WLMINVAFAGGGLN-UHFFFAOYSA-N 325.389 4.605 0 40 EJAB CCN1C(=O)/C(=C\c2cccs2)S/C1=N\c1ccc(C)cc1 8363021 XRMHTFRHOKMWGD-ODVGHASUSA-N 328.462 4.680 0 40 EJAB COC(=O)[C@]1(C)CCC[C@@]2(C)c3ccc(C(C)C)cc3C(=O)C[C@H]12 8579812 URPBIQPJABGDJD-SESVDKBCSA-N 328.452 4.634 0 40 EJAB biogenic Cc1ccc(O)c(-c2n[nH]cc2C(=O)c2ccc(C(C)(C)C)cc2)c1 9271258 LUPAHJVXGLNRNT-UHFFFAOYSA-N 334.419 4.619 0 40 EJAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2cccc3ccc(C)nc23)c1 11917463 POYCDYQBRYAENN-INIZCTEOSA-N 334.419 4.566 0 40 EJAB COc1ccccc1C1(NCc2c(C)nc3cc(C)ccn23)CCCC1 12116979 XRHVFFREWJVNJE-UHFFFAOYSA-N 349.478 4.519 0 40 EJAB Cc1cc(C(=O)Nc2ccc(Cl)cc2)c(C)n1Cc1ccco1 12993895 OGKMIWCFWVOANT-UHFFFAOYSA-N 328.799 4.652 0 40 EJAB Cc1onc(-c2ccccc2)c1C(=O)N[C@H](C)c1ccccc1Cl 13137705 HCYTXADPDNOAPQ-GFCCVEGCSA-N 340.810 4.794 0 40 EJAB Cc1nc(-c2cccc(NC(=O)CCOc3ccccc3)c2)cs1 14252634 LFZYQKAMQPVRLZ-UHFFFAOYSA-N 338.432 4.526 0 40 EJAB O=C(Nc1ccc(F)cc1Br)c1c(F)cccc1Cl 20430125 VCLJPLZWAMPBGI-UHFFFAOYSA-N 346.558 4.633 0 40 EJAB C[C@H](NC(=O)CSCc1ccccc1Cl)c1ccc(F)cc1 20454343 ZTZUMNFHOGVJHH-LBPRGKRZSA-N 337.847 4.590 0 40 EJAB Cc1ccc(Cn2cnc3c(-c4ccccc4)csc3c2=O)c(C)c1 23126377 QCYMEYADODUONE-UHFFFAOYSA-N 346.455 4.790 0 40 EJAB CC(C)CCC[C@H](C)NC(=O)N(C)Cc1nc2ccccc2s1 26181885 TZLAZWWJQVVCRP-AWEZNQCLSA-N 333.501 4.653 0 40 EJAB O=C(Nc1ccc(-c2ccccc2)cc1)c1ccn(C2CCCC2)n1 32648465 YDGHIJIBQMUYIZ-UHFFFAOYSA-N 331.419 4.918 0 40 EJAB O=Cc1ccc(-c2ccc(Cl)c(C(=O)OCc3ccccc3)c2)o1 35668687 DBABLTJEFMKRQQ-UHFFFAOYSA-N 340.762 4.770 0 40 EJAB Cc1ccc(CSCC(=O)N[C@H](C)c2ccc(C)cc2C)cc1 38753561 LYRFVDDLGMSIKE-QGZVFWFLSA-N 327.493 4.722 0 40 EJAB OC1=Nc2c(ncn2-c2ccccc2Cl)[C@@H](c2ccsc2)C1 40266446 YTXUTHARWTXLCB-LLVKDONJSA-N 329.812 4.711 0 40 EJAB COc1ccc(NC(=S)Nc2ccccc2C(F)(F)F)cc1F 67219580 VLHMUBKYMHVZQB-UHFFFAOYSA-N 344.333 4.662 0 40 EJAB CCCCn1c(SCc2cccc(C)c2)nc2ccccc2c1=O 67259687 XDEJRSNAYXUODU-UHFFFAOYSA-N 338.476 4.797 0 40 EJAB Cc1ccccc1NC(=O)N(C)[C@H](c1ccc(F)cc1)c1cccnc1 69457284 XRELWSMNDREYPO-HXUWFJFHSA-N 349.409 4.782 0 40 EJAB CC(C)COc1cccc([C@H]2CC(O)=Nc3c2cnn3C(C)C)c1 71280270 AXKSZEBDCJKHLS-MRXNPFEDSA-N 327.428 4.622 0 40 EJAB Fc1ccccc1Cc1cccc([C@H]2CCCN2Cc2ccccn2)n1 72357710 PNMQPANAEKTVKD-JOCHJYFZSA-N 347.437 4.544 0 40 EJAB CCc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)cc1 78458271 LWYMHSGJOTUEQG-GJZGRUSLSA-N 345.870 4.856 0 40 EJAB COc1ccccc1NC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 80343950 XDWMESPLJRKDFP-ZIAGYGMSSA-N 336.218 4.744 0 40 EJAB COc1ccc(-c2cnc(CSCc3nc(C)c(C)s3)o2)cc1 88309417 OLMQBIUAFYIRTP-UHFFFAOYSA-N 346.477 4.857 0 40 EJAB O=C(CCCc1ccccn1)Nc1ccccc1CCC(F)(F)F 96462303 DJHDKYYMSKTJEM-UHFFFAOYSA-N 336.357 4.538 0 40 EJAB Cc1ccc(C)c([C@@H](C)NC(=O)CCSCc2ccccc2)c1 218994078 SSPKJZRLLFHQOQ-QGZVFWFLSA-N 327.493 4.804 0 40 EJAB C[C@@H](NC(=O)CCc1ccccc1F)c1ccc(C(C)(C)C)cc1 223440991 BUZLPDOFZWZHMG-OAHLLOKOSA-N 327.443 4.933 0 40 EJAB CC(C)OC(=O)c1ccc(Nc2cc(Cl)cc(Cl)c2)c(N)c1 225428634 MAMGONMVHZZCAF-UHFFFAOYSA-N 339.222 4.884 0 40 EJAB CCCOc1ccccc1CCCNC(=S)Nc1cccc(F)c1 225625194 RBYIXTBCIJYMPP-UHFFFAOYSA-N 346.471 4.534 0 40 EJAB COc1cccc(NC(=S)NC2(c3ccc(C)cc3)CCCC2)c1 225846620 AAELBFIVUGDVKT-UHFFFAOYSA-N 340.492 4.760 0 40 EJAB COc1ccc(NC(=O)C(C)(C)Cc2ccc(Cl)cc2)c(OC)c1 225943248 SZHBKJJNKQBCFH-UHFFFAOYSA-N 347.842 4.565 0 40 EJAB Clc1c(CSc2nc3ccccc3s2)nc2ccccn12 83729 DHZIVSSOTJFICN-UHFFFAOYSA-N 331.853 4.890 0 40 EJAB Cc1ccc(-c2cc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c3ccccc3n2)o1 204902 ZNYBBKBNQBRYLY-HUUCEWRRSA-N 348.446 4.921 0 40 EJAB O=C(C[C@@H](c1ccccc1)c1cc(Cl)ccc1O)N1CCCCC1 480383 RSWFYOXWURZZEV-KRWDZBQOSA-N 343.854 4.580 0 40 EJAB CC[C@@H](C)c1ccc(NC(=S)NC(=O)c2ccc(C)cc2C)cc1 570440 JDURAUKPYDDYOX-CQSZACIVSA-N 340.492 4.944 0 40 EJAB O=C(c1ccccc1F)N(Cc1ccco1)c1ccc(Cl)cc1 2408552 YIKHKSMXEIEGFJ-UHFFFAOYSA-N 329.758 4.919 0 40 EJAB CC1(C)COC(CCCCC(=O)c2ccc(C(F)(F)F)cc2)OC1 2518074 PFNWAICZIFTUER-UHFFFAOYSA-N 344.373 4.848 0 40 EJAB C[C@H](Nc1ccc2c(c1)-c1ccccc1C2)C(=O)NCC1CCCCC1 3336989 DWVLGEBMMQLBQB-INIZCTEOSA-N 348.490 4.755 0 40 EJAB O=C(Nc1ccccc1N1CCCCC1)c1c(F)cccc1Cl 3450429 QIMQKUDMNJJABI-UHFFFAOYSA-N 332.806 4.722 0 40 EJAB O=C(Cc1c(Cl)cccc1Cl)NCc1cccc(Cl)c1 3563951 FLUKZDBDZGRZJP-UHFFFAOYSA-N 328.626 4.506 0 40 EJAB Brc1ccc2oc3c(NC4CCCCC4)ncnc3c2c1 5156745 ZQCDTNMHRPGZGG-UHFFFAOYSA-N 346.228 4.883 0 40 EJAB COc1ccc(SCC(=O)Nc2cc(Cl)ccc2Cl)cc1 5661650 WOIRTLANXZHHBE-UHFFFAOYSA-N 342.247 4.733 0 40 EJAB Clc1ccc(C2=Nc3ccccc3C(c3ccccc3)=NN2)cc1 6111521 FOYYCECXIMPNFU-UHFFFAOYSA-N 331.806 4.774 0 40 EJAB CCCOc1ccc(-c2nnc(Nc3ccc(Cl)cc3)[nH]2)cc1 8903558 ZYMSWXRIFAWNOV-UHFFFAOYSA-N 328.803 4.658 0 40 EJAB COc1cn(-c2ccccc2)nc1C(=O)Nc1c(C)cccc1C(C)C 9386884 ZNPMAHSZEUKGTG-UHFFFAOYSA-N 349.434 4.565 0 40 EJAB CC(C)CCC(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 12785016 IPULENMISRMDON-INIZCTEOSA-N 338.451 4.552 0 40 EJAB CCOc1ccccc1NC(=O)c1csc(-c2ccsc2)n1 12975329 JIBSIRPRAYARHM-UHFFFAOYSA-N 330.434 4.523 0 40 EJAB O=C(c1ccco1)N(CCc1ccccc1)c1nc2ccccc2s1 13002921 YGCOQQWAENFUDE-UHFFFAOYSA-N 348.427 4.779 0 40 EJAB Cc1ccc(-c2csc(NC(=O)CCc3ccc(Cl)cc3)n2)o1 14158083 KYLDHCDJYAFZAI-UHFFFAOYSA-N 346.839 4.936 0 40 EJAB COc1ccccc1NC(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 15353189 MWWQOAQRKWSRHD-ZDUSSCGKSA-N 334.419 4.554 0 40 EJAB COc1ccc(NC(=O)Cc2cccc3ccccc23)c2cccnc12 15840641 QMQMYIBDQJAKDJ-UHFFFAOYSA-N 342.398 4.578 0 40 EJAB COc1ccc(-c2cc(Nc3cccc(Cl)c3)nc(C)n2)cc1 15859150 YLHRWYSDBVRTIM-UHFFFAOYSA-N 325.799 4.858 0 40 EJAB C[C@H](NC(=S)Nc1ccc(F)c(Cl)c1)c1ccc(F)cc1 16316031 UVRJSQILXXTZHY-VIFPVBQESA-N 326.799 4.666 0 40 EJAB Cc1ccc(CN(C)C(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1 20485880 BJJTUZHKWQBQEP-CQSZACIVSA-N 333.884 4.788 0 40 EJAB Fc1ccccc1CCNCc1ccc(OCc2cccs2)cc1 22076405 HRPOQVMSHCHNTD-UHFFFAOYSA-N 341.451 4.799 0 40 EJAB C[C@H](c1ccc(F)cc1)N(C)CCC(=O)Nc1cccc(Cl)c1 22200085 LEGTZNJPTWWNBT-CYBMUJFWSA-N 334.822 4.501 0 40 EJAB CCc1cc2c(Sc3ccc(C(F)(F)F)cn3)ncnc2s1 24060860 FRVZUYFHSROPQL-UHFFFAOYSA-N 341.383 4.819 0 40 EJAB CCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2C(C)C)cn1 72214639 XQMYNHXSBAPFDD-QGZVFWFLSA-N 347.503 4.778 0 40 EJAB Clc1cccc(CN2CCC[C@H]2c2nnc(-c3ccsc3)o2)c1 72390168 OVVRMMQMVPWUAR-HNNXBMFYSA-N 345.855 4.789 0 40 EJAB Cc1cccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccncc4)=NN32)c1 89669440 HEGDFDINZGQFOO-UNMCSNQZSA-N 341.414 4.632 0 40 EJAB FC1(F)Oc2cc(C(Cl)(Cl)Cl)ccc2O[C@]1(F)Cl 91252137 GXUAHBYFHCLRCQ-QMMMGPOBSA-N 341.927 4.739 0 40 EJAB c1ccc(Cn2c(-c3ccc4c(c3)OCO4)cc3c2CCCC3)cc1 95951734 NMAQHTKAHFTTFL-UHFFFAOYSA-N 331.415 4.811 0 40 EJAB CC(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 118926357 CGMZETDGTMDEAD-XLHHYWFZSA-N 332.528 4.841 0 40 EJAB C[C@H](C(=O)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118931103 NPBNRBWMDNZEBN-ROQUJCIFSA-N 346.511 4.647 0 40 EJAB CC1(C)[C@@H]2CC[C@]1(C)[C@@H](NC(=O)Cc1cccc(C(F)(F)F)c1)C2 195532292 FFEBWNABOOCVNZ-QIIPPGSGSA-N 339.401 4.579 0 40 EJAB CCc1ccc(O[C@@H](CC)C(=O)Nc2c(C)cc(C)cc2C)cc1 222882581 GRUPQFOCDMAUHW-IBGZPJMESA-N 325.452 4.970 0 40 EJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NC1CCCCCCC1 224434534 IBKWXRUTPNBXIX-OAQYLSRUSA-N 343.511 4.952 0 40 EJAB O=C(CCc1ccc(Cl)c(Cl)c1)Nc1ccc(F)cc1F 225326348 SOIHDCXIOUVGES-UHFFFAOYSA-N 330.161 4.843 0 40 EJAB Cc1ccc(Cl)cc1-c1ccc(/C=C2\SC(=O)N(C)C2=O)o1 408817257 VMTJYRJZEZLPAZ-ZSOIEALJSA-N 333.796 4.575 0 40 EJAB CCOc1ccc(NC(=O)CCC(=O)c2ccc(C(C)C)cc2)cc1 408834629 LMMGALRRWIJSAZ-UHFFFAOYSA-N 339.435 4.810 0 40 EJAB CCCOc1ccc(-c2nc(C3CC3)no2)c(OC2CCCC2)c1 504251211 BLKQHIYOCJJROF-UHFFFAOYSA-N 328.412 4.724 0 40 EJAB Cc1sc(C(=O)O)cc1CN1C[C@H](c2ccccc2)C2(CCC2)C1 568292298 JITDIJYFDHVPRX-QGZVFWFLSA-N 341.476 4.524 0 40 EJAB C[C@@H](NC(=O)c1ccccc1OC(F)F)c1ccc(F)cc1Cl 605479339 YGBQDXNUZIQQCL-SECBINFHSA-N 343.732 4.572 0 40 EJAB Fc1ccc(CSc2nnc(-c3c[nH]c4ccccc34)o2)cc1 414792 HAGWHMIUOYVLNY-UHFFFAOYSA-N 325.368 4.649 0 40 EJAB Cc1ccc(-c2cc3ncc(-c4ccc(Cl)cc4)c(N)n3n2)cc1 1098722 OSHXUFOXNADOCS-UHFFFAOYSA-N 334.810 4.607 0 40 EJAB Cn1c(SCc2ccc(F)cc2)nnc1-c1ccc(Cl)cc1 2523602 LOYUPARQBSIHGZ-UHFFFAOYSA-N 333.819 4.567 0 40 EJAB O=C1/C(=C\c2ccccc2)N=C(c2ccccc2)N1Cc1ccccc1 3082509 RLDJPVOPEYBWFF-LTGZKZEYSA-N 338.410 4.517 0 40 EJAB COc1ccc(-c2nc(NC(=O)c3ccccc3F)sc2C)cc1 3554305 BIQFWTQACOATRV-UHFFFAOYSA-N 342.395 4.519 0 40 EJAB O=C(/C=C/c1ccc2c(c1)OCO2)n1c2c(c3ccccc31)CCCC2 4524790 IPCMPHHJAIICOX-ZRDIBKRKSA-N 345.398 4.602 0 40 EJAB CC[C@@H](C)N1C(=O)S/C(=C/c2cc(Cl)c(O)c(Cl)c2)C1=O 4545353 JEFMWXPMMQCTMJ-PKTIUJEHSA-N 346.235 4.534 0 40 EJAB CCOc1ccccc1/C=C(\CC(=O)O)c1nc2ccccc2s1 5131007 XAKINQRSJBBLIE-SDNWHVSQSA-N 339.416 4.710 0 40 EJAB CCc1cccc(CC)c1NC(=O)[C@@H](C)Oc1cccc(Cl)c1 6125526 OERUMRUKYIAFKR-CYBMUJFWSA-N 331.843 4.871 0 40 EJAB CCc1ccc2nc(NC(=O)C3C4CC5CC(C4)CC3C5)sc2c1 6561619 WNTHTWWIAYSOPU-UHFFFAOYSA-N 340.492 4.870 0 40 EJAB Cc1ccc2c(CC(=O)Nc3cccc(Br)c3)coc2c1 6933609 FCLLAAXIWZJSOT-UHFFFAOYSA-N 344.208 4.685 0 40 EJAB CC(C)Sc1ccc(C(=O)Nc2nnc(-c3cccs3)o2)cc1 10253333 DGBHBHLERXPNAR-UHFFFAOYSA-N 345.449 4.551 0 40 EJAB Cc1c(C(=O)N2CCC[C@@H](C(F)(F)F)C2)oc2ccc(Cl)cc12 12877948 DWXLSHAULFKGHA-SNVBAGLBSA-N 345.748 4.809 0 40 EJAB CSc1cccc(NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c1 13708429 JVYAHWFAOVTUAL-CQSZACIVSA-N 337.444 4.968 0 40 EJAB O=C(OCc1ccc(-c2ccccc2)cc1)C1C[C@@H]2CCC[C@H](C1)C2=O 14129481 YHTGGFCJQYLUNR-WCRBZPEASA-N 348.442 4.792 0 40 EJAB Cc1cc(C(=O)CCC(=O)N[C@H](c2cccs2)C(C)C)c(C)s1 14228230 BGAFLFYUMXUZCI-SFHVURJKSA-N 349.521 4.903 0 40 EJAB C[C@H]1CC[C@H](c2cccn2C)N(C(=S)Nc2ccccc2)CC1 18943510 DTCACUGAERELGV-MAUKXSAKSA-N 327.497 4.585 0 40 EJAB CCc1cccc(CC)c1NC(=O)[C@@H](CC)Oc1cccc(OC)c1 20485698 GVQLZJHCQCNFCC-LJQANCHMSA-N 341.451 4.616 0 40 EJAB C/C=C/c1cc(C(=O)Nc2cnc3ccccc3c2)cc(OC)c1OC 25533587 CCZPTRRAVWMVCQ-QPJJXVBHSA-N 348.402 4.537 0 40 EJAB C[C@H](c1ccc(F)cc1)N(C)CCCc1nc(-c2cccs2)no1 32843159 VPAVAVINIUKVBX-CYBMUJFWSA-N 345.443 4.563 0 40 EJAB O=C(c1cc(F)c(F)cc1Cl)N1CCC[C@@H]1c1cccc(F)c1 36620905 GGZAQAHESJCOEB-MRXNPFEDSA-N 339.744 4.735 0 40 EJAB Cc1nc(SC(=O)Nc2cccc(Cl)c2)nc2ccccc12 59431820 NYRPMHCMFNZIDY-UHFFFAOYSA-N 329.812 4.916 0 40 EJAB Cc1cc(C)c(CNc2ccc(C(=O)NC3CC3)c(Cl)c2)c(C)c1 64948949 IUWVHADXGACPMD-UHFFFAOYSA-N 342.870 4.770 0 40 EJAB CC[C@@H](C)Nc1ncccc1[C@H]1CCCCN1C(=O)OC(C)(C)C 72213443 NSTFDXBOZMPHJD-GDBMZVCRSA-N 333.476 4.754 0 40 EJAB CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1C1=NCCCC1 72215247 WZSMTWWAOWWHCO-CQSZACIVSA-N 331.460 4.595 0 40 EJAB CCC[C@@]1(C)CCCN(C(=O)c2csc(-c3ccccc3F)n2)C1 72303834 QCALUJCHFGFQCO-IBGZPJMESA-N 346.471 4.992 0 40 EJAB CC[C@H](C(=O)NCC[C@@H](O)c1cccc2ccccc12)c1ccccc1 77116624 YJWRDUPEYXBPPB-SIKLNZKXSA-N 347.458 4.573 0 40 EJAB COC(=O)Nc1cccc(NCc2cnc(-c3cccs3)s2)c1 95428565 OKHOQMCXKZBUDZ-UHFFFAOYSA-N 345.449 4.662 0 40 EJAB Cc1ccc2nc(C)c(CN3C[C@]4(C)C[C@@H]3CC(C)(C)C4)c(O)c2c1 100279484 ZVQPHRCZKRHKQI-KSFYIVLOSA-N 338.495 4.958 0 40 EJAB COc1ccc(CCCNC(=O)c2ccccc2SC(C)C)cc1 219653862 YWIPGFUETORHFY-UHFFFAOYSA-N 343.492 4.558 0 40 EJAB CC(C)(C)c1ccc(-c2nc(-c3ccc(N)cc3Cl)no2)cc1 225175799 UOUCLDKZYMJGNL-UHFFFAOYSA-N 327.815 4.937 0 40 EJAB Cc1ccc(-n2nc(C(F)(F)F)c(-c3ccccc3F)c2N)cc1 225179229 PDHPCMVLVCRRJU-UHFFFAOYSA-N 335.304 4.588 0 40 EJAB Cc1ccc([C@@H](NC(=S)Nc2ncccc2C)c2ccccc2)cc1 225512442 IWDVAOFRKFXSBX-IBGZPJMESA-N 347.487 4.774 0 40 EJAB CCCOC1(C(=O)Nc2ccc(OC3CCCC3)c(C)c2)CCCC1 225655679 YGBHJYKGIZQDFN-UHFFFAOYSA-N 345.483 4.994 0 40 EJAB CO[C@@H](C)c1nsc(Oc2ccc(Sc3ccncc3)cc2)n1 252500409 SUXRUIKAECPICO-NSHDSACASA-N 345.449 4.584 0 40 EJAB CCc1cc2c(NCc3ccc(O)c(Cl)c3)nc(C)nc2s1 1559272272 PUEYCHYSBQLCRT-UHFFFAOYSA-N 333.844 4.533 0 40 EJAB COc1ccc2ccccc2c1[S@](=O)Nc1ccc(Cl)cc1 1394217 RVJXJMDMACIIHU-JOCHJYFZSA-N 331.824 4.637 0 40 EJAB C[C@](O)(c1ccccc1)[C@H]1[C@H](c2ccccc2)N1Cc1ccccc1 1690381 XROUXDULVYPFKP-VDXGAUASSA-N 329.443 4.520 0 40 EJAB C=CC(=O)N1N=C2/C(=C/c3ccccc3)CCC[C@H]2[C@@H]1c1ccccc1 5480555 QLWGOOITNIDNOY-QIFKXPBTSA-N 342.442 4.996 0 40 EJAB Nc1nnc(S[C@@H](c2ccccc2)c2ccc(Cl)cc2)s1 5636600 OORWCVAUGNKOEZ-ZDUSSCGKSA-N 333.869 4.655 0 40 EJAB Cc1cc2nc(/C=C/c3ccc(OCC(=O)O)cc3)sc2cc1C 6826335 HXUFKEFILVDOEY-VMPITWQZSA-N 339.416 4.547 0 40 EJAB CC(C)Sc1ccccc1C(=O)N[C@H](C)CCc1ccccc1 8478842 IJEPBNAZJXTHCW-MRXNPFEDSA-N 327.493 4.938 0 40 EJAB CC(C)n1ncc2c(C(=O)Nc3ccccc3)cc(-c3ccco3)nc21 10507090 HXXXCMCTZRXIAX-UHFFFAOYSA-N 346.390 4.525 0 40 EJAB C[C@H](N[C@@H](c1ccccc1)C1CC1)C(=O)Nc1ccc(F)c(Cl)c1 12676778 YOIFKBVZIUEIIB-SGTLLEGYSA-N 346.833 4.547 0 40 EJAB COc1ccc(O)c(C2=Nc3ccccc3N=C(c3ccco3)C2)c1 13126465 OQISMEJUMUIZMF-UHFFFAOYSA-N 332.359 4.639 0 40 EJAB O=Cc1cn(Cc2cccc(Cl)c2)c2ccc(Br)cc12 17072463 YIYXYJQHMALPMK-UHFFFAOYSA-N 348.627 4.918 0 40 EJAB Cc1nn(-c2ccccc2Cl)c(Cl)c1CNCc1ccccc1 17309827 HTRRFSNCHLEGBL-UHFFFAOYSA-N 346.261 4.777 0 40 EJAB Cc1nc(-c2cccs2)c(CCC(=O)Nc2ccccc2F)s1 19819672 NMUWHIRCCVYCLS-UHFFFAOYSA-N 346.452 4.890 0 40 EJAB CC[C@H](Oc1cccc2ccccc12)C(=O)N1c2ccccc2C[C@@H]1C 20042033 FAXCCAMVSWEAFN-KKSFZXQISA-N 345.442 4.975 0 40 EJAB Cc1ccc(-n2ncc3c2C[C@@H](c2cccc(Cl)c2)CC3=O)cc1 20632956 BATHJHNERWBOTB-OAHLLOKOSA-N 336.822 4.747 0 40 EJAB Cc1c(C(=O)Nc2onc3c2C[C@@H](C)CC3)oc2ccc(Cl)cc12 27794716 SAOPDLXEJREZAJ-VIFPVBQESA-N 344.798 4.760 0 40 EJAB O=C(Nc1ccccc1)Nc1ccn(Cc2cccc3ccccc23)n1 28579516 ICIXVFPKIZBEHC-UHFFFAOYSA-N 342.402 4.729 0 40 EJAB CCc1nc2cc(N[C@H](C)c3nnc(-c4ccc(C)cc4)o3)ccc2o1 56201063 QNOSBFJMECTLOO-CYBMUJFWSA-N 348.406 4.922 0 40 EJAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N[C@@H](C)c1cc(C)ccc1C 59351524 HSUXIQSVIDFYPS-RXVVDRJESA-N 339.479 4.955 0 40 EJAB COc1ccc(NC(=S)Nc2cccc(C(C)C)c2)c(OC)c1 71760681 QCQBJDNELIMWLX-UHFFFAOYSA-N 330.453 4.636 0 40 EJAB CC(C)(C)OC(=O)N1CCC[C@@H]1c1ccc(Nc2ccccc2)nc1 72214075 QOALNQYZKSTXGL-QGZVFWFLSA-N 339.439 4.897 0 40 EJAB CC[C@H](C)n1ncc(C(=O)Nc2cccc3ncccc23)c1C1CC1 89723055 AOTCNRYUPDESFA-ZDUSSCGKSA-N 334.423 4.532 0 40 EJAB CC[C@H](CSC(F)(F)F)NCc1ccc(Br)cc1 95918385 LKGZCTIIEVYGIE-LLVKDONJSA-N 342.224 4.570 0 40 EJAB COc1ccc([C@H](CC(C)C)NC(=O)c2cc3ccccc3o2)cc1 219947323 DMHLGBOQTSORQU-SFHVURJKSA-N 337.419 4.959 0 40 EJAB CC(C)c1ccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1 222558008 SWAVXGWNCSWPMS-GDIGMMSISA-N 337.492 4.794 0 40 EJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1c(C)cccc1C 223454181 BUBOJHIZWCTTNS-FQEVSTJZSA-N 337.463 4.978 0 40 EJAB O=C(CCc1c(Cl)cccc1Cl)NCc1ccc(Cl)cc1 225346341 MABMSXNHQIJAPX-UHFFFAOYSA-N 342.653 4.896 0 40 EJAB CCC(C)(C)NC(=S)Nc1ccc(Br)c(Cl)c1 225644561 JZBPJQGXHPJLCQ-UHFFFAOYSA-N 335.698 4.578 0 40 EJAB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCC)nc1 225908031 ISZGDYHDSRTKQQ-IBGZPJMESA-N 336.476 4.575 0 40 EJAB Cc1ccccc1CSCCNC(=O)Nc1cccc(Cl)c1 409406750 CLDPRHMFUYIOPX-UHFFFAOYSA-N 334.872 4.703 0 40 EJAB COc1ccc(C(=O)NCc2cc(-c3ccsc3)cs2)cc1F 1889070767 QEWILPNBIYQHDI-UHFFFAOYSA-N 347.436 4.554 0 40 EJAB Cc1ccc(NC(=O)N(C2=NC[C@@H](C)S2)c2ccccc2)cc1 135404 GUKJNAXGWLHPAH-CQSZACIVSA-N 325.437 4.525 0 40 EJAB Cc1sc2ncnc(S[C@H]3CCc4ccccc4C3=O)c2c1C 420648 ZXPZWEBFBVXRHP-AWEZNQCLSA-N 340.473 4.598 0 40 EJAB COc1ccc2oc(C(=O)c3c(C)oc4ccc(OC)cc34)cc2c1 517154 KUYVBSWFAOHPPI-UHFFFAOYSA-N 336.343 4.736 0 40 EJAB biogenic CCOc1cccc2c(N[C@@H](C)CCCN(CC)CC)c(C)cnc12 1873676 TXPFYPNVDMETIO-KRWDZBQOSA-N 343.515 4.864 0 40 EJAB Cc1ccc([C@H]2C[C@@H](c3ccc(C(C)C)cc3)Nc3ncnn32)cc1 2500084 VURWMRDUQVGSOW-VQTJNVASSA-N 332.451 4.856 0 40 EJAB CSc1ncccc1C(=O)Nc1ccc(Oc2ccccc2)cc1 2648189 FTNYFXZGRAVSTQ-UHFFFAOYSA-N 336.416 4.848 0 40 EJAB C[C@@H](CN1[C@@H](C)CCC[C@H]1C)OC(=O)c1ccc(Cl)cc1Cl 3314813 ZJSORPWYRKFLDQ-XQQFMLRXSA-N 344.282 4.802 0 40 EJAB O=C(Nc1ccccc1-c1nc2ccccc2o1)c1ccc(F)cc1 4135292 XWYRXFWHYWDQJO-UHFFFAOYSA-N 332.334 4.886 0 40 EJAB CC/C(Cc1ccccc1)=N\NC(=O)CSc1ccc(Cl)cc1 4474932 LHTYCVPPVQQAGQ-CAPFRKAQSA-N 346.883 4.557 0 40 EJAB Cc1cccc(C)c1NC(=O)CSc1nc2ccc(Cl)cc2[nH]1 4485012 YYHBIGSHIHOPSM-UHFFFAOYSA-N 345.855 4.564 0 40 EJAB C[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc4ccccc4c2)N3)C1 4543392 QDOQLAGESWEVFL-CWTRNNRKSA-N 348.471 4.880 0 40 EJAB CCSc1ccccc1C(=O)Nc1nc2c(C)cccc2s1 4585696 MNJIBOLIZZHQCJ-UHFFFAOYSA-N 328.462 4.969 0 40 EJAB CCOc1ccc(-c2cnc(NCc3ccccc3Cl)n2C)cc1 4678784 UQXFNZJXYVZXLT-UHFFFAOYSA-N 341.842 4.751 0 40 EJAB Cc1cc2nc(NC(=O)Nc3cccc4ccccc34)[nH]c2cc1C 6796958 NHXBDNYKHDKMIY-UHFFFAOYSA-N 330.391 4.977 0 40 EJAB CC1CCC(NC(=O)CSCc2ccc(Cl)c(Cl)c2)CC1 6998828 NFGFRZDXNBRURX-UHFFFAOYSA-N 346.323 4.922 0 40 EJAB COc1ccc(-c2cc(CSc3ncnc4ccccc34)on2)cc1 9053938 YWQNKWKXOWRYLC-UHFFFAOYSA-N 349.415 4.586 0 40 EJAB Cc1ccc(COc2cccc(C(=S)N3CCCCC3)c2)cc1 9189020 NUYQETOWLNBLLD-UHFFFAOYSA-N 325.477 4.735 0 40 EJAB Cc1cccc(C)c1NC(=S)N1CCc2[nH]c3ccccc3c2C1 11089585 GGRMLRODUVFUJD-UHFFFAOYSA-N 335.476 4.540 0 40 EJAB O=C(Nc1ccc(SCc2cccnc2)cc1)c1ccc(F)cc1 11596757 BWQLADHOOYKSRH-UHFFFAOYSA-N 338.407 4.765 0 40 EJAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)c1 11637064 ZRKBJRCIEFICME-CYBMUJFWSA-N 337.341 4.728 0 40 EJAB CCCCN(C(=O)c1ccc(-n2nc(C)cc2C)cc1)c1ccccc1 12568512 NXKQNFMSBBOJDR-UHFFFAOYSA-N 347.462 4.936 0 40 EJAB CSc1ccccc1NC(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1 12980156 DVGSMGDCZLHERG-GFCCVEGCSA-N 335.856 4.776 0 40 EJAB CCOc1ccc([C@@H]2CCCN2C(=O)c2cc3ccccc3[nH]2)cc1 14167799 UWXLMWBMDFYWFK-FQEVSTJZSA-N 334.419 4.544 0 40 EJAB C[C@H](NC(=O)c1cc(-c2ccc(Cl)cc2)on1)c1ccc(F)cc1 14259709 SIGIWLOYPDLPRI-NSHDSACASA-N 344.773 4.625 0 40 EJAB O=C(Nc1ccc(Oc2ccccc2)cc1)C1C[C@@H]2CCC[C@H](C1)C2=O 14493339 RGLVOHYAYQEEIO-SJPCQFCGSA-N 349.430 4.813 0 40 EJAB O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(-c2ccccc2)on1 21840258 IBFHENNKPUSVOC-UHFFFAOYSA-N 333.174 4.901 0 40 EJAB CN(Cc1cccc(Cl)c1Cl)C(=O)c1cc2ccccc2[nH]1 23785783 QMIYQQSGAMIEJQ-UHFFFAOYSA-N 333.218 4.747 0 40 EJAB Cc1c(NC(=O)c2ccc(Cl)cc2)cc(Cl)c(O)c1Cl 26787144 GDNVDJRYMHMCCV-UHFFFAOYSA-N 330.598 4.913 0 40 EJAB CCCCCOc1ccc(C(=O)c2ccc(C3OCCO3)s2)cc1 43210429 WGZKOJASSCLQGG-UHFFFAOYSA-N 346.448 4.594 0 40 EJAB c1ccc(-c2nnc(COc3ccc(Oc4ccccn4)cc3)o2)cc1 58392042 CAYIINHGDYSOGK-UHFFFAOYSA-N 345.358 4.503 0 40 EJAB Cc1nc(C2(NCc3cccc4ccccc34)CCCCCC2)no1 63512102 FNEBBOYJAHMBDJ-UHFFFAOYSA-N 335.451 4.871 0 40 EJAB Cc1noc(C)c1NC(=O)c1cc(-c2ccccc2)ccc1Cl 95394701 MAWVYBLFHUTINL-UHFFFAOYSA-N 326.783 4.864 0 40 EJAB O=C(O)c1cc(Cl)c(OCc2c(Cl)cccc2Cl)cc1O 216933189 XLXKUINYZSAJGZ-UHFFFAOYSA-N 347.581 4.630 0 40 EJAB CCC1(CC)C[C@@H](NC(=O)c2cccc(F)c2)c2ccccc2O1 224960575 GHTJZJTWYOSIKK-QGZVFWFLSA-N 327.399 4.638 0 40 EJAB COc1ccc([C@@H](CC(C)C)NC(=O)CCc2ccccc2F)cc1 225797246 CVCMSNJMDYSSRQ-HXUWFJFHSA-N 343.442 4.671 0 40 EJAB Cc1ccnc(Nc2cc(C(F)(F)F)ccc2Br)c1 228958894 WBWQVPNTPDZVAQ-UHFFFAOYSA-N 331.135 4.915 0 40 EJAB Cc1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)cc1 248098876 OMOHHANHPQZDFI-CJBVTVNNSA-N 333.431 4.990 0 40 EJAB O=C(Nc1ccc(C(F)(F)F)cc1)N1CC[C@@H](c2cccs2)C1 827907359 UPYROLZEXSGPEC-LLVKDONJSA-N 340.370 4.788 0 40 EJAB Cc1cc(Br)c2nc(-c3ccccc3)cc(C(=O)O)c2c1 1857793834 DRHBCSBIAKWVDN-UHFFFAOYSA-N 342.192 4.671 0 40 EJAB O=C(Nc1c(Cl)cccc1Cl)c1noc2c1CCCCC2 426556 CUBAWHZZDYUYBG-UHFFFAOYSA-N 325.195 4.503 0 40 EJAB CCOC(=O)c1sc(Nc2cc(Cl)ccc2Cl)nc1C 1623201 FJHQIUZOOWHUMI-UHFFFAOYSA-N 331.224 4.679 0 40 EJAB Cc1cc(C)c(N2COc3ccc4c(C)c(C)c(=O)oc4c3C2)c(C)c1 2123408 DGUUFNGRUNGREJ-UHFFFAOYSA-N 349.430 4.692 0 40 EJAB biogenic O=C(/C=C/c1cccs1)N1CCC[C@@H]1c1nc2ccccc2s1 3459373 NJSVTYRTMZXTQY-BOLDSZDNSA-N 340.473 4.735 0 40 EJAB CC(=O)[C@H]1[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 4024150 JYYRDDFNMDZIIP-IQJCPSAMSA-N 328.496 4.970 0 40 EJAB biogenic O=C1c2ccccc2N(C(=O)c2ccccc2Cl)[C@@H]1c1ccccc1 5947825 KWKJSVVUXKPIIL-LJQANCHMSA-N 347.801 4.924 0 40 EJAB Cc1nc(C(=O)N[C@H](C)c2ccccc2)cc2c1[nH]c1ccccc12 6075856 CFUQAFSVAQDAPM-CYBMUJFWSA-N 329.403 4.516 0 40 EJAB biogenic O=C(Nc1cccc(Br)c1)C12CC3CC(CC(C3)C1)C2 6220442 SPCHBSLQQIUWMK-UHFFFAOYSA-N 334.257 4.604 0 40 EJAB O=C(Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1)c1ccco1 6242917 NDJYPZXMBINAGK-UHFFFAOYSA-N 338.750 4.994 0 40 EJAB Cc1ccc2[nH]c(S[C@H](C)C(=O)c3ccc(F)c(F)c3)nc2c1 6657860 IDYTUWMTSSCLML-SNVBAGLBSA-N 332.375 4.513 0 40 EJAB CSc1ccccc1NC(=O)CSCc1cccc(Cl)c1 7094131 ZLIRTEYAASXGLF-UHFFFAOYSA-N 337.897 4.934 0 40 EJAB Clc1ccc(-c2ccc(CNC[C@H]3CCCO3)o2)c(Cl)c1 7538922 PLXZZYRPDMAFKU-GFCCVEGCSA-N 326.223 4.522 0 40 EJAB COc1ccc(C(C)(C)C)cc1NC(=O)c1cccc2cccnc12 7989111 BOEFFKCXGPXWSY-UHFFFAOYSA-N 334.419 4.793 0 40 EJAB Cc1sc(-c2ccccn2)nc1-c1ccc(NC(=O)C(C)C)cc1 8209563 CIFTVHVBBAXINQ-UHFFFAOYSA-N 337.448 4.775 0 40 EJAB Cc1ccc(/N=C/c2c(OCC(=O)O)ccc3ccccc23)c(C)c1 8368452 XTKUBIYFNPXFHO-WSDLNYQXSA-N 333.387 4.671 0 40 EJAB Cc1noc(C)c1CCC(=O)Nc1ccc(C(F)(F)F)cc1Cl 9253319 MMVFIHNSDTYKTM-UHFFFAOYSA-N 346.736 4.535 0 40 EJAB Cc1csc(Cc2nc(-c3c(C)[nH]c4ccccc34)cs2)n1 9385992 PJIHRTPXQHRVMC-UHFFFAOYSA-N 325.462 4.956 0 40 EJAB Cc1ccc([C@@H]2CC(=O)c3c(C)nc(Nc4ccccc4)nc3C2)cc1 10156536 XLYDILLZRAEWDG-KRWDZBQOSA-N 343.430 4.750 0 40 EJAB Cc1cc(C)cc(CSCC(=O)N2c3ccccc3C[C@@H]2C)c1 10449640 KZBDIOUECCXRPZ-INIZCTEOSA-N 325.477 4.514 0 40 EJAB CCc1cccc(NC(=O)Cc2csc(-c3ccsc3)n2)c1 12747265 AIFABZWSASXZNY-UHFFFAOYSA-N 328.462 4.615 0 40 EJAB Cc1ccccc1[C@H](C)NC(=O)c1sc(-c2ccsc2)nc1C 15518637 NEUCAUOCOVTBIM-LBPRGKRZSA-N 342.489 4.979 0 40 EJAB Cc1cc(Br)ccc1NC(=O)c1ccc(Cl)cc1F 15610857 DMFZCEKNUPEOJK-UHFFFAOYSA-N 342.595 4.802 0 40 EJAB COc1ccc(C2=Nc3c(C)noc3C[C@@H](c3ccccc3)C2)cc1 19872794 ADIVBMSEPFYXRE-KRWDZBQOSA-N 332.403 4.842 0 40 EJAB COc1ccc(C)cc1[C@H](C)NC(=O)N(C)[C@H](C)c1ccc(F)cc1 22396305 MJQNYRDLTXLKLQ-LSDHHAIUSA-N 344.430 4.606 0 40 EJAB CN(C(=O)Cc1cccc2ccccc12)C1C2CC3CC(C2)CC1C3 23153143 VYBHPALLBFITIB-UHFFFAOYSA-N 333.475 4.665 0 40 EJAB Cc1ccc(-c2nnc(SCc3ccc(-n4cccn4)cc3)o2)cc1 27425825 AITLTQZHWKIKPZ-UHFFFAOYSA-N 348.431 4.523 0 40 EJAB O=C(Nc1ccc(N2CCCC2)cc1)Nc1ccc(F)c(Cl)c1 32609918 SVIPPZFJJCKIPQ-UHFFFAOYSA-N 333.794 4.723 0 40 EJAB CCNc1nc2c(s1)[C@H](c1c(C)sc3ccccc13)CC(=O)N2 35324893 YXBKSHAKSZJKLE-NSHDSACASA-N 343.477 4.572 0 40 EJAB C[C@@H](NC(=O)c1cc(-c2cccc(F)c2)no1)c1ccccc1Cl 36833015 PAEMRMBMBWITEW-LLVKDONJSA-N 344.773 4.625 0 40 EJAB Cc1c(Cl)cccc1NC(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 40478280 KWMNEJWZJUOJBE-UHFFFAOYSA-N 346.217 4.944 0 40 EJAB O=C(CCc1ccncc1)N1CCC[C@H]1c1cccc2ccccc12 69491139 PJSIFHNPKROOQN-NRFANRHFSA-N 330.431 4.531 0 40 EJAB Cc1ccc(NC(=S)Nc2cccc(OC(F)(F)F)c2)c(F)c1 71326088 JVVPOQHKVJBUPA-UHFFFAOYSA-N 344.333 4.842 0 40 EJAB O=C(N1CCC(Cc2ccccc2)CC1)C1(c2ccccc2)CCCC1 96649199 ODXPNBRWOLFOFI-UHFFFAOYSA-N 347.502 4.980 0 40 EJAB CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1cc(Cl)ccc1OC 222949100 VGUILVYYTZUFFD-INIZCTEOSA-N 347.842 4.762 0 40 EJAB CC[C@H](NC(=O)CCc1ccc(OC)c(C)c1)c1ccccc1C 224462132 MZXKWHIADYECPA-IBGZPJMESA-N 325.452 4.512 0 40 EJAB Cc1ccc([C@H](C)NC(=O)COc2cc(C)ccc2C(C)C)cc1 225665497 UQYZIAXMSWWRAP-KRWDZBQOSA-N 325.452 4.683 0 40 EJAB Cc1ccccc1C1(NC(=S)Nc2ccccc2F)CCCC1 225850622 LLSQLZPGTZITEZ-UHFFFAOYSA-N 328.456 4.890 0 40 EJAB Cc1ccc2oc(=O)c(C(=O)Nc3cccc(Cl)c3Cl)cc2c1 226036585 UQMMRZGCVLMSCV-UHFFFAOYSA-N 348.185 4.661 0 40 EJAB Cc1ccc2oc(=O)c(C(=O)Nc3c(Cl)cccc3Cl)cc2c1 226036619 WASRZXDGOYABIJ-UHFFFAOYSA-N 348.185 4.661 0 40 EJAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(Cl)cc3)S2)cc1 408772823 FYIYMZVUOFILPL-QMJOVRGKSA-N 344.867 4.502 0 40 EJAB C[C@H](Cc1csc2ccccc12)NC(=O)Nc1c(F)cccc1F 575619937 HDISDWLHMXCJEB-LLVKDONJSA-N 346.402 4.932 0 40 EJAB C[C@H](NC(=O)c1c[nH]nc1-c1ccccc1F)c1cccc(C2CC2)c1 1556776658 MHDWXEVJYLIQOR-ZDUSSCGKSA-N 349.409 4.584 0 40 EJAB CCc1ncnc(NCc2ccc(Oc3ccc(F)cc3)cc2)c1F 1611749480 NFXNLVMZCMGKJQ-UHFFFAOYSA-N 341.361 4.722 0 40 EJAB O=C1OC(c2ccc(Cl)cc2)=N/C1=C/c1c(O)ccc2ccccc12 70779 NWSGWHIJSBTUSJ-GZTJUZNOSA-N 349.773 4.543 0 40 EJAB Cc1ccc(Oc2ccc(NC(=O)c3ccccc3C(=O)O)cc2)cc1 277202 DUOSYOXXNSSHNT-UHFFFAOYSA-N 347.370 4.738 0 40 EJAB O=C(Nc1ccccc1)c1cn(Cc2ccccc2)c2ccccc12 1402133 CIYSSTIZRQDQNF-UHFFFAOYSA-N 326.399 4.942 0 40 EJAB Cc1ccc(-c2nc3cccnc3s2)cc1NC(=O)c1ccccc1 2972398 BORXWPQRKVAGJO-UHFFFAOYSA-N 345.427 4.919 0 40 EJAB CCOc1ccccc1OCC(=O)Nc1ccc([C@@H](C)CC)cc1 3326176 AOTGXQWICGYFIA-HNNXBMFYSA-N 327.424 4.616 0 40 EJAB Cc1cc(C)n2nc(SC(c3ccccc3)c3ccccc3)nc2n1 3359115 TXGGVYLRHBUDOX-UHFFFAOYSA-N 346.459 4.623 0 40 EJAB CC(C)Sc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1 3441612 BWPBKTJHARYWFN-UHFFFAOYSA-N 330.840 4.540 0 40 EJAB O=C(Nc1ccc(N2CCCCC2)cc1)c1cccc(OC(F)F)c1 4902375 XFNXFSZUZZISIJ-UHFFFAOYSA-N 346.377 4.531 0 40 EJAB CSc1cccc(NC(=O)/C=C/c2nc3ccccc3s2)c1 5560244 LNQAKDWZZORASO-MDZDMXLPSA-N 326.446 4.670 0 40 EJAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(Cl)cc1F 6270967 KUWXEMIOHUZECU-SNVBAGLBSA-N 342.197 4.847 0 40 EJAB CC[C@@H](C)c1ccccc1OCC(=O)N[C@H]1CCCc2ccccc21 7063519 WOFKUXJXCQXTEH-UZLBHIALSA-N 337.463 4.773 0 40 EJAB Cc1cc(C)n(-c2nc(-c3ccccc3)c3cc(Cl)ccc3n2)n1 7814762 RVWKIHGQHSYUDP-UHFFFAOYSA-N 334.810 4.753 0 40 EJAB Cc1ccc(N(Cc2cccs2)C(=O)COc2ccccc2)cc1 11915868 YGRKJPOWCKRQJX-UHFFFAOYSA-N 337.444 4.669 0 40 EJAB COc1ccc(-c2nc3cc(C(F)(F)F)ccc3n3ccnc23)cc1 12600054 GWKBAGTUTNEKIW-UHFFFAOYSA-N 343.308 4.577 0 40 EJAB Cc1c(C(=O)Nc2nc3c(s2)CCCCC3)oc2c(F)cccc12 12749814 ASJUFMSWJNZPPT-UHFFFAOYSA-N 344.411 4.858 0 40 EJAB CSc1nc(C(C)C)nc(C)c1C(=O)Nc1cc(Cl)ccc1C 12823852 FTNPDLYUWKHOIF-UHFFFAOYSA-N 349.887 4.844 0 40 EJAB C[C@@H](Nc1ccc2nnc(-c3ccccc3Cl)n2n1)c1ccccc1 13628930 HJJJWKKYPPHFMI-CYBMUJFWSA-N 349.825 4.618 0 40 EJAB Cc1ccc(C(=O)CCC(=O)Nc2cccc(C(F)(F)F)c2)s1 14125769 DDIAHNSAMIXFBB-UHFFFAOYSA-N 341.354 4.677 0 40 EJAB CCCOc1ccc2ccccc2c1CN(C)C(=O)/C=C/c1ccco1 15090681 NPWNJAORGXVLGN-ACCUITESSA-N 349.430 4.893 0 40 EJAB CC(C)(C)[C@@H]1CCc2c(sc3c2[C@@H](c2ccncc2)CC(=O)N3)C1 15106915 IGHQMEYQTKCAJX-UKRRQHHQSA-N 340.492 4.768 0 40 EJAB Cc1ccc(-c2noc(-c3cccnc3NCc3ccccc3)n2)cc1 15669977 LRIHPHVECKVNKM-UHFFFAOYSA-N 342.402 4.719 0 40 EJAB c1ccc2c(c1)O[C@@H]1c3ccccc3O[C@H]3c4ccccc4O[C@@H]2N31 18116933 GYHIUCWIJXVSLP-PCCBWWKXSA-N 329.355 4.562 0 40 EJAB O=C(CN(C1=NCCCS1)c1ccc(Cl)cc1)c1ccccc1 27027710 LPDYOZASYFYGJO-UHFFFAOYSA-N 344.867 4.522 0 40 EJAB C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1ccccc1OC(F)F 32754295 JXRRBCNOJWRXIZ-GFCCVEGCSA-N 345.345 4.867 0 40 EJAB COc1ccccc1NC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 32935972 GTPLFDFTNCREEX-IBGZPJMESA-N 342.414 4.887 0 40 EJAB COc1cc(C)c(NC(=O)N[C@@H](C)c2cccc(Cl)c2)cc1OC 40103461 WQOWIULAJKXRGQ-LBPRGKRZSA-N 348.830 4.548 0 40 EJAB OC1=Nc2c(ncn2-c2ccccc2Cl)[C@H](c2ccsc2)C1 40266447 YTXUTHARWTXLCB-NSHDSACASA-N 329.812 4.711 0 40 EJAB Cc1nc2ccc(NC(=O)N3CCC[C@H]3c3ccccc3)cc2s1 43375739 NQKCOEKOXTUKDL-KRWDZBQOSA-N 337.448 4.974 0 40 EJAB O=C(CCc1ccccc1Cl)NCc1ccc(Cl)cc1Cl 44837395 DEABOSBDDHYOAG-UHFFFAOYSA-N 342.653 4.896 0 40 EJAB CC(C)c1cnc(-c2ccc(NC(=O)[C@@H]3C[C@@H]3c3cccnc3)cc2)o1 71909705 IGBKDDCGSDWKMD-QZTJIDSGSA-N 347.418 4.602 0 40 EJAB c1ccc(CN2CC[C@H](NC3CCCC3)[C@H](c3ccccc3)C2)cc1 72341600 NCIDXTBGDVKDPB-GOTSBHOMSA-N 334.507 4.577 0 40 EJAB Cc1nc2ccc(NC(=O)N3CCCCC[C@@H]3c3ccco3)cc2o1 77261211 UWWZPTYYZSKXMH-MRXNPFEDSA-N 339.395 4.878 0 40 EJAB CC(C)c1ccc(CNc2cc(C[S@@](C)=O)ccc2Cl)cc1 83141481 ZIXWSKZAISTPBR-QFIPXVFZSA-N 335.900 4.954 0 40 EJAB O=C(Nc1ccc(F)cc1F)N1C[C@@H]2CCCC[C@@]21c1ccccc1 84525240 LYCVMSUSPKJXLG-MGPUTAFESA-N 342.389 4.898 0 40 EJAB Cc1n[nH]c(C)c1NC(=O)c1cc(-c2ccccc2)ccc1Cl 89522947 XFRNFEBAMNAFPV-UHFFFAOYSA-N 325.799 4.599 0 40 EJAB Cc1ccc(SCCC(=O)NCc2cccc3ccccc23)cc1 222829436 IMLGTKMFLYHIBX-UHFFFAOYSA-N 335.472 4.947 0 40 EJAB Cc1ccc(C)c(O[C@H](C)C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)c1 223454540 KOPHRMDDCOOXPX-RBUKOAKNSA-N 339.479 4.873 0 40 EJAB O=C(/C=C/c1ccccc1Cl)Nc1ccc(N2CCCCC2)cc1 224939715 DVWOXXADUUJPPB-MDWZMJQESA-N 340.854 4.982 0 40 EJAB COc1ccc2c(c1)CCC[C@@H]2NC(=S)Nc1cc(C)ccc1C 225702149 ZQWGBCNDIHJJOI-SFHVURJKSA-N 340.492 4.676 0 40 EJAB CCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OC)c2ccccc12 225794095 DPIVAMMKKAEMLN-HXUWFJFHSA-N 329.440 4.628 0 40 EJAB Cc1ccccc1CSCC(=O)Nc1ccc(OC(C)C)cc1 408577270 XTIWQYPICBDDRA-UHFFFAOYSA-N 329.465 4.654 0 40 EJAB COc1ccc(NC(=O)c2ccc(COc3cccc(C)c3)cc2)cc1 409182397 LHNPQWJPBYFRIF-UHFFFAOYSA-N 347.414 4.835 0 40 EJAB O=C(CCc1ccccc1)c1ccccc1OC(F)(F)C(F)F 575360025 BTDASVSQEMRNBD-UHFFFAOYSA-N 326.289 4.739 0 40 EJAB Nc1ccccc1SCC(=O)N(C1CCCCC1)C1CCCCC1 415364 CDCLDLPPAZAVNQ-UHFFFAOYSA-N 346.540 4.855 0 40 EJAB O=C(NCc1ccccc1)c1cc(-c2ccc(Cl)c(Cl)c2)on1 425704 HZQGCAAFXHKREU-UHFFFAOYSA-N 347.201 4.578 0 40 EJAB Cc1cccc(OCC(=O)Nc2nc3cc(Cl)c(C)cc3s2)c1 569628 VNFAFCYNRDNGAQ-UHFFFAOYSA-N 346.839 4.584 0 40 EJAB Cc1ccc(-c2nnc(N(C(=O)CC(C)C)C3CCCC3)s2)cc1 1345455 FPMGAQWTSQJUIO-UHFFFAOYSA-N 343.496 4.835 0 40 EJAB CC(C)(C)n1nc(C2CC2)cc1NC(=O)Nc1ccc(Cl)cc1 1586128 GTVJMLKPCKBNMX-UHFFFAOYSA-N 332.835 4.813 0 40 EJAB in-vitro Cc1ccc2nc(NC(=O)Cc3c(F)cccc3Cl)sc2c1 2642693 AQTXDOBNRXHORN-UHFFFAOYSA-N 334.803 4.578 0 40 EJAB Cc1ccccc1OCC(=O)Nc1ccccc1Nc1ccccc1 3190357 NCZIFMISEHHNFE-UHFFFAOYSA-N 332.403 4.756 0 40 EJAB Cc1ccc(S(=O)(=O)Oc2ccc3c(c2)oc2ccccc23)cc1 3200838 AIHIYLZUYKCUTB-UHFFFAOYSA-N 338.384 4.662 0 40 EJAB Cc1c(C(=O)N(C)Cc2c(F)cccc2Cl)oc2ccccc12 3333767 AVHPKSRIMAABHZ-UHFFFAOYSA-N 331.774 4.806 0 40 EJAB Cc1cc(OC[C@H](O)CN(C(C)C)C(C)C)c(C(C)C)cc1Cl 3391481 KBTDZNRZQOCYEW-MRXNPFEDSA-N 341.923 4.630 0 40 EJAB Cc1ccc(SCCC(=O)Nc2nc3ccc(F)cc3s2)cc1 4496512 AGMLXRFAUYNWHK-UHFFFAOYSA-N 346.452 4.865 0 40 EJAB Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1Cc1ccco1 4696043 NXWDKONGXXUYJF-NRFANRHFSA-N 342.398 4.815 0 40 EJAB COc1ccc(-c2cc(NC(=O)CC3CCCC3)ccc2OC)cc1 7639020 GMHPZXXEWXBACD-UHFFFAOYSA-N 339.435 4.890 0 40 EJAB C[C@H](C(=O)c1c[nH]c2ccccc12)N(Cc1ccc(F)cc1)C1CC1 7789340 ZRRICFKWJMVWTR-CQSZACIVSA-N 336.410 4.543 0 40 EJAB O=C(OCc1ncc(-c2ccc(F)cc2)o1)c1ccc(Cl)s1 8401410 PHUMMXIUXHOSRY-UHFFFAOYSA-N 337.759 4.553 0 40 EJAB CCCn1c(SCCOc2cccc(C)c2)nc2ccccc21 12062360 WBOXFMRYLJKAHM-UHFFFAOYSA-N 326.465 4.926 0 40 EJAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](C)c1cccs1 12816766 SKIQSLQVLOJNQJ-NXEZZACHSA-N 344.263 4.700 0 40 EJAB O=C(c1sc(-c2ccco2)nc1-c1ccccc1)N1CCCCC1 12940822 NKJHZHWTAIBEBW-UHFFFAOYSA-N 338.432 4.696 0 40 EJAB COc1ccccc1CN[C@H](Cc1cccs1)c1nc(C)cs1 19240105 WVXWLZZFNWPMTB-MRXNPFEDSA-N 344.505 4.595 0 40 EJAB COc1ccc(S[C@H](C)C(=O)Nc2ccc(OC(C)C)cc2)cc1 19931403 MKSJWNUGTOQQSQ-CQSZACIVSA-N 345.464 4.602 0 40 EJAB Cc1cccc(NC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)c1C 19932548 KSCNRTGORJULMH-MRXNPFEDSA-N 336.479 4.788 0 40 EJAB CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)Nc1ccc(OC)cc1 21130175 LJBCHUBSYKYMAV-LSDHHAIUSA-N 326.440 4.648 0 40 EJAB CCc1ccc(-c2noc(CN[C@H](c3ccccc3)C(C)C)n2)cc1 24982043 YMXYWGQRZNHGDI-FQEVSTJZSA-N 335.451 4.786 0 40 EJAB CC(C)(C)c1nc(CSc2nc3cc(Cl)ccc3s2)no1 28008652 CMYOKWXIYGOLEO-UHFFFAOYSA-N 339.873 4.923 0 40 EJAB Cc1c(C(=O)N(Cc2ccco2)Cc2ccco2)oc2ccccc12 28231930 GFJKMSLDEDEBOT-UHFFFAOYSA-N 335.359 4.770 0 40 EJAB C[C@@H](CSc1nc2ccccc2[nH]1)Sc1nc2ccccc2[nH]1 30835655 AVCMSNFSYYJACV-NSHDSACASA-N 340.477 4.712 0 40 EJAB COc1ccc2c(c1)CCC[C@H]2NC(=S)Nc1ccccc1Cl 39974173 LVYYBPPCPDDFEJ-MRXNPFEDSA-N 346.883 4.713 0 40 EJAB Cc1ccc(NC(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)c(C)c1 40095363 PWYPLNNJQADZIP-UHFFFAOYSA-N 337.398 4.514 0 40 EJAB COC(=O)c1cccc(Nc2ccnc3ccc(C(F)(F)F)cc23)c1 40175525 NJRJCYULWMWUOI-UHFFFAOYSA-N 346.308 4.784 0 40 EJAB Cc1ccc(-c2cc(-c3nc(-c4cccc(F)c4)no3)[nH]n2)cc1C 46914255 JNTIMONVJZKTBX-UHFFFAOYSA-N 334.354 4.550 0 40 EJAB CC(C)(C)OC(=O)N1CCC[C@@H]1c1cccnc1Oc1ccccc1 72212196 IOFJOXLEFVAZRZ-QGZVFWFLSA-N 340.423 4.946 0 40 EJAB O=C(C1CCCC1)N1CCC(c2cccc(Cc3ccccc3)n2)CC1 72349636 YTAMAAFOHJVZOM-UHFFFAOYSA-N 348.490 4.569 0 40 EJAB CCc1ccc([C@@H](C)NC(=O)COc2ccccc2C(C)C)cc1 78457883 YVZIMGQDEWOBTE-MRXNPFEDSA-N 325.452 4.629 0 40 EJAB Clc1cc2c(s1)CC[C@H]2NCc1ccnc(OC2CCC2)c1 90912189 SGLNLKHZTJSSFT-CQSZACIVSA-N 334.872 4.505 0 40 EJAB Cc1ccc([C@H](C)NC(=O)COc2ccc(Cl)cc2Cl)cc1 216450374 LGTWAVMARZKZRV-LBPRGKRZSA-N 338.234 4.558 0 40 EJAB Cc1ccc(C)c(C(=O)NCCSCc2ccccc2Cl)c1 222755416 GSIKZCZZISEJFM-UHFFFAOYSA-N 333.884 4.620 0 40 EJAB O=C(c1ccc(Cl)cc1F)N1CCC(Cc2ccccc2)CC1 223219615 SVEHIAYXAGXOKM-UHFFFAOYSA-N 331.818 4.574 0 40 EJAB CCCC[C@H](CC)CNC(=O)c1ccc(CN2CCC[C@@H](C)C2)cc1 224333364 YVWUSEMEMDCNFC-MOPGFXCFSA-N 344.543 4.865 0 40 EJAB CCCCOc1ccc(NC(=O)[C@@](C)(CCCC)OCCC)cn1 225907073 LWEHBZKALGXGFK-LJQANCHMSA-N 336.476 4.575 0 40 EJAB C[C@H]1CCCCN1c1ccc(N)cc1NC(=O)c1ccccc1Cl 226254617 FTVMEYGPWDEDFS-ZDUSSCGKSA-N 343.858 4.553 0 40 EJAB CCc1cccc2c(/C=C3\SC(=O)N(c4ccccc4)C3=O)c[nH]c12 409129662 VRALHVHDOADQAG-BOPFTXTBSA-N 348.427 4.971 0 40 EJAB Cc1ccnc([C@@H](C)Nc2ccc(-c3cn4ccccc4n3)cc2)c1 514744665 LAUCFCQYBXYIRG-MRXNPFEDSA-N 328.419 4.878 0 40 EJAB C[C@H]1CC(=O)N(C)c2ccc(N[C@@H](C)c3c(F)cccc3F)cc21 629273314 RZOSYGAXZULITP-RYUDHWBXSA-N 330.378 4.608 0 40 EJAB Cc1ccccc1-c1nnc(SCc2ccccc2Cl)n1C 319310 OGBQFKDQJFEUHM-UHFFFAOYSA-N 329.856 4.736 0 40 EJAB Cc1cc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccccc2n1 2623639 SZBPXCSOXUHHOR-UHFFFAOYSA-N 346.308 4.694 0 40 EJAB Cc1cccc(NC(=O)COc2ccc(Oc3ccccc3)cc2)c1 3189426 KDAQBBMCVPRPHQ-UHFFFAOYSA-N 333.387 4.805 0 40 EJAB COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3C(=O)C[C@H]21 4165040 URPBIQPJABGDJD-HMXCVIKNSA-N 328.452 4.634 0 40 EJAB biogenic,in-vitro CCSc1cccc(C(=O)Nc2nc3c(F)cccc3s2)c1 4585793 LKNHJRXZMCOSLH-UHFFFAOYSA-N 332.425 4.800 0 40 EJAB C[C@@H]1Cc2ccccc2N1C(=O)CCSc1ccc(Cl)cc1 4731666 OCVUUDDPQJUJLD-CYBMUJFWSA-N 331.868 4.800 0 40 EJAB CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 4805109 ZOENOTDRHSJUPM-UMWWKMARSA-N 346.511 4.632 0 40 EJAB Cc1occc1-c1nnc2sc(-c3cccc4ccccc34)nn12 4938943 PDROOZMSGJIXAT-UHFFFAOYSA-N 332.388 4.574 0 40 EJAB Cc1ccc(C(=O)CCCCCC(=O)c2ccc(C)cc2O)c(O)c1 5051973 GKFCLFVPQSLEPA-UHFFFAOYSA-N 340.419 4.731 0 40 EJAB Cc1cccc(-n2c(C)nnc2SCc2c(F)cccc2Cl)c1 5359548 FAAPFEGUAOTIAR-UHFFFAOYSA-N 347.846 4.969 0 40 EJAB Cc1cc(C)cc(NC(=O)CCCSc2nc3ccccc3[nH]2)c1 6061026 DBRBLXYASZLNEH-UHFFFAOYSA-N 339.464 4.691 0 40 EJAB CC[C@@H](C)c1ccccc1OC[C@H](O)CN(CC)C1CCCCC1 6355901 HUHCJNJBZMWXPS-IEBWSBKVSA-N 333.516 4.594 0 40 EJAB COc1cc(-c2csc(NC3CCCCC3)n2)cc(OC)c1OC 6507879 OAFFJWURAXUAAK-UHFFFAOYSA-N 348.468 4.581 0 40 EJAB CCCCNCc1cc(Cl)c(OCc2ccccc2)c(OC)c1 7261640 BURYXYSRWDJHLH-UHFFFAOYSA-N 333.859 4.817 0 40 EJAB Cc1nn([C@@H](C)CC(=O)Nc2cc(Cl)cc(Cl)c2)c(C)c1C 7616335 UPEBCMZPPDSZNH-VIFPVBQESA-N 340.254 4.705 0 40 EJAB Cc1ccc(NC(=O)CCC(=O)c2ccc3ccccc3c2)cc1F 7954139 ZYAAJKWTRYXDMA-UHFFFAOYSA-N 335.378 4.889 0 40 EJAB COC(=O)c1cccc(NC(=O)c2ccccc2SC(C)C)c1C 8480255 BEQIBOHRPROUMJ-UHFFFAOYSA-N 343.448 4.534 0 40 EJAB CC(C)(C)c1ccc(-c2nc3c4ccccc4nc(S)n3n2)cc1 8559860 AGBHWBOJDOSZFX-UHFFFAOYSA-N 334.448 4.531 0 40 EJAB c1ccc(Sc2nc3ccccc3nc2Sc2ccccn2)nc1 20031086 RXUCKQZJAMGNEU-UHFFFAOYSA-N 348.456 4.722 0 40 EJAB O=C(Nc1ccc(-n2cc(Cl)cn2)cc1)Nc1ccccc1Cl 28220158 ATXIPOAQKFCSIP-UHFFFAOYSA-N 347.205 4.823 0 40 EJAB COc1ccccc1[C@@H](C)N(C)C(=O)c1cc2c(s1)CCCCC2 32796609 GSEFFYWNCZKTHC-CQSZACIVSA-N 343.492 4.859 0 40 EJAB C[C@H](NC(=O)N[C@H]1CCCC[C@H]1C)c1cccc(C(F)(F)F)c1 32863174 KINRCRIESHKJAH-XUJVJEKNSA-N 328.378 4.644 0 40 EJAB O=C(Nc1c(F)cccc1F)c1cc(Br)ccc1Cl 37975274 VAUXYARPOINFJX-UHFFFAOYSA-N 346.558 4.633 0 40 EJAB Cc1ccccc1-c1noc(CN(C)[C@@H](C)c2cc3ccccc3o2)n1 40066989 ZRGGTRUKJNHFTE-HNNXBMFYSA-N 347.418 4.984 0 40 EJAB OC1=Nc2c(cnn2Cc2ccccc2)[C@@H](c2cccc(Cl)c2)C1 49544987 ICCGWYLXFYDCRA-MRXNPFEDSA-N 337.810 4.708 0 40 EJAB CC[C@@](C)(NCc1ncc(-c2cccs2)o1)c1nc(C)cs1 72305287 UBBIQTAJWHJHKG-MRXNPFEDSA-N 333.482 4.583 0 40 EJAB Cc1nc(-c2ccccc2)ncc1C(=O)Nc1cccc(Cl)c1C 75437303 PPAXWVOOJWJEDU-UHFFFAOYSA-N 337.810 4.666 0 40 EJAB C[C@H](NCCc1nc(-c2ccccn2)cs1)c1cc2ccccc2o1 90044501 FNEOAXMSVRTRRA-AWEZNQCLSA-N 349.459 4.845 0 40 EJAB CCCCOc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1OC 196402903 WBKQILXXSNUQAW-UHFFFAOYSA-N 327.424 4.743 0 40 EJAB Cc1ccc(CNC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)cc1 224460328 XOOSHTQSLBVMAI-KRWDZBQOSA-N 325.452 4.511 0 40 EJAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc3c4c(cccc24)CC3)c(C)c1 224608610 RGRMPRVDUIYCJY-MRXNPFEDSA-N 345.442 4.961 0 40 EJAB CCN(c1ccccc1-c1ccccc1)S(=O)(=O)c1cccs1 225139979 CUVBYCGHLRXDSA-UHFFFAOYSA-N 343.473 4.630 0 40 EJAB O=C(COCc1ccccc1)c1ccc(C(F)(F)F)c(Cl)c1 382696341 BDPCUPZHMXYAGR-UHFFFAOYSA-N 328.717 4.758 0 40 EJAB O=C(/C=C/c1cccs1)NCc1nc(C2CCCCC2)cs1 390831383 RNONZRCHSSGOKB-CMDGGOBGSA-N 332.494 4.582 0 40 EJAB O=C(NCCc1ccc(-c2cccs2)s1)NCc1cccs1 1889280223 IHJDMKKDMPTLGN-UHFFFAOYSA-N 348.518 4.580 0 40 EJAB S=c1sc2c(N3CCCCCC3)ncnc2n1-c1ccccc1 89065 OGECLICRLKVFFN-UHFFFAOYSA-N 342.493 4.592 0 40 EJAB Cc1ccc(NC(=O)N(C2=NC[C@H](C)S2)c2ccccc2)cc1 135405 GUKJNAXGWLHPAH-AWEZNQCLSA-N 325.437 4.525 0 40 EJAB C[C@H]1CN=C(N(C(=O)Nc2ccccc2)[C@@H](C)c2ccccc2)S1 503373 WRLMYLQCBSGTDJ-GJZGRUSLSA-N 339.464 4.773 0 40 EJAB Cc1cc(C(C)(C)C)ccc1OCC(=O)Nc1cc(F)ccc1F 2625680 VWSNZZJTJIQVTO-UHFFFAOYSA-N 333.378 4.588 0 40 EJAB Cc1ccc(-c2csc(NC(=O)C3(c4ccccc4)CC3)n2)cc1 2652646 ZLSGMYNRBOJGCW-UHFFFAOYSA-N 334.444 4.789 0 40 EJAB O=C(NC1CCCCC1)c1ccc(COc2ccccc2Cl)cc1 2752520 YSOOLBQPDSDFME-UHFFFAOYSA-N 343.854 4.982 0 40 EJAB COc1ccccc1OCc1ccc(C(=O)Nc2ccccc2)cc1 2752954 VCFRHTVSWUZVAE-UHFFFAOYSA-N 333.387 4.527 0 40 EJAB CCCSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1 3339265 MBALULNMAGKMFO-UHFFFAOYSA-N 330.840 4.541 0 40 EJAB CCOC(=O)c1sc(Nc2nc3ccc(OC)cc3s2)cc1C 4137744 MDPIEEVCGADTQR-UHFFFAOYSA-N 348.449 4.595 0 40 EJAB aggregator Fc1ccccc1CSc1nnc(C2CC2)n1-c1ccccc1 4186959 IXBUPKDVTXONTG-UHFFFAOYSA-N 325.412 4.576 0 40 EJAB Cc1ccc(SCCC(=O)Nc2nc3c(F)cccc3s2)cc1 4496552 AENBHPKRDVUTRY-UHFFFAOYSA-N 346.452 4.865 0 40 EJAB CCCc1cc(C(=O)Nc2ccc(OC(F)F)cc2)sc1C 7407062 VHGOMZJDWSHGKB-UHFFFAOYSA-N 325.380 4.863 0 40 EJAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)/C=C/c1cccs1 8131635 KUXQKUXYNJDEMQ-VMPCVLLUSA-N 328.462 4.591 0 40 EJAB C[C@H](c1ccccc1)N(C)C(=O)c1csc(-c2ccc(F)cc2)n1 8404819 INAYKFQHGRYLIV-CYBMUJFWSA-N 340.423 4.782 0 40 EJAB Cc1sc2nc(CSc3ccc(Cl)cc3)[nH]c(=O)c2c1C 8457946 GQUHFHPCDLAAAC-UHFFFAOYSA-N 336.869 4.547 0 40 EJAB O=C(NCCCCOc1ccccc1)c1ccc2c3c(cccc13)CC2 10340708 LJGRTTHDBUWHTL-UHFFFAOYSA-N 345.442 4.527 0 40 EJAB O=C(NC1CCCCCCC1)c1ccc(CN2CCCCC2)cc1 10370427 HBUOWOWQDHUMGY-UHFFFAOYSA-N 328.500 4.515 0 40 EJAB Brc1ccc(-c2csc(NC3CCCC3)n2)s1 12599815 XSVCLYBMBSIQFR-UHFFFAOYSA-N 329.288 4.989 0 40 EJAB CCN(C(=O)c1cc(Cl)ccc1F)c1nc2ccccc2s1 12776223 HTSQSOQOPOIADB-UHFFFAOYSA-N 334.803 4.756 0 40 EJAB Cc1ccc2c(c1)S[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C2 12978983 QWQVQGFSRRWDHU-OAHLLOKOSA-N 338.259 4.957 0 40 EJAB CCOC(=O)c1ccc(NC(=S)Nc2ccc(C)c(Cl)c2)cc1 13789845 MLMFRZXNZURIEW-UHFFFAOYSA-N 348.855 4.634 0 40 EJAB Cc1ccc(C(=O)Nc2cc(Br)ccc2C2CC2)cc1 13945505 YHGAERSMJKBOBZ-UHFFFAOYSA-N 330.225 4.887 0 40 EJAB Cc1cc(OC(C)(C)C(=O)N2c3ccccc3C[C@H]2C)ccc1Cl 17071783 JMTNZGUPJDTROQ-CQSZACIVSA-N 343.854 4.784 0 40 EJAB Cc1cccc(Nc2ncnc3c2cnn3-c2cccc(Cl)c2)c1C 17135688 UEVQQRPTQHWHPO-UHFFFAOYSA-N 349.825 4.829 0 40 EJAB Cc1cc2nc(NC(=S)NCc3ccc(F)cc3)sc2cc1C 18198391 RWXKJWWVVPXWEQ-UHFFFAOYSA-N 345.468 4.539 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)c(C)c1 20486158 IPRDXLHLNDQDMO-MOPGFXCFSA-N 339.479 4.873 0 40 EJAB CCC(=O)Nc1ccc(-c2csc(Cc3csc(C)n3)n2)cc1 26981857 IFZKKYJDHHHDEA-UHFFFAOYSA-N 343.477 4.514 0 40 EJAB O=C(CCc1ccsc1)N1Cc2ccccc2[C@@H](c2ccccc2)C1 29702049 QILXHUKFJCMCNR-OAQYLSRUSA-N 347.483 4.855 0 40 EJAB Cc1nc(-c2ccc(Oc3ncnc4ccccc34)c(F)c2)cs1 30518681 AUQUPSSXRNDKAY-UHFFFAOYSA-N 337.379 4.993 0 40 EJAB O=C(Nc1cccc(OCc2ccncc2)c1)c1ccc(Cl)s1 32915681 MWXBVIMGTWWHJO-UHFFFAOYSA-N 344.823 4.628 0 40 EJAB c1ccc2c(c1)O[C@@H]1c3ccccc3O[C@@H]3c4ccccc4O[C@H]2N31 36006786 GYHIUCWIJXVSLP-NJDAHSKKSA-N 329.355 4.562 0 40 EJAB CCOc1cc(/C=C/C(=O)Nc2ccccc2C(C)C)ccc1OC 36333702 XATYRDXMXPGSCY-ACCUITESSA-N 339.435 4.869 0 40 EJAB CCCC(C)(C)NC(=O)c1cnc(-c2ccc(Cl)s2)s1 65402445 PKCFXMGZNYCYNH-UHFFFAOYSA-N 328.890 4.834 0 40 EJAB CCC(CC)c1cc[n+](Cc2ccc(Br)s2)cc1 67437857 CVXMDDYAKZFCRF-UHFFFAOYSA-N 325.295 4.750 0 40 EJAB COc1ccc(NC(=O)c2cc3c(ccc4ccccc43)o2)cc1OC 113940955 BAOAUVWFEYZNED-UHFFFAOYSA-N 347.370 4.856 0 40 EJAB CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(OC2CCCC2)cc1 222863366 PKMQDAZUIZSPQF-FQEVSTJZSA-N 339.435 4.804 0 40 EJAB Cc1ccc(Cl)cc1NC(=O)COc1cccc2c1CCCC2 223719752 FOPDMYRFVMATED-UHFFFAOYSA-N 329.827 4.545 0 40 EJAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1ccc(F)cc1 225677678 DJTFXBWTZNYBBL-MRXNPFEDSA-N 344.455 4.723 0 40 EJAB CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OC)c2ncccc12 225907697 ARKIBRYDYYWHOR-FQEVSTJZSA-N 344.455 4.557 0 40 EJAB COc1ccc(C(=O)Nc2c(C)cc(Br)cc2C)cc1C 226094589 PMQQCDOBZJPWCB-UHFFFAOYSA-N 348.240 4.635 0 40 EJAB C[C@]12CC[C@@H]3[C@H](CC[C@@H]4CCCC[C@]43C)[C@@H]1Cc1sc(N)nc12 239338749 LDZFZRSSOBEODZ-GWTKTOIUSA-N 330.541 5.172 0 40 EJAB C[C@H](NC(=O)c1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1 385364 JVUILRWXJNGFAW-JTQLQIEISA-N 327.733 4.850 0 40 EJAB Cc1oc2cc(OC(=O)C(C)(C)C)ccc2c(=O)c1-c1ccccc1 535033 MTPXQFWJOVWXKW-UHFFFAOYSA-N 336.387 4.720 0 40 EJAB biogenic O=C1NC(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)S1 2337899 NTZPLLUZAFVWMM-WUXMJOGZSA-N 340.187 4.577 0 40 EJAB CCc1nc(SCC(=O)c2ccccc2)c2oc3ccccc3c2n1 2448292 MLJUQBWZAACHQW-UHFFFAOYSA-N 348.427 4.913 0 40 EJAB Cc1ccc(C(=O)[C@H](C)Sc2nnc(-c3ccccc3)o2)cc1C 2618536 JMKLLYCASPYXHL-AWEZNQCLSA-N 338.432 4.717 0 40 EJAB CCCSc1nc2sc3c(c2c(=O)n1[C@@H](C)CC)CCCC3 2624846 LVKYJJSKEVQLRU-NSHDSACASA-N 336.526 4.810 0 40 EJAB COc1ccc(-c2cn(-c3ccc(C)cc3)c(=S)[nH]2)cc1OC 2689234 NAPVJQVSEVZSID-UHFFFAOYSA-N 326.421 4.528 0 40 EJAB Cc1ccc(S(=O)(=O)Oc2ccc(-c3ccccc3)c(F)c2)cc1 4060688 GWKGEKPMXQTLKF-UHFFFAOYSA-N 342.391 4.569 0 40 EJAB C[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc4ccccc24)N3)C1 4543307 FJCFFPKEYQKCJE-HXPMCKFVSA-N 348.471 4.880 0 40 EJAB O=C(NC1CCCCC1)c1ccc(C23CC4CC(CC(C4)C2)C3)o1 4619504 SWJVRTMNFDQWBB-UHFFFAOYSA-N 327.468 4.810 0 40 EJAB O=C(c1ccc(Cl)cc1)N(Cc1cccc(F)c1)Cc1ccco1 6747580 BFCKAJQJENTTNK-UHFFFAOYSA-N 343.785 4.915 0 40 EJAB Cc1[nH]c(SCc2nc3ccccc3o2)nc1Cc1ccccc1 8333675 ZEPYLSPTTREWRC-UHFFFAOYSA-N 335.432 4.742 0 40 EJAB C[C@H](NC(=O)N(C)Cc1cccc(Cl)c1Cl)c1cccs1 12984836 KKEURBOQGGLZEO-JTQLQIEISA-N 343.279 4.958 0 40 EJAB Brc1ccccc1[C@H]1SCc2nc3ccccc3n21 13220125 CTFKPXQJNIZGEL-OAHLLOKOSA-N 331.238 4.593 0 40 EJAB CN(C(=O)c1ccccc1OCc1ccc(F)cc1)c1ccccc1 19008925 SWNDEYJHXZZHDK-UHFFFAOYSA-N 335.378 4.681 0 40 EJAB Cc1ccc([C@]2(CCNCc3ccco3)CCOC(C)(C)C2)cc1 27666512 YZNSVMMHVQMLJW-OAQYLSRUSA-N 327.468 4.595 0 40 EJAB O=C(Cc1cccc2ccccc12)N[C@H]1CCC[C@H](C(F)(F)F)C1 32895209 BNWPFGUDAYPKHR-HOTGVXAUSA-N 335.369 4.620 0 40 EJAB C[C@@H](SC(c1ccccc1)c1ccccc1)C(=O)NC(C)(C)C 58017888 PLKMMNCJGRKCRX-OAHLLOKOSA-N 327.493 4.812 0 40 EJAB C[C@@H]1CCN(C(=O)c2[nH]c3ccccc3c2Cl)[C@@H]2CCCC[C@H]12 58407533 JYAWNGHLPBLRNT-XJKCOSOUSA-N 330.859 4.862 0 40 EJAB CC[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1)c1ccc(C)cc1 59351785 NWKKVMWDHLLGNG-HNAYVOBHSA-N 345.870 4.992 0 40 EJAB O=C(CCN1c2ccccc2Sc2ccccc21)Nc1ccccn1 65595479 WTAFVALCGQGPKJ-UHFFFAOYSA-N 347.443 4.713 0 40 EJAB CCc1cc2c(cc1[C@H](O)C[n+]1ccccc1)C(C)(C)CCC2(C)C 72334074 WNPFVRKVRMEJPL-OAQYLSRUSA-N 338.515 4.619 0 40 EJAB Fc1cc(-c2ccccc2NCc2nnc(C3CC3)o2)cc(F)c1F 86213060 YLCKRZVBLTXNKS-UHFFFAOYSA-N 345.324 4.643 0 40 EJAB CC(C)n1ccc2ccc(C(=O)N[C@@H](C)c3nc4ccccc4[nH]3)cc21 96118511 ULWPZCHWXJZVFJ-AWEZNQCLSA-N 346.434 4.590 0 40 EJAB Cc1cc(C)c(NC(=O)[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)c(C)n1 97214005 YTPJMJIHIICWNB-LSDHHAIUSA-N 348.368 4.768 0 40 EJAB COc1cc2ccccc2cc1C(=O)NCc1cccc2ccccc12 222873847 AJEIMRCBQBIABU-UHFFFAOYSA-N 341.410 4.932 0 40 EJAB Cc1ccc(NC(=S)NCCSCc2ccccc2C)cc1C 225359947 AJOZYXDVWAUJGB-UHFFFAOYSA-N 344.549 4.832 0 40 EJAB Cc1ccc([C@H](NC(=S)Nc2ccc(C)cn2)c2ccccc2)cc1 225512555 YQAIIAMWFVIMTH-HXUWFJFHSA-N 347.487 4.774 0 40 EJAB O=C(c1ccc2c(c1)CCCC2)N1CCC(Cc2ccccc2)CC1 225627117 OIQHHCUEEKHUJM-UHFFFAOYSA-N 333.475 4.660 0 40 EJAB Cc1cccnc1Nc1cccc(C2CCN(C3CCCC3)CC2)n1 257231437 GGQUBKLYHINPAU-UHFFFAOYSA-N 336.483 4.651 0 40 EJAB COc1ccc(NC(=O)CCC(=O)c2ccc3cc(C)ccc3c2)cc1 408820893 AFQIPPJERMKOEH-UHFFFAOYSA-N 347.414 4.758 0 40 EJAB CC1CCC2(CC1)SCC(=O)N2c1cccc(C(F)(F)F)c1 34464 DEOBOZKPUGHKIK-UHFFFAOYSA-N 329.387 4.692 0 40 EJAB Cc1ccc(N(C)C(=O)NC(=S)c2cccc3ccccc23)cc1C 1096155 ZRNUFMGZVZYHNM-UHFFFAOYSA-N 348.471 4.978 0 40 EJAB COc1cnc(-c2ccccn2)nc1Oc1cc(Cl)cc(Cl)c1 3128560 AYYIISGHJNPKBU-UHFFFAOYSA-N 348.189 4.646 0 40 EJAB O=C(Oc1cccc2cccnc12)c1ccc2c3c(cccc13)CC2 4309860 DDPRSEQKNAGHRZ-UHFFFAOYSA-N 325.367 4.706 0 40 EJAB CC(C)OCCCN(Cc1ccccc1F)C(=O)Nc1ccccc1 4555397 KXFBQHAOJMRZKJ-UHFFFAOYSA-N 344.430 4.675 0 40 EJAB Clc1ccc(Cl)c(-c2ccc(CNCc3ccccn3)o2)c1 7365267 FZYUAJLGQUTASK-UHFFFAOYSA-N 333.218 4.938 0 40 EJAB Clc1ccc(-c2noc(CN3CCC[C@@H]3c3ccccc3)n2)cc1 10087866 NUJUGEZRFUPBAL-QGZVFWFLSA-N 339.826 4.727 0 40 EJAB O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(N2CCCCC2)cc1 14398898 DAULMSSNDFPDLH-UHFFFAOYSA-N 348.368 4.948 0 40 EJAB C[C@H](c1cccs1)N(C)Cc1nc(-c2cccc(Cl)c2)no1 16435154 NPOPINBMOFXLBW-LLVKDONJSA-N 333.844 4.645 0 40 EJAB O=C(Nc1ccc(F)c(F)c1)/C(=C/c1ccco1)c1ccccc1 16450714 LKZZEISAVLZJKU-FOWTUZBSSA-N 325.314 4.737 0 40 EJAB c1cnc2[nH]c([C@H]3CCCO3)c(CN3CCC[C@@H]4CCCC[C@H]43)c2c1 19345191 KWOGBUGUEBNTRS-KFKAGJAMSA-N 339.483 4.569 0 40 EJAB COc1cccc(-c2nc3cc(C)c(C)c(Br)c3o2)c1 20156834 WONZJQTXLBSHFF-UHFFFAOYSA-N 332.197 4.883 0 40 EJAB Cc1ccc(Nc2nn(-c3ccccc3)c3c2C(=O)C[C@@H](C)C3)cc1 20671901 PXQPITMCLYNEEE-HNNXBMFYSA-N 331.419 4.689 0 40 EJAB Cc1ccc(C(=O)Nc2ccc(Br)c3cccnc23)s1 27930373 FQYOPGODPOHMQV-UHFFFAOYSA-N 347.237 4.620 0 40 EJAB CC(C)c1noc([C@H](C)Sc2ncc(-c3ccc(F)cc3)o2)n1 32761084 HFARWGOKQGFQAH-JTQLQIEISA-N 333.388 4.840 0 40 EJAB CCCCC[C@H](O)/C=C\[C@@H]1CCC(=O)[C@@H]1CCCCCCC(=O)O 33489695 DPNOTBLPQOITGU-QLCXLFSVSA-N 338.488 4.504 0 40 EJAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)CCC2CCCCC2)c1 40007749 KJSVZHRAPHQFRA-IBGZPJMESA-N 345.483 4.728 0 40 EJAB Cc1ccc2nc(C)c(C(=O)Nc3cccc(Cl)c3Cl)n2c1 71459253 YCJLIOQSNPGNPO-UHFFFAOYSA-N 334.206 4.510 0 40 EJAB CC(C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2C(C)C)cn1 72214858 XTBLHYOCGLBWKN-KRWDZBQOSA-N 347.503 4.777 0 40 EJAB CCN(C(=O)Nc1cccc(N(C)C(C)C)c1)[C@H](C)c1cccnc1 72286346 RQSCJTJYSOPHSN-MRXNPFEDSA-N 340.471 4.541 0 40 EJAB CCc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)cc1 78458254 LWYMHSGJOTUEQG-HUUCEWRRSA-N 345.870 4.856 0 40 EJAB COc1ccc(CCn2c(C)cs/c2=N/c2cccc(C)c2)cc1 105367694 QCNJKQNHHAXBMJ-QZQOTICOSA-N 338.476 4.650 0 40 EJAB C[C@@H]1C[C@@]2(C)[C@H](CC1=O)C[C@@H](C)[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(C)O 118929444 PYTJFKXDHIGLJZ-HGUHQQMHSA-N 332.528 4.841 0 40 EJAB C[C@H](NC(=O)CCCOc1ccccc1)c1ccc2c(c1)CCCC2 222948748 KCASRKIMIYGQIY-KRWDZBQOSA-N 337.463 4.602 0 40 EJAB Cc1cc(=O)oc2c(C)c3oc(C(=O)c4ccccc4)c(C)c3cc12 77352 DEZFKULOSALXLJ-UHFFFAOYSA-N 332.355 4.695 0 40 EJAB CCOC(=O)c1cnc2c(CC)cccc2c1Nc1ccc(F)cc1 131525 ZZEAVNFMCBTZBO-UHFFFAOYSA-N 338.382 4.857 0 40 EJAB O=C1CS[C@H](c2cccc(Cl)c2Cl)N1c1ccc(F)cc1 180249 MQCZYPODTOMEAT-OAHLLOKOSA-N 342.222 4.911 0 40 EJAB CCCCN(CC)C[C@H](CC)Nc1cc(OC)cc2cccnc12 2042618 MSAOVUPSUJPSAC-KRWDZBQOSA-N 329.488 4.556 0 40 EJAB Cc1ccc2[nH]c(C)c(CC(=O)Nc3cccc(C(F)(F)F)c3)c2c1 4815478 VAMAAEBWCOGVHU-UHFFFAOYSA-N 346.352 4.985 0 40 EJAB CCCn1c([C@@H]2CC(=O)N(c3ccc(C)cc3C)C2)nc2ccccc21 4902980 QBNQHIWYGINERX-QGZVFWFLSA-N 347.462 4.584 0 40 EJAB Cc1ccc(C(=O)Nc2ccc(Br)cc2Cl)cc1C 6260145 BHTILIFUBHHXHR-UHFFFAOYSA-N 338.632 4.972 0 40 EJAB O=C(Nc1ccc(OC(F)F)cc1)c1ccc(Cl)cc1Cl 6329202 FIYCACINOWETSO-UHFFFAOYSA-N 332.133 4.847 0 40 EJAB CCc1ccc(CN(Cc2ccco2)C(=O)c2ccc(OC)cc2)cc1 6747415 OCFWEOLIPFNBNF-UHFFFAOYSA-N 349.430 4.693 0 40 EJAB C[C@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1ccc(Cl)cc1Cl 7242257 MAVZNLYDTPWIQW-NSHDSACASA-N 349.261 4.921 0 40 EJAB Cc1csc(N(C(=O)CCc2cccs2)c2ccccc2)n1 7717628 RYISGBHASNHQRP-UHFFFAOYSA-N 328.462 4.811 0 40 EJAB Cc1ccc(Oc2ccc(-c3nc(CC(=O)O)cs3)cc2)cc1 11946788 JTICMYPRUGXFCM-UHFFFAOYSA-N 325.389 4.538 0 40 EJAB Cc1ccc(NC(=O)c2c[nH]c(=S)n2-c2ccc(F)cc2)cc1C 12556272 KKNJLTGQDLEUDF-UHFFFAOYSA-N 341.411 4.543 0 40 EJAB CCc1ccccc1NC(=O)CCc1ncc(-c2ccc(F)cc2)o1 14049921 DTOJJBFKIMWXQC-UHFFFAOYSA-N 338.382 4.614 0 40 EJAB c1ccc(C(Sc2nnc3n2CCCCC3)c2ccccc2)cc1 14200548 DRKNCZGZFBXIMB-UHFFFAOYSA-N 335.476 4.886 0 40 EJAB CCOc1ccccc1NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 14396589 IHYQKVHNBINIAZ-OAHLLOKOSA-N 341.451 4.789 0 40 EJAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1cccnc1Cl 15270020 XGDCBDVZDAVIOU-UHFFFAOYSA-N 338.794 4.566 0 40 EJAB COc1ccc(Cl)cc1NC(=O)CSCc1cccc(C)c1 15419012 DDLFULQEWUELRS-UHFFFAOYSA-N 335.856 4.529 0 40 EJAB Cc1nc(-c2cccs2)c(CC(=O)N[C@H](C)c2ccccc2)s1 15840071 OHTKTFCUHFJIKH-GFCCVEGCSA-N 342.489 4.600 0 40 EJAB Fc1cc(Br)ccc1OCc1nc2ccccc2s1 16655154 OAWQIRYLCMHJIB-UHFFFAOYSA-N 338.201 4.777 0 40 EJAB COc1cc(C)c(CN2CCCCC[C@@H]2c2cc(C)no2)cc1C 19567352 GHRJEOOPWOUHFX-GOSISDBHSA-N 328.456 4.726 0 40 EJAB Cc1cc(C(=O)CCC(=O)N2CCC[C@H]2c2cccs2)c(C)s1 22131895 CQNLRDBIOMKXOK-HNNXBMFYSA-N 347.505 4.753 0 40 EJAB CCOc1cccc2cc([C@@H](C)NC(=O)c3cc(C)oc3C)oc12 32744955 PAPXXXJVOHTSFO-GFCCVEGCSA-N 327.380 4.532 0 40 EJAB NC(=O)/C(=C\c1c(Cl)cccc1Cl)c1nc2ccccc2s1 33628957 VTMCTVDCSCMBSS-CSKARUKUSA-N 349.242 4.629 0 40 EJAB CCSc1ccccc1NC(=O)[C@H](C)Oc1cccc(C)c1C 44948283 KWNARQWYGQRFAK-HNNXBMFYSA-N 329.465 4.821 0 40 EJAB CC(C)(C)OC(=O)N1CCCC[C@@H]1c1ccc(N2CCCCC2)nc1 72216070 QDJLUTOHNRMJPH-QGZVFWFLSA-N 345.487 4.534 0 40 EJAB O=C(N[C@H](c1nccs1)C1CC1)N1CCCCC[C@H]1c1ccco1 74708538 QKUSZDOTIAEREZ-HOCLYGCPSA-N 345.468 4.514 0 40 EJAB C[C@@H](c1nc(-c2cccs2)no1)N1CCC(c2ccccc2)CC1 84667780 QMKMTWBDGYZBLX-AWEZNQCLSA-N 339.464 4.739 0 40 EJAB CC(C)c1ccc([C@H]2CCCCN2c2cc(-n3ccnc3)ncn2)cc1 89893394 VSSUDDKRJJNTHV-LJQANCHMSA-N 347.466 4.517 0 40 EJAB CCOc1ncccc1CN[C@@H](C)c1ccc(OC(C)(C)C)cc1 95943439 BDVXBSJEEMUPHF-HNNXBMFYSA-N 328.456 4.508 0 40 EJAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N[C@H](C)c1ccc(C)cc1 113970451 WDUUUDQORWUHTD-YLJYHZDGSA-N 325.452 4.647 0 40 EJAB Nc1c(-c2ccc(Cl)cc2)c(C(F)(F)F)nn1-c1ccccc1 205857265 TZKYYAMSZUXYEA-UHFFFAOYSA-N 337.732 4.794 0 40 EJAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCc1ccc2ccccc2c1 222797284 RWLZUNQDUKVQOS-NRFANRHFSA-N 347.458 4.930 0 40 EJAB CCCCCNC(=O)c1ccc(OC)c(CSc2ccccc2)c1 224330027 LZRZZQUQMTYNMN-UHFFFAOYSA-N 343.492 4.908 0 40 EJAB Cc1cccc(NC(=S)NCCSCc2ccccc2C)c1 225359683 FUGOXDPKJYBENO-UHFFFAOYSA-N 330.522 4.523 0 40 EJAB COc1cccc(NC(=O)N[C@H](c2ccccc2)c2ccccc2C)c1 225761755 SXFYNZOAMNJFDK-OAQYLSRUSA-N 346.430 4.915 0 40 EJAB CCCC[C@@H](CC)C(=O)Nc1ccc2c(c1)c(OC(C)C)nn2C 257173661 UMHHEEROCGMRPI-CQSZACIVSA-N 331.460 4.515 0 40 EJAB Cc1ccc2cc(C(=O)CCC(=O)Nc3ccccc3F)ccc2c1 408823857 FRAGBMAQMGOLEK-UHFFFAOYSA-N 335.378 4.889 0 40 EJAB Cc1cccc2cc(CN(C(=O)C3CC3)C3CCCC3)c(Cl)nc12 412363 GSBOCFHFXTXTSE-UHFFFAOYSA-N 342.870 4.878 0 40 EJAB Clc1ccc(-n2ncc3c(NC4CCCCCC4)ncnc32)cc1 426485 NSSWFEARTOOUHZ-UHFFFAOYSA-N 341.846 4.604 0 40 EJAB O=C(COc1ccccc1)Nc1ccccc1Sc1ccccc1 564230 MGTJCHMDOWBGOM-UHFFFAOYSA-N 335.428 4.855 0 40 EJAB C[C@H]1CCCC[C@@H]1Nc1nc(-c2ccccc2O)nc2ccccc12 2409187 PSINKMOSZHXTLD-YOEHRIQHSA-N 333.435 4.993 0 40 EJAB CCOc1ccc([C@@H](C)NC(=O)c2ccccc2Cl)cc1OCC 4656352 WWPPLZRVZBRSAO-CYBMUJFWSA-N 347.842 4.628 0 40 EJAB C[C@@H]1CCCC[C@H]1NC(=O)c1ncoc1-c1ccc2ccccc2c1 5002078 DQZCOJYXHSVPFF-RDTXWAMCSA-N 334.419 4.803 0 40 EJAB CCc1ccc(C(=O)[C@H](C)OC(=O)c2ccc3c(c2)CCCC3)cc1 5504665 AOYYQQRSYVICFT-HNNXBMFYSA-N 336.431 4.556 0 40 EJAB Cn1c(SCc2ccc(-c3ccccc3)cc2)nnc1C(F)(F)F 5936417 UHBSSYGXOQOTBG-UHFFFAOYSA-N 349.381 4.793 0 40 EJAB CCc1cc2c(SCc3cn4cccc(C)c4n3)ncnc2s1 7985377 PQJQDNDEVVRAHR-UHFFFAOYSA-N 340.477 4.502 0 40 EJAB Cc1c(C(=O)Nc2cccc3ccccc23)oc2c1[C@H](O)CC(C)(C)C2 13551234 DWTILTPFXNFRAK-QGZVFWFLSA-N 349.430 4.999 0 40 EJAB COc1cc2ccccc2cc1C(=O)N[C@@H](C)CCc1ccccc1 14909944 DCSXHVTUCBWTQS-INIZCTEOSA-N 333.431 4.600 0 40 EJAB CCc1cc(C(=O)Nc2ccc(Br)cc2F)sc1C 15008116 BGUQDHKVXGJAEY-UHFFFAOYSA-N 342.233 4.773 0 40 EJAB O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc(F)cc1F 18835722 KFIVFZAOGLMHIP-UHFFFAOYSA-N 349.340 4.760 0 40 EJAB c1ccc(CN(Cc2ccccc2)Cc2nc3ccccc3[nH]2)cc1 25501776 HFBLGAXNAOFDLM-UHFFFAOYSA-N 327.431 4.765 0 40 EJAB CC1(C)C[C@@H](NCC[C@](C)(c2ccc(Cl)cc2)C2CC2)CCO1 32072503 AEIBINHEKNGXPF-ICSRJNTNSA-N 335.919 4.945 0 40 EJAB Cc1nc(-c2c[nH]c(C(=O)Oc3ccc(Cl)cc3C)c2)cs1 32767364 BUSMAEFXVKNXIG-UHFFFAOYSA-N 332.812 4.628 0 40 EJAB CCCCC[C@H](C)NC(=O)c1sc2ncc(C(C)=O)cc2c1C 32814670 VETPQNPBORZQFH-NSHDSACASA-N 332.469 4.506 0 40 EJAB COc1ccc(NC(=O)COc2ccc(C3CCCCC3)cc2)cc1 39344478 JRMCFNTWIZPBEF-UHFFFAOYSA-N 339.435 4.760 0 40 EJAB Oc1c(Br)cc(Br)cc1Cc1ccccc1 40542431 IBNIVQVHHBIOSC-UHFFFAOYSA-N 342.030 4.508 0 40 EJAB CC[C@H](Oc1ccccc1Cl)C(=O)N[C@H](C)c1ccc(C)cc1C 44904306 PPSBDZMMOCHWHV-QAPCUYQASA-N 345.870 4.992 0 40 EJAB C[C@H](NCc1nnc(-c2ccccc2Cl)o1)c1ccccc1Cl 58342646 GMWUXKTYCOGRER-NSHDSACASA-N 348.233 4.894 0 40 EJAB CN(Cc1ccccn1)C(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 59923786 NMCMMOIYPRWYJU-OAHLLOKOSA-N 342.508 4.566 0 40 EJAB COCc1ccccc1NC(=O)c1ccc(-c2ccsc2)nc1C 69599317 RQUNCHDZTLAKSG-UHFFFAOYSA-N 338.432 4.517 0 40 EJAB COc1ccc(OCCSc2nc3ccccc3n2C(C)C)cc1 76556380 DDJSDZHGUSFOTP-UHFFFAOYSA-N 342.464 4.797 0 40 EJAB c1ccc(-c2csc3nc(C4CC4)nc(NCc4c[nH]cn4)c23)cc1 79063887 NHWZGCJLFMHUEX-UHFFFAOYSA-N 347.447 4.571 0 40 EJAB C[C@@H](C(=O)Nc1cccc2ccccc12)N1CC[C@H](c2ccccc2)C1 84070288 RPHWWOWWZLDZEY-PXNSSMCTSA-N 344.458 4.656 0 40 EJAB C[C@@H](OC(=O)c1cccc2ncccc12)c1nc2ccccc2s1 95348590 RRDINGQAUVLICL-GFCCVEGCSA-N 334.400 4.763 0 40 EJAB Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)cc1Cl 96586392 XPNZFYPFIQRBGL-AWEZNQCLSA-N 343.854 4.933 0 40 EJAB Cc1ccccc1N(C(=O)c1cnc(-c2ccccn2)s1)C(C)C 105582348 AQVIMRYCSPCTHJ-UHFFFAOYSA-N 337.448 4.569 0 40 EJAB CC[C@H](Oc1ccccc1F)C(=O)N[C@@H](CC)c1ccc(C)cc1C 219582786 SSBZCLWTTJLGGP-OALUTQOASA-N 343.442 4.867 0 40 EJAB CCc1ccc([C@H](C)NC(=O)CSCc2cccc(C)c2)cc1 222882717 WWEKHAMLEFLMGP-INIZCTEOSA-N 327.493 4.668 0 40 EJAB CCO[C@@]1(C(=O)Nc2ccc(OCC(C)C)cc2)CCC[C@@H](C)C1 225713191 RHCJJMDJJAKSJB-UZLBHIALSA-N 333.472 4.645 0 40 EJAB CC[C@@H](C)Oc1ccc(NC(=O)[C@](C)(OC)C2CC2)c2ccccc12 225813465 YCWYPVJDDPAVJW-SPLOXXLWSA-N 341.451 4.771 0 40 EJAB COc1cc(OC)cc(-c2nc3cc(-n4cccc4)cc(C)c3o2)c1 226247734 IFGXIUFUJYCHGA-UHFFFAOYSA-N 334.375 4.611 0 40 EJAB Cc1ccccc1NCc1ccccc1OCc1ccc(C(=O)O)cc1 409120799 UIIIAGFKXYIWQL-UHFFFAOYSA-N 347.414 4.884 0 40 EJAB CCC1(CC)CN(C(=O)c2coc3cc(O)ccc23)c2ccccc21 1566659153 XRHOZOZJEOWOKT-UHFFFAOYSA-N 335.403 4.857 0 40 EJAB Cc1cc(C)c2oc(-c3cccc(NC(=O)c4cccnc4)c3)nc2c1 187518 LDHQGROXXXUNHO-UHFFFAOYSA-N 343.386 4.759 0 40 EJAB Cc1ccc(-c2nnc(NC(=O)c3ccc4ccccc4c3)s2)cc1 189259 XVXMVBIZBZOLHT-UHFFFAOYSA-N 345.427 4.919 0 40 EJAB COc1cc(NC(=O)c2ccccc2-c2ccccc2)cc(OC)c1 382746 NYAMLSNPYQRRTB-UHFFFAOYSA-N 333.387 4.623 0 40 EJAB CCc1cc(=O)oc2cc(OCc3ccc(OC)cc3)c(Cl)cc12 488462 JNDKFGZDELQJCE-UHFFFAOYSA-N 344.794 4.596 0 40 EJAB Cc1ccc(C(=O)n2ccc(-c3cnc(-c4ccccc4)s3)n2)cc1 1388996 POIMOLVEXZWRSH-UHFFFAOYSA-N 345.427 4.671 0 40 EJAB Cc1[nH]c2ccccc2c1CCNc1ncnc2sc(C)c(C)c12 1425897 JPNOHNUKWHZDNK-UHFFFAOYSA-N 336.464 4.752 0 40 EJAB CSCc1cc(Sc2cccc(C(F)(F)F)c2)nc(C)n1 3105272 RGMRGSPJFWUHSP-UHFFFAOYSA-N 330.400 4.818 0 40 EJAB Cc1ccc(Cl)cc1NC(=O)CSc1nc2ccccc2o1 3151105 UCBTUHCCOKTVSP-UHFFFAOYSA-N 332.812 4.520 0 40 EJAB CCCCCCN(C(=O)Nc1ccc(Cl)cc1)C1=NCCS1 3227240 QVAYGNZVBOAZNQ-UHFFFAOYSA-N 339.892 4.857 0 40 EJAB O=C(OCc1ccc(Br)cc1)c1ccc(F)cc1Cl 3228024 OSMGNZCANHIDGK-UHFFFAOYSA-N 343.579 4.599 0 40 EJAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4C[C@@H](C)C(=O)[C@@]4(C)CC[C@H]32)C1 3843995 KXXNUNSCEDGUDA-YXHMSEJRSA-N 346.511 4.776 0 40 EJAB Cc1nc2ccc(NC(=O)CC34CC5CC(CC(C5)C3)C4)cc2nc1C 4698124 VEEFHWDHKYTYRI-UHFFFAOYSA-N 349.478 4.792 0 40 EJAB CCCC(=O)N(Cc1ccccc1)c1nc2cc(OC)ccc2s1 5299699 DEHSPKSBCHDGHQ-UHFFFAOYSA-N 340.448 4.638 0 40 EJAB CC(C)c1ccc2c(c1)C(c1cccs1)=NNC(c1ccncc1)=N2 5625163 OKRHXJCXUUMGBA-UHFFFAOYSA-N 346.459 4.700 0 40 EJAB O=C(Nc1nc2ccc(F)cc2s1)c1ccc(Cl)cc1Cl 6926759 JAKHFTVVHPAUJS-UHFFFAOYSA-N 341.194 4.995 0 40 EJAB O=C(CN1CCC[C@@H]1c1ccccc1)Nc1ccc(Cl)cc1Cl 10311204 IKENZHSJKJBYQZ-QGZVFWFLSA-N 349.261 4.769 0 40 EJAB O=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)[C@@H]1CC=CCC1 10691241 IGYIAWKLXSLBBW-UYAOXDASSA-N 344.458 4.772 0 40 EJAB O=C(NC1CCCCCC1)c1cc(-c2ccccn2)nc2ccccc12 12511764 RCQCXXIRFQWMCB-UHFFFAOYSA-N 345.446 4.749 0 40 EJAB Cc1cc(SCC(=O)c2ccc(F)c(F)c2)nc2ccccc12 12541881 NQVOCXFLDITDLK-UHFFFAOYSA-N 329.371 4.796 0 40 EJAB Cc1cccc2nc(C(=O)N(Cc3ccc(C(C)C)cc3)C3CC3)cn12 12547990 XESWUZZHCOCGLK-UHFFFAOYSA-N 347.462 4.571 0 40 EJAB CCOc1cc2ccccc2cc1C(=O)Nc1ccc2oc(C)nc2c1 12922626 ZOFLWHVAJANCDV-UHFFFAOYSA-N 346.386 4.940 0 40 EJAB C[C@H]1CC[C@@](C)(C(=O)N(C)C(=O)[C@@]2(C)CC[C@@H](C)C2(C)C)C1(C)C 13405274 BHUKNCSDHSSDAL-RWFYYTQISA-N 335.532 4.896 0 40 EJAB biogenic C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1c2ccccc2C[C@H]1C 13646842 DNHJSLMRLCIQGI-HZPDHXFCSA-N 337.463 4.729 0 40 EJAB Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(F)cc3Cl)cc2)n1 15585625 VZMFMLJUSMUBQE-UHFFFAOYSA-N 343.789 4.534 0 40 EJAB CCc1ccc(Nc2nc(-c3ccc4c(c3)CC(=O)N4)cs2)cc1 25050653 UXVZOGDNMXLYTN-UHFFFAOYSA-N 335.432 4.611 0 40 EJAB CCN(CC)c1ccc(NC(=O)Nc2ccc(OC)cc2C)c(C)c1 57405867 QDJHLDUYSBGGEW-UHFFFAOYSA-N 341.455 4.802 0 40 EJAB CCOc1ccccc1CNC(=O)/C(=C/c1ccco1)c1ccccc1 216466644 DKRGZAGSDHEINM-HMMYKYKNSA-N 347.414 4.535 0 40 EJAB Cc1ccccc1N1CC(Nc2c(Cl)cccc2Cl)=CC1=O 217425142 GVJAYVHTDQZOEW-UHFFFAOYSA-N 333.218 4.644 0 40 EJAB COc1cccc(C(=O)N[C@@H](C)c2cc(C(C)C)c(OC)cc2C)c1 223265796 ZUUULIAGQKGPCP-HNNXBMFYSA-N 341.451 4.627 0 40 EJAB COc1cc(C)c(C(=O)N(C)Cc2ccc(C)cc2)cc1C(C)C 225663967 MUYRVMJJPMTDTB-UHFFFAOYSA-N 325.452 4.708 0 40 EJAB CCn1c(-c2ccccc2)c(C)s/c1=N\C(=O)c1ccc(C)cc1 408562123 MWUQZAGGAXJGLN-MRCUWXFGSA-N 336.460 4.594 0 40 EJAB Clc1ccc(OCCCOc2ccc(Br)cc2)cc1 1652435877 DJAPVTQMACUJBL-UHFFFAOYSA-N 341.632 4.950 0 40 EJAB Cc1oc2cc(OC(=O)c3ccco3)ccc2c(=O)c1-c1ccccc1 490859 CQSGCTDOZSHCTN-UHFFFAOYSA-N 346.338 4.581 0 40 EJAB biogenic CC(C)c1cc(Br)cc(C(C)C)c1OCCN(C)C 1734062 KWTXXTQYZOIYHP-UHFFFAOYSA-N 328.294 4.636 0 40 EJAB CSc1nc2ccc(NC(=O)/C=C/c3ccc(F)cc3)cc2s1 3336832 ZPYBNNRTKDKDGA-RUDMXATFSA-N 344.436 4.809 0 40 EJAB CCCC[C@]1(Cl)C(=O)c2cccc3c4ccccc4n(c23)C1=O 3957480 FZTYISGBZVKSQQ-IBGZPJMESA-N 325.795 4.799 0 40 EJAB O=C(Nc1ccccc1)O[C@@H]1[C@H]2CCC[C@@H]1[C@H](N1CCCCC1)CC2 4365310 LURDPRCEUSFKGO-MTFMMBMASA-N 342.483 4.668 0 40 EJAB CCc1nc(Nc2cc(OC)ccc2OC)c2oc3ccccc3c2n1 5156475 PMUIGORJGKPEEU-UHFFFAOYSA-N 349.390 4.699 0 40 EJAB O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)c1ccccc1F 5392317 RODAYUIMLKCCSA-UHFFFAOYSA-N 346.814 4.779 0 40 EJAB COc1ccc(Nc2cc(Nc3ccc(C)c(Cl)c3)ncn2)cc1 6793271 KDHJLFCBNZARTB-UHFFFAOYSA-N 340.814 4.934 0 40 EJAB O=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)c1ccccc1F 10119997 LDFAKBMSOMEUEG-UHFFFAOYSA-N 346.361 4.810 0 40 EJAB c1ccc(COc2cccc(CN3CCc4ccccc4C3)c2)cc1 12489690 LDYANYNPRZWVIX-UHFFFAOYSA-N 329.443 4.824 0 40 EJAB CC(C)(C)C1CCC(C(=O)Nc2cc(C(=O)O)ccc2Cl)CC1 12791165 XMSVADGRUSNWEF-UHFFFAOYSA-N 337.847 4.829 0 40 EJAB O=C(c1cc2ccccc2[nH]1)N1CCC[C@@H]1c1nc2ccccc2s1 14014764 XFMNNLXXZHATIW-QGZVFWFLSA-N 347.443 4.755 0 40 EJAB Cc1ccc(C)c(NC(=S)Nc2c(F)c(F)cc(F)c2F)c1 17067203 BACYOWGUMQIXMI-UHFFFAOYSA-N 328.334 4.669 0 40 EJAB Cc1nc(/C=C/C(=O)Nc2nc(-c3ccccc3C)cs2)cs1 32561345 XUKLHCHNYWFVOV-BQYQJAHWSA-N 341.461 4.535 0 40 EJAB CCOc1ccc([C@@H](C)NC(=O)N(C)[C@H](C)c2ccc(F)cc2)cc1 32889622 ATDZSBZISWKXQF-HUUCEWRRSA-N 344.430 4.688 0 40 EJAB CC(C)Oc1ccc(CNC(=O)c2cc(Cl)ccc2Cl)cc1 58702414 KFSXPUAFTLGCMN-UHFFFAOYSA-N 338.234 4.711 0 40 EJAB CCOCc1ccccc1NC(=O)N(Cc1ccc(C)o1)C(C)C 69565041 VNCWRNWUNSXTDE-UHFFFAOYSA-N 330.428 4.567 0 40 EJAB c1ccc(CN2CCC[C@@H]2c2cccnc2N2CCCCCC2)cc1 72216691 KQIIZZICHODSKM-OAQYLSRUSA-N 335.495 4.799 0 40 EJAB Fc1ccc(-c2nccnc2[C@H]2CCCN(C3CCCCC3)C2)cc1 72358333 WARDIGCXGGAHAL-KRWDZBQOSA-N 339.458 4.795 0 40 EJAB C[C@H](Nc1ccc(COC2CCCC2)cc1)c1nc(C2CC2)no1 96417574 WFUJPNFOTBJEQB-ZDUSSCGKSA-N 327.428 4.579 0 40 EJAB COc1ccc(CSCC(=O)Nc2ccc(C(C)C)cc2)cc1 113935246 RANDDQGSVZWBEU-UHFFFAOYSA-N 329.465 4.691 0 40 EJAB CO[C@]1(C(=O)Nc2ccc(OC3CCCC3)c(C)c2)CCC[C@H](C)C1 225637835 YWPOWWWMNNAXMW-YCRPNKLZSA-N 345.483 4.850 0 40 EJAB CCCN1C(=O)/C(=C\c2cccc(Br)c2)c2ccccc21 409119567 WYNVCJIAOLJZHB-VBKFSLOCSA-N 342.236 4.746 0 40 EJAB CCc1nnc(Oc2cnc3c(Cl)c(Cl)ccc3c2)nc1CC 1651209466 XLQONKPZRVEEOV-UHFFFAOYSA-N 349.221 4.644 0 40 EJAB Cc1ccc(Oc2ccc(F)cc2OC[C@H]2CCCN(C)C2)cc1 2037873284 SMZKTTYAQSVMKJ-INIZCTEOSA-N 329.415 4.647 0 40 EJAB COc1cccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c1 68879 FKTXGMAXLGSRQV-UHFFFAOYSA-N 344.823 4.724 0 40 EJAB Cn1c2c(c3ccccc31)C(C)(C)Cc1c-2cnn1-c1ccccc1 188867 VQSCMGVHRADPKV-UHFFFAOYSA-N 327.431 4.865 0 40 EJAB CCOc1ccc([C@H](C)NC(=O)c2ccccc2Cl)cc1OCC 356802 WWPPLZRVZBRSAO-ZDUSSCGKSA-N 347.842 4.628 0 40 EJAB Cc1nnc(SCc2ccccc2Cl)n1CCc1ccccc1 420777 RZTBFCQZOLFNKE-UHFFFAOYSA-N 343.883 4.775 0 40 EJAB Clc1cccc(-c2nn3c(-c4ccccc4Cl)nnc3s2)c1 523622 HMCHXVGEKZJUQI-UHFFFAOYSA-N 347.230 4.827 0 40 EJAB COc1cccc(C[C@H](C(=O)c2ccc(O)cc2)c2ccccc2)c1 1699179 ZOIWZDVKQPFFKH-NRFANRHFSA-N 332.399 4.610 0 40 EJAB O=C(Cc1cccc(Br)c1)c1ccccc1C(F)(F)F 2393032 WEPUGNFTQXIPJL-UHFFFAOYSA-N 343.142 4.893 0 40 EJAB CC(C)(C)NC(=O)CCN1c2ccccc2Sc2ccccc21 3278477 VGDTZRJFOVSDGJ-UHFFFAOYSA-N 326.465 4.594 0 40 EJAB COc1cc(OC)c(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1Cl 5938357 VQBBMOOXRCOCMP-UHFFFAOYSA-N 349.858 4.512 0 40 EJAB C[C@H]1CSC(N(C(=O)[C@@H]2CC=CCC2)c2ccc(Cl)cc2)=N1 6880399 DGZBAAFPOXFBTQ-QWHCGFSZSA-N 334.872 4.521 0 40 EJAB c1ccc(-n2c(SCc3nc4ccccc4o3)nnc2C2CC2)cc1 7719499 AWGKDNRDSSNLQU-UHFFFAOYSA-N 348.431 4.578 0 40 EJAB CC[C@@H](C(=O)Nc1ccc(NC(=O)c2ccco2)cc1)c1ccccc1 10870385 RMYVAPVQZCOXDB-GOSISDBHSA-N 348.402 4.664 0 40 EJAB Cc1cccnc1NC(=O)c1sc(-c2ccc(Cl)cc2)nc1C 13693132 QOIUZXCGSCXYTD-UHFFFAOYSA-N 343.839 4.728 0 40 EJAB O=C(COc1ccccc1-c1ccccc1)N1CCC[C@@H]2CCCC[C@H]21 14598353 DGIQSSMDGHEVFU-PZJWPPBQSA-N 349.474 4.914 0 40 EJAB CC(=O)c1cccc(NCc2nc(-c3ccc(C(C)C)cc3)no2)c1 23003987 UJVWKDWYNMYOFB-UHFFFAOYSA-N 335.407 4.675 0 40 EJAB COc1ccc2c(c1)CCCN2C(=O)c1cc(SC)ccc1Cl 24874673 FRHHUBCGDSLDQC-UHFFFAOYSA-N 347.867 4.664 0 40 EJAB CCc1ccccc1Nc1nnc(SCCc2ccncc2)s1 24984995 IUVGTYJMBWSCPM-UHFFFAOYSA-N 342.493 4.574 0 40 EJAB COc1cccc(N(Cc2cccs2)C(=O)c2ccc(C)cc2)c1 27795633 WUUIOWCNGRLQFN-UHFFFAOYSA-N 337.444 4.912 0 40 EJAB O=C(Cc1cccc2ccccc12)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 32895206 BNWPFGUDAYPKHR-HZPDHXFCSA-N 335.369 4.620 0 40 EJAB Cn1c(-c2ccccc2)c([C@@H](CN)c2ccccc2)c2ccccc21 32928677 BGDWZIGPBIVRST-FQEVSTJZSA-N 326.443 4.936 0 40 EJAB Cc1ccc(COc2ccc(C(=S)N3CCC(C)CC3)cc2)cc1 33712693 OWQNPLUWMIALSM-UHFFFAOYSA-N 339.504 4.981 0 40 EJAB CSc1ccc(Cl)c(C(=O)NCc2nc3ccccc3s2)c1 36835642 ZHDCICWHTIIQMV-UHFFFAOYSA-N 348.880 4.602 0 40 EJAB O=C(NCC1(c2cccs2)CC1)Nc1cccc(C(F)(F)F)c1 38593172 XHZAHBQJVQJKPS-UHFFFAOYSA-N 340.370 4.620 0 40 EJAB CSc1ccc(CN(C)C(=O)c2oc3c(F)cccc3c2C)cc1 39973519 GELGIIAKRNVWML-UHFFFAOYSA-N 343.423 4.874 0 40 EJAB Cc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3Cl)n[nH]2)cc1 57477043 WIUOHEKDLMZURT-UHFFFAOYSA-N 346.217 4.944 0 40 EJAB O=[S@](CCCOc1ccc(F)cc1)Cc1cccc2ccccc12 58132367 NLPCAHOKDQEQKW-DEOSSOPVSA-N 342.435 4.697 0 40 EJAB CCCN1CC=C(c2nc3ccc(Br)cc3s2)CC1 73638882 YWHDYGRBZBUXTH-UHFFFAOYSA-N 337.286 4.558 0 40 EJAB O=C(N[C@H]1C[C@H]1c1ccccc1)C1(c2cccc(F)c2)CCCCC1 89828041 NSOCRLVIKLHWEK-PMACEKPBSA-N 337.438 4.700 0 40 EJAB CC[C@@H](NC(=O)Nc1cccc(-c2nccs2)c1)c1nccs1 96415830 BRVZDWDWFKQNBW-CYBMUJFWSA-N 344.465 4.539 0 40 EJAB C[C@@H](Nc1ccc(COC2CCCC2)cc1)c1nc(C2CC2)no1 96417575 WFUJPNFOTBJEQB-CYBMUJFWSA-N 327.428 4.579 0 40 EJAB O=C1CCCCN1Cc1cccc(NCc2ccc(Cl)s2)c1 96482826 LZDFFARWVWLPJU-UHFFFAOYSA-N 334.872 4.526 0 40 EJAB COC1(OC)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)CCC[C@@]32O)C1 118915066 LARNLKQGNRQTPJ-WCDFTICCSA-N 336.516 4.523 0 40 EJAB CCOc1ccc(N(C(=O)OC(C)(C)C)c2cc(C)ccn2)cc1 199716313 NIVKFPYXGTVIKF-UHFFFAOYSA-N 328.412 4.862 0 40 EJAB COc1ccc2nc(Nc3cccc(OC(F)(F)F)c3)sc2c1 199721918 MOYUKRKZMNGDKX-UHFFFAOYSA-N 340.326 4.947 0 40 EJAB Cc1cccc(OCCNC(=O)c2cc3c(ccc4ccccc43)o2)c1 224019690 PVVHRRXLXOECKG-UHFFFAOYSA-N 345.398 4.703 0 40 EJAB Cc1c(N)cccc1NC(=O)c1ccc(-c2ccc(F)c(Cl)c2)o1 226764628 YGANDKLWWFGPAL-UHFFFAOYSA-N 344.773 4.882 0 40 EJAB CCCCOc1ccc(/C=C2\C(=O)Nc3ccccc32)cc1OCC 408530544 JQYCSBDQMYTEQW-LGMDPLHJSA-N 337.419 4.757 0 40 EJAB Cn1cnc2c(-c3ccc(C=O)cc3)ccc(-c3ccc(C=O)cc3)c21 1975517936 CUHIVQNQOVXTRE-UHFFFAOYSA-N 340.382 4.532 0 40 EJAB CCOC(=O)c1c(Cl)nnc(-c2ccccc2)c1-c1ccccc1 151099 LFVRLXRBMMFAGL-UHFFFAOYSA-N 338.794 4.641 0 40 EJAB O=C(O)c1ccccc1C(=O)c1sc(Cl)c(Cl)c1Cl 495497 LMUZDDUDVUCJON-UHFFFAOYSA-N 335.595 4.638 0 40 EJAB Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(C)c2)c(C)c1 806932 JWNFHWXCGPAICG-UHFFFAOYSA-N 348.402 4.709 0 40 EJAB Clc1cccc(-c2cnn(-c3cccc(Br)c3)c2)c1 1391985 DVCRUHYBHLSCSL-UHFFFAOYSA-N 333.616 4.955 0 40 EJAB CC[C@@]1(CC(=O)O)OC[C@H](Cc2ccccc2)c2c1[nH]c1ccccc21 1851370 BUUODSZYUAZDIF-AOMKIAJQSA-N 349.430 4.604 0 40 EJAB in-man CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)N(C)Cc1cccc(F)c1 3350227 OHCCMVJVEZHNJA-CVEARBPZSA-N 342.458 4.798 0 40 EJAB CCO[C@@]12c3ccccc3O[C@H](c3ccccc3)[C@@H]1C2(Cl)Cl 4147597 TUHXFTQSJNJHPZ-IKGGRYGDSA-N 335.230 4.856 0 40 EJAB CSc1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1 4517603 QUFFDNCWUAQMMX-UHFFFAOYSA-N 326.446 4.784 0 40 EJAB CCN(c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1)C(C)C 5200411 FZTPAOWBOZHQLK-UHFFFAOYSA-N 330.859 4.756 0 40 EJAB CC(C)c1ccc(-c2nc(COC(=O)c3ccncc3)cs2)cc1 5750930 JMJWHERYVLRKDJ-UHFFFAOYSA-N 338.432 4.686 0 40 EJAB C[C@H](SC1=Nc2ccccc2CS1)C(=O)N(C)c1ccccc1 6588222 VVTXXAGVBAJBHW-ZDUSSCGKSA-N 342.489 4.706 0 40 EJAB Cc1nc(-c2cccc(Cl)c2)sc1C(=O)NCc1ccccc1 8060380 LBUCQHYBHPKDJH-UHFFFAOYSA-N 342.851 4.702 0 40 EJAB O=C(OCc1nc2ccccc2o1)C(c1ccccc1)c1ccccc1 8500485 LACXRXQHQRXIER-UHFFFAOYSA-N 343.382 4.703 0 40 EJAB Cc1nc(-c2ccc(Oc3ccc(F)cc3)cc2)sc1C(=O)O 11861324 IPPIALGRNGQBTH-UHFFFAOYSA-N 329.352 4.748 0 40 EJAB COc1cc(OC)c2c(-c3cccs3)cc(C(F)(F)F)nc2c1 12821479 IDWPYODLTVUGOD-UHFFFAOYSA-N 339.338 4.999 0 40 EJAB CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](NC(=O)Cc1cccc(C(F)(F)F)c1)C2 12910620 FFEBWNABOOCVNZ-XUWXXGDYSA-N 339.401 4.579 0 40 EJAB CCCOc1ccc(NC(=O)c2ccccc2Cl)c2cccnc12 15840903 OWHONSITJRHPHZ-UHFFFAOYSA-N 340.810 4.929 0 40 EJAB Cc1c(C(=O)c2ccccc2)oc2ccc(NC(=O)C(C)(C)C)cc12 16993230 KZNNYZPLDDDLHH-UHFFFAOYSA-N 335.403 4.957 0 40 EJAB biogenic CC[C@@H](NC(=O)/C=C/c1ccc(Cl)cc1)c1ccc(OC)cc1 20107095 AHMSBJCLWKXPQM-QPEODSHDSA-N 329.827 4.629 0 40 EJAB CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)CCc1ccccc1 20482026 SKDXSQXRCGCPFN-MAUKXSAKSA-N 345.870 4.635 0 40 EJAB CCOc1cc2c(cc1OCC)[C@@H](c1ccc3ccccc3c1)NCC2 20506936 MNKDJXAYPKSZHU-HSZRJFAPSA-N 347.458 4.872 0 40 EJAB O=C1CCc2cc(C(=O)CSc3ccc4ccccc4c3)ccc2N1 21338051 MMFFVXAZQPDEHX-UHFFFAOYSA-N 347.439 4.700 0 40 EJAB COc1ccccc1[C@H](C)N(C)C(=O)c1cc2c(s1)CCCCC2 32796610 GSEFFYWNCZKTHC-AWEZNQCLSA-N 343.492 4.859 0 40 EJAB c1ccc(Cn2ccnc2SCc2coc(-c3ccccc3)n2)cc1 36800332 YLUCQALTWXPETC-UHFFFAOYSA-N 347.443 4.879 0 40 EJAB CCOc1ccccc1-c1noc(CNc2ccc(C(C)C)cc2)n1 40032405 WSUHCZGGKVDXDN-UHFFFAOYSA-N 337.423 4.871 0 40 EJAB Cc1ccccc1N1C(=O)/C(=C/c2cccc3ccccc23)N=C1S 48236105 PVSJSSHTPYFRLP-AQTBWJFISA-N 344.439 4.822 0 40 EJAB CC(C)c1ccccc1NC(=O)N(Cc1ccccc1)Cc1cc[nH]n1 70036616 KEDXWJLRCPXXSC-UHFFFAOYSA-N 348.450 4.767 0 40 EJAB Cc1nnc([C@@H](C)Nc2ccc(Oc3cccc4cccnc34)cc2)o1 71902627 RMOBJVLEEAYKTB-CYBMUJFWSA-N 346.390 4.892 0 40 EJAB O=C(CCc1ccc2ccccc2c1)N1CCC[C@H]1c1ccc(O)cc1 78714372 LPEZRTJBPKUSTN-QFIPXVFZSA-N 345.442 4.842 0 40 EJAB CCCCC(=O)Nc1oc2c(C)cccc2c(=O)c1-c1ccccc1 101192209 WRAHHNDOWCTZDT-UHFFFAOYSA-N 335.403 4.897 0 40 EJAB CC(C)c1ccc(C[C@H]2C(=O)Nc3ccc(Br)cc32)cc1 101727991 POJVECGXSWVUHE-MRXNPFEDSA-N 344.252 4.851 0 40 EJAB Cc1ccc([C@H]2C=C(c3ccc(Cl)cc3)Nc3ncnn32)c(C)c1 102047025 NSUXFCGVXBSCFF-GOSISDBHSA-N 336.826 4.604 0 40 EJAB COc1ccc([C@H]2CCCCN(C(=O)Nc3cccs3)C2)cc1 206886762 SJUYVJRVXPKNJW-HNNXBMFYSA-N 330.453 4.558 0 40 EJAB Cc1cc(C)cc(O[C@@H](C)C(=O)NCc2ccc3ccccc3c2)c1 222801296 YMLFOGWQCWBMCT-KRWDZBQOSA-N 333.431 4.540 0 40 EJAB CCCCc1ccc(NC(=O)CCc2ccc(OC)c(C)c2)cc1 223749117 CJLAYLBXMNRXTB-UHFFFAOYSA-N 325.452 4.918 0 40 EJAB CCc1ccc(CC)c(CNC(=O)[C@@H](C)Sc2ccccc2)c1 223849103 CCPKUQQPAYEQGE-OAHLLOKOSA-N 327.493 4.608 0 40 EJAB CCCCO[C@H](Cc1ccccc1Sc1ccccc1)C(=O)O 225132698 NWDYKRNYDCGFMV-QGZVFWFLSA-N 330.449 4.650 0 40 EJAB C[C@H]1CCC[C@H](C)N1C(=O)c1ccc(-c2ccc(Cl)cc2N)o1 226304820 QJWCBXXFOHRGDJ-RYUDHWBXSA-N 332.831 4.585 0 40 EJAB O=C(c1ccc(Br)c(Cl)c1)C(Cl)(Cl)Cl 306498232 SYJFMUCLCFYBOS-UHFFFAOYSA-N 336.827 4.655 0 40 EJAB CC1(C)CC[C@@H](NC(=O)CCc2nccs2)[C@H](c2ccccc2)C1 1132684060 ZMDILBNJBJAKJE-DLBZAZTESA-N 342.508 4.554 0 40 EJAB COc1ccc(-c2cc(C(F)(F)F)nc(NC3CCCC3)n2)cc1 213227 XFXAGHQUBVVCHM-UHFFFAOYSA-N 337.345 4.526 0 40 EJAB O=C1OC(/C=C/c2ccccc2)=N/C1=C/c1c(O)ccc2ccccc12 1735719 OPPMZBLNYSANML-NIEGGPFSSA-N 341.366 4.555 0 40 EJAB O=C(Nc1ccccc1SC(=O)c1ccccc1)c1ccccc1 1761192 SPSSXOLIURQSMF-UHFFFAOYSA-N 333.412 4.871 0 40 EJAB biogenic Cc1ccc(N2C(=O)S/C(=C\c3ccc(Cl)cc3)C2=O)cc1 3137310 UBEMMTUYCBYJET-GDNBJRDFSA-N 329.808 4.889 0 40 EJAB C[C@@H]1CCC[C@@H](C)N1C(=O)COc1cccc(Oc2ccccc2)c1 3165447 STBJUXCACVGHIK-IAGOWNOFSA-N 339.435 4.647 0 40 EJAB O=C(Nc1cc(Cl)ccc1Cl)c1cc(-c2ccccc2O)on1 3908567 FMPUXCXKIRTFKB-UHFFFAOYSA-N 349.173 4.606 0 40 EJAB Cc1cc(C)cc(COn2c(-c3ccccc3)nc3ccccc32)c1 4023957 ZNRGCZMJIGSRAW-UHFFFAOYSA-N 328.415 4.949 0 40 EJAB C[C@@H](COc1ccc(C(C)(C)C)cc1)OC(=O)Cc1ccccc1 5763003 BNHJDUAPNYLAGA-INIZCTEOSA-N 326.436 4.537 0 40 EJAB O=C1OC(C23CC4CC(CC(C4)C2)C3)=N/C1=C\c1ccccc1Cl 5869225 DJXMVDRQNLKEAF-IUXPMGMMSA-N 341.838 4.853 0 40 EJAB Cc1ccc(CN2C(=O)c3ccccc3N[C@H]2c2csc(C)n2)cc1 7087964 UYEOHMWOUFHZDI-LJQANCHMSA-N 349.459 4.527 0 40 EJAB COc1cc(OC)c(OC)cc1/C=C/c1nc2cc(Cl)ccc2o1 8321219 AWJLCZXNGLMKMK-QPJJXVBHSA-N 345.782 4.677 0 40 EJAB CCCCc1ccc(Nc2cc(C)nc(-n3nc(C)cc3C)n2)cc1 8598684 KDGHVMIYHIGTQT-UHFFFAOYSA-N 335.455 4.674 0 40 EJAB CN(Cc1ccco1)C(=O)Cn1c(-c2ccccc2)cc2ccccc21 9157790 FXVHYQBOFNSBBC-UHFFFAOYSA-N 344.414 4.560 0 40 EJAB CSc1ccc(NC(=O)COc2cc(C)ccc2C(C)C)cc1 11231217 CKSYVNAIUMNBLT-UHFFFAOYSA-N 329.465 4.858 0 40 EJAB CCc1ccc(C(=O)NCc2ccc(-c3csc(C)n3)s2)cc1 12877855 OMYHSBDZCBUVEM-UHFFFAOYSA-N 342.489 4.672 0 40 EJAB COc1ccc(-c2nnc([C@@H](C)Sc3ncccc3Cl)o2)cc1 12997993 OPCKZZNOGCMKIP-SNVBAGLBSA-N 347.827 4.647 0 40 EJAB O=C(CSc1ccccc1)Nc1ccccc1SC(F)F 14603154 ZRSVFLPOYGPJQP-UHFFFAOYSA-N 325.405 4.732 0 40 EJAB c1cnc2[nH]c([C@H]3CCCO3)c(CN3CCC[C@H]4CCCC[C@H]43)c2c1 19345195 KWOGBUGUEBNTRS-ATZDWAIDSA-N 339.483 4.569 0 40 EJAB CCOCCOc1ccc(CNc2cccc(OC(C)C)c2)cc1 19737510 AOVIDBXEQAVTGU-UHFFFAOYSA-N 329.440 4.501 0 40 EJAB CC[C@H](NC(=O)c1ccccc1Cl)c1ccccc1OC(F)F 31756501 SRWNFZRSPRNNGZ-AWEZNQCLSA-N 339.769 4.823 0 40 EJAB Fc1ccc(CN2CC[C@H](c3nc4cc(Cl)ccc4o3)C2)cc1F 35442902 QDBLVVLBBSTXTI-LBPRGKRZSA-N 348.780 4.749 0 40 EJAB biogenic,in-vitro CC[C@H](NC(=O)[C@H](C)SCc1ccccc1)c1ccc(C)cc1 38755450 WHAFVUKYCVORCJ-LPHOPBHVSA-N 327.493 4.884 0 40 EJAB CC(C)(C)c1nc2cc(NC(=O)c3ccc(O)c(Cl)c3)ccc2o1 40087425 CTHSUMDHIQXGRE-UHFFFAOYSA-N 344.798 4.737 0 40 EJAB CCC[C@H](CNC(=O)c1cc(-c2ccccc2)on1)c1ccccc1 72427523 VHPBTQMQLQHJRN-GOSISDBHSA-N 334.419 4.655 0 40 EJAB CCOc1ccc(C(=O)N[C@@H](C)c2ccc(CC)cc2)cc1OCC 78458655 WZISKLYMQPCOOW-HNNXBMFYSA-N 341.451 4.537 0 40 EJAB COc1ccc2c(-c3ccccc3)c(C(=O)N[C@H](C)C(C)C)oc2c1 84410157 SMYUCWGMHSGKSY-CQSZACIVSA-N 337.419 4.883 0 40 EJAB Oc1nc(/C(Cl)=C\c2cnc3ccsc3c2)nc2ccccc12 95437122 DLQYWHPBBJUJAL-KPKJPENVSA-N 339.807 4.682 0 40 EJAB Cc1ccc2ccccc2c1[C@@H](O)c1cccc(Br)c1 161004732 VYGQSEVOYNEPOU-SFHVURJKSA-N 327.221 4.992 0 40 EJAB CC1=C2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H]3CC[C@]4(C)O)[C@]2(C)Cc2cnoc21 205482493 AAHNYFCTPITCHA-HYRLYWDTSA-N 341.495 4.998 0 40 EJAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCc2ccccc21 222927499 BEICBUBDVKJVRI-HXUWFJFHSA-N 337.463 4.731 0 40 EJAB CCc1ccc(CCC(=O)N[C@@H](CC)c2ccc(OC)c(C)c2)cc1 223997667 HSVZXCBPYZJEJG-FQEVSTJZSA-N 339.479 4.766 0 40 EJAB CCc1ccc2oc(C3=CCN(Cc4ccc(C)cc4)CC3)nc2c1 226251245 VNAJZZPLOYQBNA-UHFFFAOYSA-N 332.447 4.988 0 40 EJAB CC(C)Oc1cccc(NC(=O)CSCc2cccc(Cl)c2)c1 408576274 RTPDEXUMIREFSF-UHFFFAOYSA-N 349.883 4.999 0 40 EJAB Cc1cc(OCc2ccccc2F)c2c3c(c(=O)oc2c1)CCCC3 45091 DWTJDVDYEDLDTB-UHFFFAOYSA-N 338.378 4.698 0 40 EJAB COc1ccc2c(C)c(-c3ccc(Br)cc3)c(=O)oc2c1 57975 HGRLHNOBVPOBFL-UHFFFAOYSA-N 345.192 4.540 0 40 EJAB biogenic C[C@]1(C(=O)Nc2cccnc2)CC2c3ccccc3C1c1ccccc12 305998 DYNRYPMIUNVZHC-BBHUYCHWSA-N 340.426 4.708 0 40 EJAB Cc1ccc(NC(=O)N(C2=NC[C@H](C)S2)c2cccc(C)c2)cc1 497070 BPPNJBBMEMJFRU-HNNXBMFYSA-N 339.464 4.833 0 40 EJAB Oc1ccccc1-c1sc(-c2ccccc2)c(O)[n+]1-c1ccccc1 1620101 RIXGWUCSULWELK-UHFFFAOYSA-O 346.431 4.770 0 40 EJAB COc1cccc(-c2nc(-c3ccc(OC)cc3OC)cs2)c1 3325103 DJUSVIOIEMWPHI-UHFFFAOYSA-N 327.405 4.503 0 40 EJAB O=C(Nc1ccccc1)N(C(=O)[C@H]1Cc2ccccc21)c1ccccc1 3848173 NVLMDPFYFFQQRT-FQEVSTJZSA-N 342.398 4.592 0 40 EJAB biogenic O=C(OCc1cc(-c2ccco2)on1)c1cc2c(F)cccc2s1 7335282 MEVLUMHQRALKSV-UHFFFAOYSA-N 343.335 4.645 0 40 EJAB CCc1ccc(NC(=S)NCCSCc2ccccc2F)cc1 7369396 JLBXAQFQSCXWEZ-UHFFFAOYSA-N 348.512 4.608 0 40 EJAB O=C(CCC(=O)c1ccc2ccccc2c1)Nc1ccc(F)c(F)c1 7953261 OHZREQSRJTUZTH-UHFFFAOYSA-N 339.341 4.720 0 40 EJAB Fc1ccc(NC(=S)Nc2cccc3cnccc23)cc1Cl 8194339 DOIXWXMTFOESSH-UHFFFAOYSA-N 331.803 4.836 0 40 EJAB Clc1ccc2sc(C3CCN(Cc4ccccn4)CC3)nc2c1 8746896 VAOYSZHYOFXTRE-UHFFFAOYSA-N 343.883 4.724 0 40 EJAB CCCOc1ccccc1C(=O)Nc1cc(-c2ccc(C)cc2)no1 8869148 FZUUQTDCTHKUCJ-UHFFFAOYSA-N 336.391 4.691 0 40 EJAB COc1ccc(C)cc1-c1csc(NC(=O)c2ccc(F)cc2)n1 10577829 HYYKEKGUIJTNJK-UHFFFAOYSA-N 342.395 4.519 0 40 EJAB Cc1nc2ccc(NC(=O)[C@@H](C)Oc3cccc(Cl)c3)cc2s1 10784078 IIFJOZOTFKLYBF-SNVBAGLBSA-N 346.839 4.664 0 40 EJAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(C(C)C)cc1 11636886 QBQVFZWFHGEOPE-LJQANCHMSA-N 327.424 4.615 0 40 EJAB O=C(Nc1cccc(Oc2ccccc2)c1)c1ccc2[nH]cnc2c1 12632215 NVVCIWGWXLQXTR-UHFFFAOYSA-N 329.359 4.608 0 40 EJAB Cc1ccc(/C=C/C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1 12792838 GEMIIIIDPISAFG-QFQMRYFISA-N 348.471 4.982 0 40 EJAB Cc1ccc2c(C)c(CCC(=O)Nc3ccc(C)c(C)c3)c(=O)oc2c1 12800849 XGXXWEHMUNSSLC-UHFFFAOYSA-N 349.430 4.598 0 40 EJAB CCOc1cccc(NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)c1 13646018 QHDJYMXVXFIZHP-AWEZNQCLSA-N 347.842 4.762 0 40 EJAB CCOc1ccccc1NC(=O)[C@@H](C)Oc1ccc2ccccc2c1 13689082 KJUZEFNLGUXYTE-OAHLLOKOSA-N 335.403 4.645 0 40 EJAB Cc1cc(C)c(NC(=O)CSc2nccc3ccccc23)c(C)c1 15109038 PONMRUPIMUZUTI-UHFFFAOYSA-N 336.460 4.891 0 40 EJAB COc1ccccc1-c1cc(C(F)(F)F)c2c(C3CC3)nn(C)c2n1 17072229 LROXTEFNJAUBJS-UHFFFAOYSA-N 347.340 4.540 0 40 EJAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(C(F)(F)F)cc1 21312226 JGSJUIXEKDGSOW-HNNXBMFYSA-N 341.304 4.641 0 40 EJAB CCn1c2ccccc2c2cc(CNC[C@@H](O)c3ccccc3)ccc21 22076208 ZNJQJKYNVCKKJV-HSZRJFAPSA-N 344.458 4.638 0 40 EJAB COc1ccccc1CN(C)C(=O)c1ccccc1Nc1ccccc1 23594403 HGYPDRRQVBIKAW-UHFFFAOYSA-N 346.430 4.711 0 40 EJAB COc1ccc([C@H]2CCCCCN2Cc2nc3ccccc3o2)cc1 24339843 WKIXYSVEHALTBF-LJQANCHMSA-N 336.435 4.954 0 40 EJAB CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)Sc1cc(C)nc(C)n1 24568472 HPDBFDQHEVZQMD-OCCSQVGLSA-N 343.496 4.726 0 40 EJAB O=C(c1ccc(-c2ccccc2F)o1)N1CCSc2ccccc21 32716626 GFBPQZGJWPFYFS-UHFFFAOYSA-N 339.391 4.838 0 40 EJAB CCN(C(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1)c1ccccc1 39969185 FOWDYZRZXNUHIZ-UHFFFAOYSA-N 333.387 4.816 0 40 EJAB Cc1cc([C@H]2CCCN2Cc2csc(-c3ccsc3)n2)on1 48249226 GSQSLKQVNIJITM-CQSZACIVSA-N 331.466 4.505 0 40 EJAB Cc1cc([C@@H]2CCCN2Cc2coc(-c3cccc(Cl)c3)n2)on1 48264562 YAKJHVAORAYFMD-INIZCTEOSA-N 343.814 4.629 0 40 EJAB CN(C1CCCCC1)[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 58165801 XKUDNSUBTMRNDU-FQEVSTJZSA-N 340.442 4.770 0 40 EJAB Cc1ccc(C)c([C@H](C)NC(=O)COc2cccc3ccccc23)c1 59351448 HUFVHFADZXNZQY-KRWDZBQOSA-N 333.431 4.713 0 40 EJAB CC(C)[C@@H]1CC(=O)Nc2c1sc(C(=O)O)c2-c1ccccc1Cl 61718241 FJGBYACUUULRIP-JTQLQIEISA-N 349.839 4.849 0 40 EJAB CCN1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 72215339 XWFPXJIVKOBWEQ-KRWDZBQOSA-N 345.487 4.532 0 40 EJAB COc1cc(C)c([C@H](C)NC(=O)Cc2ccc(C)cc2)cc1C(C)C 223340406 BRTRWIOCTXXHAP-KRWDZBQOSA-N 339.479 4.855 0 40 EJAB CCCCOc1ccc(NC(=O)[C@](C)(OCCC)C2CC2)cc1C 225673502 SEHXJYKVTWJUCS-HXUWFJFHSA-N 333.472 4.708 0 40 EJAB C[C@@H]1CCCN(Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1 1615574992 UDVAJTIFSYEKNK-GOSISDBHSA-N 331.463 4.771 0 40 EJAB Cn1c2ccc(Br)cc2c2cc(Br)ccc21 345304 SAYMLKNOCKBPMK-UHFFFAOYSA-N 339.030 4.857 0 40 EJAB FC(F)(F)c1cccc(-c2nnc3sc(-c4ccccc4)nn23)c1 385183 ILFQNGFSZLUJOV-UHFFFAOYSA-N 346.337 4.539 0 40 EJAB COc1ccc(-c2nnc(SCc3ccc(Cl)cc3)o2)cc1 411236 BVCPHRQRIUNHOB-UHFFFAOYSA-N 332.812 4.691 0 40 EJAB Cc1ccc(F)cc1NC(=O)c1cc2c(ccc3ccccc32)oc1=O 424129 NRKUZPIZKMBBLN-UHFFFAOYSA-N 347.345 4.646 0 40 EJAB Fc1ccc([C@@H]2C[C@@H](c3cccc4ccccc34)n3ncnc3N2)cc1 803101 CVFMKIFBLUUWFW-PMACEKPBSA-N 344.393 4.717 0 40 EJAB Cc1ccc(-n2ncc(Cl)c(Oc3ccc(Cl)cc3)c2=O)cc1 1393843 SANKMZOFCJWHRR-UHFFFAOYSA-N 347.201 4.640 0 40 EJAB COc1ccccc1N1C(=O)c2ccccc2N[C@H]1c1ccsc1 7884851 FEYXYDXCSVFGIR-GOSISDBHSA-N 336.416 4.528 0 40 EJAB CCCCN(CC)Cc1c(C)nc2c(OC)ccc(Cl)c2c1O 8717981 KVMTXMJKDBSRLD-UHFFFAOYSA-N 336.863 4.533 0 40 EJAB O=C(CCc1ccccc1Cl)Nc1ccc(Br)cc1 10457547 RCRZKXKIGYKAOP-UHFFFAOYSA-N 338.632 4.674 0 40 EJAB O=C(Nc1ccc(F)cc1)N[C@H](c1ccccc1)c1cccs1 12806574 YEIFQJDIFPQYOA-QGZVFWFLSA-N 326.396 4.798 0 40 EJAB O=C(N[C@@H]1CCSc2ccc(F)cc21)c1cc(Cl)ccc1F 12947476 XGHWKTIFWOTFSF-CQSZACIVSA-N 339.794 4.585 0 40 EJAB CCCOc1ccc(C(=O)Nc2ccc(-c3nccs3)cc2)cc1 14108893 RCISBBSKFIRBPL-UHFFFAOYSA-N 338.432 4.851 0 40 EJAB CCc1cccc(CC)c1NC(=O)[C@@H](CC)Oc1ccc(OC)cc1 14398629 BRGRQBSCIPILSB-LJQANCHMSA-N 341.451 4.616 0 40 EJAB CCc1ccc2occ(CC(=O)Nc3ccc(OC(F)F)cc3)c2c1 16753186 JWMHUSBDWZKQCI-UHFFFAOYSA-N 345.345 4.778 0 40 EJAB Cc1ccc(SCC(=O)N[C@@H](C)c2cc3ccccc3o2)cc1 18221269 LIFYTPSDUPCKLI-AWEZNQCLSA-N 325.433 4.711 0 40 EJAB CCOc1ccccc1NC(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 23055377 XLFZYVWWAWYECW-AWEZNQCLSA-N 348.446 4.944 0 40 EJAB Cc1nccn1-c1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1 28305299 TWFHKEPHEZZBRN-UHFFFAOYSA-N 346.217 4.740 0 40 EJAB CC(C)CNC(=O)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 29565905 MNPBPNMXGPTNLK-UHFFFAOYSA-N 338.382 4.534 0 40 EJAB Cc1noc(C)c1CCC(=O)Nc1ccc(SC2CCCC2)cc1 32809456 LUVRKIMMMHSEJY-UHFFFAOYSA-N 344.480 4.897 0 40 EJAB CCOc1ccc2oc(C(=O)N[C@H]3CCCc4ccccc43)c(C)c2c1 32958335 LJACCWHVYAENKJ-IBGZPJMESA-N 349.430 4.947 0 40 EJAB Cc1nc(-c2c(F)cccc2F)sc1C(=O)Nc1ccccc1 41303244 VIWJBWPJZHPMBF-UHFFFAOYSA-N 330.359 4.649 0 40 EJAB Fc1ccc(C[C@H]2CCCN2Cc2coc(-c3cccs3)n2)cc1 48309184 ODFVIDSXLFGYLT-QGZVFWFLSA-N 342.439 4.749 0 40 EJAB O=C(NCc1cc2ccccc2[nH]1)c1ccc(-c2ccccc2)cc1 58903343 DLIOXLNNPWUIGB-UHFFFAOYSA-N 326.399 4.765 0 40 EJAB Cc1ccc(F)cc1NC(=S)Nc1cccc(OC(F)(F)F)c1 71326279 CXFSPZWXOPFRSJ-UHFFFAOYSA-N 344.333 4.842 0 40 EJAB CC(C)(C)OC(=O)N1CCC[C@H]1c1ccc(N2CCCCCC2)nc1 72216640 GDNSSEOIDOAWMY-KRWDZBQOSA-N 345.487 4.534 0 40 EJAB O=C(OCc1ccccc1)N1CCCC[C@H]1c1ccc[nH]c1=S 72217092 ASDDOKDGCLGVPT-INIZCTEOSA-N 328.437 4.608 0 40 EJAB CCOc1ccc(NC(=O)N2CCC(c3cccs3)CC2)cc1 75157085 PBZFOTLIJSRYAK-UHFFFAOYSA-N 330.453 4.558 0 40 EJAB CCc1ccc(O[C@@H](CC)C(=O)N[C@@H](C)c2ccc(C)cc2)cc1 113968958 HJZMQFMTLXFFSP-JXFKEZNVSA-N 325.452 4.592 0 40 EJAB O=C(Cc1cccs1)N1CCCC[C@@H](c2ccc(Cl)cc2)C1 206878081 HCXGLTFJBNCQPR-OAHLLOKOSA-N 333.884 4.740 0 40 EJAB C[C@H](Oc1ccccc1)C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 219484199 XYHAVFLGONAKMR-HOTGVXAUSA-N 325.452 4.629 0 40 EJAB Cc1cccc([C@H](NC(=O)Cc2ccccc2F)c2ccccc2)c1 225449642 UJRNJYZJNWLEJF-JOCHJYFZSA-N 333.406 4.582 0 40 EJAB CC(C)OC(=O)c1cc(N)ccc1Nc1cccc(Cl)c1Cl 225474501 UINBKEXVTPDOQR-UHFFFAOYSA-N 339.222 4.884 0 40 EJAB Cc1cccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@H]3[C@H]4CC[C@@H](C4)[C@@H]32)c1 245380843 PFBQDCGPGMFALE-JPVNBAAASA-N 333.431 4.990 0 40 EJAB O=C(NCCSCc1ccccc1Cl)c1cc2ccccc2o1 408618567 KZOINDPPHVMBHG-UHFFFAOYSA-N 345.851 4.749 0 40 EJAB O=C(Cc1cccs1)c1cccc(OCc2cccc(F)c2)c1 575357594 NNWSLEPSJXHMMB-UHFFFAOYSA-N 326.392 4.892 0 40 EJAB Cc1ccc([C@H]2N(c3cccc4ccccc34)C(=O)N3CCCN23)cc1 519965 WPXWNTNVDPTVQM-OAQYLSRUSA-N 343.430 4.710 0 40 EJAB Cc1ccnc(N[C@@H](c2ccncc2)c2c(C)[nH]c3ccccc23)c1 1281089 LSUCIMJIEGWCQS-NRFANRHFSA-N 328.419 4.776 0 40 EJAB CN(c1ccccc1)c1c(Cl)c(=O)oc2c1ccc1occc12 1589140 HUQUXMHGDXCBJE-UHFFFAOYSA-N 325.751 4.961 0 40 EJAB CCOC(=S)Sc1ccc2c(c1)Cc1cc(NC(C)=O)ccc1-2 1710689 DUYFORSGTHKEJD-UHFFFAOYSA-N 343.473 4.630 0 40 EJAB Cc1cc2occ(CC(=O)NCc3cccs3)c2cc1C(C)C 3352439 SFBPDXDLVQFAAQ-UHFFFAOYSA-N 327.449 4.785 0 40 EJAB CCc1cc2cc(Br)cc(Br)c2nc1C 4051019 VWQNBRTUTLBILD-UHFFFAOYSA-N 329.035 4.631 0 40 EJAB C[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc4ccccc4c2)N3)C1 4543391 QDOQLAGESWEVFL-BUXKBTBVSA-N 348.471 4.880 0 40 EJAB C[C@H](CCc1ccccc1)NC(=O)c1ccc(-c2ccc(F)cc2)o1 4673534 VFOHHJUJVGOCTD-OAHLLOKOSA-N 337.394 4.837 0 40 EJAB Cc1ccc(OCC(=O)NC(c2ccccc2)c2ccccc2)cc1C 5292451 NIHHWOMJTCIXDS-UHFFFAOYSA-N 345.442 4.588 0 40 EJAB CCN(C(=O)c1cc(Cl)ccc1OC)C12CC3CC(CC(C3)C1)C2 6550037 IKPZMLKBFVVTOF-UHFFFAOYSA-N 347.886 4.780 0 40 EJAB Cc1ccc(F)cc1NC(=O)c1sc(-c2cccs2)nc1C 6789171 IDRYZVROEOOBFP-UHFFFAOYSA-N 332.425 4.880 0 40 EJAB CC(C)Cc1ccc([C@@H](C)c2nc3c4ccccc4ncn3n2)cc1 6939608 QJCQBVUQVAPETK-OAHLLOKOSA-N 330.435 4.628 0 40 EJAB CC(=O)Nc1ccc(NC(=O)c2sc3cccc(F)c3c2C)cc1 7666760 KFMUQEOGDNPPPK-UHFFFAOYSA-N 342.395 4.560 0 40 EJAB ClC1(Cl)C[C@H]1CSc1nc(C2CC2)nc2ccccc12 10945470 MZCXPUFHWSIUDG-JTQLQIEISA-N 325.264 4.793 0 40 EJAB CN(Cc1ccco1)C(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 12737965 KCNUGYIIBKQECE-UHFFFAOYSA-N 349.308 4.831 0 40 EJAB C[C@H](c1nnc(-c2cccs2)o1)N(C)Cc1ccc(Cl)s1 23329994 YHIFOSJGARAUTG-SECBINFHSA-N 339.873 4.706 0 40 EJAB Cc1cc(C(=O)CSc2ncnc3ccsc23)c(C)n1C(C)C 26959865 PDWBPPWZVIJTBF-UHFFFAOYSA-N 345.493 4.666 0 40 EJAB Cc1cc(NC(=O)c2cccc(C(F)(F)F)c2)n(C2CCCC2)n1 32647730 AAOXQUSRRKIMKI-UHFFFAOYSA-N 337.345 4.578 0 40 EJAB CN(Cc1ccsc1)C(=O)c1cccnc1Sc1ccccc1 32741278 MYTFFGUGFGDNAK-UHFFFAOYSA-N 340.473 4.567 0 40 EJAB Cl/C(=C\C=[N+]1CCCCCC1)c1ccc(Br)cc1 35586086 MDFAQPGEBBADLZ-DHDCSXOGSA-N 327.673 4.686 0 40 EJAB COc1cccc(Nc2c(-c3cccc(O)c3)nc3cccc(C)n23)c1 35616168 HUHMZRHFNIERBI-UHFFFAOYSA-N 345.402 4.768 0 40 EJAB O=C(/C=C/c1cccc2cccnc12)N1CCC[C@H]1c1ccc(F)cc1 55541202 LSGJKFAOSYEAIS-YPNIWSFNSA-N 346.405 4.751 0 40 EJAB Cc1ccccc1-c1nnc(-c2ccc(C(=O)OC[C@H]3C[C@@H]3C)cc2)o1 71827952 XTDBJNVREHZWHC-WMLDXEAASA-N 348.402 4.525 0 40 EJAB CN(C(=O)NCc1ccsc1)C1CCC(c2ccccc2)CC1 95351278 ALOPOKANGNETGL-UHFFFAOYSA-N 328.481 4.616 0 40 EJAB Cc1ccc2c(c1)[C@@H](NC(=O)Cc1ccc(C)c(C)c1)CC(C)(C)O2 218809047 PTQSRRPIXVPDPL-IBGZPJMESA-N 337.463 4.573 0 40 EJAB CCCOc1ccc(C(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1 223452753 KTWQPACMXKJHGR-QGZVFWFLSA-N 325.452 4.892 0 40 EJAB O=C(NCCSCc1ccc(Cl)c(Cl)c1)C1CCCC1 225505377 SFAVDGHSKUBQRT-UHFFFAOYSA-N 332.296 4.533 0 40 EJAB CC(C)OCc1cccc(NC(=O)NCc2ccc3occc3c2)c1 665860940 GVSWUCWQPOCZJH-UHFFFAOYSA-N 338.407 4.680 0 40 EJAB Clc1ccccc1-c1nc(NCc2cccnc2)c2ccccc2n1 142047 NTTPQVXXQBEUGW-UHFFFAOYSA-N 346.821 4.957 0 40 EJAB CCOC(=O)c1c(NC(=O)c2ccc(C(C)C)cc2)sc(C)c1C 1284154 RVVVJSVTWFUVGU-UHFFFAOYSA-N 345.464 4.917 0 40 EJAB Cc1cc(=O)n([C@H](C)Cc2ccccc2)n1[C@H](C)Cc1ccccc1 1710584 WSNZBSJULJWCGD-QZTJIDSGSA-N 334.463 4.566 0 40 EJAB Cc1cc2ccccn2c1C(=O)c1ccc(C(=O)c2ccccc2)cc1 3218826 MHWQCWVHMLWQFF-UHFFFAOYSA-N 339.394 4.710 0 40 EJAB S=C(NCCc1ccccc1)Nc1ccccc1Cc1ccccc1 3231845 KWQLIHLCMQCNHG-UHFFFAOYSA-N 346.499 4.807 0 40 EJAB Cc1ccc(CN(C)C(=O)c2cc3c(s2)-c2ccccc2CC3)o1 6993498 LISOOCDUUBYJFI-UHFFFAOYSA-N 337.444 4.687 0 40 EJAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1cc2c(s1)CCC2 8270137 GCQRKFAPXLENOZ-UHFFFAOYSA-N 341.432 4.531 0 40 EJAB Cc1nc2ccc(NC(=O)Cc3ccc4ccccc4c3)cc2s1 8351702 FVRPSFNSYLGXTD-UHFFFAOYSA-N 332.428 4.939 0 40 EJAB COc1ccc([C@@H]2CC(=O)Nc3ccsc32)cc1OC1CCCC1 12371385 MZSMVINWTKTLRB-AWEZNQCLSA-N 343.448 4.552 0 40 EJAB O=C(COc1ccccc1-c1ccccc1)Nc1c(F)cccc1F 12782648 NSVQSUQCEBWDRA-UHFFFAOYSA-N 339.341 4.649 0 40 EJAB COc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c(C)c1 13325334 FPICBWHMRBHTMF-UHFFFAOYSA-N 325.195 4.954 0 40 EJAB Cc1ccc(NC(=O)Cc2csc(Nc3ccccc3)n2)cc1F 16850091 ZSLRDZYXZZQYRI-UHFFFAOYSA-N 341.411 4.515 0 40 EJAB Cc1ccccc1-c1nnc(NC(=O)Nc2ccc(Cl)cc2)s1 17057052 PMRFEXXFHXPLQI-UHFFFAOYSA-N 344.827 4.811 0 40 EJAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccccc1Cl)c1ccc(C)cc1 20483535 LJQRUZFQCATJAU-RHSMWYFYSA-N 331.843 4.683 0 40 EJAB Cc1cc(C)c([C@H](Nc2ccc(Cl)cc2)P(=O)(O)O)cc1C 24769652 BIZMEMWBCJVYPL-MRXNPFEDSA-N 339.759 4.554 0 40 EJAB Cc1ccsc1C(=O)Nc1ccn(Cc2cccc3ccccc23)n1 28303479 JAFQXJXDEKVVMS-UHFFFAOYSA-N 347.443 4.707 0 40 EJAB CC1(C)C[C@H](NCCC2(c3ccc(F)cc3)CCCCC2)CCO1 32094231 TYSBSAYYKJVMDO-LJQANCHMSA-N 333.491 4.965 0 40 EJAB Cc1ccc(CSc2nnc([C@H](C)Oc3ccc(F)cc3)o2)cc1 32945459 KNOBIBLCEQTBDJ-ZDUSSCGKSA-N 344.411 4.949 0 40 EJAB CSc1cccc2sc(NC(=O)Nc3ccccc3F)nc12 49025984 HTETVLVUEAAGNQ-UHFFFAOYSA-N 333.413 4.801 0 40 EJAB C[C@@]12CCCCN1CCc1c2n(Cc2ccccc2)c2ccccc12 51943491 ZBJOXDVCELHJTF-QHCPKHFHSA-N 330.475 4.947 0 40 EJAB C[C@H](Sc1ccccc1)C(=O)Nc1cc(-n2cccc2)ccc1F 58175082 HHHRQDWNVUIHNH-AWEZNQCLSA-N 340.423 4.736 0 40 EJAB CCc1cccc2c(-c3csc(-c4ccc(C(N)=O)cc4)n3)c[nH]c12 60844863 YKUHNIYFOOIQIR-UHFFFAOYSA-N 347.443 4.620 0 40 EJAB C[C@H]1CCCN(C(=O)c2ccc(-c3nc4ccccc4s3)o2)CC1 63273757 ZGFQDSSLNXVENZ-ZDUSSCGKSA-N 340.448 4.819 0 40 EJAB COCc1cccc(N[C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)c1 79301682 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0 40 EJAB Fc1ccccc1-c1nc2nc3ccccc3nc2n1C1CCCC1 537105 FARLZOBNPSPHDM-UHFFFAOYSA-N 332.382 4.901 0 40 EJAB COc1ccc(C(=O)Nc2nc3cc(Cl)c(C)cc3s2)cc1 569638 JHHIDCNXBGGAQO-UHFFFAOYSA-N 332.812 4.519 0 40 EJAB Cc1ccc2nc3c(cc2c1)c(NC(=O)C(C)(C)C)nn3CC(C)C 1269185 HHOGCIWSLGHTNM-UHFFFAOYSA-N 338.455 4.534 0 40 EJAB Cc1cc(OCCOC(=O)Nc2ccccc2F)cc(C)c1Cl 1753706 ZPKBAEYRPZIDMO-UHFFFAOYSA-N 337.778 4.723 0 40 EJAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(Cl)nc1 2651256 XJSULFNHIKVRKF-UHFFFAOYSA-N 335.112 4.660 0 40 EJAB O=C(COc1ccc2ccccc2c1)OCc1nc2ccccc2s1 3462671 LHBJBRHCRJJLBT-UHFFFAOYSA-N 349.411 4.572 0 40 EJAB CN(C(=O)CSc1nc(-c2ccccc2)cs1)C1CCCCC1 7778935 PSMHKKBQXYWBAR-UHFFFAOYSA-N 346.521 4.693 0 40 EJAB CCc1ccc(-c2csc(NC(=O)c3cc(C)oc3C)n2)cc1 7794526 SLYMMELPPAOMFN-UHFFFAOYSA-N 326.421 4.835 0 40 EJAB CC[C@@H](C)c1ccccc1NC(=O)COc1cccc2cccnc12 8037132 CLZMMAQVKGTXIZ-OAHLLOKOSA-N 334.419 4.766 0 40 EJAB CC(=O)Nc1cccc(C(=O)Nc2ccccc2Oc2ccccc2)c1 9455744 QLQXYJXWHXYVRU-UHFFFAOYSA-N 346.386 4.690 0 40 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346.474 4.614 0 40 EJAB C[C@H](Oc1cccc2ccccc12)C(=O)N[C@@H](C)c1ccc(F)cc1 6010797 RSUVBBDCWSITOV-GJZGRUSLSA-N 337.394 4.624 0 40 EJAB Cc1ccc(N[C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1C 7222964 VZHJAOOBPVNIOH-CYBMUJFWSA-N 336.357 4.761 0 40 EJAB Cc1ccc(-c2nnc(SCc3cc(-c4ccco4)on3)o2)cc1 7485496 XGXSLFMCZXGYTF-UHFFFAOYSA-N 339.376 4.585 0 40 EJAB C[C@H](NC(=S)Nc1ccc(F)cc1)c1ccc2c(c1)CCCC2 7970479 CHLZDGQUSYVHDQ-ZDUSSCGKSA-N 328.456 4.752 0 40 EJAB Cc1ccsc1/C=C1\N=C(C23CC4CC(CC(C4)C2)C3)OC1=O 12755160 ULDRDYQWPZNWTQ-CHHVJCJISA-N 327.449 4.569 0 40 EJAB O=C(OCc1ccc(-n2cccn2)cc1)c1ccc(Cl)cc1Cl 12821864 QEQRRMQFJWVMJL-UHFFFAOYSA-N 347.201 4.536 0 40 EJAB CC(=O)NCc1ccc(-c2nc(-c3cccc(C)c3)sc2C)s1 12864269 NQMZCZOBCWGVMN-UHFFFAOYSA-N 342.489 4.792 0 40 EJAB O=c1cc(CSc2ccccc2F)c2cc3c(cc2o1)CCC3 15152057 RPQZATAXRTVGOT-UHFFFAOYSA-N 326.392 4.713 0 40 EJAB COc1ccc2c(c1)CCC1=C2CC[C@@]2(C)C1=CCC[C@H]2OC(C)=O 16321654 JDNDEPILENCXAF-YADHBBJMSA-N 338.447 4.847 0 40 EJAB 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344.263 4.743 0 40 EJAB Oc1ccccc1C1=N[C@@H](c2ccccc2)N[C@@H](c2ccccc2)C1 61868522 UJROPHQMKHBBEJ-KNQAVFIVSA-N 328.415 4.615 0 40 EJAB C[C@@H]1Cc2ccc(F)cc2CN1C(=O)Nc1ccc(F)c(Cl)c1 72291976 WKMGLPYBNDZNHO-SNVBAGLBSA-N 336.769 4.597 0 40 EJAB Cc1cccc(-c2cccc([C@@H]3CCCN(Cc4cccnc4)C3)n2)c1 72348832 BGPKMWCMFXEWDE-OAQYLSRUSA-N 343.474 4.832 0 40 EJAB Cc1cc(C)c2oc(-c3ccc(I)cc3)nc2c1 73639046 ZRFACXIMJSHHJP-UHFFFAOYSA-N 349.171 4.716 0 40 EJAB Cc1csc(C2(NC(=O)Nc3cccc(Cl)c3)CCCC2)n1 78821432 HPGWINGJWGANKR-UHFFFAOYSA-N 335.860 4.696 0 40 EJAB C[C@@H](c1ccc(Cl)c(Cl)c1)S(=O)(=O)Cc1cccc(F)c1 95962038 RFYJMRLEFFGRHE-JTQLQIEISA-N 347.238 4.809 0 40 EJAB Cc1ccc([C@H](C)NC(=O)CSc2ccc(Cl)cc2)c(C)c1 113935081 JTSOACPUOGCRGJ-AWEZNQCLSA-N 333.884 4.926 0 40 EJAB Cc1ccccc1[C@H]1CCN(C(=O)/C=C/c2ccccc2)CCS1 219277018 WBEURYRUJZINHN-YVNCXZRQSA-N 337.488 4.715 0 40 EJAB CC[C@H](NC(=O)Nc1ccc(Cl)cc1)c1ccc(OC)c(OC)c1 222637018 LBSBYZNUIMZNEC-HNNXBMFYSA-N 348.830 4.630 0 40 EJAB 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Cc1cccc(C)c1NC[C@@H](O)Cn1c2ccccc2c2ccccc21 5521204 PWZKWUMCTISNAS-GOSISDBHSA-N 344.458 4.884 0 40 EJAB C[C@@H](NC(=O)c1ccc(Cl)cc1)c1ccc(Br)cc1 5559349 YSPDGKBRUMBQIN-SNVBAGLBSA-N 338.632 4.594 0 40 EJAB COc1ccc([C@H](c2ccccc2OC)c2ccccc2C(=O)O)cc1 5640120 ZWGVQLGYUMKFFA-NRFANRHFSA-N 348.398 4.582 0 40 EJAB CCOc1cc(CNCc2ccccc2Cl)cc(Cl)c1OC 8253688 WGBPVADIFUNPEM-UHFFFAOYSA-N 340.250 4.691 0 40 EJAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)c1 8558707 CSHBMOMVLSUMNH-ZDUSSCGKSA-N 337.341 4.728 0 40 EJAB CN(C(=O)c1ccc(OCCc2ccccc2)cc1)C1CCCCC1 8564263 UIANSRQPFBLKBF-UHFFFAOYSA-N 337.463 4.713 0 40 EJAB Oc1c(CN2CCCC2)c(-c2ccccc2)nc2ccc(Cl)cc12 8717279 IYIOSVDRDVPMRM-UHFFFAOYSA-N 338.838 4.857 0 40 EJAB CC(=O)c1cccc(NC(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)c1 10026203 YRCVYVAXUSSIRA-CYBMUJFWSA-N 346.430 4.748 0 40 EJAB CCN(CC)C(=O)c1cccc(NC(=O)c2ccc3ccccc3c2)c1 14387211 GZLYAWDCUGSNHR-UHFFFAOYSA-N 346.430 4.574 0 40 EJAB CCOc1ccc(Br)cc1C(=O)Nc1ccc(C)cc1C 14654416 SFOIWNVHTPVLNC-UHFFFAOYSA-N 348.240 4.717 0 40 EJAB CCCOc1ccc(NC(=O)c2ccc(Cl)cc2)c2cccnc12 15840905 DOLNLIYJROCVDW-UHFFFAOYSA-N 340.810 4.929 0 40 EJAB CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1cc(C)nc(C)n1 24568468 HPDBFDQHEVZQMD-TZMCWYRMSA-N 343.496 4.726 0 40 EJAB C[C@@H]1CCCCN1C(=O)c1ccc(-c2ccccc2Br)o1 41127324 ABDFPKFFBFHBGG-GFCCVEGCSA-N 348.240 4.724 0 40 EJAB C[C@H](N[C@H](C)c1ccccc1)C(=O)Nc1cc(Cl)ccc1Cl 58160713 XKLYXBCXPBHGGD-NEPJUHHUSA-N 337.250 4.671 0 40 EJAB Cc1ccc(C)c([C@H](C)NC(=O)[C@H](C)Oc2cccc(C)c2C)c1 59351471 FTRXGLZHLXYUDJ-ROUUACIJSA-N 325.452 4.565 0 40 EJAB COc1cccc(-c2nc(Cl)c3oc(-c4ccccc4)nc3n2)c1 61997348 FJSBPVYUDZKZBH-UHFFFAOYSA-N 337.766 4.614 0 40 EJAB CC(C)c1ccc(Cc2noc3nc(C(C)C)cc(C(=O)O)c23)cc1 62710680 RZWSIHUAUVBQOA-UHFFFAOYSA-N 338.407 4.759 0 40 EJAB Cc1cc([C@@H](O)c2ccccc2)cnc1N1CCCc2ccccc21 72222877 LHBXHPNNFYPBFC-NRFANRHFSA-N 330.431 4.556 0 40 EJAB Cc1oc(-c2cccs2)nc1C[S@](=O)[C@H](C)c1ccc(F)cc1 84056815 GCEIQOIHQCWCHU-SFDCACGMSA-N 349.452 4.861 0 40 EJAB O=C(NCc1nc(-c2ccccc2)cs1)c1ccc2ccccc2c1 84564643 NWXNPLHTPZOEIE-UHFFFAOYSA-N 344.439 4.893 0 40 EJAB C[C@@H]1CCCN(C(=O)N[C@H](c2ccccc2)c2cc3ccccc3o2)C1 84697470 JDKXIXWXHOYWSX-IIBYNOLFSA-N 348.446 4.964 0 40 EJAB C[S@](=O)Cc1ccc(Cl)c(NCc2ccc(Cl)s2)c1 96453614 KDYKUYOAUSIHPX-LJQANCHMSA-N 334.293 4.546 0 40 EJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccccc3Cl)N21 222642972 IRFFMRJOANZFJP-CSMYWGQOSA-N 343.883 4.714 0 40 EJAB Oc1cccc2c1[C@@]1(CC2)CCc2cccc([C@H](O)c3ccccc3)c21 222829046 FYJMCPGHDORIAI-DNQXCXABSA-N 342.438 4.652 0 40 EJAB CCOc1ccc(C(=O)NC(C)(C)C)cc1COc1ccc(C)cc1 224463832 RPPLPICIAGDZRO-UHFFFAOYSA-N 341.451 4.501 0 40 EJAB Cc1ccc(C2(NC(=S)Nc3cccc(F)c3)CCCC2)cc1 225855036 SDQVOQZCTHSDEV-UHFFFAOYSA-N 328.456 4.890 0 40 EJAB CCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)c(C)n1 225861061 HEMZZCNIXPHADH-UHFFFAOYSA-N 338.451 4.548 0 40 EJAB C[C@H](NC(=O)c1ccccc1-n1cccc1)c1cccc(C2CC2)c1 1523590423 KQCOQQWZEDERJT-INIZCTEOSA-N 330.431 4.846 0 40 EJAB Cc1ccc(NC(=O)COc2ccc3oc4c(c3c2)CCCC4)cc1 348651 JKSZFINGGMQNNL-UHFFFAOYSA-N 335.403 4.638 0 40 EJAB Clc1ccc2nc(NCc3cccnc3)nc(-c3ccccc3)c2c1 2710099 JDJYTMOCGBRPAW-UHFFFAOYSA-N 346.821 4.957 0 40 EJAB Cc1ccc([C@@H]2C[C@H](c3cccc(Cl)c3)n3ncnc3N2)cc1C 2919590 JGQKRLCBLLUPJI-ZWKOTPCHSA-N 338.842 4.695 0 40 EJAB COc1ccc2ccccc2c1[C@H]1NN=C(c2ccc(C)cc2)S1 2987399 XBOZWXYHDHAUJS-FQEVSTJZSA-N 334.444 4.854 0 40 EJAB O=C(CN(C1CCCCC1)C1CCCCC1)Nc1ccc(F)cc1 3194168 PXLSWTDGJZTXAG-UHFFFAOYSA-N 332.463 4.732 0 40 EJAB O=C(O)c1cccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)c1 3818789 RUPFVFWJAHIALT-UHFFFAOYSA-N 341.750 4.551 0 40 EJAB COc1cccc(CO[C@H]2C[C@H](C)S[C@H]3C=CC(Cl)=C[C@@H]23)c1 4110331 TUBWQLBEFSFOMZ-JUKXBJQTSA-N 336.884 4.783 0 40 EJAB CC(C)Oc1cccc(C(=O)Nc2nc3cc(Cl)ccc3s2)c1 8560686 YHKUEKHSSCUAHY-UHFFFAOYSA-N 346.839 4.989 0 40 EJAB Cc1ccccc1CSc1nnc(COc2ccccc2C)o1 9198437 BIYPMGFBPKHMOR-UHFFFAOYSA-N 326.421 4.558 0 40 EJAB CCOc1ccccc1NCC(=O)Nc1ccc([C@@H](C)CC)cc1 9338538 WIVQYZLRURVATK-HNNXBMFYSA-N 326.440 4.649 0 40 EJAB Cc1cc(O[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)cc(C)c1Cl 10449971 HDDZDMPPKDQQRP-LSDHHAIUSA-N 343.854 4.702 0 40 EJAB O=C(Nc1ccc(F)cc1F)N1CCC(CCc2ccccc2)CC1 12767404 IBIJTHWGRDQAPO-UHFFFAOYSA-N 344.405 4.842 0 40 EJAB COc1cc2ccccc2cc1C(=O)NCCCc1ccc(C)cc1 20106929 AUQLAHVHLMVPNO-UHFFFAOYSA-N 333.431 4.519 0 40 EJAB CC(C)C(=O)Nc1ccc(-c2csc(NCc3ccco3)n2)cc1 20672997 HJMUEJKSANFAGH-UHFFFAOYSA-N 341.436 4.610 0 40 EJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)c1ccc(C)cc1 30871528 RNNKPZKKYGGKTM-RDTXWAMCSA-N 331.843 4.683 0 40 EJAB COc1cc(CN(C)[C@H]2CCCc3ccccc32)ccc1OC(F)F 32751337 TVLSPUUKQVLXNZ-KRWDZBQOSA-N 347.405 4.806 0 40 EJAB C[C@@H](NCc1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1Cl 32800290 WTYXWFRPEVGRCP-LLVKDONJSA-N 348.233 4.894 0 40 EJAB Cc1nc(C2CC2)nc2sc(C(=O)Nc3cccc(F)c3)c(C)c12 32908078 FYFBOEWWALQGIK-UHFFFAOYSA-N 341.411 4.577 0 40 EJAB COc1ccccc1Nc1c(-c2cccc(O)c2)nc2ccc(C)cn12 35616000 NHRQQFKLKLFMGG-UHFFFAOYSA-N 345.402 4.768 0 40 EJAB CN(C)CCC[C@]1(c2ccc(F)cc2)OCc2cc(Cl)ccc21 38895768 COAPWBUTTSOWLG-LJQANCHMSA-N 333.834 4.595 0 40 EJAB in-vitro Cc1ccccc1NCc1nc(-c2cccc(C(F)(F)F)c2)no1 40032431 ZOOINWDAYXWPRT-UHFFFAOYSA-N 333.313 4.676 0 40 EJAB O=C(Cc1c(F)cccc1Cl)NC1CCC(c2ccccc2)CC1 40070312 YEHMQAPZVASLJQ-UHFFFAOYSA-N 345.845 4.864 0 40 EJAB C[C@@H](NC(=O)Nc1ccccc1COc1ccccc1)c1ccncc1 56748339 XLYBAYZRDYVCOW-MRXNPFEDSA-N 347.418 4.543 0 40 EJAB CCOc1ccc(NC(=O)c2ccc(N(CC)C(C)C)cc2)cc1 58018806 WXYXPOYYTPJLDE-UHFFFAOYSA-N 326.440 4.572 0 40 EJAB COc1ccc(OC)c(NC(=O)N(Cc2ccc(C)s2)C(C)C)c1 69379867 HKNYEKQXYIUSJG-UHFFFAOYSA-N 348.468 4.516 0 40 EJAB COc1ccc2c(c1)CCC[C@@H]2CC(=O)N1CCC[C@@H]1C1CCCC1 71823943 ATEFWHOCVBTOLP-WIYYLYMNSA-N 341.495 4.686 0 40 EJAB CC(C)c1ccc([C@H]2CC(O)=Nc3c2cnn3Cc2ccco2)cc1 72402942 IANDTESZKAYNPO-QGZVFWFLSA-N 335.407 4.771 0 40 EJAB CC(C)(C)OC(=O)N1CC=C(c2c[nH]c3c(Cl)cccc23)CC1 94993299 IXIRAMRLLZCUII-UHFFFAOYSA-N 332.831 4.846 0 40 EJAB CN1C(=O)Cc2cc(-c3csc(C(C)(C)c4ccccc4)n3)ccc21 95455747 OEOOXXHAIFVVPJ-UHFFFAOYSA-N 348.471 4.655 0 40 EJAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3c[nH]c4ccccc34)N21 222669493 FCBSMHWFVVWWEC-FASAQXTFSA-N 348.475 4.542 0 40 EJAB O=C(COc1cccc2c1CCCC2)Nc1ccccc1C(F)(F)F 222935389 CAHCKHGPSWXTAW-UHFFFAOYSA-N 349.352 4.602 0 40 EJAB COc1cc(C)c(C(=O)N[C@@H](C)c2ccccc2C)cc1C(C)C 225668868 VRXVKJMXUTUEDK-INIZCTEOSA-N 325.452 4.926 0 40 EJAB CCCCOc1cccc(C(=O)Nc2cc(Cl)c(C)cc2N)c1 226349472 NENAMNBIJHJAQR-UHFFFAOYSA-N 332.831 4.662 0 40 EJAB O=C(/C=C/c1ccccc1)NCCSCc1c(F)cccc1Cl 409024220 BVUJUVOHYUKUHK-MDZDMXLPSA-N 349.858 4.542 0 40 EJAB CCC[C@@]1(C)CCCN(C(=O)CCc2cccc(OC(C)(C)C)n2)C1 622402820 FJDPTIIQSITYLR-NRFANRHFSA-N 346.515 4.620 0 40 EJAB C[C@H]1CN=C(N(C(=O)Nc2ccccc2)[C@H](C)c2ccccc2)S1 503375 WRLMYLQCBSGTDJ-LSDHHAIUSA-N 339.464 4.773 0 40 EJAB Clc1ccc(-c2nnc3sc(-c4cccc(Cl)c4)nn23)cc1 541540 OWWKTPVBJJEQQG-UHFFFAOYSA-N 347.230 4.827 0 40 EJAB Cc1ccccc1-c1nnc(N(C(=O)C2CCC2)C2CCCC2)s1 1345240 TWJXBUOWGURBQC-UHFFFAOYSA-N 341.480 4.589 0 40 EJAB COc1ccc(-c2cc(COc3ccc(Cl)cc3C)on2)cc1 1398161 LLHQRKFGRKAGMG-UHFFFAOYSA-N 329.783 4.891 0 40 EJAB CC(C)c1ccccc1NC(=O)COC(=O)c1ccc2ccccc2c1 3217755 CUEIGYIROKMGRS-UHFFFAOYSA-N 347.414 4.759 0 40 EJAB O=C(Nc1ccc(Br)cc1Cl)c1cc(F)cc(F)c1 3431132 FKBOTFCBKCBWTQ-UHFFFAOYSA-N 346.558 4.633 0 40 EJAB COc1ccc(C)c2sc(NC(=O)c3cccc(SC)c3)nc12 4517564 MTCINQOURJXKBM-UHFFFAOYSA-N 344.461 4.588 0 40 EJAB Cc1cc(Br)ccc1NC(=O)/C=C/c1cccc(F)c1 5458538 CCZYDJQVBICWDF-VMPITWQZSA-N 334.188 4.549 0 40 EJAB O=C(COC(=O)c1cccc(F)c1)c1ccc(-c2ccccc2)cc1 5632623 JJDZAIUETXBCBK-UHFFFAOYSA-N 334.346 4.532 0 40 EJAB Cc1ccc(NC2=NC(=O)[C@@H](Cc3cccc(Cl)c3)S2)cc1C 5812904 CTMKRZUJUUERED-MRXNPFEDSA-N 344.867 4.609 0 40 EJAB Cc1cc2ccccc2n1CC(=O)Nc1cc(Cl)ccc1Cl 6044204 YYHUGRRVDIMZLK-UHFFFAOYSA-N 333.218 4.895 0 40 EJAB Cc1ccc(N[C@H]2c3ccccc3C(=O)N2CCC(C)C)c(F)c1 6501654 WDIZAEOUZIYRPA-LJQANCHMSA-N 326.415 4.747 0 40 EJAB CCCN1C(=O)S/C(=C/c2cn(C(C)C)c3ccccc23)C1=O 6629582 YPBHFTOROYRQFE-MHWRWJLKSA-N 328.437 4.669 0 40 EJAB Cc1cc(COc2ccc3c(=O)c(-c4ccccc4)c(C)oc3c2)no1 8224423 DLOQIHZRJCTXFQ-UHFFFAOYSA-N 347.370 4.644 0 40 EJAB O=C(CCSc1ccc(F)cc1)N[C@H]1CCSc2ccccc21 8394661 ZFDXTCNWSBZTSB-INIZCTEOSA-N 347.480 4.661 0 40 EJAB O=C(Nc1ccc(-c2cc3ccccc3oc2=O)cc1)c1ccccc1 9142039 WKJVBSGHFVPAEU-UHFFFAOYSA-N 341.366 4.712 0 40 EJAB COc1ccc(CC(=O)Nc2ccccc2-c2cccs2)cc1F 9691202 YCJKXOQWKHBTQS-UHFFFAOYSA-N 341.407 4.744 0 40 EJAB Cc1ccc2c(c1)S[C@H](C(=O)Nc1ccccc1C(C)(C)C)C2 11429890 MMCXLXUSYVJVJR-SFHVURJKSA-N 325.477 4.948 0 40 EJAB O=C(Cc1ccccc1)Nc1ccc(-c2nc3ccccc3o2)cc1 11914905 MBHNTPXJRHALIT-UHFFFAOYSA-N 328.371 4.676 0 40 EJAB Cc1cc(C)c2nc(NC(=O)c3ccc4ccccc4n3)sc2c1 14861797 PHDRNJKJCGCBFB-UHFFFAOYSA-N 333.416 4.714 0 40 EJAB O=C(N[C@H]1CCSc2c(F)cccc21)c1cc2ccccc2o1 16300602 HGAOFLBSEQHPJX-AWEZNQCLSA-N 327.380 4.539 0 40 EJAB CCCCCCOc1ccccc1C(=O)Nc1cc(N)ccc1F 19736621 DUZBYDDIBYNNOK-UHFFFAOYSA-N 330.403 4.619 0 40 EJAB COc1ccc2cc([C@H]3SCC(=O)N3C3CCCCC3)ccc2c1 19927478 MERCUSXXXPOULN-HXUWFJFHSA-N 341.476 4.755 0 40 EJAB CCCCSc1nnc(-c2ccc(O)cc2)n1-c1ccccc1 21793080 VEENTIUTBLSYCO-UHFFFAOYSA-N 325.437 4.532 0 40 EJAB c1ccc([C@@H](CNCCN2CCCCCC2)C2CCCCC2)cc1 22040746 WBVPCUCDHWCFHA-JOCHJYFZSA-N 328.544 4.816 0 40 EJAB c1ccc(-c2nc3ccccn3c2CN2CCc3ccccc3C2)cc1 22240588 CYKZKPWUKDNQDL-UHFFFAOYSA-N 339.442 4.560 0 40 EJAB COc1ccc(NC(=O)c2ccccc2Cl)cc1OC1CCCC1 24929297 JIHPPTHKLKMTRM-UHFFFAOYSA-N 345.826 4.922 0 40 EJAB Cc1ccc(NC(=O)CSc2ccc(Cc3ccccc3)o2)cc1 28527628 XAWAGABZSZOIST-UHFFFAOYSA-N 337.444 4.910 0 40 EJAB CCCc1nc(CSc2n[nH]c(/C=C/c3ccccc3)n2)cs1 32801715 MCJLYRNFQLKYTE-MDZDMXLPSA-N 342.493 4.676 0 40 EJAB O=C(Nc1cccc(Cl)c1F)NC1CCC(C(F)(F)F)CC1 43450246 ZRMWYZYBMAMFIT-UHFFFAOYSA-N 338.732 4.722 0 40 EJAB O=C(/C=C/c1ccccn1)Nc1ccc(-c2nc3ccccc3o2)cc1 47520519 MYXNMGASYTWRMT-OUKQBFOZSA-N 341.370 4.542 0 40 EJAB O=C(N[C@@H]1CCCc2c1[nH]c1ccc(F)cc21)c1ccc2cc[nH]c2c1 96115853 KDYUFMDRKVINLU-GOSISDBHSA-N 347.393 4.596 0 40 EJAB biogenic Clc1cccc(Nc2nc(Cl)nc(NC3CCCCC3)n2)c1 199800158 WPNDMNUKXQKIHN-UHFFFAOYSA-N 338.242 4.667 0 40 EJAB Cc1ccc2oc(-c3ccc(N(C)C)c(Br)c3)nc2c1 216878941 VMROIEKJWNVDKT-UHFFFAOYSA-N 331.213 4.632 0 40 EJAB Cc1ccc(C)c([C@H](C)NC(=O)CSCc2ccccc2F)c1 222705955 RPNXWEZTQNQZTA-HNNXBMFYSA-N 331.456 4.553 0 40 EJAB CC(C)OC(=O)c1ccc(Nc2ccc(Cl)cc2Cl)c(N)c1 225427669 NUKYNRKLBAWQAB-UHFFFAOYSA-N 339.222 4.884 0 40 EJAB CC(C)Oc1ccc(CNC(=S)Nc2cccc(Cl)c2)cc1 225445584 AKYJIRDIEPWKNI-UHFFFAOYSA-N 334.872 4.614 0 40 EJAB CC(=O)c1cn(CCOc2ccc(Cl)c(C)c2)c2ccccc12 409198669 CSLWPJGPKGIRHE-UHFFFAOYSA-N 327.811 4.885 0 40 EJAB O=C(c1ccc(Br)cc1OC(F)(F)F)C1CCCC1 575362630 MUDVVKOPYMHMRY-UHFFFAOYSA-N 337.135 4.721 0 40 EJAB CC(C)C[C@@]1(C)CCCN1C(=O)c1cc(C(F)(F)F)ccc1F 622637579 ANAOSYMQYKNVBC-MRXNPFEDSA-N 331.353 4.885 0 40 EJAB CCOC(=O)c1sc2nc(C)c(Cl)c(C)c2c1-n1cccc1 95102 FJKILPUGKVKVGU-UHFFFAOYSA-N 334.828 4.534 0 40 EJAB Cc1ccc2c(c1)c1c3n2CCN(C(=O)c2ccccc2F)[C@@H]3CCC1 105629 SREQSSNYTYQMGW-HXUWFJFHSA-N 348.421 4.622 0 40 EJAB COC(=O)[C@@H](CC(=O)c1ccc(Cl)cc1)c1ccc(C(C)C)cc1 1397644 RGPWQHRBJXQEEG-SFHVURJKSA-N 344.838 4.993 0 40 EJAB Cc1ccc(C23C[C@H]4C[C@H](CC(CC(=O)N5CCCC5)(C4)C2)C3)cc1 1447065 JBGRADCLZSHDPF-MGAZVUHYSA-N 337.507 4.846 0 40 EJAB Cc1ccc([C@@H]2C=C(c3cccnc3)Nc3nc4ccccc4n32)cc1 2914874 DVOXPFWFPRDRAF-NRFANRHFSA-N 338.414 4.796 0 40 EJAB COc1ccc(CNC(c2ccccc2)c2ccccc2)cc1OC 4657416 DDBLNGFZDILXGT-UHFFFAOYSA-N 333.431 4.583 0 40 EJAB O[C@@](c1ccccc1)(c1ccccn1)c1ccc2c3c(cccc13)CC2 4728678 KTNCZDQYFFALDU-XMMPIXPASA-N 337.422 4.618 0 40 EJAB Cc1ccc(-n2c(C)c(C)c3c(Nc4nccs4)ncnc32)cc1 5346099 OCSNJKHUTCUXEN-UHFFFAOYSA-N 335.436 4.546 0 40 EJAB Cc1ccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1Cl 5547221 NQABWPFCSYUMBY-UHFFFAOYSA-N 338.234 4.936 0 40 EJAB S=C(NCCCc1ccccc1)Nc1ccc(Cl)cc1Cl 6529437 MMROJIFZYXCLRO-UHFFFAOYSA-N 339.291 4.913 0 40 EJAB COc1ccc(Cl)cc1NC(=O)Cc1coc2cc(C)cc(C)c12 6809785 DATAZKQBEMVUNR-UHFFFAOYSA-N 343.810 4.893 0 40 EJAB Clc1cccc(-c2ccc(CNCc3ccc4c(c3)OCO4)o2)c1 7524836 TYGPYKZFMXGYBM-UHFFFAOYSA-N 341.794 4.619 0 40 EJAB O=C(c1ccc2c(c1)CCC2)N1CCC[C@@H]1c1nc2ccccc2s1 7777667 VXDKFUSMXPPHSM-GOSISDBHSA-N 348.471 4.762 0 40 EJAB CCOc1ccc(NC(=O)[C@@H](CC)Oc2ccc(Cl)cc2)cc1 8479708 IUYGSZNYWVHCDM-QGZVFWFLSA-N 333.815 4.535 0 40 EJAB Cc1cc(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)no1 12736277 LEXIQBVGCUQYKE-UHFFFAOYSA-N 336.269 4.514 0 40 EJAB CC(C)(C)NCC(=O)Nc1ccccc1Sc1ccc(Cl)cc1 12770197 ITNJQJIJBBNPRD-UHFFFAOYSA-N 348.899 4.818 0 40 EJAB C[C@H](NC(=O)CCSCc1cccc(Cl)c1)c1ccccc1 12913343 VRKINVRTRRJMNC-AWEZNQCLSA-N 333.884 4.841 0 40 EJAB O=C(/C=C/c1ccco1)N1CCCC[C@@H]1c1nc2ccccc2s1 12925243 MNGIZUSZLQJHHU-SIFUEBAJSA-N 338.432 4.656 0 40 EJAB C[C@H](NC(=O)c1csc(-c2ccccc2)n1)c1ccc(F)c(F)c1 12993318 APZSIBGDUSMZMR-NSHDSACASA-N 344.386 4.579 0 40 EJAB COc1ccc(-c2ccc(CCC(=O)Nc3cccc(C)c3)o2)cc1 15867415 MTXAXVLZOJDGGD-UHFFFAOYSA-N 335.403 4.835 0 40 EJAB Cc1cccc(C(=O)Nc2cccc(Cl)c2N2CCCCC2)c1 16349137 YNYFFZSAUBUAJN-UHFFFAOYSA-N 328.843 4.891 0 40 EJAB C[C@H](NC(=O)c1ccc(Br)o1)c1ccc2ccccc2c1 17962656 ZDTBUXMKKVNAPS-NSHDSACASA-N 344.208 4.686 0 40 EJAB Cc1cccc(Nc2ncnc3c2cnn3-c2ccc(C)c(Cl)c2)c1 24013001 OGDAIBAOHZCECD-UHFFFAOYSA-N 349.825 4.829 0 40 EJAB C[C@@H](Cc1cccs1)N(Cc1ccccc1)C(=O)c1ccoc1 32841403 NKJOWAHYGSPDKJ-HNNXBMFYSA-N 325.433 4.615 0 40 EJAB CC(C)Oc1ccc(CNC(=S)Nc2ccccc2Cl)cc1 45709126 NJPRBWDXZGEYMX-UHFFFAOYSA-N 334.872 4.614 0 40 EJAB Cc1ccc(C(=O)N2CCC(c3c(C)[nH]c4ccccc34)CC2)c(O)c1 58429921 MAFIZSPYUJZEIH-UHFFFAOYSA-N 348.446 4.510 0 40 EJAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N[C@@H](C)c1ccc(C)c(C)c1 59351321 ULZLZXMBLSSVTQ-AZUAARDMSA-N 339.479 4.955 0 40 EJAB Clc1ccc([C@H](c2ccccc2)n2nnc(-c3ccccc3)n2)cc1 59459362 LUCJAASIACSHSJ-IBGZPJMESA-N 346.821 4.631 0 40 EJAB C[C@@H](N[C@H](C)c1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1 69514820 VSAZFLLOXDCXET-CHWSQXEVSA-N 327.815 4.802 0 40 EJAB Cc1nc(COC(=O)c2cc(C(C)C)cc(C(C)C)c2O)oc1C 84061506 LBZRQZMTFPKCFH-UHFFFAOYSA-N 331.412 4.601 0 40 EJAB CCCC[C@H](CC)CNC(=O)[C@@H](CC)Oc1ccccc1Cl 224440381 RGPFURWAUVEAAC-GOEBONIOSA-N 325.880 4.830 0 40 EJAB CCCCOCc1cc(C(=O)Nc2ccc(F)cc2)ccc1OCC 224726105 LXQJAWPPQPRGFQ-UHFFFAOYSA-N 345.414 4.793 0 40 EJAB CCCCc1ccc(Nc2ccc(N)cc2C(=O)N2CCCC2)cc1 225493547 JRLBBQWSQQETNZ-UHFFFAOYSA-N 337.467 4.591 0 40 EJAB CC[C@H](C)Oc1c(C)cc(NC(=O)C2(OC)CCCCC2)cc1C 225629718 RQXYPYAADZDSJS-INIZCTEOSA-N 333.472 4.769 0 40 EJAB CCc1s/c(=N\C(=O)c2ccccc2)n(CC)c1-c1ccccc1 408562280 OOSCXSZCPDFDIF-MRCUWXFGSA-N 336.460 4.540 0 40 EJAB Brc1ccc(Nc2nc(-c3ccccn3)cs2)cc1 88191 FWCHESSKLZHMFP-UHFFFAOYSA-N 332.226 4.711 0 40 EJAB c1ccc(-c2csc3ncnc(Nc4ccc5c(c4)OCO5)c23)cc1 137146 PXDKPQIABWMZSL-UHFFFAOYSA-N 347.399 4.831 0 40 EJAB CC[C@@](C)(CC(=O)NCc1ccc(OC(C)C)cc1)c1ccccc1 530799 GQAGYQMHJDLKGK-QFIPXVFZSA-N 339.479 4.848 0 40 EJAB COc1ccc(-c2csc(N3CC[C@@H](c4ccccc4)C3)n2)cc1 968730 ATYWJSBJXOJMAI-QGZVFWFLSA-N 336.460 4.813 0 40 EJAB CCCCc1ccc(NC(=O)CCCOc2ccccc2OC)cc1 1892978 WBODDIDZAHBFBF-UHFFFAOYSA-N 341.451 4.836 0 40 EJAB CCCCc1ccc(NC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1 1904328 HVEZPBWGPQTQNW-GXDHUFHOSA-N 339.435 4.698 0 40 EJAB CCC[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)NC(C)C 2326526 RIPALYDKMCHMGD-XBCQCDMNSA-N 333.475 4.835 0 40 EJAB Cc1ccccc1NC(=O)/C=C/c1cc(Br)ccc1F 3359583 IODNUQDFQCNJHC-RMKNXTFCSA-N 334.188 4.549 0 40 EJAB O=C(c1cccnc1)N(c1ccc(F)cc1)c1nc2ccccc2s1 4980024 RCWIECIVOBAVCV-UHFFFAOYSA-N 349.390 4.809 0 40 EJAB CSc1ccc(C(=O)Nc2nc3c(F)cc(F)cc3s2)cc1 5222891 MSIUACKGMHDHQP-UHFFFAOYSA-N 336.388 4.549 0 40 EJAB C[C@@H](NC(=O)C1c2ccccc2Oc2ccccc21)c1cccs1 5579010 NKBCFNRYMLRSFM-CYBMUJFWSA-N 335.428 4.863 0 40 EJAB Cc1cc(C)c(NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)c(C)c1 5779281 SDNJSNOQOPPJFK-HNNXBMFYSA-N 331.843 4.980 0 40 EJAB Cc1cccc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)c1C 6342095 WOKNHVQSHJFVRN-UHFFFAOYSA-N 326.396 4.818 0 40 EJAB O=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)C1CCCC1 7670843 UOPSWQKZAUXTMN-UHFFFAOYSA-N 328.393 4.792 0 40 EJAB CCOc1ccc(OCC)c(NC(=O)C[C@H](C)c2ccccc2)c1 12767511 TZDHDJWTJLGMEP-HNNXBMFYSA-N 327.424 4.616 0 40 EJAB Cc1ccccc1/C=C/c1nc2ccccc2c(=O)n1-c1ccccc1 12806076 MTRVYWPAYDOVSC-FOCLMDBBSA-N 338.410 4.865 0 40 EJAB CC[C@@H](NC(=O)COc1cc(C)cc(C)c1C)c1ccc(C)cc1 20110505 FLNLHBWNSNDZPD-LJQANCHMSA-N 325.452 4.567 0 40 EJAB C[C@H](N[C@H](C)c1ccccc1Cl)c1nnc(-c2ccccc2)o1 26362653 SJLYNPRQXHSQDD-OLZOCXBDSA-N 327.815 4.802 0 40 EJAB Cc1cc(OCc2ccc(C(=O)N3CCC[C@H](C)C3)o2)ccc1Cl 27937643 QPLCILHPNAZWMG-ZDUSSCGKSA-N 347.842 4.693 0 40 EJAB Cc1c(C(=O)Nc2ccccc2N2CCCC2)oc2c(F)cccc12 32718949 ZWEPTYNNCOMTCZ-UHFFFAOYSA-N 338.382 4.733 0 40 EJAB OC1=Nc2c(ncn2-c2cccc(Cl)c2)[C@H](c2cccs2)C1 36352880 UFIKHPWWKORZSK-LBPRGKRZSA-N 329.812 4.711 0 40 EJAB COc1ccc([C@@H]2CCCN2C(=O)CCC2CCCCC2)c(OC)c1 40009664 NPCIPMATLJCZIS-IBGZPJMESA-N 345.483 4.728 0 40 EJAB CC[C@H](Oc1cccc2ccccc12)C(=O)N(C)Cc1ccc(C)cc1 44902707 WGVJGXHQJYUXLA-NRFANRHFSA-N 347.458 4.964 0 40 EJAB CN(C)Cc1cccc(NC(=O)c2sccc2-c2ccccc2)c1 47460251 QFLVUWCVTMKGTD-UHFFFAOYSA-N 336.460 4.729 0 40 EJAB COc1ccc2c(c1)CCN2C(=O)N[C@@H](c1ccccc1)C(C)(C)C 58439545 IWKSNMDIFJWUMC-IBGZPJMESA-N 338.451 4.555 0 40 EJAB COc1ccc2c(c1)CCCN2C(=O)Nc1ccc(C(C)(C)C)cc1 59461504 BIIMKOJSXSJVKK-UHFFFAOYSA-N 338.451 4.977 0 40 EJAB O=C(c1ccc(F)cc1)N1CCS[C@@H](c2ccccc2Cl)CC1 208045960 IFPINRBZLVIPSI-QGZVFWFLSA-N 349.858 4.800 0 40 EJAB Cc1ccc([C@H](NC(=S)Nc2ccncc2)c2ccccc2)c(C)c1 225769711 IMXQJPRUNZEQNJ-HXUWFJFHSA-N 347.487 4.774 0 40 EJAB O=C(O)COc1ccc(-c2nc3cc(-c4ccccc4)ccc3o2)cc1 226295273 WTOYXIHYAWQKHX-UHFFFAOYSA-N 345.354 4.625 0 40 EJAB CC[C@H]1CCCCN1C(=O)c1c(-c2ccccc2Cl)noc1C 304203 RPLATHNAIQXCMZ-ZDUSSCGKSA-N 332.831 4.708 0 40 EJAB O=C(OCc1ccc(F)cc1)c1c2c(nc3ccccc13)CCCC2 563764 OPPZJGGKZPNOAA-UHFFFAOYSA-N 335.378 4.610 0 40 EJAB COc1ccc(Cl)cc1NCC(=O)Nc1cccc2ccccc12 3487016 BHBGJYUIUKRIPI-UHFFFAOYSA-N 340.810 4.552 0 40 EJAB COc1ccc2oc(C(=O)Nc3cccc4ncccc34)c(C)c2c1 6590596 PNSATHRQBCUILR-UHFFFAOYSA-N 332.359 4.550 0 40 EJAB COc1ccc(-c2ccc3c(C)nn(-c4ccc(F)cc4)c3n2)cc1 6654305 JBBHXLDDXHFSTR-UHFFFAOYSA-N 333.366 4.544 0 40 EJAB O=C(Cc1cccc(F)c1)Nc1ccc(Cl)c(C(F)(F)F)c1 6840081 RKHZSFOPLRISRO-UHFFFAOYSA-N 331.696 4.679 0 40 EJAB C[C@H](Nc1ccc(F)cc1)C(=O)Nc1cc(Cl)ccc1Cl 7382733 SWPWIGOIYHHXQA-VIFPVBQESA-N 327.186 4.572 0 40 EJAB COc1cccc(CN(C)C(=S)Nc2ccc(C(C)C)cc2)c1 7582199 VABVZQYDSUQILN-UHFFFAOYSA-N 328.481 4.647 0 40 EJAB C[C@@H](Sc1nnc(-c2ccccc2)o1)C(=O)c1c[nH]c2ccccc12 8234123 DOVOCBDIOVTTDG-GFCCVEGCSA-N 349.415 4.581 0 40 EJAB CN(Cc1ccccc1)C(=O)c1csc(-c2ccc(Cl)cc2)n1 12818207 XAEQSHUQSZZEDK-UHFFFAOYSA-N 342.851 4.736 0 40 EJAB Cc1ccc(C(=O)Nc2ccccc2SCC(F)(F)F)cc1 12905773 UJPBPEDZNXXRGO-UHFFFAOYSA-N 325.355 4.902 0 40 EJAB S=C(Nc1ccc2c(c1)OCO2)Nc1cc(Cl)ccc1Cl 13788124 HJTHSPQXMAIGKG-UHFFFAOYSA-N 341.219 4.531 0 40 EJAB COc1ccc(NC(=S)Nc2ccc(Cl)c(Cl)c2)cc1 13788288 KLJCBNSZKFOVAE-UHFFFAOYSA-N 327.236 4.811 0 40 EJAB OCc1cc(Br)ccc1OCc1cccc2ccccc12 14358648 OHVXUFAZXGRLRB-UHFFFAOYSA-N 343.220 4.674 0 40 EJAB O=C(c1ccc(F)c(F)c1)N1CCC[C@@H]1c1nc2ccccc2s1 15541966 JVNNBNRYPXABJH-OAHLLOKOSA-N 344.386 4.552 0 40 EJAB COc1c(OC/C=C(/C)CCC=C(C)C)ccc2ccc(=O)oc12 17288618 MJWGWXGEAHRWOV-QINSGFPZSA-N 328.408 4.873 0 40 EJAB c1ccc(CNCc2cn(-c3ccccc3)nc2-c2ccccc2)cc1 17309829 YLZHFPWYEOEWAW-UHFFFAOYSA-N 339.442 4.829 0 40 EJAB Clc1ccc([C@H]2[C@H]3CCCC[C@H]3[C@@H]2NCc2cccnc2)cc1 19339710 VFLJBQSLKAAEQO-YRPNKDGESA-N 326.871 4.797 0 40 EJAB CCSc1ccccc1NC(=O)c1ccc(CN2CCCC2)cc1 20459555 QLEQSEPEACBAKL-UHFFFAOYSA-N 340.492 4.647 0 40 EJAB Cc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccccc2Cl)c(C)c1 20460762 ZOMITSSNCJWJEH-LSDHHAIUSA-N 331.843 4.602 0 40 EJAB Cc1cc(C(=O)N[C@@H](C)c2ccccc2Br)sc1C 24018210 VVYBBKPUIWTPOT-JTQLQIEISA-N 338.270 4.618 0 40 EJAB Cc1c(C)n(C)c2ccc(C(=O)Nc3nc4ccccc4s3)cc12 27979960 XOGBZDKQNNSXHZ-UHFFFAOYSA-N 335.432 4.657 0 40 EJAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCc2ccccc2C1 30854987 BMTROBQBOHUYGR-SFHVURJKSA-N 345.895 4.796 0 40 EJAB CC1CCN(c2nc(-c3ccc(Cl)cc3)cc(C(F)F)n2)CC1 36613754 RLCOGGPYXGKDFI-UHFFFAOYSA-N 337.801 4.971 0 40 EJAB CC(C)c1ccc(NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)cc1 38833692 ADLWNTZVQMQLTH-FQEVSTJZSA-N 336.479 4.661 0 40 EJAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N[C@H](C)c1cc(C)ccc1C 59351529 HSUXIQSVIDFYPS-WIYYLYMNSA-N 339.479 4.955 0 40 EJAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N[C@H](C)c2ccccc2)c1 69634242 MXFJSTGAFRECGV-IAGOWNOFSA-N 325.452 4.763 0 40 EJAB CCCc1cc(O)n2nc(Cc3ccccc3)c(-c3ccccc3)c2n1 102709227 MQCJDNRPKSZHTL-UHFFFAOYSA-N 343.430 4.645 0 40 EJAB CCOC(=O)c1ccc(OCc2ccc(F)cc2Cl)c(Cl)c1 216814546 XFCPHPKDTDWEIO-UHFFFAOYSA-N 343.181 4.888 0 40 EJAB Cc1ccc(CCC(=O)NCCOc2ccc3ccccc3c2)cc1C 223642175 VGLRYXMCGKUKGC-UHFFFAOYSA-N 347.458 4.584 0 40 EJAB Cc1ccc(C[C@@H](Oc2ccccc2C(C)C)C(=O)O)cc1Cl 225080192 OZMJPDOPLJRTCX-GOSISDBHSA-N 332.827 4.847 0 40 EJAB CCSc1ccccc1C(=O)N[C@@H](CC)c1ccc(OC)c(C)c1 225677449 KYXHFTZDQSVRNE-KRWDZBQOSA-N 343.492 4.997 0 40 EJAB Cc1ccc(C)c(NC(=S)N[C@H](C)COc2ccc(C)c(C)c2)c1 225788862 VAFWCJYOKPRCGO-QGZVFWFLSA-N 342.508 4.674 0 40 EJAB Cn1ccc2c(C(=O)N3CC4(CCCC4)c4c(F)cccc43)cccc21 588856275 DRCSRLPORZDFHF-UHFFFAOYSA-N 348.421 4.790 0 40 EJAB O=C(/C=C/c1ccc(Cl)cc1)N1CCCC[C@H]1c1cccnc1 123488 ZQNLVSARDLMXNR-MZEUMTGBSA-N 326.827 4.502 0 40 EJAB Clc1ccccc1CSc1nnc(COc2ccccc2)o1 268638 OLCUZHXEFLXOEE-UHFFFAOYSA-N 332.812 4.594 0 40 EJAB CSc1ccccc1-c1nnc(-c2ccc(Br)cc2)o1 1397874 GAVUVVDBUKSDOY-UHFFFAOYSA-N 347.237 4.888 0 40 EJAB CCCCOc1cc2occ(-c3nc(C)cs3)c(=O)c2cc1CC 2281367 NZDXWWKKEYTNHG-UHFFFAOYSA-N 343.448 4.966 0 40 EJAB Cc1cccc(Nc2nc(-c3ccc(F)cc3)c(CC(=O)O)s2)c1 4636205 RCMFXGXPMSURDL-UHFFFAOYSA-N 342.395 4.628 0 40 EJAB O=C(Nc1ncc(C(F)(F)F)cc1Cl)c1ccc(Cl)cc1 5569524 IBGQCCFGSBPPSA-UHFFFAOYSA-N 335.112 4.660 0 40 EJAB Cc1ccc2c(CSc3nc4ccccc4[nH]3)cc(=O)oc2c1C 5628370 CVSPZAZHMPSOBS-UHFFFAOYSA-N 336.416 4.578 0 40 EJAB Cc1ccsc1[C@@H]1CC(=O)Nc2[nH]nc(-c3ccc(Cl)cc3)c21 5885796 FCWWWWJAGQEPFF-GFCCVEGCSA-N 343.839 4.574 0 40 EJAB O=C1/C(=C/c2ccco2)SC(=S)N1c1cccc2ccccc12 6244107 VWLUSKIWBNYTDN-WJDWOHSUSA-N 337.425 4.839 0 40 EJAB CCCCC1=N[C@H]2Sc3c(OCC)ncnc3[C@@H]2C2=C1CCC2 6309834 MAQIBBSNIMFISD-KSSFIOAISA-N 329.469 4.516 0 40 EJAB O=C(Nc1ccc(-c2ccccc2)cc1)c1cc(=O)c2ccccc2o1 8327023 DYCXJCRZMTXHEW-UHFFFAOYSA-N 341.366 4.712 0 40 EJAB Cc1cccc(NC(=O)N(C2=NCCC2)c2cccc(Cl)c2)c1 10165999 BMUSEUFWFPHQNE-UHFFFAOYSA-N 327.815 4.879 0 40 EJAB COC1(OC)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 12661478 LLKUOQXUUFDONQ-BGZMIMFDSA-N 334.500 4.587 0 40 EJAB biogenic O=C(Nc1ccc(Cl)cc1)N[C@@H]1CCSc2ccc(F)cc21 13003025 CJMJSRBZRPGSNF-CQSZACIVSA-N 336.819 4.838 0 40 EJAB CC(C)c1ccc(-c2nonc2NC(=O)c2ccccc2Cl)cc1 13728141 PCZKNILBGOAQFR-UHFFFAOYSA-N 341.798 4.766 0 40 EJAB C[C@H](CCc1ccccc1)NC(=O)Cc1ccc(Cl)cc1Cl 14137544 KVITUBIBKSQVEN-CYBMUJFWSA-N 336.262 4.673 0 40 EJAB Cc1ccc(SCC(=O)N[C@H](C)c2cc3ccccc3o2)cc1 18221268 LIFYTPSDUPCKLI-CQSZACIVSA-N 325.433 4.711 0 40 EJAB Cc1ccc2oc(CN(C)Cc3nnc(-c4ccccc4)o3)c(C)c2c1 19220467 AVMZCIMNMIBRBD-UHFFFAOYSA-N 347.418 4.732 0 40 EJAB COc1ccc(CCNCc2ccc(-c3cccc(Cl)c3)o2)cc1 22076587 AUUDTDGXKPQBMH-UHFFFAOYSA-N 341.838 4.941 0 40 EJAB C[C@@H](NCc1ccc(-n2ccnc2)cc1)c1cccc2ccccc12 22788083 PIQJOOOTACAFAE-QGZVFWFLSA-N 327.431 4.876 0 40 EJAB Cc1ccc(NC(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)cc1 23390969 CEGACGHMGPMDAL-UHFFFAOYSA-N 349.434 4.740 0 40 EJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N[C@@H](C)CCc1ccccc1 30849015 XPGVYYBZELJCDL-GHTZIAJQSA-N 339.479 4.598 0 40 EJAB COc1ccc2cc([C@@H](C)C(=O)Nc3ccccc3OC)ccc2c1 68755532 VWQSJOYKSIRVTE-CQSZACIVSA-N 335.403 4.599 0 40 EJAB O=C(c1ccccc1)N1CCCC[C@H]1c1ccc(NC2CCCC2)nc1 72213995 XUEPRHGUEQKBJX-FQEVSTJZSA-N 349.478 4.804 0 40 EJAB Cc1cc(CNC(=O)OC(C)(C)C)cnc1Sc1ccccc1 72222141 QJLYVPZYAUXYHD-UHFFFAOYSA-N 330.453 4.566 0 40 EJAB CCc1ccc([C@@H](C)NC(=O)[C@@H](CC)Oc2ccc(C)c(C)c2)cc1 78458383 SMYARNVJRKAJDF-DYESRHJHSA-N 339.479 4.901 0 40 EJAB CCc1ccc([C@@H]2C[C@H](C)CCN2c2ncnc3ccsc23)o1 83825412 TYFYBKFYAIPFQQ-DOMZBBRYSA-N 327.453 4.824 0 40 EJAB CC[C@@H](C(=O)NCc1ccc(-c2nccs2)cc1)c1ccccc1 85558428 RIYWVMWWGIDHBP-GOSISDBHSA-N 336.460 4.620 0 40 EJAB CCCOCc1cc(C(=O)N[C@H](C)c2ccccc2)ccc1OCC 224703526 NIRXHURRPNQLJF-MRXNPFEDSA-N 341.451 4.503 0 40 EJAB O=C(O)[C@@H](Cc1cc(Cl)cc(Cl)c1)Oc1cccc(Cl)c1 225090558 NXHKIQAIRONZAF-CQSZACIVSA-N 345.609 4.722 0 40 EJAB Cc1ccc(NC(=S)NCCCSCc2ccco2)cc1C 225592702 XRQYTJUYMQGXPO-UHFFFAOYSA-N 334.510 4.506 0 40 EJAB CN(C(=O)C[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccc2cc[nH]c2c1 1525211396 COBNDTRRZIAYLT-OCCSQVGLSA-N 338.373 4.890 0 40 EJAB CN(Cc1cccc2ccccc12)C(=O)c1c(F)ccc2ccncc12 1544462241 ACGXKCRDWYNDSS-UHFFFAOYSA-N 344.389 4.799 0 40 EJAB Cc1ccc2nc(NC(=O)Cc3cccc4ccccc34)sc2c1 136927 BBSUYTNFGVIMCV-UHFFFAOYSA-N 332.428 4.939 0 40 EJAB O=C(c1cccs1)N1CCS[C@H]1c1ccc(C(F)(F)F)cc1 327992 FYIZDJWDACNZAC-AWEZNQCLSA-N 343.395 4.655 0 40 EJAB Cc1cc(C)c2nc(SCC(=O)N(C(C)C)C(C)C)cc(C)c2c1 416376 WYQUZXSAGWKXCU-UHFFFAOYSA-N 344.524 4.898 0 40 EJAB CC(=O)c1c(C)n(-c2cccc(Br)c2)c2ccc(O)cc12 980151 IEEBAAJFZRXVSG-UHFFFAOYSA-N 344.208 4.610 0 40 EJAB Cc1cc2n(n1)[C@@H](C(F)(F)C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2 2783388 JIZFPFIDCXNZOD-NWDGAFQWSA-N 349.278 4.626 0 40 EJAB CC[C@H](C)c1ccccc1NC(=O)[C@H](C)N(C)Cc1ccccc1C 6841324 FEQFRLZEPJCXTE-WMZOPIPTSA-N 338.495 4.968 0 40 EJAB Cc1cc2oc(=O)cc(CSC3=NCCS3)c2cc1C(C)C 8329337 UBHPPSGHNVYCRW-UHFFFAOYSA-N 333.478 4.561 0 40 EJAB COc1cccc(CSc2nnc(-c3cccc(Cl)c3)o2)c1 8428577 BOOGVFMOPXHQHU-UHFFFAOYSA-N 332.812 4.691 0 40 EJAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1ccccc1F 8762350 TUGCQQZKHAMRDR-UHFFFAOYSA-N 344.773 4.705 0 40 EJAB ClC1(Cl)C[C@@H]1CSc1nc(C2CC2)nc2ccccc12 10945475 MZCXPUFHWSIUDG-SNVBAGLBSA-N 325.264 4.793 0 40 EJAB CCC[C@H](O)c1nc2ccccc2n1CCOc1ccccc1Cl 11692493 YWWMTMCPOJXCSH-KRWDZBQOSA-N 344.842 4.602 0 40 EJAB CC(C)OCc1ccc(C(=O)Nc2ccc(O)c3ccccc23)cc1 12552960 WUZCPJPAAAUTBN-UHFFFAOYSA-N 335.403 4.723 0 40 EJAB O=C(CCCc1cccs1)Nc1nc(-c2cccs2)cs1 12783850 XHFYXULTVURJIG-UHFFFAOYSA-N 334.491 4.895 0 40 EJAB Cc1cc(C(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)c(C)o1 14603092 KRWGJJGSOXTNAO-UHFFFAOYSA-N 338.432 4.761 0 40 EJAB CN(C(=O)c1csc(-c2ccc(Cl)cc2)n1)C1CCCCC1 17357021 AYHJJMNTGKTMBU-UHFFFAOYSA-N 334.872 4.868 0 40 EJAB COC(=O)/C=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1 20133949 OIAMKGMNMCEKJZ-JXMROGBWSA-N 337.202 4.759 0 40 EJAB C[C@@H](SCc1ccccc1)C(=O)N[C@@H]1CCCc2ccccc21 20493443 WEIKEJRICRNHPM-DNVCBOLYSA-N 325.477 4.502 0 40 EJAB O=C(/C=C/c1ccccc1OC(F)F)N1CCC[C@H]1c1ccccc1 22328806 ZYQXADCSODVOJE-UJGDBWEASA-N 343.373 4.665 0 40 EJAB C[C@H]1C[C@@H]1c1ccc(CN(C)C(=O)COc2ccc3ccccc3c2)o1 29885428 QQXDNBGBKZVMIL-YWZLYKJASA-N 349.430 4.594 0 40 EJAB C[C@@H](c1cc2ccccc2o1)N(C)Cc1nnc(-c2ccccc2)o1 30005528 PUDNZQAUXMRESW-AWEZNQCLSA-N 333.391 4.676 0 40 EJAB O=C(/C=C/c1ccccc1)Nc1cccc(-c2nc3cnccc3o2)c1 32070025 NHTRIYPEJIJXIT-MDZDMXLPSA-N 341.370 4.542 0 40 EJAB O=C(CCC1CCCC1)Nc1cnn(Cc2ccc(F)cc2Cl)c1 32609669 YCILXIZWDSFKSI-UHFFFAOYSA-N 349.837 4.633 0 40 EJAB O=C(CCc1cccnc1)Nc1ccc(SC2CCCC2)cc1 32809459 QTSJQRLMTBQSQJ-UHFFFAOYSA-N 326.465 4.688 0 40 EJAB Cc1cccc(NC(=O)c2c(Br)c3ccccc3n2C)c1 32915715 KYQJWRPNNNDOAR-UHFFFAOYSA-N 343.224 4.502 0 40 EJAB Cc1cccc(C)c1NC(=O)CCc1ncc(-c2ccc(F)cc2)o1 41019242 QQQUIWXYMIJDAG-UHFFFAOYSA-N 338.382 4.669 0 40 EJAB COc1cc(Br)c2oc(-c3cccc(Cl)c3)nc2c1 45920278 GZNGCFYYAFLXCE-UHFFFAOYSA-N 338.588 4.919 0 40 EJAB Cc1cc(C)n2cc(CSC3=Nc4ccccc4CS3)nc2n1 52463458 YHPXNKDFCOCAOK-UHFFFAOYSA-N 340.477 4.514 0 40 EJAB CCc1ccc(O[C@H](CC)C(=O)N[C@H](C)c2cc(C)ccc2C)cc1 59351541 PNYFQDZILXGCMZ-DYESRHJHSA-N 339.479 4.901 0 40 EJAB C[C@H](c1cc2ccccc2o1)N(C)Cc1noc(-c2cccs2)n1 65538532 RQXPLQABOWAKOL-GFCCVEGCSA-N 339.420 4.737 0 40 EJAB COc1ccc(NC(=S)Nc2ccc(SC)cc2)cc1Cl 71761854 TXZJNVWKLZZHRU-UHFFFAOYSA-N 338.885 4.879 0 40 EJAB Cc1ccc(-c2nc(C)c([C@@H](C)N[C@@H](C)c3nnc(C)o3)s2)cc1 71902707 GCUOZFAYSHLNHA-YPMHNXCESA-N 342.468 4.530 0 40 EJAB CCc1ccc([C@H](C)NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 78457929 ITSVYAJXMITJBA-HNNXBMFYSA-N 345.870 4.775 0 40 EJAB Cc1cccc([C@H]2CCCN2C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)c1 84210699 RALDVZPZHZDPSD-HXUWFJFHSA-N 349.409 4.502 0 40 EJAB Cc1ccc(NC(=O)c2cc3c(c4ccccc4n3C)n2C(C)C)cn1 96037262 VETDUMZIAGXUDA-UHFFFAOYSA-N 346.434 4.670 0 40 EJAB c1ccc(CCCN2CCC[C@]23CCCN(Cc2ccccc2)C3)cc1 96214646 VTTLWTDQPJUEMZ-DEOSSOPVSA-N 348.534 4.750 0 40 EJAB c1ccc(N2[C@H]3Sc4ncccc4[C@H]2Sc2ncccc23)cc1 101039591 RLVYHVVWFIJYPG-HDICACEKSA-N 335.457 4.892 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)cc1 105847082 GXYWJCBQHJHQKX-CYBMUJFWSA-N 339.826 4.530 0 40 EJAB O=C(O)c1ccc2[nH]c(-c3cccc(OCc4ccccc4)c3)nc2c1 146069980 DMSKHPPJLLAOFB-UHFFFAOYSA-N 344.370 4.507 0 40 EJAB O=C(NCc1cccc2ccccc12)c1cccc(C(F)(F)F)c1 222963398 WRBJONGXYLMPEQ-UHFFFAOYSA-N 329.321 4.789 0 40 EJAB CC(C)(C)CC(C)(C)NC(=O)c1ccc(CN2CCCCC2)cc1 224095506 LOHOFMMOSQABRG-UHFFFAOYSA-N 330.516 4.617 0 40 EJAB COc1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1F 225387807 RPHITXQMULGSPO-UHFFFAOYSA-N 349.405 4.677 0 40 EJAB S=C(NCCCc1ccc(Cl)cc1)Nc1cccc(Cl)c1 225543070 LGURWFFPLOXGRG-UHFFFAOYSA-N 339.291 4.913 0 40 EJAB COC1(C(=O)Nc2ccc(OC3CCCC3)c(C)c2)CCC(C)CC1 225641465 BZPQWPOTICHSRR-UHFFFAOYSA-N 345.483 4.850 0 40 EJAB Cc1ccc(CC(=O)NCCCc2cccc3ccccc23)c(C)c1 225685342 WZRUMKHDPLJSIS-UHFFFAOYSA-N 331.459 4.748 0 40 EJAB CC(C)c1ccc(NC(=S)NC2(c3cccnc3)CCCC2)cc1 225843599 PSLDLCSMGMUNHI-UHFFFAOYSA-N 339.508 4.961 0 40 EJAB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCC)nc1 225908014 ISZGDYHDSRTKQQ-LJQANCHMSA-N 336.476 4.575 0 40 EJAB Cc1cc(/C=C2\SC(=O)N(CC(C)C)C2=O)c(C)n1C1CCCC1 409123506 CGNUHFSHSFGEEM-YVLHZVERSA-N 346.496 4.912 0 40 EJAB CC[C@H](c1cccc(OC)c1)N(C)Cc1cc2ccccc2c(O)n1 585083869 FXUWPWMTZLWHRO-HXUWFJFHSA-N 336.435 4.532 0 40 EJAB COP(=O)(OC)[C@H](Nc1ccc(Cl)cc1)c1ccccc1 2306211 KONUECVLMWQWKY-HNNXBMFYSA-N 325.732 4.937 0 40 EJAB O=C(Cc1cccc(Br)c1)c1ccc(C(F)(F)F)cc1 2393035 LTDFAEGYOSCTDK-UHFFFAOYSA-N 343.142 4.893 0 40 EJAB C[C@@H](NC(=O)COc1ccc2oc3ccccc3c2c1)c1ccccc1 2647910 ONKPHUDIAMXQJQ-OAHLLOKOSA-N 345.398 4.842 0 40 EJAB CCc1cccc(C)c1NC(=O)c1cc(OC)ccc1Br 3455985 YSWCUGSLZCQBDY-UHFFFAOYSA-N 348.240 4.581 0 40 EJAB COc1ccc(-c2cn3cc(-c4cccc(Cl)c4)n(C)c3n2)cc1 4678333 JTOHIYSTESQVHS-UHFFFAOYSA-N 337.810 4.669 0 40 EJAB O=C(/C=C/c1ccccc1)Nc1ccc(N2CCCCC2)c(Cl)c1 5616678 YEXGEJGNDWXGDH-FMIVXFBMSA-N 340.854 4.982 0 40 EJAB Cc1cc(Cl)cc(C(=O)CCCCCCCCC(=O)O)c1O 6188939 GEXMCFGFVVWQHS-UHFFFAOYSA-N 326.820 4.742 0 40 EJAB Cc1cccc(NC(=O)CCc2ncc(-c3ccccc3F)o2)c1C 8747689 KLYRCAQKYYNBCW-UHFFFAOYSA-N 338.382 4.669 0 40 EJAB CC(C)(C)c1ccc(NC(=O)c2ccc(CN3CCCC3)cc2)cc1 12773256 SOQYISWIJPWIBU-UHFFFAOYSA-N 336.479 4.832 0 40 EJAB CC(C)Oc1cccc(CNC(=O)c2ccc(Cl)cc2Cl)c1 13646115 SDFZZXHOWDMFPI-UHFFFAOYSA-N 338.234 4.711 0 40 EJAB O=C(Nc1c(F)cccc1F)c1ccccc1OCc1ccccc1 13687301 OUZJPRYFNVVQPU-UHFFFAOYSA-N 339.341 4.796 0 40 EJAB Cc1c(C(=O)N(C)CCOc2ccccc2)oc2c(Cl)cccc12 18072701 VOIIZJLIIAFKAP-UHFFFAOYSA-N 343.810 4.546 0 40 EJAB Clc1ccc([C@H]2[C@H]3CCCC[C@@H]3[C@@H]2NCc2cccnc2)cc1 19339701 VFLJBQSLKAAEQO-MUGJNUQGSA-N 326.871 4.797 0 40 EJAB COc1ccc(Nc2ncccc2C(=O)Nc2c(C)cccc2C)cc1 22073088 AJNZNQUYXFZELW-UHFFFAOYSA-N 347.418 4.703 0 40 EJAB Cc1ccc(NC(=O)c2ccccc2Br)c2cccnc12 31091661 CXBGFNREPREZJE-UHFFFAOYSA-N 341.208 4.558 0 40 EJAB C[C@@H](NC(=O)c1[nH]c2ccccc2c1Cl)c1ccc(F)cc1F 40144957 XVUIOXQMHVZFBH-SECBINFHSA-N 334.753 4.591 0 40 EJAB CCn1c(Cc2ccccc2)nnc1SCCCc1ccccc1 58023960 MSWDTUIHFGKDKM-UHFFFAOYSA-N 337.492 4.614 0 40 EJAB C[C@H]1c2ccsc2CCN1C(=O)c1[nH]c2ccccc2c1Cl 58417753 GAUSDBHGAPJQJR-JTQLQIEISA-N 330.840 4.642 0 40 EJAB Cc1ncc(CSc2nccn2-c2cccc(Cl)c2C)s1 65575505 OWUUXZSEHQJQLN-UHFFFAOYSA-N 335.885 4.891 0 40 EJAB Brc1ccc([C@H]2CCCCN2Cc2ccccc2)cn1 72211579 YUVABGLADCUINI-MRXNPFEDSA-N 331.257 4.571 0 40 EJAB Cc1ccsc1-c1nc(-c2cc3c(cc2F)NC(=O)CC3)cs1 84257587 FYJQLJQJOHHDGA-UHFFFAOYSA-N 344.436 4.871 0 40 EJAB CC(C)n1ncc2c1N=C(O)CS[C@H]2c1c(F)cccc1Cl 95475049 MQVGXHDJZJSPOO-CQSZACIVSA-N 339.823 4.681 0 40 EJAB Fc1ccc(Nc2ccccc2NCc2nnc(C3CC3)o2)c(F)c1 97048101 UOYQNYUROPUVQG-UHFFFAOYSA-N 342.349 4.581 0 40 EJAB CC(=O)c1cn(CC(=O)Nc2cccc3ccccc23)c2ccccc12 101174951 RAWUFUTYAVHVSW-UHFFFAOYSA-N 342.398 4.636 0 40 EJAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N[C@@H](C)c1ccc(C)cc1 113970448 WDUUUDQORWUHTD-FXAWDEMLSA-N 325.452 4.647 0 40 EJAB CC[C@H](NC(=O)Cc1ccc(C)c(C)c1)c1ccc2c(c1)CCCC2 223081138 WRQKUTSZPDURQH-QFIPXVFZSA-N 335.491 4.992 0 40 EJAB CCc1ccc(CC(=O)N[C@@H](CC)c2ccc3c(c2)CCCC3)cc1 223135494 CHIJJSXZRIDGRM-QFIPXVFZSA-N 335.491 4.938 0 40 EJAB CCCC[C@@H](CC)CNC(=O)CCCOc1ccc(Cl)cc1 224144745 URTHCYYCQGGJND-OAHLLOKOSA-N 325.880 4.832 0 40 EJAB CCCOC(=O)c1cc(N)ccc1Nc1cc(Cl)cc(Cl)c1 225476476 FLYYNBUJSDGAHD-UHFFFAOYSA-N 339.222 4.886 0 40 EJAB CCc1ccc([C@H](C)NC(=O)[C@@H](C)SCc2ccccc2)cc1 225494901 VKVQIMYVJHBVNH-JKSUJKDBSA-N 327.493 4.748 0 40 EJAB CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OC)c2ncccc12 225907681 ARKIBRYDYYWHOR-HXUWFJFHSA-N 344.455 4.557 0 40 EJAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1c(C)cccc1C(C)C 408702341 DGMBEACHVOJQPZ-IBGZPJMESA-N 341.451 4.923 0 40 EJAB Cc1nc(N2CCCSCC2)c2cc(-c3ccccc3)sc2n1 613524540 IYJRKOPOEXNMTD-UHFFFAOYSA-N 341.505 4.610 0 40 EJAB CCOC(=O)c1cnc2c(C)cccc2c1Nc1ccc(N(C)C)cc1 90602 AXEALLGHOKLSQA-UHFFFAOYSA-N 349.434 4.530 0 40 EJAB CC(C)Sc1nc2c(c(=O)[nH]1)[C@@H](C1CCCC1)Cc1ccccc1-2 376747 JUEYZSRDJXQDCM-MRXNPFEDSA-N 340.492 4.767 0 40 EJAB Cc1ccccc1C(=O)Nc1scc(-c2ccccc2)c1C(=O)O 552434 QVQTVQPQCKMPEM-UHFFFAOYSA-N 337.400 4.674 0 40 EJAB COc1ccc(-n2cnnc2SCc2cccc3ccccc23)cc1 2627332 PLHTUXIMGAJAKP-UHFFFAOYSA-N 347.443 4.721 0 40 EJAB O=C(Nc1nc2c(s1)CCCC2)C(c1ccccc1)c1ccccc1 2653091 GKGGUTBNGKINKB-UHFFFAOYSA-N 348.471 4.793 0 40 EJAB O=C(NCc1cccc(C(F)(F)F)c1)c1cc(Cl)ccc1Cl 3430525 FDRWJJADLYTHDW-UHFFFAOYSA-N 348.151 4.942 0 40 EJAB CN(C)c1nc(Sc2ccc3ccccc3c2)cc(C(F)(F)F)n1 3469919 JJXFUTHCLYHZNX-UHFFFAOYSA-N 349.381 4.866 0 40 EJAB CC[C@@H](C)[C@H](N)c1nnc(SCc2c(Cl)cccc2Cl)o1 5123783 RKOXCMNGTUCVHV-PELKAZGASA-N 346.283 4.715 0 40 EJAB C[C@@H]1C(=O)OC[C@@H]1C(c1ccccc1)(c1ccccc1)c1ccccc1 5187414 DKOSWZCNBQSOEC-AVRDEDQJSA-N 342.438 4.830 0 40 EJAB CCOc1ccc(NC(=O)c2ccccc2Cc2ccccc2)cc1 6340943 NKFMTKYZFBKDGJ-UHFFFAOYSA-N 331.415 4.928 0 40 EJAB FC(F)Oc1ccccc1-c1nnc(C23CC4CC(CC(C4)C2)C3)o1 6927178 LXOZMQSPNPQFIJ-UHFFFAOYSA-N 346.377 4.806 0 40 EJAB Cc1ccccc1C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 7688740 GJSQVCKTAWSOAW-UHFFFAOYSA-N 330.359 4.649 0 40 EJAB CN(CC(=O)c1c(-c2ccccc2)[nH]c2ccccc12)Cc1ccco1 7919006 LRNQUTXLRDSINJ-UHFFFAOYSA-N 344.414 4.743 0 40 EJAB C[C@H](NC(=O)COc1cccc2ccccc12)c1cc2ccccc2o1 8156416 CIHLLHBTEHOEDG-HNNXBMFYSA-N 345.398 4.842 0 40 EJAB CC1CCN(c2ccc(NC(=O)c3ccccc3F)cc2Cl)CC1 9064398 SOXHQPJWEYTJNK-UHFFFAOYSA-N 346.833 4.968 0 40 EJAB Brc1ccc(Nc2cc(-c3ccccc3)ncn2)cc1 11907779 KUWUIZHMVMKUMT-UHFFFAOYSA-N 326.197 4.650 0 40 EJAB Cc1cc2cc3c(nc2cc1C)O[C@@H](C)CN(Cc1ccccc1)C3 13561614 SIUNGOPICXEUEW-KRWDZBQOSA-N 332.447 4.635 0 40 EJAB Cc1ccc(C)c(N2CN(CCC3=CCCCC3)CN=C2S)c1 13636080 HHMQCIUDGARMHE-UHFFFAOYSA-N 329.513 4.517 0 40 EJAB FC(F)(F)c1cccc(NC(=S)NCCCc2ccccc2)c1 13817401 CJXVXDCVFIEMJV-UHFFFAOYSA-N 338.398 4.625 0 40 EJAB Cc1cc(=O)oc2cc(NC(=O)c3cccc(Cl)c3Cl)ccc12 15951394 VCQHSLDIXKBEPF-UHFFFAOYSA-N 348.185 4.661 0 40 EJAB COc1ccc([C@H]2CC(=O)c3c(-c4ccccc4)c[nH]c3C2)cc1OC 18197856 DAEMEIRIVJIXLG-MRXNPFEDSA-N 347.414 4.612 0 40 EJAB Cc1csc([C@H](Cc2ccsc2)NCc2cccc(F)c2)n1 19240241 BNIOPQOWTQCBGG-INIZCTEOSA-N 332.469 4.726 0 40 EJAB C=Cn1ncc(CN(CCc2ccccc2)Cc2cccs2)c1C 19554302 PUIGCUVWIQBRJB-UHFFFAOYSA-N 337.492 4.598 0 40 EJAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc2ccccc2c1 20450775 ODJCRYIUCLZJDX-HXUWFJFHSA-N 335.403 4.645 0 40 EJAB O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc(F)c(F)c1 22563727 BFZCIWLNBHYDLC-UHFFFAOYSA-N 349.340 4.760 0 40 EJAB C[C@@H](NCc1nnc(-c2ccccc2Cl)o1)c1ccc(Cl)cc1 26861024 UPNRIPFRYLWVIR-LLVKDONJSA-N 348.233 4.894 0 40 EJAB O=C(N(Cc1ccc2[nH]ccc2c1)C1CC1)C12CC3CC(CC(C3)C1)C2 32074769 ASUTUZRGOROYCX-UHFFFAOYSA-N 348.490 4.875 0 40 EJAB COc1cccc(CN(C)C(=O)c2sccc2-c2ccccc2)c1 32999570 BKBICEJCWBKCTR-UHFFFAOYSA-N 337.444 4.696 0 40 EJAB Cc1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)c2cccnc12 41156794 CZLOCPGBKFRLJP-UHFFFAOYSA-N 348.446 4.858 0 40 EJAB C[C@@H](NC(=O)Nc1ccccc1-n1cccn1)c1cc2ccccc2o1 48345691 PZLAJHVWJSXWCS-CQSZACIVSA-N 346.390 4.501 0 40 EJAB C[C@H]1CCCN(C(=O)CCc2ncc(-c3ccccc3Cl)o2)CC1 58424870 ULQFRRIPZVNFCT-AWEZNQCLSA-N 346.858 4.576 0 40 EJAB O=C(c1ccc(Cl)o1)N1CCC[C@@H]1Cc1cccc2ccccc12 71845493 UJLAAZWAAHKWDJ-MRXNPFEDSA-N 339.822 4.934 0 40 EJAB Cc1cccc(-c2cccc([C@H]3CCCN(C(=O)C4CCCC4)C3)n2)c1 72349617 VYRPKKBRTODLFO-FQEVSTJZSA-N 348.490 4.953 0 40 EJAB COc1ccc2c(c1Oc1ccccc1)[C@@]13CC=CC=C1[C@@H](C2)NCC3 96316414 YGXWFNJFMMVROW-AUSIDOKSSA-N 345.442 4.530 0 40 EJAB biogenic,in-vitro Cc1ccc(C)c([C@H](C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2)c1 113943674 NGYQGEOCXLWRFA-GJZGRUSLSA-N 331.843 4.602 0 40 EJAB O=C(Nc1c(F)cccc1F)N1CCS[C@@H](c2ccccc2)CC1 211144192 HNANJPAOGYDCIJ-MRXNPFEDSA-N 348.418 4.677 0 40 EJAB CCOC(=O)/C=C/c1ccc(OCc2cccc3ccccc23)cc1 216887981 RELXUFWZQTUKTL-NTCAYCPXSA-N 332.399 4.995 0 40 EJAB C[C@H](Oc1ccccc1Cl)C(=O)NCc1ccc2ccccc2c1 222788925 QBNJKTCYGIZASB-AWEZNQCLSA-N 339.822 4.577 0 40 EJAB O=C(CCc1ccc(F)cc1)NCCCc1cccc2ccccc12 222955338 WUGILKBGLHPLAP-UHFFFAOYSA-N 335.422 4.661 0 40 EJAB Cc1cc(C)c([C@H](C)NC(=O)CCCOc2ccccc2)cc1C 223442752 LYHAQIAPGVFDTA-SFHVURJKSA-N 325.452 4.648 0 40 EJAB Cc1cc(C)c([C@@H](C)NC(=O)CSCc2ccc(F)cc2)cc1C 223461188 LKQMPLODUWEEAG-MRXNPFEDSA-N 345.483 4.862 0 40 EJAB CC[C@@H](NC(=O)Nc1ccc(Cl)cc1)c1ccc(OC)c(C)c1 224659513 GHOLNXZQGZTHKC-MRXNPFEDSA-N 332.831 4.930 0 40 EJAB CCOC1(C(=O)Nc2cc(C)c(OC(C)C)c(C)c2)CCCCC1 225710246 CPQDJESJVAOGMB-UHFFFAOYSA-N 333.472 4.769 0 40 EJAB O=C(O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccc(F)cc1)N2 245257671 CDKMKGVNQGCEMV-MELFWRNSSA-N 337.394 4.820 0 40 EJAB O=C(COCc1ccccc1)c1ccc(Cl)cc1C(F)(F)F 382717148 LFQLUSUPISMFNR-UHFFFAOYSA-N 328.717 4.758 0 40 EJAB CCC(CC)C(=O)N1CCC[C@@]12CN(c1cccc(F)c1)C(C)(C)C2 1615122196 PTFBUXJYGGROGK-OAQYLSRUSA-N 346.490 4.612 0 40 EJAB O=C(Cc1cc(Cl)cc(Cl)c1)Nc1ccccc1-c1cn[nH]c1 1623749288 ZZRDWFVSBBVROH-UHFFFAOYSA-N 346.217 4.565 0 40 EJAB CSc1ccccc1C(=O)NCc1cc(-c2ccoc2)cs1 1775969859 OVJWKAJANVCWMP-UHFFFAOYSA-N 329.446 4.660 0 40 EJAB O=C(CCc1ccccc1)NCCc1ccc(-c2cccs2)s1 1889279057 SERXLOLMSZXKEE-UHFFFAOYSA-N 341.501 4.768 0 40 EJAB O=C1c2ccccc2N[C@H](c2cccc(F)c2)N1Cc1ccccc1 70051 HVRQQORHBNXQKX-FQEVSTJZSA-N 332.378 4.592 0 40 EJAB Clc1ccc(-c2noc(-c3cc(Cl)cnc3Cl)n2)cc1 166735 SQKNQGCTTXBACL-UHFFFAOYSA-N 326.570 4.759 0 40 EJAB CC[C@@H]1C[C@@](C)(c2csc(Nc3ccccc3Cl)n2)OC1=O 330710 KLCFJWHXZMHIJJ-HWPZZCPQSA-N 336.844 4.728 0 40 EJAB CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OCC)cc12 348584 HNBPBJQLZRWZSR-UHFFFAOYSA-N 337.419 4.823 0 40 EJAB Cc1ccc2nc([C@H](C)NC(=O)c3ccc(Cl)cc3Cl)[nH]c2c1 1385926 GTLKMRJULPEDBB-JTQLQIEISA-N 348.233 4.669 0 40 EJAB O=C(Nc1nc2c(s1)CCCC2)c1ccc(Cl)cc1Cl 1505611 ZAXHGTGDQUUJMG-UHFFFAOYSA-N 327.236 4.581 0 40 EJAB C[C@H]1CCCCN1P(N1CCCC[C@H]1C)N1CCCC[C@H]1C 1737541 NVXFGRFIRYCPGA-KURKYZTESA-N 325.481 4.837 0 40 EJAB CCCC[C@@]1(Cl)C(=O)c2cccc3c4ccccc4n(c23)C1=O 2570505 FZTYISGBZVKSQQ-LJQANCHMSA-N 325.795 4.799 0 40 EJAB CN(C)c1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 2648691 NZNLLGXHBYEBBY-UHFFFAOYSA-N 332.403 4.797 0 40 EJAB Clc1ccc(CSc2nnc3sc4ccccc4n23)cc1 2679402 LKFLRYCHHAGFRK-UHFFFAOYSA-N 331.853 4.890 0 40 EJAB O=C(Nc1ccccc1F)c1ccc(CSc2ccccc2)o1 2708419 WDAABQTUGUWDEI-UHFFFAOYSA-N 327.380 4.963 0 40 EJAB COc1ccc2c(CC(=O)Nc3cccc(Cl)c3C)coc2c1 3554120 OZKHMSWFKRFVGD-UHFFFAOYSA-N 329.783 4.584 0 40 EJAB CCOC(=O)c1sc(S[C@H](C)CC)c2c1CC(C)(C)CC2=O 4286216 AMPIBRMRXUZXOA-SNVBAGLBSA-N 340.510 4.971 0 40 EJAB CCOC(=O)c1ccc(Nc2nc(C)nc3c2oc2ccccc23)cc1 5191359 CUYDINGTGOLRNZ-UHFFFAOYSA-N 347.374 4.605 0 40 EJAB O=C(O)c1ccccc1[C@@H]1Nc2ccc(Cl)cc2[C@H]2C=CC[C@H]21 6222480 UAVSZHDACVUPQD-VEVIJQCQSA-N 325.795 4.865 0 40 EJAB CC[C@@H](C)c1ccc(C(=O)COc2ccc(-c3nnco3)cc2)cc1 6561135 NKRBOHWYNCGMBG-CQSZACIVSA-N 336.391 4.512 0 40 EJAB Clc1cc(Cl)cc(-c2ccc(CNCc3ccncc3)o2)c1 7365276 BQQNRPLFAWAULD-UHFFFAOYSA-N 333.218 4.938 0 40 EJAB CN(CC(=O)Nc1ccccc1Cl)Cc1ccc2ccccc2c1 8127365 DTEBLWMSMLPJMA-UHFFFAOYSA-N 338.838 4.564 0 40 EJAB CCCOc1cccc(-c2nnc(Nc3ccc(Cl)cc3)[nH]2)c1 8903563 OFZIZPYCWCPGAH-UHFFFAOYSA-N 328.803 4.658 0 40 EJAB Cc1ccccc1CC(=O)Nc1c(-c2ccccc2)nc2sccn12 12604101 HCNVCZSWJHZYTI-UHFFFAOYSA-N 347.443 4.552 0 40 EJAB O=C(Nc1cccc2ncccc12)c1csc(-c2ccccc2)n1 12927537 CIYMORIQSAXFRM-UHFFFAOYSA-N 331.400 4.611 0 40 EJAB CCCCCCNC(=O)c1cc(-c2ccccn2)nc2ccccc12 16740426 UTICUQMQERPYBB-UHFFFAOYSA-N 333.435 4.607 0 40 EJAB C[C@@H](CCn1ccc2ccncc21)NCc1ccc(C(F)(F)F)cc1 19455851 ADDYSFSFDBJWGM-AWEZNQCLSA-N 347.384 4.624 0 40 EJAB Cc1ccc(-n2cnnc2S[C@H](C)c2ccc(F)cc2)c(C)c1 24647182 SPRAWKIXIRNDNH-CQSZACIVSA-N 327.428 4.877 0 40 EJAB Cc1ccc(-c2cc(C(=O)Nc3ccccc3Cl)no2)cc1C 27583473 HFCTVNMELHDVSD-UHFFFAOYSA-N 326.783 4.864 0 40 EJAB O=C1CCCN1CCc1nc(-c2ccccc2)c(-c2ccccc2)s1 30447691 VTQSXWRXBRVHBK-UHFFFAOYSA-N 348.471 4.642 0 40 EJAB Cc1cc(C)cc(CSCC(=O)N[C@@H]2CCCc3ccccc32)c1 30751451 VIEWBNNNWLPJBV-HXUWFJFHSA-N 339.504 4.730 0 40 EJAB Cc1sc(-c2ccco2)nc1C(=O)Nc1ccc(C)c2ncccc12 32776569 ZDSPBDASYWQIEM-UHFFFAOYSA-N 349.415 4.820 0 40 EJAB Cc1ccccc1CN1CC[C@H](c2nc3cc(Cl)ccc3o2)C1 35446463 SDVNRIFTLSJSDA-HNNXBMFYSA-N 326.827 4.779 0 40 EJAB biogenic,in-vitro CCc1nc2ccccc2n1CC(=O)Nc1ccc(Cl)c(Cl)c1 36783885 VKFMHYACRQVQPQ-UHFFFAOYSA-N 348.233 4.544 0 40 EJAB O=C(Nc1cc(Cl)ccc1Cl)c1cc(-c2ccccc2)on1 57648208 DIOINDGVESNQJY-UHFFFAOYSA-N 333.174 4.901 0 40 EJAB COC(=O)c1ccc2c(c1)CCCN2Cc1c(C)ccc2ccccc12 89665983 JIICUBCAAIAYBV-UHFFFAOYSA-N 345.442 4.888 0 40 EJAB CC(C)(C)c1ccccc1OCC(=O)NCc1ccc2ccccc2c1 222814983 BPRYIARNMDDKTP-UHFFFAOYSA-N 347.458 4.833 0 40 EJAB C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1ccc2c(c1)CCC2 223148098 SVDHTAJPYJVCQY-LLVKDONJSA-N 334.246 4.973 0 40 EJAB C[C@]12CC[C@@H]3[C@H](CC[C@@H]4CCCC[C@]43C)[C@H]1Cc1sc(N)nc12 239338750 LDZFZRSSOBEODZ-LBWJTHHXSA-N 330.541 5.172 0 40 EJAB O=C(O)c1ccc([C@@H]2Nc3c(F)cccc3[C@H]3[C@H]4CC[C@@H](C4)[C@@H]32)cc1 247384156 JWMWZZNXNPHCDS-IRIMSJTPSA-N 337.394 4.820 0 40 EJAB C[C@@H](C(=O)N1CCCc2occc2C1)c1ccc(Cl)c(Cl)c1 571085354 NXFMDZSVVLYJFV-LLVKDONJSA-N 338.234 4.665 0 40 EJAB FC(F)(F)c1csc(CNC2(c3ccccc3Cl)CC2)n1 645977685 IMJQBRHRDPXOIP-UHFFFAOYSA-N 332.778 4.594 0 40 EJAB CSc1nc(SC(C)C)c2c3c(sc2n1)COC(C)(C)C3 553667 IUEIZPOBDNJDLK-UHFFFAOYSA-N 340.539 4.765 0 40 EJAB CCCCc1ccc(NC(=O)/C=C/c2ccc(OC)cc2OC)cc1 1914312 HUUOHLWBZUDCBR-GXDHUFHOSA-N 339.435 4.698 0 40 EJAB O=C(/C=C/c1ccc(OC(F)F)cc1)Nc1ccc(Cl)cc1F 3360236 CKSXRHWOKRJQMG-FPYGCLRLSA-N 341.716 4.732 0 40 EJAB CC(C)(C)c1ccc(C(=O)CSc2nnc(-c3ccco3)o2)cc1 4740811 CXKLSBJFPXWJPZ-UHFFFAOYSA-N 342.420 4.602 0 40 EJAB C[C@@H](Sc1ccc2ccccc2c1)C(=O)N(C)Cc1ccccc1 4886538 IJWMPZNFORMVRA-MRXNPFEDSA-N 335.472 4.979 0 40 EJAB O=C(N[C@H]1CCCC[C@@H]1Cc1ccco1)C12CC3CC(CC(C3)C1)C2 5945235 YZNHXAKNDQHQQV-YFBMGZMASA-N 341.495 4.714 0 40 EJAB CCCCN(CCCC)C(=O)CCC(=O)N(CCCC)CCCC 6042590 SMZNIZWMUHWNBT-UHFFFAOYSA-N 340.552 4.624 0 40 EJAB COc1ccc2oc(-c3ccc(C)c(NC(=O)C(C)(C)C)c3)nc2c1 6206015 RJDWYIFLPQKOEB-UHFFFAOYSA-N 338.407 4.796 0 40 EJAB O=C(CCc1ccccc1)Nc1ccc(Br)cc1Cl 6260093 RIAGBHTYTPJBQG-UHFFFAOYSA-N 338.632 4.674 0 40 EJAB COc1cc(CNCC(C)C)cc(Cl)c1OCc1ccccc1 6883542 LTSZJKIRYYOKDP-UHFFFAOYSA-N 333.859 4.673 0 40 EJAB C[C@H]1CCC[C@@H](C)N1C[C@@H](O)COc1ccc(C2CCCCC2)cc1 11847308 CHJINILHYQKWHZ-LVCYWYKZSA-N 345.527 4.737 0 40 EJAB Cc1cccc(NC(=S)NNc2ccnc3cc(Cl)ccc23)c1 12609775 QGMPBLQUDUWQSU-UHFFFAOYSA-N 342.855 4.510 0 40 EJAB COc1ccc(-c2nc(-c3cc(F)ccc3OC)cs2)cc1OC 12804954 OYHFUGRAEKGUTR-UHFFFAOYSA-N 345.395 4.642 0 40 EJAB Cc1ccc(C)c(NC(=O)c2cc(-c3ccco3)nc3onc(C)c23)c1 12930144 ACTBCPFALIRPEJ-UHFFFAOYSA-N 347.374 4.660 0 40 EJAB C[C@@H](NC(=O)COc1ccc(Cl)cc1)c1ccc(C(C)(C)C)cc1 13670946 LROGFUUABZAPEI-CQSZACIVSA-N 345.870 4.894 0 40 EJAB CC(C)(C)CC(C)(C)c1ccc(OC[C@H](O)CNC2CCCC2)cc1 17112792 RCHPIPCVAVNFRE-LJQANCHMSA-N 347.543 4.672 0 40 EJAB Cc1csc([C@H]2Cc3ccsc3[C@@H](c3ccc(F)cc3)N2)n1 19240272 YPWBWUHMHPQXNS-HUUCEWRRSA-N 330.453 4.629 0 40 EJAB C[C@H]1CCCN(Cc2ccc(C(=O)Nc3cccc(Cl)c3)cc2)C1 20110774 GBRHKKAGLPJOOB-HNNXBMFYSA-N 342.870 4.824 0 40 EJAB Cc1ccc(S[C@@H](C)C(=O)N[C@H](C)c2ccc(C)cc2C)cc1 20487809 ZWELLMYPMJGNAK-SJORKVTESA-N 327.493 4.970 0 40 EJAB Cc1ccc(-n2nc(C)c3c2C[C@@H](c2ccccc2C)CC3=O)cc1 20633032 OBKUONOHJNPQHO-QGZVFWFLSA-N 330.431 4.710 0 40 EJAB C[C@@H](NC(=O)c1cccnc1Sc1ccccc1)c1cccs1 22504798 BVVKWAPSLFICIH-CYBMUJFWSA-N 340.473 4.785 0 40 EJAB c1csc(CN(Cc2nc3ccccc3s2)C[C@H]2CCCO2)c1 32759748 GHDFSZQMXCAKJZ-CQSZACIVSA-N 344.505 4.539 0 40 EJAB CCN(C(=O)c1ccc(OC)cc1)c1nc2cc(Cl)ccc2s1 32970842 KXXGLTOUYITTLE-UHFFFAOYSA-N 346.839 4.625 0 40 EJAB C[C@H](c1cc2ccccc2o1)N(C)C(=O)CCc1cccc(F)c1 37164702 VJEQWTFUFCYHPI-CQSZACIVSA-N 325.383 4.724 0 40 EJAB CCOC(=O)c1sc2ccc(C(F)(F)F)cc2c1-n1cccc1 44676333 CZBMKRLZQVXKQG-UHFFFAOYSA-N 339.338 4.888 0 40 EJAB CCCn1c(SCc2ccccc2Cl)nnc1-c1ccncc1 57476236 AVHXYOGYMGYIQW-UHFFFAOYSA-N 344.871 4.696 0 40 EJAB CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccccc2OC(F)(F)F)C1(C)C 58166915 HNEGKRNQEYRTHI-RISCZKNCSA-N 327.346 4.762 0 40 EJAB O=[S@@](Cc1cccc(Cl)c1)Cc1coc(-c2cccs2)n1 69808195 ZEUPJBJIMLXNBN-OAQYLSRUSA-N 337.853 4.505 0 40 EJAB CCc1ccc([C@@H](C)NC(=O)[C@@H](CC)Oc2cccc(Cl)c2)cc1 78458311 ZMRKQHBTUXATDF-AUUYWEPGSA-N 345.870 4.937 0 40 EJAB Cc1oc(-c2ccccc2)nc1C[S@@](=O)c1cccc(Cl)c1 95953344 SSJDUDVONKSOSN-QFIPXVFZSA-N 331.824 4.611 0 40 EJAB C[C@H](Sc1ncc[nH]1)c1nnc(-c2ccc(Cl)cc2Cl)o1 96465973 JDZFOHWHHRUGKB-ZETCQYMHSA-N 341.223 4.620 0 40 EJAB Cc1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)s1 106685996 JMJMPHJTTKPDRH-ZSOIEALJSA-N 349.864 4.946 0 40 EJAB Cc1cc(C(=O)O[C@@H](C)c2ccc3c4c(cccc24)CC3)ccc1N 216851032 CWKHEXWZVMRZEK-AWEZNQCLSA-N 331.415 4.747 0 40 EJAB Cc1ccc(N(C)S(=O)(=O)c2ccc3ccccc3c2)cc1Cl 225055512 CSRKGIGRWYAYFX-UHFFFAOYSA-N 345.851 4.627 0 40 EJAB CC[C@@H](C)Oc1c(C)cc(NC(=O)[C@@](C)(CC(C)C)OC)cc1C 225608893 ALQGCGZWIYMIGH-OXQOHEQNSA-N 335.488 4.870 0 40 EJAB CO[C@@]1(C(=O)Nc2cc(C)c(OC(C)C)c(C)c2)CCC[C@@H](C)C1 225638166 CKFLDMMGWYTOPS-VLIAUNLRSA-N 333.472 4.624 0 40 EJAB COc1cc(C)c(C(=O)N[C@@H](C)CCc2ccccc2)cc1C(C)C 225664774 GUFWHMYXBUDYBK-KRWDZBQOSA-N 339.479 4.878 0 40 EJAB CCCOc1ccc(NC(=O)[C@](C)(CC(C)C)OCCC)cc1C 225735764 MBCYXEYOLLPHPR-FQEVSTJZSA-N 335.488 4.954 0 40 EJAB Cc1ccccc1NCC(=O)Nc1cc(C(F)(F)F)ccc1Cl 244008940 SJQHKQRKJCHOTN-UHFFFAOYSA-N 342.748 4.718 0 40 EJAB O=C(O)COc1ccccc1CNc1ccc(Oc2ccccc2)cc1 409112752 CQVXYKIAMHSTEU-UHFFFAOYSA-N 349.386 4.554 0 40 EJAB O=C(CCCCCn1cccc1)N[C@@H]1CCCc2c1[nH]c1ccccc21 604419384 GTXMQYAOQHJOIQ-HXUWFJFHSA-N 349.478 4.724 0 40 EJAB CC[C@@H](c1ccccc1)N(C(=O)c1coc(-c2cccnc2)n1)C(C)C 622976366 FFKYHIUEUVSECJ-IBGZPJMESA-N 349.434 4.739 0 40 EJAB O=C(O)c1ccccc1-c1ccc(CN2CCCc3ccccc32)o1 825006374 KTBXVAHIHQIHNE-UHFFFAOYSA-N 333.387 4.598 0 40 EJAB CC[C@@H](NC[C@H](O)c1ccc(F)cc1Cl)c1ccc(Cl)cc1 1645085438 CUFUPJXREDDXBF-SJORKVTESA-N 342.241 4.907 0 40 EJAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1ccc(Cl)cc1 247376 GOJXLIQGIWKZPS-UHFFFAOYSA-N 346.217 4.740 0 40 EJAB CCOC(=O)c1c(C)oc2c1c(Br)c(O)c1ccccc12 564656 ZGEKAEAMGOPPNL-UHFFFAOYSA-N 349.180 4.539 0 40 EJAB COc1ccccc1-c1cc(=O)oc(-c2ccc(Cl)cc2Cl)n1 1297222 LOCCZUSJIXFLPU-UHFFFAOYSA-N 348.185 4.684 0 40 EJAB Nc1c(-c2cccc(Cl)c2)cnn1-c1cccc(C(F)(F)F)c1 3133764 SSEDHWCSGXSQLK-UHFFFAOYSA-N 337.732 4.794 0 40 EJAB O=C(c1ccc(Oc2ccccc2)cc1)N1CCc2ccccc2C1 3313088 YZFYOCNTGYDAPG-UHFFFAOYSA-N 329.399 4.677 0 40 EJAB CC(=O)[C@H](c1ccccc1)[C@@H](CC(=O)OC(C)(C)C)c1ccccc1 5379103 LLZKELCVXJGQDL-PZJWPPBQSA-N 338.447 4.875 0 40 EJAB CCCCOc1ccc(C(=O)Nc2cccc(Br)c2)cc1 5861958 MEJBLWQIMPKGOZ-UHFFFAOYSA-N 348.240 4.880 0 40 EJAB CCOC(=O)c1ccccc1NC(=O)c1ccccc1SC(C)C 8480913 VVUOGQKLMCDPMA-UHFFFAOYSA-N 343.448 4.616 0 40 EJAB CCc1ccc(Cc2cnc(NC(=O)c3cc(C)oc3C)s2)cc1 9910704 WZHAZKQSLOSUCK-UHFFFAOYSA-N 340.448 4.758 0 40 EJAB Cc1cc(O[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)cc(C)c1Cl 10449972 HDDZDMPPKDQQRP-CABCVRRESA-N 343.854 4.702 0 40 EJAB O=C(c1sc2ccccc2c1Cl)N1CCc2sccc2C1 10923963 RWFQZETYGFHSBA-UHFFFAOYSA-N 333.865 4.815 0 40 EJAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc(F)cc1 16446337 VYHJVJPWQOHPBY-VXGBXAGGSA-N 337.847 4.837 0 40 EJAB O=C(Nc1cccc(Cl)c1)c1cccnc1Nc1ccc(F)cc1 22072766 MDHNLOUXMZOYEI-UHFFFAOYSA-N 341.773 4.870 0 40 EJAB O=C(c1ccc(Cl)cc1)N1CCC[C@@H](c2nc3ccccc3o2)C1 24695156 FQILKIPCERSDDJ-CQSZACIVSA-N 340.810 4.501 0 40 EJAB O=C(c1cccc(Cl)c1)N1CCC[C@H](c2nc3ccccc3o2)C1 27386412 RKQWXDMEEFEXIA-AWEZNQCLSA-N 340.810 4.501 0 40 EJAB CCCCCOc1ccc(C(=O)Nc2onc3c2C[C@@H](C)CC3)cc1 27794543 FOAWSMINMCTBSR-AWEZNQCLSA-N 342.439 4.621 0 40 EJAB CN(C)C(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12 27976586 IXTRCPQBJVBCKZ-UHFFFAOYSA-N 345.229 4.910 0 40 EJAB Cc1cc(Cl)ccc1O[C@@H](C)Nc1ccc(Cl)c(C(=O)O)c1 35655145 DSRUKUHRZKXSPF-JTQLQIEISA-N 340.206 4.837 0 40 EJAB CCSc1ccccc1NC(=O)[C@@H](C)Oc1ccccc1CC 44841236 GQAMNMUKXAJRPI-CQSZACIVSA-N 329.465 4.767 0 40 EJAB Cc1ccsc1[C@H]1SCC(O)=Nc2c1cnn2-c1ccccc1 44919927 YSACLSZFLZCJKI-INIZCTEOSA-N 341.461 4.666 0 40 EJAB Cc1c(F)cccc1NC(=O)Nc1cccc(OC(F)(F)F)c1 51354546 CWIWHKXORYYSOW-UHFFFAOYSA-N 328.265 4.677 0 40 EJAB COc1ccc(Cc2nnc(S[C@H](C)c3cccc(F)c3)o2)cc1 57467566 GJPQIJYWOAMYAE-GFCCVEGCSA-N 344.411 4.661 0 40 EJAB CC[C@H](NC(=O)[C@@H](C)c1c(C)noc1C)C12CC3CC(CC(C3)C1)C2 58419525 SOMGHNAOCKBOGS-RXUWJGMMSA-N 344.499 4.506 0 40 EJAB Nc1cc(Oc2cc(N)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1 60139772 MJNXYRHZDBJIHR-UHFFFAOYSA-N 336.235 4.681 0 40 EJAB COCCCCN(Cc1ccccc1)C(=O)Nc1c(C)cccc1C 62247330 IGJNEEOFZZQQQB-UHFFFAOYSA-N 340.467 4.764 0 40 EJAB C[C@H](NCc1c[nH]c(-c2ccccc2)n1)c1ccc2c(c1)CCCC2 75093152 LDVDTIYGAJOHTI-INIZCTEOSA-N 331.463 4.806 0 40 EJAB CS[C@@H](C)c1cccc(NC(=O)c2ccccc2-c2cncnc2)c1 78112956 KBZAFARWPVMKIP-AWEZNQCLSA-N 349.459 4.820 0 40 EJAB O=C(/C=C/c1cccc2cccnc12)NCc1cccc2ccccc12 84598447 DTUNDDKFMAEEPT-BUHFOSPRSA-N 338.410 4.718 0 40 EJAB CC[C@H](N[C@@H](C)c1cnccn1)c1ccc(OC2CCCC2)cc1 95967879 JZVARWKCSFVUCT-KXBFYZLASA-N 325.456 4.600 0 40 EJAB Cc1sc2ccccc2c1CN1CCN(Cc2ccccc2)CC1 96305882 NUELMXAUZJZVEL-UHFFFAOYSA-N 336.504 4.528 0 40 EJAB CC(=O)c1ccc(N(C(=O)OC(C)(C)C)c2cc(C)ccn2)cc1 199715563 VFQSYPPUXWHBNZ-UHFFFAOYSA-N 326.396 4.666 0 40 EJAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(F)c(Cl)c1 222983237 DSTHKAKXDHJHMH-KRWDZBQOSA-N 335.806 4.892 0 40 EJAB CSc1cccc(NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)c1 225060169 WJEYWARYFZSKMS-CQSZACIVSA-N 341.476 4.693 0 40 EJAB O=C(/C=C/c1cccs1)N[C@@H](c1ccsc1)c1cccs1 390827084 TVAXWZUQWPBSHT-JFDDCEBESA-N 331.487 4.790 0 40 EJAB CC[C@H](C)N1C(=O)S/C(=C/c2ccc(-c3ccccc3)o2)C1=O 409012718 RMQPPUUMXOVTGE-JASJWYONSA-N 327.405 4.781 0 40 EJAB Cc1cc(CN2CCCCC[C@H]2/C=C/c2ccccc2)oc1C(=O)O 571172294 SYXGTTYMIKGWPP-DXRVJIQQSA-N 339.435 4.744 0 40 EJAB O=C(c1ccccc1OCc1ccccc1)[C@@H]1O[C@H]1c1ccccc1 162353 ZZINOVZILZHGHN-VXKWHMMOSA-N 330.383 4.588 0 40 EJAB CCC[C@H]1C[C@](C)(c2csc(Nc3ccccc3C)n2)OC1=O 289422 PGNDOLKJNWJKDP-SCLBCKFNSA-N 330.453 4.774 0 40 EJAB CC(C)C[C@@H](NC(=O)c1ccccc1Cl)c1nc2ccccc2[nH]1 1385908 GBGWTUUNQUIJRG-QGZVFWFLSA-N 341.842 4.734 0 40 EJAB O=C(c1cc(F)cc(Cl)c1)c1cccc(CN2CCCCC2)c1 2515027 URLDALNFFCKOIW-UHFFFAOYSA-N 331.818 4.696 0 40 EJAB Cc1cc2occ(CC(=O)NCc3ccc(F)cc3)c2cc1C(C)C 3306460 CLWIZADTCPDUED-UHFFFAOYSA-N 339.410 4.863 0 40 EJAB C[C@@H](NC(=O)COc1ccccc1-c1ccccc1)c1ccccc1 3333972 OXZZDHLEOMDCOJ-QGZVFWFLSA-N 331.415 4.610 0 40 EJAB CC(=O)Nc1ccc(-c2csc(N[C@H](C)c3ccccc3)n2)cc1 3440719 PYUSLOCISDOIAI-CYBMUJFWSA-N 337.448 4.942 0 40 EJAB CCc1ccc(Nc2nnc(SCC(=O)C(C)(C)C)s2)cc1 3461449 JOXHAKSIHXFSEY-UHFFFAOYSA-N 335.498 4.551 0 40 EJAB CCCSc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cn1 3470334 ANOPSMUWBHCZKU-UHFFFAOYSA-N 340.370 4.855 0 40 EJAB O=C(N[C@H]1CCSc2ccccc21)c1cccc(C(F)(F)F)c1 5176810 PYONYXGRJGFXON-AWEZNQCLSA-N 337.366 4.672 0 40 EJAB CSc1cccc2sc(NC(=O)CCc3ccccc3)nc12 5299264 UYDVRTFSAJKHHG-UHFFFAOYSA-N 328.462 4.590 0 40 EJAB Clc1ccc2c(c1)c1c(n2Cc2ccccc2)-c2[nH]ncc2CC1 5819231 QYPHWNJXXXTKPK-UHFFFAOYSA-N 333.822 4.832 0 40 EJAB COc1ccc2nc(SCc3cccc(Br)c3)[nH]c2c1 6609348 HXDIPFABKOJCOG-UHFFFAOYSA-N 349.253 4.626 0 40 EJAB CN1CCC[C@H](O[C@@H]2c3ccccc3CSc3ccccc32)CC1 6638626 KJDWUCZKWFAWFB-LAUBAEHRSA-N 339.504 4.883 0 40 EJAB Cn1c(-c2cn(-c3ccccc3)nc2-c2ccco2)nc2ccccc21 6649765 OYDQDQXZIJDPPU-UHFFFAOYSA-N 340.386 4.686 0 40 EJAB CN(CC(=O)Nc1ccc(F)cc1Cl)c1ccc2ccccc2c1 6831022 BPXZOJDTVZCDCL-UHFFFAOYSA-N 342.801 4.707 0 40 EJAB CN(Cc1ccc2ccccc2c1)C(=O)CCC(=O)c1ccc(F)cc1 7989294 ZDBQJHHVLNHOFL-UHFFFAOYSA-N 349.405 4.600 0 40 EJAB O=C(O)c1cc(-c2cccs2)n(-c2cc(Cl)cc(Cl)c2)n1 12505508 OCMYLDIORBKQFT-UHFFFAOYSA-N 339.203 4.606 0 40 EJAB Cc1cc(C[C@@H]2CCC[C@H]2NCc2ccc(Cl)c(Cl)c2)on1 19120540 VBMOVJUSAAYPEK-SUMWQHHRSA-N 339.266 4.791 0 40 EJAB CCCc1nc2ccc(NC(=O)c3ccc(OC)c(C)c3)cc2s1 22254878 CHOJQWAYYGGJMS-UHFFFAOYSA-N 340.448 4.818 0 40 EJAB O=C(NCC1CCCC1)c1ccccc1-c1ncc(-c2ccccc2)o1 33054664 QMMYKZLBCLCBHE-UHFFFAOYSA-N 346.430 4.929 0 40 EJAB C[C@@H](NC(=O)N(C)[C@H](C)c1ccc(Cl)cc1)c1ccccc1F 40067847 NTSSBBCWNOHSFQ-CHWSQXEVSA-N 334.822 4.943 0 40 EJAB COc1cccc([C@@H]2CC(O)=Nc3c(-c4ccccc4)nsc32)c1 40266813 KSZMBDAXVJRCIC-HNNXBMFYSA-N 336.416 4.942 0 40 EJAB COc1cc(NC(=O)c2ccc(Cl)cc2Cl)c2ncccc2c1 44449279 NUWNIWYRAIFEHI-UHFFFAOYSA-N 347.201 4.803 0 40 EJAB Cc1ccc(C)c([C@H](C)NC(=O)[C@H](C)Oc2ccccc2Cl)c1 59351481 YUGVQAGPFAIUBO-GJZGRUSLSA-N 331.843 4.602 0 40 EJAB Cc1c(Cl)cccc1NCc1ccc(O)c(Br)c1 62700945 HHTKFURZQMCKHV-UHFFFAOYSA-N 326.621 4.729 0 40 EJAB O=C(CCn1ccc2ccc(Cl)cc21)Nc1ccc2cc[nH]c2c1 70666359 RJOHCFXYWRVDPF-UHFFFAOYSA-N 337.810 4.805 0 40 EJAB biogenic c1ccc(CN2CCC[C@H]2c2ccc(N3CCCCCC3)nc2)cc1 72216632 QVJYCXWAFZLMSU-NRFANRHFSA-N 335.495 4.799 0 40 EJAB O=C1N=C(Nc2cccc(C(F)(F)F)c2)/C(=C/c2ccncc2)S1 72400753 XJMGTIDSYTXMFI-JYRVWZFOSA-N 349.337 4.819 0 40 EJAB Fc1ccc(CN(CCc2ccccn2)C/C(Cl)=C/Cl)cc1 78971185 YKSYGNNDYKALCW-PTNGSMBKSA-N 339.241 4.584 0 40 EJAB COc1ccccc1-c1cnc(CNc2cccc([C@H](C)OC)c2)o1 80757476 VHTSKTKHWIUAML-AWEZNQCLSA-N 338.407 4.670 0 40 EJAB Cc1cc2c(cc1C(F)(F)F)N(C(=O)OC(C)(C)C)CCCC2=O 91302076 KBBDHKWIVAXDJJ-UHFFFAOYSA-N 343.345 4.732 0 40 EJAB CO[C@@H]1CC2(CCN(Cc3ccc(C)s3)CC2)c2ccc(C)cc21 96100192 RIAHFEKWJANWTK-HXUWFJFHSA-N 341.520 4.990 0 40 EJAB Cc1ccc2oc(CCCC(=O)NC(C)(C)CC(C)(C)C)nc2c1 224949261 DQWPLWCACKZLHS-UHFFFAOYSA-N 330.472 4.790 0 40 EJAB COc1c(C)cc(NC(=O)C(CC(C)C)(CC(C)C)OC)cc1C 225616421 RORTTZRPEXHHEY-UHFFFAOYSA-N 335.488 4.728 0 40 EJAB O=C1c2ccccc2CN1c1cccc(-c2nc3ccccc3o2)c1 226287282 ZWPYPMVIMDLBJS-UHFFFAOYSA-N 326.355 4.655 0 40 EJAB O=C(Nc1ccc(Cl)c(-c2ccc(C(=O)O)o2)c1)c1ccccc1 226355947 OAGUTAMDHFPIKS-UHFFFAOYSA-N 341.750 4.551 0 40 EJAB CCOP(=O)(OCC)O[C@H](c1ccc(Cl)cc1)C(F)F 306145737 OWIYLNYKYKJTEX-LLVKDONJSA-N 328.679 4.844 0 40 EJAB Cc1ccc(/C=C2\S[C](Nc3ccc(Cl)cc3C)NC2=O)cc1 408812874 MNGCLKOLOBVQRG-UHFFFAOYSA-N 343.859 4.720 0 40 EJAB Oc1nc(-c2ccc(F)cc2)nc2sc3c(c12)CCCCCC3 408991947 RRXCOOZCWVECCZ-UHFFFAOYSA-N 328.412 4.862 0 40 EJAB CCCOc1ccc(C)cc1-c1ccc(C(=O)O)c(CC(C)C)n1 585265607 UWFSWEYUHYEZOA-UHFFFAOYSA-N 327.424 4.743 0 40 EJAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccccc1F 146593 OWRVEBKYFQHVPQ-UHFFFAOYSA-N 330.746 4.695 0 40 EJAB C[C@@H](CN1CCCC1)OC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 210668 YVDOBJABOBRJAQ-INIZCTEOSA-N 345.527 4.923 0 40 EJAB CCn1c([C@@H]2CC(=O)N(c3c(C)cc(C)cc3C)C2)nc2ccccc21 252309 HXFDEUCGDHJXHT-QGZVFWFLSA-N 347.462 4.502 0 40 EJAB CCC(C)(C)NC(=O)c1cc2sccc2n1Cc1ccc(F)cc1 1324366 ZPQGKVPOQWSXBK-UHFFFAOYSA-N 344.455 4.809 0 40 EJAB Clc1ccc(-c2nnc3c4ccccc4nc(Cl)n23)c(Cl)c1 3063787 ITNFXKMKDARIJC-UHFFFAOYSA-N 349.608 4.905 0 40 EJAB C[P@@](=O)(Nc1ccc2ccccc2c1)c1nc2c(s1)CCCC2 3176273 DFEFULSXKSEAIM-QFIPXVFZSA-N 342.404 4.820 0 40 EJAB CCN(CC)c1ccc(NC(=O)c2cccc(Br)c2)cc1 4045633 AUINLLQIWSLITA-UHFFFAOYSA-N 347.256 4.548 0 40 EJAB Cc1ccc(C2=Nc3ccc(C)cc3C(c3cccs3)=NN2)cc1 4168542 XUKUTKYFYHGBQR-UHFFFAOYSA-N 331.444 4.799 0 40 EJAB Cc1ccc(Nc2nc(C(=O)N[C@H](C)c3ccccc3)cs2)cc1 4675327 MIIBSYASJFHWOY-CQSZACIVSA-N 337.448 4.686 0 40 EJAB COc1cccc(-c2cn3cc(-c4ccc(Cl)cc4)nc3n2C)c1 4678487 LDJSBZUYQGMWRA-UHFFFAOYSA-N 337.810 4.669 0 40 EJAB Clc1ccc(-c2nnc(COc3cccc4cccnc34)o2)cc1 6128090 CUQAKPCZMGLPSM-UHFFFAOYSA-N 337.766 4.517 0 40 EJAB COc1ccc(OC)c2c(C(=O)O)c([C@H](C)c3ccccc3)ccc12 6443401 OUSUNIIAWDSDOD-CYBMUJFWSA-N 336.387 4.707 0 40 EJAB C[C@@H]1CSC(N(C(=O)[C@@H]2CC=CCC2)c2ccc(Cl)cc2)=N1 6880397 DGZBAAFPOXFBTQ-CHWSQXEVSA-N 334.872 4.521 0 40 EJAB CCc1ccc(-c2nc3cc(NC(=O)C(F)(F)F)ccc3o2)cc1 8071081 MEHINSOKWRCBLC-UHFFFAOYSA-N 334.297 4.558 0 40 EJAB C[C@@H](NC(=O)Cn1c(-c2ccccc2)cc2ccccc21)c1ccco1 8172496 IKIGMCCIIWTKPD-MRXNPFEDSA-N 344.414 4.779 0 40 EJAB CCOc1ccccc1CCCNC(=O)/C=C/c1ccccc1Cl 13646913 ROAUGBDDFXEHPS-BUHFOSPRSA-N 343.854 4.501 0 40 EJAB CCCCNC(=O)c1ccccc1NC(=O)Nc1cccc(Cl)c1 14796053 DROBAXSBADVYBY-UHFFFAOYSA-N 345.830 4.514 0 40 EJAB COc1cc(C(=O)Nc2cccc(C)c2)ccc1OCCC(C)C 15480131 FWBDBEQAECONTH-UHFFFAOYSA-N 327.424 4.681 0 40 EJAB CCCC(=O)Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1 16637040 WTZMUSZYXBZGJD-UHFFFAOYSA-N 341.794 4.852 0 40 EJAB CCN(CC)CCOc1ccccc1/C=C/c1noc2ccccc12 16952080 XCCTZLPFLYIKIJ-BUHFOSPRSA-N 336.435 4.719 0 40 EJAB CC(C)c1ccc(OCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 21311838 LCQXRMDAXWKEJN-UHFFFAOYSA-N 337.341 4.846 0 40 EJAB Cc1cccc(COc2ccc(C(=S)N3CCC(C)CC3)cc2)c1 33749369 NYNFJWUQTAGXLC-UHFFFAOYSA-N 339.504 4.981 0 40 EJAB CC(C)CCC[C@@H](C)NC(=O)Cc1csc(-c2cccs2)n1 36357776 RKCCIRJWTMBIGE-CYBMUJFWSA-N 336.526 4.745 0 40 EJAB Cc1ccc([C@H](C)NC(=O)COc2ccccc2C(C)C)c(C)c1 59351595 GXVVVRAOEQIPLL-KRWDZBQOSA-N 325.452 4.683 0 40 EJAB Cc1ccc(C[S@@](=O)Cc2coc(-c3ccccc3Cl)n2)cc1 64841470 PKAUZGFENQURCG-QHCPKHFHSA-N 345.851 4.752 0 40 EJAB c1ccc(COc2ncccc2[C@H]2CCCN2Cc2ccccc2)cc1 72212068 NTGTUBVPDQVGBS-JOCHJYFZSA-N 344.458 4.998 0 40 EJAB CC(C)N1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1 72215381 FQZCDVMBIHVDSI-QGZVFWFLSA-N 345.487 4.531 0 40 EJAB O=C(CCSc1ccccc1)N1CCC(c2ccsc2)CC1 75157132 CNMFNWRWMVVCHZ-UHFFFAOYSA-N 331.506 4.637 0 40 EJAB C[C@H]1CCCC[C@H]1NC(=O)CCCOc1ccc(Cl)cc1Cl 75241581 PHLXDYYQKXRTQV-SWLSCSKDSA-N 344.282 4.847 0 40 EJAB Cc1ccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)c(F)c1 96170883 PUBIWNPHOXALSY-UHFFFAOYSA-N 328.265 4.677 0 40 EJAB COC(=O)/C=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 216889828 IKVCQNSPEVQUMG-WEVVVXLNSA-N 337.202 4.759 0 40 EJAB Cc1cc(Cl)ccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2 223601161 BFVRTLDKSFZQPN-CQSZACIVSA-N 343.854 4.933 0 40 EJAB CCCC[C@@H](CC)CNC(=O)C1CCN(Cc2ccccc2C)CC1 224526471 MENCWJAVOZUFLZ-LJQANCHMSA-N 344.543 4.540 0 40 EJAB CCc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2cc(C)ccc2C)cc1 225256582 BBZWOGFOLVDWGX-IAGOWNOFSA-N 325.452 4.511 0 40 EJAB Fc1ccc(COc2ccc(C(=S)N3CCCCC3)cc2)cc1 409200143 QOWADOGXSPPMFV-UHFFFAOYSA-N 329.440 4.566 0 40 EJAB C[C@@H](NC(=O)c1c[nH]nc1-c1ccsc1)c1cccc(C2CC2)c1 1569655786 RVDGUPBGZGBNMS-GFCCVEGCSA-N 337.448 4.507 0 40 EJAB CC(=O)c1ccc(C(=O)Nc2nc3ccc4ccccc4c3s2)cc1 176223 GVIJUPOMSUKGTO-UHFFFAOYSA-N 346.411 4.904 0 40 EJAB CCc1ccc(OCc2nnc(SCc3ccc(C)cc3)o2)cc1 421342 OFDMRCDRWAPOKS-UHFFFAOYSA-N 340.448 4.812 0 40 EJAB CCOc1ccc(-c2nnc(-c3ccc(Br)cc3)o2)cc1 422650 MMOJOTOTGIWRPL-UHFFFAOYSA-N 345.196 4.565 0 40 EJAB CCOc1ccc(NC(=O)c2cc(Cl)nc3ccccc23)cc1 551113 YPZOPXUUSFYIKM-UHFFFAOYSA-N 326.783 4.539 0 40 EJAB Brc1ccc2nc(-c3ccc4c(c3)CCCC4)cn2c1 1291516 WKOYIHUPTMURDX-UHFFFAOYSA-N 327.225 4.643 0 40 EJAB CCCOc1ccccc1NC(=O)CCCOc1ccc(C)cc1C 1914172 HTRKYEVZBHFUPB-UHFFFAOYSA-N 341.451 4.890 0 40 EJAB Cc1ccc(C(=O)OCC(=O)c2ccc3c(c2)-c2ccccc2C3)cc1 2633570 SBDDTOZZCDCALH-UHFFFAOYSA-N 342.394 4.606 0 40 EJAB O=C(c1ccc(Cl)c(Cl)c1)N1CC=C(c2ccccc2)CC1 3448761 IMEAMHDEILIHBX-UHFFFAOYSA-N 332.230 4.923 0 40 EJAB COc1ccc(N(Cc2ccccc2)C(=O)c2cccc(OC)c2)cc1 4091427 WJLVPBICBJQFTL-UHFFFAOYSA-N 347.414 4.551 0 40 EJAB Cc1ccc(-n2ncc3c(SCc4cccc(C)c4)ncnc32)cc1 5561103 GLIWZBPULAIMLS-UHFFFAOYSA-N 346.459 4.725 0 40 EJAB O=C(/C=C/c1cccs1)N[C@H](c1ccccc1)c1cccs1 7739475 FEHHGFPWEXDFMP-DOJUMQAQSA-N 325.458 4.729 0 40 EJAB CC1CCC2(CCc3cc4c5c(c(=O)oc4cc3O2)CCCC5)CC1 9341218 TZMPDVFTLNDKJS-UHFFFAOYSA-N 338.447 4.946 0 40 EJAB CSc1ccccc1NC(=O)c1ccc(CN2CCCCC2)cc1 10368192 VZAPMDFYOCYTBN-UHFFFAOYSA-N 340.492 4.647 0 40 EJAB COc1ccc2c(c1)CCCN2C(=O)c1cc(Cl)cc(Cl)c1 10541948 ZZHKBLGDOYIGEB-UHFFFAOYSA-N 336.218 4.595 0 40 EJAB CC[C@H](Oc1ccccc1C)C(=O)Nc1cccc(OC(C)C)c1 10715470 XVJUEVGUMYUKIL-SFHVURJKSA-N 327.424 4.578 0 40 EJAB CC(=O)NCCc1ccc(-c2csc(-c3ccc(C)cc3)n2)s1 14102959 OUVTUGIVNOIWDW-UHFFFAOYSA-N 342.489 4.526 0 40 EJAB Cc1cnc(NC(=O)c2cc(-c3ccco3)nc3ccccc23)s1 14662370 YBHQIBRMKZTQDZ-UHFFFAOYSA-N 335.388 4.512 0 40 EJAB C[C@H](NC(=O)Cc1c[nH]c2ccccc12)c1cccc2ccccc12 15741571 HGBTURFHLAQWNY-HNNXBMFYSA-N 328.415 4.741 0 40 EJAB COc1ccc(C(=O)Nc2c(C)c(Cl)c(O)c(Cl)c2C)cc1 16779961 OVKSTACUHBQWDN-UHFFFAOYSA-N 340.206 4.577 0 40 EJAB Cc1cccc(OCc2nnc(SCc3cccc(Cl)c3)o2)c1 20760057 UTKHWPLRHPKBHI-UHFFFAOYSA-N 346.839 4.903 0 40 EJAB Cc1c(C(=O)Nc2nc(-c3ccc[nH]3)cs2)oc2ccc(F)cc12 29352260 HUALEZQDEUYNKR-UHFFFAOYSA-N 341.367 4.584 0 40 EJAB CC[C@H](Oc1cccc(C)c1C)C(=O)NC12CC3CC(CC(C3)C1)C2 30753782 LNMCOJXOOOSOHK-ONUXSRJRSA-N 341.495 4.546 0 40 EJAB Cc1ccccc1NC(=O)COC(c1ccccc1)c1ccccc1 32892129 SCYVFAZQGDREAW-UHFFFAOYSA-N 331.415 4.740 0 40 EJAB CC(C)Oc1ccc(/C=C(\Cl)c2nc(O)c3ccccc3n2)cc1 40139659 HICPUAFLKHIIMZ-WJDWOHSUSA-N 340.810 4.860 0 40 EJAB O=C(CCCc1c[nH]c2ccccc12)N1CCC[C@H]1c1ccsc1 48248077 DFTUVIKUTZKOAW-IBGZPJMESA-N 338.476 4.916 0 40 EJAB COc1ccc2oc(-c3ccc(Br)c(Cl)c3)nc2c1 57351633 ZZBCCMNWQCVHQB-UHFFFAOYSA-N 338.588 4.919 0 40 EJAB CCCCN1CCC[C@@H]1c1cccnc1N(CC)C(=O)OC(C)(C)C 72214803 UQSBIEQAUXXFJN-QGZVFWFLSA-N 347.503 4.780 0 40 EJAB Fc1cccc(CN[C@@H](CSC(F)(F)F)Cc2ccccc2)c1 95918308 HEHCYPOTHQMNSV-MRXNPFEDSA-N 343.389 4.780 0 40 EJAB C[C@H](Oc1cccc2c1CCCC2)C(=O)N[C@@H]1CCCc2ccccc21 224149508 ROIBGNYGQHPGFA-HRAATJIYSA-N 349.474 4.527 0 40 EJAB CCOc1ccccc1NC(=O)CO[C@@H]1C[C@H](C)CC[C@H]1C(C)C 245236961 AECQSHHHODSJDE-JTDSTZFVSA-N 333.472 4.501 0 40 EJAB Cc1nc2ccc(NC(=S)NCCC3=CCCCC3)cc2s1 408976002 DMODTQRKCYJDSJ-UHFFFAOYSA-N 331.510 4.782 0 40 EJAB O=C(Nc1ccc(Oc2ccccc2Cl)cc1)[C@H]1C[C@H]2CC[C@H]1O2 504715446 JXQQYLJOCANVIV-HLLBOEOZSA-N 343.810 4.638 0 40 EJAB O=C(Cc1ccccc1Cl)NCc1ccc(-c2cccs2)o1 575607999 HDNODXHYYUGTLP-UHFFFAOYSA-N 331.824 4.520 0 40 EJAB O=C(COc1cccc(Cl)c1)Oc1ccc(-c2ccccc2)cc1 117949 NCXGEAXRHFEMHB-UHFFFAOYSA-N 338.790 4.991 0 40 EJAB CCC[C@@H](C)NCCCCCNc1cc(OC)cc2cccnc12 1666857 HEVXURVVVADILY-MRXNPFEDSA-N 329.488 4.604 0 40 EJAB CCCOC(=O)c1cccc(Nc2ncnc3sc(C)c(C)c23)c1 1776860 FGOLRPOJHPMDBE-UHFFFAOYSA-N 341.436 4.619 0 40 EJAB CCCOC(=O)c1ccc(Cl)c(NC(=O)/C=C/c2ccccc2)c1 2069900 GWINTAWGPGTTQZ-DHZHZOJOSA-N 343.810 4.559 0 40 EJAB O=C(c1cccc(CN2CCCCC2)c1)c1ccc(Cl)cc1F 2515028 IMZHBYDGMVKPID-UHFFFAOYSA-N 331.818 4.696 0 40 EJAB O=C(c1cc(Cl)cc(Cl)c1)c1cccc(CN2CCCC2)c1 2515088 KXBJLBBZMNBYGI-UHFFFAOYSA-N 334.246 4.820 0 40 EJAB Cc1ccc([C@@H]2C[C@@H](c3cccc4ccccc34)n3ncnc3N2)cc1 2797221 ASAXKNVZXXCIFJ-SFTDATJTSA-N 340.430 4.886 0 40 EJAB Cc1ccc(C(=O)CSc2ncnc3sc(C)c(C)c23)s1 2886873 AGJJJTFLXYRZNQ-UHFFFAOYSA-N 334.491 4.653 0 40 EJAB CCOc1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 3483052 NDLVGJUXMHLIEZ-UHFFFAOYSA-N 333.815 4.535 0 40 EJAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(F)c(Cl)c1 3565880 ZMGKLDPOSRVDMB-SECBINFHSA-N 328.170 4.539 0 40 EJAB COc1ccccc1-c1ccc(SCc2ccc(F)cc2)nn1 4356129 SLGJGPITJUBOBZ-UHFFFAOYSA-N 326.396 4.584 0 40 EJAB CC1(C)C[C@@](Br)(Cc2ccccc2)C(=O)c2ccccc21 5105013 RQUFVADUAKLTFG-IBGZPJMESA-N 343.264 4.927 0 40 EJAB CCN(CC)c1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1 6152629 LXODZWWKEDTWAD-UHFFFAOYSA-N 335.451 4.585 0 40 EJAB Cc1cccc(C)c1NC(=O)CN(C)Cc1ccc2ccccc2c1 8127354 JEJTZVNFGWHIMJ-UHFFFAOYSA-N 332.447 4.527 0 40 EJAB COc1cccc(C(=O)Nc2ccc(C(F)(F)F)cc2Cl)c1 9141815 XBKOYYBFOMTSFO-UHFFFAOYSA-N 329.705 4.620 0 40 EJAB O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)c1cccc(F)c1 11565746 DITLWGIWYDXJSZ-HXUWFJFHSA-N 334.346 4.607 0 40 EJAB Cc1cc(OCCCn2c(C=O)nc3ccccc32)cc(C)c1Cl 11735046 AOGJBNMGMDKFJT-UHFFFAOYSA-N 342.826 4.588 0 40 EJAB CCn1c(Cc2ccccc2)nnc1SCc1cccc(Cl)c1 14091393 JDDLUNNRSTUVSG-UHFFFAOYSA-N 343.883 4.835 0 40 EJAB O=C(/C=C/c1nc2ccccc2s1)N1CC=C(c2ccccc2)CC1 15949524 ZVQJKTCYUCPIJT-ZHACJKMWSA-N 346.455 4.625 0 40 EJAB COc1cccc2cc(/C=C3\C(=O)Nc4ccc(Cl)cc43)oc12 16045120 AJXSVFCCVDJYHK-ZROIWOOFSA-N 325.751 4.588 0 40 EJAB COc1ccc(S[C@H](C)C(=O)Nc2cccc(Cl)c2C)cc1 18543852 UZASTYZMRNGYFB-GFCCVEGCSA-N 335.856 4.776 0 40 EJAB C[C@@H](Sc1ncnc2ccsc12)C(=O)c1ccc(Cl)cc1 22005090 GHEBECGWWHLLFO-SECBINFHSA-N 334.853 4.708 0 40 EJAB Cc1noc(-c2ccccc2NC(=O)c2ccc(Cl)c(Cl)c2)n1 22458948 XYLDDXULWCYTDX-UHFFFAOYSA-N 348.189 4.604 0 40 EJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(F)cc1 22521696 KZQBPLFHGBTUTE-MRXNPFEDSA-N 337.847 4.666 0 40 EJAB CC[C@@H](NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1C)c1ccc(C)cc1 22530024 DLPMPSQFCSAKGN-UYAOXDASSA-N 339.479 4.955 0 40 EJAB CCOc1ccccc1CNC(=O)c1cc2c(ccc3ccccc32)o1 30754167 QXQAHMNZXPLHJA-UHFFFAOYSA-N 345.398 4.915 0 40 EJAB O=C(Nc1cccc(Cl)c1)c1ccc(OCc2cccnc2)cc1 32034698 PDPRHAJJAMSXTP-UHFFFAOYSA-N 338.794 4.566 0 40 EJAB COc1c2occc2c(OC)c2c(=O)cc(/C=C/c3ccccc3)oc12 39271512 SEVPNCFFDDRBGA-CMDGGOBGSA-N 348.354 4.727 0 40 EJAB CC(C)(C)n1ncc2c1N=C(O)C[C@@H]2c1cccc(Br)c1 49545047 FEVGLDZXDQCOOG-GFCCVEGCSA-N 348.244 4.524 0 40 EJAB Cc1c(F)cccc1NC(=O)Nc1ccc(F)cc1Br 51354543 OTBINJBFTGDTFG-UHFFFAOYSA-N 341.155 4.680 0 40 EJAB CCCN1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 72215323 PSIJHKTZHVLPQS-QGZVFWFLSA-N 345.487 4.532 0 40 EJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(OC)cc1 113951852 PNHMMZCCAWCZCF-FQEVSTJZSA-N 335.403 4.645 0 40 EJAB O=C(Nc1ccccc1-c1cn2ccccc2n1)c1cccc(Cl)c1 206898915 CQYNFSGVXSCQHL-UHFFFAOYSA-N 347.805 4.907 0 40 EJAB CC[C@H](CNC(=S)Nc1c(F)cccc1F)Cc1ccccc1 225631873 ZJVZPKAZQTTWRQ-ZDUSSCGKSA-N 334.435 4.520 0 40 EJAB Cc1cc(C)c(C(=O)NCCCc2cccc(OC(C)C)c2)cc1C 225649198 MNEYSLYOTWWQHU-UHFFFAOYSA-N 339.479 4.762 0 40 EJAB Cc1ccc(C2(NC(=S)Nc3ccc(F)cc3)CCCC2)cc1 225851358 GCOMFOUIRNJHED-UHFFFAOYSA-N 328.456 4.890 0 40 EJAB C[C@@H](Cc1csc2ccccc12)NC(=O)Cc1ccccc1Cl 575621738 SFCIGJIYSIYXJX-ZDUSSCGKSA-N 343.879 4.845 0 40 EJAB FC(F)(F)Oc1ccccc1-c1noc(C2(c3ccccc3)CC2)n1 579416281 CRQNIHFWCOORGS-UHFFFAOYSA-N 346.308 4.715 0 40 EJAB CCCCC(CCCC)(CSc1cc(OC)ccc1N)C(=O)O 1857794780 TYEZUXMOFGKKEZ-UHFFFAOYSA-N 339.501 4.821 0 40 EJAB Cc1cc2c(cc1C)[C@@H](c1ccc(F)c(Br)c1)CC(=O)N2 89726 BCPRYJSLTJDXPG-GFCCVEGCSA-N 348.215 4.679 0 40 EJAB CCOC(=O)N[C@H]1Cc2ccccc2Sc2ccc(Cl)cc21 347593 HPDNNBBTSMILMR-AWEZNQCLSA-N 333.840 4.835 0 40 EJAB O=C(N1CCCCC1)n1nc(-c2ccccc2)cc1-c1ccccc1 552939 QORCLELQDNEVDR-UHFFFAOYSA-N 331.419 4.671 0 40 EJAB COc1cc2nncc(SCc3ccccc3Cl)c2cc1OC 1693174 KDYLMNMODCWKQA-UHFFFAOYSA-N 346.839 4.593 0 40 EJAB CCC(C)(C)NC(=O)CCN1c2ccccc2Sc2ccccc21 5977787 FCZBVAXDJSEXPI-UHFFFAOYSA-N 340.492 4.984 0 40 EJAB O=C(Nc1ccc(Cl)cc1F)c1csc(-c2cccs2)n1 7920086 IORXEQBUBVAZNE-UHFFFAOYSA-N 338.816 4.916 0 40 EJAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1C 8041464 MKTBQONSTVVTOY-ZDUSSCGKSA-N 337.341 4.728 0 40 EJAB Cc1ccc(-n2c(C)nnc2S[C@@H](C)c2ccc(F)cc2)cc1 8232942 RNCJKISOEFVRSO-ZDUSSCGKSA-N 327.428 4.877 0 40 EJAB Cc1c(Cl)c(CN2CCC[C@H]2c2cccn2C)nc2ccccc12 8945589 VYWSSKWDBADZJP-IBGZPJMESA-N 339.870 4.872 0 40 EJAB CCc1ccc(CN(Cc2ccco2)C(=O)c2ccccc2F)cc1 12062687 DFDIPZXSOLTWEK-UHFFFAOYSA-N 337.394 4.824 0 40 EJAB C[C@H]1C[C@@H](C)CN(C(=O)[C@@H](C)Nc2ccc(-c3ccccc3)cc2)C1 12632384 BWZZFAIARHLJQN-FGTMMUONSA-N 336.479 4.659 0 40 EJAB CCOc1ccc2nc(Cl)c(CNCc3ccc(C)cc3)cc2c1 13535374 RANREAFKGJGHMD-UHFFFAOYSA-N 340.854 4.885 0 40 EJAB CCCCOc1ccc(NC(=O)c2ccc(F)cc2)c2cccnc12 15841070 MBSBPYSFRPSBOI-UHFFFAOYSA-N 338.382 4.805 0 40 EJAB CSc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1 16439825 ZPUJGASXYRQVTO-UKTHLTGXSA-N 328.824 4.608 0 40 EJAB COc1ccc2cc([C@H]3SCC(=O)N3c3ccccc3)ccc2c1 19927278 DNKCISOKTVGYDL-HXUWFJFHSA-N 335.428 4.627 0 40 EJAB CCSc1ccccc1NC(=O)[C@@H](C)Oc1ccccc1Cl 20458514 RWWFQLXEZBFNBK-GFCCVEGCSA-N 335.856 4.858 0 40 EJAB CCCOc1ccc2ccccc2c1CN(C)C(=O)c1ccc(C)nc1 22414553 DEUTXUGVGVRIRP-UHFFFAOYSA-N 348.446 4.604 0 40 EJAB FC(F)n1c(Sc2ncnc3ccsc23)nc2ccccc21 22420201 DXRUDHGUHZYBMF-UHFFFAOYSA-N 334.376 4.587 0 40 EJAB Cc1cc(Cl)ccc1NC(=O)c1cc(C)n(CC(F)(F)F)c1C 27152486 PKJASLOZFUHRCS-UHFFFAOYSA-N 344.764 4.881 0 40 EJAB CCCCCNc1cc(C)nc2c(-c3ccccc3Cl)cnn12 27585621 XKXOANJSBCXETR-UHFFFAOYSA-N 328.847 4.960 0 40 EJAB Cc1cccc(O[C@H](C)C(=O)Nc2ccc(C)c3ncccc23)c1C 31728171 VZMKLBBUMDYGIV-MRXNPFEDSA-N 334.419 4.566 0 40 EJAB COc1ccccc1NC(=O)c1c(C)noc1-c1ccc(Cl)cc1 35681738 OFMFAUJZQQXIOD-UHFFFAOYSA-N 342.782 4.564 0 40 EJAB CN(Cc1csc2ccccc12)C(=O)c1cc2c(s1)CCC2 60536985 UGKGDDLOBZSWBQ-UHFFFAOYSA-N 327.474 4.724 0 40 EJAB Cc1ccc(F)c(NC(=S)Nc2cccc(OC(F)(F)F)c2)c1 65701889 SILXAQIUQCLRKO-UHFFFAOYSA-N 344.333 4.842 0 40 EJAB Cc1ccccc1[C@H]1CCCN1C(=O)Nc1cnc2ccccc2c1 70006369 MIIRRDDFGVXVMY-HXUWFJFHSA-N 331.419 4.912 0 40 EJAB COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc3cc[nH]c3c2)cc1 71817293 OOLIBJFWUVSAKJ-NRFANRHFSA-N 348.446 4.934 0 40 EJAB COc1cc([C@H](C)N[C@H]2CCOc3ccccc32)ccc1SC 95419371 CYWWOYIAZAYJRO-BBRMVZONSA-N 329.465 4.592 0 40 EJAB CC[C@H](C)c1ccc(-n2c(S)nc3ccc(Cl)cc3c2=O)cc1 100435642 MPEVBFOPPVHBJP-NSHDSACASA-N 344.867 4.841 0 40 EJAB C[C@@H](NC(=O)C1c2ccccc2Oc2ccccc21)[C@@H]1C[C@@H]2CC[C@@H]1C2 100861084 NWULNUHXJNDWKR-NNFUDEMPSA-N 347.458 4.865 0 40 EJAB Cc1noc2c1[C@H](C(C)C)C1=C(O)C[C@H](c3ccc(O)cc3)CC1=N2 102744159 ZSELBJCXALPKGL-DYVFJYSZSA-N 338.407 4.904 0 40 EJAB O=C(Nc1cccc(/C=C/c2ccncn2)c1)c1ccccc1Cl 157314721 AGUJDFLXZFAGQE-CMDGGOBGSA-N 335.794 4.553 0 40 EJAB Cc1ccc(C)c(O[C@@H](C)C(=O)NCc2ccc3ccccc3c2)c1 222789006 XTKBEFWKXCNPEL-KRWDZBQOSA-N 333.431 4.540 0 40 EJAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)Cc1cccc(Cl)c1 223599931 FHTGSRXAUFFFKC-KRWDZBQOSA-N 343.854 4.610 0 40 EJAB CSc1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2 224631321 YILSHNDCCURDQI-CQSZACIVSA-N 341.476 4.693 0 40 EJAB O=C(Cc1ccc(-c2ccccc2)cc1)NCc1ccc(Cl)cc1 224970654 KWCZPYTYNIFKRO-UHFFFAOYSA-N 335.834 4.866 0 40 EJAB O=C(NCCSc1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 225625554 TXVKKIITNXZKGA-UHFFFAOYSA-N 345.895 4.741 0 40 EJAB Cc1cc(Cl)ccc1NC(=O)c1cc2cccc(Cl)c2oc1=O 226039533 SCKUQUZIIOBKIN-UHFFFAOYSA-N 348.185 4.661 0 40 EJAB Cc1c(C(F)(F)F)nc2ccc(OCc3ccccc3)cc2c1O 382315437 XUVNWHYWHRMSLA-UHFFFAOYSA-N 333.309 4.847 0 40 EJAB COc1cccc2cc(C(=O)NC3(c4cccs4)CCCC3)oc12 390828107 OTRFJPMDCRATJL-UHFFFAOYSA-N 341.432 4.702 0 40 EJAB O=C(c1cccc(OCc2cccc(F)c2)c1)C(Cl)(Cl)Cl 575357567 LUTOMOXZKBRZBG-UHFFFAOYSA-N 347.600 4.958 0 40 EJAB CCCC[C@@H](CC)CNC(=O)N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 1665564558 QLRLELVBSJVFGW-YCPHGPKFSA-N 334.426 4.577 0 40 EJAB O=C(NC1CCCCC1)c1ccc(COc2ccc(Cl)cc2)o1 115695 LKNCVSAXEMIKJA-UHFFFAOYSA-N 333.815 4.575 0 40 EJAB Cc1ccc(C(=O)c2oc3ccc4c(C)cc(=O)oc4c3c2C)cc1 526781 AMDACVCCXDZOTC-UHFFFAOYSA-N 332.355 4.695 0 40 EJAB biogenic COc1ccccc1/C=C1/C(=O)N(c2ccccc2)c2ccccc21 574938 LKZRAZJQLHSSAZ-XDJHFCHBSA-N 327.383 4.914 0 40 EJAB CN(Cc1ccccc1)c1nc(-c2ccccc2)nc2ccccc12 1745079 YRVAXFVRKQDRHK-UHFFFAOYSA-N 325.415 4.933 0 40 EJAB CCc1ccc([C@H](C)NC(=O)COc2ccc3ccccc3c2)cc1 3617977 OAZUFUMRTFIQIG-INIZCTEOSA-N 333.431 4.658 0 40 EJAB CCCCCc1nnc(NC(=O)c2ccc(OCC(C)C)cc2)s1 4723916 NNHKBXYGVWNPFH-UHFFFAOYSA-N 347.484 4.558 0 40 EJAB CC1=C[C@H](C)[C@H](CN(CCO)C[C@H]2[C@@H](C)C=C(C)C[C@H]2C)[C@@H](C)C1 4763831 KUFAUZJRIITNBN-BPIQYHPVSA-N 333.560 4.758 0 40 EJAB CC(=O)c1cccc(NC(=O)c2ccc(COc3ccc(C)cc3)o2)c1 5033117 PENGKJLIGRILHH-UHFFFAOYSA-N 349.386 4.622 0 40 EJAB CCOc1ccccc1NC(=O)/C=C/c1cccc(C(F)(F)F)c1 7310905 ZQJKEIYKKUGXBF-ZHACJKMWSA-N 335.325 4.756 0 40 EJAB CCc1sc(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc1C 7778653 CSYILUFGCCRXKA-UHFFFAOYSA-N 343.448 4.913 0 40 EJAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1cc2ccccc2o1 8131055 ALRTZCIDBAFBBY-GFCCVEGCSA-N 336.416 4.876 0 40 EJAB CC(=O)CCSc1nnc(-c2ccc(F)cc2)c2ccccc12 9432095 XXYCZPIWTWLFQN-UHFFFAOYSA-N 326.396 4.507 0 40 EJAB Cc1ccccc1OCC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 17963048 RXXZNTZDGSVAHN-LBPRGKRZSA-N 338.234 4.558 0 40 EJAB COc1cccc(CN[C@H](Cc2ccsc2)c2ncccc2C)c1 19237646 PSTDWLGTFFAUSK-LJQANCHMSA-N 338.476 4.534 0 40 EJAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCc1ccc(C)cc1 19932093 UHYFSRGGUDCWDA-FQEVSTJZSA-N 333.431 4.622 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c(C)c1 20460744 BOWCZYDSAZQTRE-HUUCEWRRSA-N 331.843 4.602 0 40 EJAB Cc1ccc2nc(-c3ccccc3)c(NC(=O)c3cccs3)n2c1 21835882 YRYQKCJKDOCJDI-UHFFFAOYSA-N 333.416 4.624 0 40 EJAB Clc1ccc2ccc(/C=C/c3ccc(-n4cncn4)cc3)nc2c1 24833707 LFTVGOSKFJOPOK-LREOWRDNSA-N 332.794 4.639 0 40 EJAB Clc1ccc(C2=N[C@H]3N=C(c4ccccc4)S[C@@H]3S2)cc1 41097531 APJAYBKWRXQIPW-CZUORRHYSA-N 330.865 4.679 0 40 EJAB CC(C)(NCc1ccc(OCc2cscn2)cc1)c1ccccc1 48375446 INRYWXYJFLQFJT-UHFFFAOYSA-N 338.476 4.747 0 40 EJAB Cc1ccc(C(=O)C2CCN(c3ccnc4ccsc34)CC2)cc1 78903790 QYZHEPZNOHMFTL-UHFFFAOYSA-N 336.460 4.704 0 40 EJAB CCC[C@@H](C)C(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 84740076 YSKNAWICIPWTSH-QHGUSXPKSA-N 333.475 4.836 0 40 EJAB O=C(CSCc1ccc(F)cc1)Nc1cccc(C(F)(F)F)c1 216331666 VADYRNLDZSFKMW-UHFFFAOYSA-N 343.345 4.716 0 40 EJAB O=C(O)c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)cc1O 216933942 IBEOIXCPFFRRSR-UHFFFAOYSA-N 347.581 4.630 0 40 EJAB O=C(Nc1cccc2ccccc12)c1cnc(-c2ccc(F)cc2)nc1 222612186 JNKFFIRTDCTYRT-UHFFFAOYSA-N 343.361 4.688 0 40 EJAB CCCOC1(C(=O)Nc2ccc(OC(C)C)c(C)c2)CCCCC1 225657880 JIXVIEZPKVRYAM-UHFFFAOYSA-N 333.472 4.850 0 40 EJAB Cc1ccc(NC(=S)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)cc1 225676855 MBOCQAXCKCEFNU-QGZVFWFLSA-N 340.492 4.892 0 40 EJAB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OC)c(C(F)(F)F)c1 225801352 HRRLWWXYZQPPHI-MRXNPFEDSA-N 347.377 4.638 0 40 EJAB C[C@H](NC(=O)c1ccccc1-n1cccc1)c1ccc2c(c1)CCCC2 1538042131 XIZRQIMYGMXQFM-KRWDZBQOSA-N 344.458 4.847 0 40 EJAB CCC(CC)C(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2 189456 REHHBFJZOOFJBW-UHFFFAOYSA-N 349.887 4.647 0 40 EJAB CSc1nc2ccc(NC(=O)c3ccccc3Cl)cc2s1 207332 OVSRHBHDVSLLST-UHFFFAOYSA-N 334.853 4.924 0 40 EJAB Cc1cc(OC(=O)C2CCCCC2)ccc1NC(=O)C1CCCCC1 383784 JQJHQHOWDRSWCZ-UHFFFAOYSA-N 343.467 5.000 0 40 EJAB CCCCN(CCCC)CCCNc1cc(OC)cc2cccnc12 1687239 IJGRSXRSNLFNCR-UHFFFAOYSA-N 343.515 4.948 0 40 EJAB CC1(C)C[C@H]([C@@H](CCNCc2ccco2)Cc2ccccc2)CCO1 1817952 VGFDASKIEQFNNO-VQTJNVASSA-N 341.495 4.823 0 40 EJAB biogenic O=C1CCCC(=O)N1c1ccc(Oc2ccc3ccccc3c2)cc1 2255497 MRTYPTKIKUHSTO-UHFFFAOYSA-N 331.371 4.676 0 40 EJAB O=C(c1ccc(CN2CCCC2)cc1)c1cccc(Cl)c1Cl 2514583 DSKNEIJAFFYCLB-UHFFFAOYSA-N 334.246 4.820 0 40 EJAB Cc1ccc2nc(NC(=O)[C@@H](C)Oc3cccc(Cl)c3)sc2c1 2748301 XXQFUBSDEXXMMC-LLVKDONJSA-N 346.839 4.664 0 40 EJAB C[P@@](=O)(Nc1ccc(Br)cc1)Oc1ccccc1 3123427 LLHOGDYDZMFAGL-SFHVURJKSA-N 326.130 4.763 0 40 EJAB O=C(Nc1nc(-c2cc(Cl)ccc2Cl)cs1)c1ccco1 3210144 ILQKTENHROSMOJ-UHFFFAOYSA-N 339.203 4.962 0 40 EJAB CC(=O)c1ccc(NC(=O)COc2ccc(-c3ccccc3)cc2)cc1 3213681 UJEIYHAFELPQLY-UHFFFAOYSA-N 345.398 4.574 0 40 EJAB Cc1cccc(C(=O)Nc2c(-c3ccccc3)nc3ccccn23)c1 3906484 ZWLSSAZDXDXOMH-UHFFFAOYSA-N 327.387 4.562 0 40 EJAB C[C@H]1CC2=C(C[C@H]1[C@@H]1OC[C@H](CN3CCCCC3)O1)C(C)(C)CCC2 4005771 GWNYATQURCVOGA-XFIJJGBISA-N 347.543 4.767 0 40 EJAB Fc1ccc(C2=NNC(c3ccc(Cl)cc3)=Nc3ccccc32)cc1 4168683 OVPFNYGUNXHHJI-UHFFFAOYSA-N 349.796 4.913 0 40 EJAB CCCCc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1 4660836 OXGNWEOZOPQNEO-UHFFFAOYSA-N 339.460 4.983 0 40 EJAB CCCCN(CCCC)C(=O)COc1ccc(Cl)cc1Cl 5503396 UQAXNOMZYMXOJO-UHFFFAOYSA-N 332.271 4.801 0 40 EJAB CCCCN1C(=O)S/C(=C/c2ccc(Cl)cc2Cl)C1=O 5867908 STJUAAJWDYXPMS-KPKJPENVSA-N 330.236 4.830 0 40 EJAB Cc1ccc(OCCSc2nnc(C)n2C2CCCCC2)cc1 6477147 PWIVKIACIWREPJ-UHFFFAOYSA-N 331.485 4.571 0 40 EJAB Cc1ccc([S@@](=O)OC2c3ccccc3Cc3ccccc32)cc1 6487900 UQCAOTZZYYGXSS-XMMPIXPASA-N 334.440 4.728 0 40 EJAB COc1ccc(C(C)(C)C)cc1NC(=O)CCOc1ccccc1C 6887235 HKSAJSDVVYVJOF-UHFFFAOYSA-N 341.451 4.709 0 40 EJAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1cccc(Br)c1 8041001 WONUTJQRLGFJHE-MRXNPFEDSA-N 348.240 4.554 0 40 EJAB O=C1N[C@@H](c2c(-c3ccccc3)[nH]c3ccccc23)Nc2ccccc21 8160948 FIXPZKGKPGMBJP-NRFANRHFSA-N 339.398 4.689 0 40 EJAB COc1ccccc1-c1noc(CN(C)c2ccc3ccccc3c2)n1 9377405 CJJHKOWEQDHZCE-UHFFFAOYSA-N 345.402 4.535 0 40 EJAB CC[C@@H](O)c1nc2ccccc2n1CCCOc1ccccc1Cl 12418937 QBHIXJHCBGTXCW-QGZVFWFLSA-N 344.842 4.602 0 40 EJAB C[C@@H](Sc1ccccc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 14906197 DXGVZHFMARYXRM-LLVKDONJSA-N 341.354 4.705 0 40 EJAB O=C(c1ccccc1OCc1ccccc1)[C@H]1O[C@H]1c1ccc(F)cc1 16158836 GOENYUXCFIBHMA-FCHUYYIVSA-N 348.373 4.728 0 40 EJAB CCc1ccccc1Nc1nn(-c2ccccc2)c2c1C(=O)C[C@H](C)C2 20671979 SJLOJHUAUVHLCM-OAHLLOKOSA-N 345.446 4.943 0 40 EJAB COc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1F 25722444 YYPIESAGSQMTDG-UHFFFAOYSA-N 337.350 4.879 0 40 EJAB C[C@@H]([C@H](O)c1ccccc1)N(Cc1ccccc1)Cc1ccccc1 31923531 BOZCOAZLVQXGKP-CVDCTZTESA-N 331.459 4.811 0 40 EJAB Cc1cccc2nc(CSc3ccccc3Br)cn12 32778952 TXAKFYSRNCXXLQ-UHFFFAOYSA-N 333.254 4.698 0 40 EJAB CCn1cc(C(=O)N(Cc2ccc(F)cc2)C2CC2)c2ccccc21 32787690 FHIDZPDXZLDJKM-UHFFFAOYSA-N 336.410 4.605 0 40 EJAB C[C@@H](c1ccco1)N(C(=O)c1csc(-c2ccsc2)n1)C1CC1 56183120 WPMIQICLXBJOOZ-NSHDSACASA-N 344.461 4.830 0 40 EJAB COc1cc(CN[C@H](C)c2ccc(Cl)cc2Cl)cc(OC)c1 57681658 CVMDWBSIEASELO-LLVKDONJSA-N 340.250 4.861 0 40 EJAB CC(C)C[C@@H](C)N(C(=O)CC[C@H]1CCCO1)c1ccc2[nH]ccc2c1 58179205 NSUGBXBZVOGISE-VQIMIIECSA-N 342.483 4.895 0 40 EJAB COCCOc1ccc([C@H](C)Nc2ccc(C)c(C)c2)cc1OC 95462729 MXHZVLDZZDACOY-INIZCTEOSA-N 329.440 4.510 0 40 EJAB CCOc1ccccc1CCCNC(=S)Nc1cc(C)ccc1C 225394747 WRYXZCVRLVIXBU-UHFFFAOYSA-N 342.508 4.621 0 40 EJAB CCCO[C@@](C)(CC)C(=O)Nc1cc(C)c(OCC(C)C)c(C)c1 225732604 BIWHKWPDXJXDBF-FQEVSTJZSA-N 335.488 4.872 0 40 EJAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4C[C@H](C)C(=O)[C@]4(C)CC[C@H]32)C1 253612212 CEDMTUMXNJENDO-JBDFHSDJSA-N 344.495 4.696 0 40 EJAB C[C@@H]1[C@@H](O)C[C@@H]2C[C@H]1[C@H](c1ccc(Cl)c(Cl)c1)OC2(C)C 2037844524 VMLKYABUWFSAFL-PXLMAEHWSA-N 329.267 4.867 0 40 EJAB CCOC(=O)Cn1c(C)c(Sc2ccccc2)c2ccccc21 36662 LQILIJFIMCMLLR-UHFFFAOYSA-N 325.433 4.664 0 40 EJAB O=C(O)CC1(CC(=O)Nc2cc(Cl)cc(Cl)c2)CCCCC1 87280 YRECACVZEOAHIM-UHFFFAOYSA-N 344.238 4.747 0 40 EJAB CC(C)Cn1c(-c2ccccc2)nc(=S)c2c1CC(C)(C)OC2 521911 UNIDTENIMDUHCR-UHFFFAOYSA-N 328.481 4.787 0 40 EJAB CCOc1cc(-c2ccc(N(C)C)cc2)cc(=O)c2c(C)oc(C)c12 526323 ZMBVQLALLVBWIF-UHFFFAOYSA-N 337.419 4.542 0 40 EJAB biogenic CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1cccc(Cl)c1 568852 LGFAHCGVWXEEDT-GFCCVEGCSA-N 346.883 4.980 0 40 EJAB COc1cccc(Cn2c(-c3cccnc3Cl)nc3ccccc32)c1 1386005 KKWAPCRCUKGBJY-UHFFFAOYSA-N 349.821 4.809 0 40 EJAB O=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)c1ccccc1 1413886 AGPNYRFTGPGNQM-UHFFFAOYSA-N 328.371 4.671 0 40 EJAB Cn1c(=O)cc(CNc2ccc(-c3ccccc3)cc2)c2ccccc21 1700621 ROGDGTGVOCQDAE-UHFFFAOYSA-N 340.426 4.818 0 40 EJAB Brc1ccc2c(c1)[C@H]1OCC[C@H]1[C@@H](c1cccs1)N2 4004270 WUIPKVXSZJTSSV-LKTVYLICSA-N 336.254 4.755 0 40 EJAB Cc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2)cc1 4320342 IYQNEJZTLTVZFW-HXUWFJFHSA-N 332.378 4.905 0 40 EJAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC1CCCCCC1 4817025 YPHZBXKNEWDKDR-LLVKDONJSA-N 330.255 4.600 0 40 EJAB CC[C@@H](C)[C@H](N)c1nnc(SCc2ccc(Cl)c(Cl)c2)o1 5082393 JIADJVQUGRKWHR-PELKAZGASA-N 346.283 4.715 0 40 EJAB C[C@H](C[C@@]1(c2ccccc2)CCOC(C)(C)C1)NCc1ccco1 5350373 JARGVZLPOWSQTB-UTKZUKDTSA-N 327.468 4.675 0 40 EJAB CCN(Cc1ccccc1)C(=O)C(C)(C)Oc1ccc(Cl)cc1 6311593 LMCOYDPHSFFFRC-UHFFFAOYSA-N 331.843 4.546 0 40 EJAB Cc1cc2ccccc2n1CC(=O)Nc1nc(-c2ccccc2)cs1 6390267 RSAVGJQWGLTRIP-UHFFFAOYSA-N 347.443 4.712 0 40 EJAB Cc1ccc(NC(=O)c2ccc(N3CCCCC3)cc2)cc1Cl 7504712 VZEGWRQFGAODOV-UHFFFAOYSA-N 328.843 4.891 0 40 EJAB O=C(c1ccc(F)cc1)N1CCc2sccc2[C@H]1c1ccccc1 8324345 DVINBWAAILIEBH-LJQANCHMSA-N 337.419 4.675 0 40 EJAB CCCc1cc(Nc2ccc(C)cc2)n2nc3nc(C)cc(C)c3c2n1 8843996 BDQVVNHNGJZNRJ-UHFFFAOYSA-N 345.450 4.899 0 40 EJAB O=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)c1ccc(F)cc1 10119999 IVRQHLLBUQRVPE-UHFFFAOYSA-N 346.361 4.810 0 40 EJAB C[C@H](NC(=O)c1cc(Cl)ccc1F)c1cccc(C(F)(F)F)c1 12698477 XOSKWJMVRSKZCR-VIFPVBQESA-N 345.723 4.989 0 40 EJAB Cc1nc(-c2ccc(F)cc2)c(CC(=O)N[C@H](C)CCC(C)C)s1 13017042 KTEKTKCRHCIIKL-CYBMUJFWSA-N 348.487 4.741 0 40 EJAB CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1NCc1ccco1 19681946 HEKCAKYUXDKSLB-UHFFFAOYSA-N 344.798 4.578 0 40 EJAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCCC(C)(C)C1 20041071 ZTDCRPMSGAVXGY-HNNXBMFYSA-N 325.905 4.859 0 40 EJAB CC(C)(Oc1ccc(Oc2nc3ccc(Cl)cc3o2)cc1)C(=O)O 22000238 PSZRXYGGKQVTLL-UHFFFAOYSA-N 347.754 4.516 0 40 EJAB CCc1nc2ccc(NC(=O)COc3ccc(Cl)cc3)cc2s1 22255000 MUQAORYFZWWNTN-UHFFFAOYSA-N 346.839 4.530 0 40 EJAB CCCOc1ccccc1OC(=O)c1nc(-c2ccccc2)oc1C 22917793 NSKKNCWAYRSIIO-UHFFFAOYSA-N 337.375 4.658 0 40 EJAB Cc1ccc(C(=O)N[C@H](c2ccccc2)c2cc3ccccc3o2)o1 39535597 FEENZBXYXYEZIB-HXUWFJFHSA-N 331.371 4.854 0 40 EJAB CN(Cc1ccccc1)C(=O)c1cc(-c2cccc3ccccc23)[nH]n1 44838670 DGKYHHOOFIYWFB-UHFFFAOYSA-N 341.414 4.502 0 40 EJAB Cc1cc(C)cc(O[C@H](C)C(=O)N[C@H](C)c2ccc(C)c(C)c2)c1 59351224 OXJVVDPOIHNDGW-QZTJIDSGSA-N 325.452 4.565 0 40 EJAB CC[C@@H](Oc1ccccc1C)C(=O)N[C@@H](C)c1ccc(C)c(C)c1 59351296 FTBYXNFNAFDGIA-PKOBYXMFSA-N 325.452 4.647 0 40 EJAB O=C(Nc1ccc2nc(-c3ccccc3Cl)oc2c1)C(F)(F)F 62059979 NGZHKVRMVIFBTH-UHFFFAOYSA-N 340.688 4.649 0 40 EJAB CC(C)CNc1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)cn1 72213342 PCHRGSLMBZJDSR-INIZCTEOSA-N 333.476 4.612 0 40 EJAB C[C@H](NCc1ccc(Cn2ccnc2)cc1)c1cc2ccccc2o1 95420167 YCUBOJJQZJWKMF-INIZCTEOSA-N 331.419 4.528 0 40 EJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccc(F)cc1 113956536 MRERHEKBSYHLKX-SJCJKPOMSA-N 335.806 4.514 0 40 EJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCC1CCCCC1 224458046 DEFWWPANJQYFQV-LJQANCHMSA-N 325.452 4.694 0 40 EJAB CC(C)Oc1ccc(NC(=S)N[C@@H](C)CCc2ccccc2)cc1 225515479 JUJRMIAEDJTDGP-INIZCTEOSA-N 342.508 4.782 0 40 EJAB CCO[C@]1(C(=O)Nc2ccc(OC(C)C)c(C)c2)CCC[C@H](C)C1 225717278 ZBKOTGBZFFNSQL-MGPUTAFESA-N 333.472 4.706 0 40 EJAB CCOC(=O)c1cc(NC(=O)C2(C)CCCC2)ccc1O[C@H](C)CC 225787838 BSZMEHBZCTWYBB-CQSZACIVSA-N 347.455 4.559 0 40 EJAB CC(C)CCC[C@]1(C)Oc2ccccc2[C@H]2OC[C@]3(CCCN3)C[C@@H]21 257336742 YPUZPBNINFBEJG-FKVLARQCSA-N 343.511 4.864 0 40 EJAB Cc1nnc(SCc2ccc(Cl)cc2)n1-c1ccc(F)cc1 409094321 DBJDANZLDOHNIA-UHFFFAOYSA-N 333.819 4.661 0 40 EJAB Cc1ccc(C(=O)Nc2cccc(OCC(=O)c3ccccc3)c2)cc1 482482 OMXHXCFYZSEGTD-UHFFFAOYSA-N 345.398 4.509 0 40 EJAB O=C(Nc1nc2c(Cl)c(Cl)ccc2s1)c1ccc(F)cc1 557658 YJSDKVMAGORCCT-UHFFFAOYSA-N 341.194 4.995 0 40 EJAB COc1ccc(C)c2sc(NC(=O)c3ccccc3Cl)nc12 2713883 QRHZRJYVHDQNJF-UHFFFAOYSA-N 332.812 4.519 0 40 EJAB CCOC(=O)N[C@@H]1Cc2ccccc2[C@@H]1Sc1ccc(Cl)cc1 3047691 NVJOKZZYFMPHNR-SJORKVTESA-N 347.867 4.844 0 40 EJAB COc1ccc(C)c2sc(NC(=O)c3ccc(SC)cc3)nc12 4517696 OFPIQXALOJMRCX-UHFFFAOYSA-N 344.461 4.588 0 40 EJAB Cc1ccc(NCn2nc(-c3ccccc3)oc2=S)cc1Cl 4670485 ZMVKJDJZUDHCIW-UHFFFAOYSA-N 331.828 4.904 0 40 EJAB CCC1=C(c2ccc(OC)cc2)[C@@H](C)Oc2cc(OC(C)=O)ccc21 4974889 KPUGXDBDCYEGHQ-CYBMUJFWSA-N 338.403 4.722 0 40 EJAB O=C(O)/C(=C/c1cccc2ccccc12)Sc1nc2ccccc2[nH]1 7342866 NKZCCVTZUSNOFM-PDGQHHTCSA-N 346.411 4.934 0 40 EJAB Cc1nc(-c2ccccc2)sc1C(=O)NCc1ccc(Cl)cc1 7996216 MTOCUQCTDIDYMN-UHFFFAOYSA-N 342.851 4.702 0 40 EJAB C[C@H](Nc1ncnc2c1cnn2-c1cccc(Cl)c1)c1ccccc1 8583053 QTLPEXDDJSVWCZ-ZDUSSCGKSA-N 349.825 4.642 0 40 EJAB CC(C)(C)c1ccc(N[C@H](C(=O)NC2CC2)c2ccc(F)cc2)cc1 11153130 FVIDPQKUWWZBIG-IBGZPJMESA-N 340.442 4.555 0 40 EJAB COc1ccc(NC(=O)CCc2ccc(-c3ccc(F)cc3)o2)cc1 11689987 MCOPZKZCQWNHRE-UHFFFAOYSA-N 339.366 4.666 0 40 EJAB c1ccc(CN2CC[C@@H](NC3CCCC3)[C@@H](c3ccccc3)C2)cc1 12113178 NCIDXTBGDVKDPB-DHIUTWEWSA-N 334.507 4.577 0 40 EJAB COc1ccccc1[C@H](C)NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 12785664 HLTSLBRTIOEWLW-AWEZNQCLSA-N 348.446 4.546 0 40 EJAB O=C(Nc1nc2c(s1)CCCCC2)c1ccc(Cl)cc1Cl 12828283 HATCXIJZSJQLRG-UHFFFAOYSA-N 341.263 4.971 0 40 EJAB C[C@H](Sc1ccc(Cl)cc1)C(=O)NC[C@@H](C)c1ccccc1 15377099 AIQREUHYICVUCU-KGLIPLIRSA-N 333.884 4.741 0 40 EJAB CCOC(=O)c1cccc(Nc2cc(-c3ccc(C)cc3)nc(C)n2)c1 15859112 VAGNSQSRLYCJND-UHFFFAOYSA-N 347.418 4.681 0 40 EJAB Cc1ccc(SCC(=O)Nc2nnc(C3CCCCC3)s2)cc1 16722617 QIGGLOQQBPXFSM-UHFFFAOYSA-N 347.509 4.625 0 40 EJAB CCOC(=O)C1=CS[C@@](Cc2ccccc2)(c2ccccc2)S1 24494798 GPDNDYVCQHMPLI-LJQANCHMSA-N 342.485 4.967 0 40 EJAB O=C(Nc1ccc2[nH]c(C(F)(F)F)nc2c1)c1cc2ccccc2o1 30952714 HRGZUVMMNFSBQZ-UHFFFAOYSA-N 345.280 4.580 0 40 EJAB Cc1ccc2c(c1)CCCN2C(=O)c1cc2ccc(C)cc2nc1C 32941082 RNPNHWGJOOMZNP-UHFFFAOYSA-N 330.431 4.753 0 40 EJAB CC(C)c1ccc(SCC(=O)c2ccc3c(c2)CCC(=O)N3)cc1 40068662 ZCMMPFDHUPJCLU-UHFFFAOYSA-N 339.460 4.670 0 40 EJAB C[C@H]1CCCCN1C(=O)c1cccc2c(Br)cccc12 41127288 ZSJSYOZNUSEPLQ-LBPRGKRZSA-N 332.241 4.617 0 40 EJAB CCCCCC(=O)Nc1ccc(-c2csc(CCOC)n2)cc1 48344300 OLQCMCRBSNNTEX-UHFFFAOYSA-N 332.469 4.518 0 40 EJAB CCCCC(=O)NC1CCN([C@@H](C)c2ccc3ccccc3c2)CC1 56284850 IYPSDTIZQGYZCG-KRWDZBQOSA-N 338.495 4.672 0 40 EJAB Cc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1C 57412049 IKLYNFRZHOEUCR-UHFFFAOYSA-N 325.799 4.599 0 40 EJAB CCc1ccc([C@@H](C)NC(=O)c2ccc(Br)cc2)cc1 70134352 YILVFQQPZNZZPT-GFCCVEGCSA-N 332.241 4.503 0 40 EJAB CCOc1ccc(C(=O)NCc2ccc(C(C)C)cc2)cc1OCC 72331512 YZYUHXSDNDYJTM-UHFFFAOYSA-N 341.451 4.537 0 40 EJAB C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(NC2CCCCC2)cc1 78594333 JNIHYTYQYMJROE-IRXDYDNUSA-N 344.499 4.600 0 40 EJAB Cc1ccc(CNC(=O)c2c(-c3ccc(Cl)cc3)noc2C)cc1 80343665 IBLVIXRSZIQTEA-UHFFFAOYSA-N 340.810 4.542 0 40 EJAB CC(C)Nc1cccc(F)c1NCc1csc([C@H]2CCCO2)n1 97233471 QKTHILBTDHHCEG-OAHLLOKOSA-N 335.448 4.566 0 40 EJAB C[C@H](NC(=O)Nc1cccc(C(F)(F)F)c1)[C@H]1C[C@@H]2CC[C@@H]1C2 101358518 BAQRJTWSAPHMNM-FUTJPDQTSA-N 326.362 4.652 0 40 EJAB COc1ccc([C@H]2CC3=Nc4ccccc4N=CC3=C(O)C2)c(OC)c1 102581058 VLPVHJQOIHHFRN-ZDUSSCGKSA-N 348.402 4.882 0 40 EJAB O=C(NCCC1=CCCCC1)c1ccc(-c2nc3ccccc3[nH]2)cc1 225254489 ZUCJMUGNGBEPOR-UHFFFAOYSA-N 345.446 4.850 0 40 EJAB Cc1ccccc1CNc1ccccc1NC(=O)[C@H](C)c1ccccn1 252489712 JYAOVEFNAWDSRX-QGZVFWFLSA-N 345.446 4.744 0 40 EJAB Fc1ccc(CSc2nnc(C34CC5CC(CC(C5)C3)C4)[nH]2)cc1 253575231 UIUHBFFZOCZYAI-UHFFFAOYSA-N 343.471 4.704 0 40 EJAB O=C(NCCSCc1cccc(Cl)c1)c1cc2ccccc2o1 408621894 PWVUTFYOPNVMSQ-UHFFFAOYSA-N 345.851 4.749 0 40 EJAB Cc1ccc2c(Cl)c(C3=N/C(=C/c4ccco4)C(=O)O3)sc2c1 408840017 AGVBCYVFBYYUGP-XYOKQWHBSA-N 343.791 4.801 0 40 EJAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(Cl)cn1 183867 GKDJSYQRPWZACW-UHFFFAOYSA-N 348.189 4.604 0 40 EJAB COc1ccc(/C=C/C(=O)Nc2ccc3ccccc3c2)c(OC)c1 1940538 WYPGITRTAXJEJG-FMIVXFBMSA-N 333.387 4.509 0 40 EJAB CCOC(=O)c1cc(C(C)(C)C)oc1CP(=O)(OCC)OCC 2298667 MCRBYJDBCNGJBN-UHFFFAOYSA-N 346.360 4.520 0 40 EJAB C[C@@H](N[C@@H]1CCCc2ccccc21)C(=O)Nc1ccc2ccccc2c1 3476767 AOFYTWRPMZATHC-OPAMFIHVSA-N 344.458 4.834 0 40 EJAB CC[C@@]1(C)Cc2ccccc2-c2[nH]c(=S)n(-c3ccccc3)c(=O)c21 5031374 QLLJNTJSHQFULX-NRFANRHFSA-N 348.471 4.786 0 40 EJAB C[C@@H](NC(=O)C[C@@H](c1ccc(F)cc1)c1ccco1)c1ccccc1 5478417 MMNJAEVCVXIQDG-BEFAXECRSA-N 337.394 4.818 0 40 EJAB CC(=O)c1ccc(OC(=O)COc2ccccc2-c2ccccc2)cc1 5576217 FCCTVELUBLCXOD-UHFFFAOYSA-N 346.382 4.541 0 40 EJAB CCN(CC)CCC[C@H](C)/N=c1\cc(C)[nH]c2cc(Cl)ccc12 5791270 GYFRJEFMZQFVLO-AWEZNQCLSA-N 333.907 4.541 0 40 EJAB COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc(OC(F)F)cc1 6515534 ZUFLSSDEUIQBAJ-UHFFFAOYSA-N 349.377 4.846 0 40 EJAB O=C(/C=C/c1nc2ccccc2s1)N1CCC[C@H]1c1cccs1 6654204 KDNNYPAYZVYCAQ-HBWSCVEGSA-N 340.473 4.735 0 40 EJAB Cc1ccc2occ(CC(=O)N3CCC(Cc4ccccc4)CC3)c2c1 6809741 XGEPFGDBVSIIDR-UHFFFAOYSA-N 347.458 4.765 0 40 EJAB CSc1ccc2nc(Nc3nnc(-c4ccccc4)o3)sc2c1 7447998 PAOIMZKZVDMXIZ-UHFFFAOYSA-N 340.433 4.812 0 40 EJAB Cc1ccc([C@@H](NC(=O)Cc2ccccc2F)c2ccccc2)cc1 7686116 TYWYBXQZKJFFRS-QFIPXVFZSA-N 333.406 4.582 0 40 EJAB C[C@@H](Sc1ccccc1F)C(=O)N[C@@H]1CCCc2ccccc21 7716065 ITKOPBKEHAWEMB-CXAGYDPISA-N 329.440 4.500 0 40 EJAB O=C(CN(C1=NCCCC1)c1ccc(Cl)cc1)c1cccs1 8419607 UYJVFEWXXSGYEQ-UHFFFAOYSA-N 332.856 4.673 0 40 EJAB Oc1cccc(C2=NN3[C@H](c4ccsc4)Oc4ccccc4[C@H]3C2)c1 10215380 ZAPRQINYUUNAMD-QUCCMNQESA-N 348.427 4.696 0 40 EJAB CCSc1ccc(CC(=O)Nc2ccc3nc(C)sc3c2)cc1 10252432 HJKQAQYSDHROFM-UHFFFAOYSA-N 342.489 4.898 0 40 EJAB O=C(NCCCCOc1ccccc1)c1cc(Cl)ccc1Cl 11079380 RDESMOLLCOEENN-UHFFFAOYSA-N 338.234 4.582 0 40 EJAB Cc1ccc(-c2nc(CSc3nc(C4CCCC4)n[nH]3)co2)cc1 12822032 KNCRLDVZKMWKFE-UHFFFAOYSA-N 340.452 4.718 0 40 EJAB CCn1c(SCc2ccc(F)cc2)nnc1-c1ccccc1C 14081758 HHERMMDQVNBETC-UHFFFAOYSA-N 327.428 4.705 0 40 EJAB COc1cc(-c2csc(-c3ccc(F)cc3)n2)cc(OC)c1OC 14246153 DCFPNZILOFTXGE-UHFFFAOYSA-N 345.395 4.642 0 40 EJAB Cc1cccc(NC(=O)c2ccccc2NC(=O)C2CCCC2)c1C 20417877 UAJYZRMQMVYOQZ-UHFFFAOYSA-N 336.435 4.684 0 40 EJAB CC[C@@H](NC(=O)CSCc1cccc(C)c1)c1ccc(OC)cc1 25513643 PFFGJNQFZWIJCQ-LJQANCHMSA-N 343.492 4.504 0 40 EJAB CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)c1ccc(C)cc1 38771992 LXHSVDLGQJSAMR-WMLDXEAASA-N 331.843 4.683 0 40 EJAB CN(C)C(=S)c1ccc(-c2ccc(Br)cc2Cl)o1 40542487 WEXIDRUGYQLLTG-UHFFFAOYSA-N 344.661 4.600 0 40 EJAB CCc1ccc(O[C@@H](C)C(=O)Nc2ccc(C)c3ncccc23)cc1 41157625 SEWSMGAYZHEIMZ-HNNXBMFYSA-N 334.419 4.512 0 40 EJAB CSc1cccc(NC(=O)Nc2cccc(Br)c2)c1 51354334 APGGUCQFFHMLIA-UHFFFAOYSA-N 337.242 4.815 0 40 EJAB c1ccc(-c2nnc(SCCCc3nc4ccccc4o3)o2)cc1 54202979 ZBLOAAAQTUJYKW-UHFFFAOYSA-N 337.404 4.603 0 40 EJAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N(C)[C@H](C)c1ccco1 69103838 BCGFFWGPJJKDSV-UKRRQHHQSA-N 330.428 4.597 0 40 EJAB O=C(CCc1nc2ccccc2s1)N1CCCC[C@@H]1c1ccco1 70019873 RZFHZPPNWVUSFV-OAHLLOKOSA-N 340.448 4.576 0 40 EJAB COc1cc(-c2ccccc2)sc1C(=O)NCc1sccc1C 71811762 PSBOOLJRESBOCM-UHFFFAOYSA-N 343.473 4.724 0 40 EJAB Cc1csc(-c2ccc(C(=O)N3CCC[C@@H]4CCCC[C@H]43)cc2)n1 71847883 QSBIJYSONPMEBP-MAUKXSAKSA-N 340.492 4.913 0 40 EJAB CC(C)CN1CCCC[C@@H]1c1cccnc1NC(=O)OC(C)(C)C 72214400 DWNPVPOQWAOLTB-MRXNPFEDSA-N 333.476 4.612 0 40 EJAB Cc1ccc(OCc2nc(COc3cccnc3Cl)cs2)cc1 78791642 CVJYWJJHXDICRO-UHFFFAOYSA-N 346.839 4.658 0 40 EJAB Cc1ccc(-c2cc(C(=O)Nc3cccc(N4CCCC4)c3)on2)cc1 84171849 DWYYLAAQLKSTEA-UHFFFAOYSA-N 347.418 4.503 0 40 EJAB Cc1ccc(-c2noc(CCCSc3ccc(O)cc3)n2)cc1F 84185418 IJYVWIVKGUULSG-UHFFFAOYSA-N 344.411 4.615 0 40 EJAB CC(C)(C)c1cn2nc(N[C@@H]3CCC[C@H](C(F)(F)F)C3)sc2n1 95947946 PPRCQJVLJIJRLE-VHSXEESVSA-N 346.422 4.621 0 40 EJAB COc1cc(CN[C@]2(C)CCCc3ccccc32)cc(Cl)c1OC 95960010 SGIHNULVDVHNDF-HXUWFJFHSA-N 345.870 4.699 0 40 EJAB CCC[C@@H]1OC[C@@]2(COC(=O)c3ccccc3)[C@@H](C)C=C(C)[C@H]1[C@@H]2C 105364458 NXYZFNXQKYPHHD-JBISBCIJSA-N 342.479 4.877 0 40 EJAB biogenic Cc1cc(C)c([C@H](C)NC(=O)c2ccc(Br)cc2)cc1C 223394102 XNWVTYPYHILUDD-AWEZNQCLSA-N 346.268 4.865 0 40 EJAB C[C@H](SCc1ccccc1)C(=O)Nc1ccc(N2CCCC2)cc1 224898208 ZFXRICFMAFVJDC-INIZCTEOSA-N 340.492 4.547 0 40 EJAB COc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cc1Cl 225184799 RFZBPTKAHXGEKD-UHFFFAOYSA-N 344.625 4.585 0 40 EJAB CC(C)[C@H](C)NC(=O)c1cc(Cl)ccc1OCc1ccccc1 225222305 SENGGYANFRDWDJ-AWEZNQCLSA-N 331.843 4.693 0 40 EJAB O=C(Nc1ccc(Cl)cc1)[C@H](NC1CCCCC1)c1ccccc1 408734136 KZYJAHUQFLMSAM-LJQANCHMSA-N 342.870 4.942 0 40 EJAB Cc1ccc(CSCCNC(=O)Nc2ccc(Cl)cc2)cc1 409408957 FKEHAOINEFEGPW-UHFFFAOYSA-N 334.872 4.703 0 40 EJAB O=C(O)c1cc2sccc2n1Cc1ccc(Cl)c(Cl)c1 24091 DPHWBTRBOKNJEB-UHFFFAOYSA-N 326.204 4.756 0 40 EJAB COc1ccc(-c2c(C)c3cc(Cl)c(C)cc3oc2=O)cc1OC 57778 MKCZKPFUWWZDMG-UHFFFAOYSA-N 344.794 4.747 0 40 EJAB biogenic Cc1ccc(-n2c(C)nnc2SCc2ccc(Cl)cc2)cc1 349925 OWRVMUWZGDABBD-UHFFFAOYSA-N 329.856 4.830 0 40 EJAB FC(F)(F)c1cnc(-n2cc3c(n2)-c2ccccc2CC3)c(Cl)c1 1401054 PNBQEXVSDLUQDV-UHFFFAOYSA-N 349.743 4.705 0 40 EJAB CCOC(=O)c1cc(-c2cccnc2)nc2c(Cl)cc(Cl)cc12 1622198 QKYICHQFNSJELQ-UHFFFAOYSA-N 347.201 4.780 0 40 EJAB O=C(c1ccccc1)c1cc(Br)c2cccc3c2c1CC3 1723059 ZMNYJQKBUANXIK-UHFFFAOYSA-N 337.216 4.932 0 40 EJAB CC[C@@]1(C)C[C@](CCN(Cc2ccco2)C(C)=O)(C(C)C)CCO1 2110867 WECPRHUTBOEXOM-VQTJNVASSA-N 335.488 4.640 0 40 EJAB biogenic Cc1cccc(NC(=O)CSc2nc3cc(Cl)ccc3s2)c1 2395323 PKVBVMVWHKXFBO-UHFFFAOYSA-N 348.880 4.989 0 40 EJAB Cc1cc(C)cc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)c1 2639486 GGGWUJWQHDFOQA-UHFFFAOYSA-N 347.443 4.932 0 40 EJAB CCCOc1ccc(C(=O)c2ccc(OC)cc2)cc1OCCC 3040577 UFNXORMEPMXGBZ-UHFFFAOYSA-N 328.408 4.504 0 40 EJAB CCCn1c(SCc2cccc(Cl)c2)nc2ccccc2c1=O 3274751 KJPNWNZULSDVDH-UHFFFAOYSA-N 344.867 4.752 0 40 EJAB CC(C)CCC[C@H](C)NC[C@H](O)COc1cc(Cl)ccc1Cl 3418376 ODGZLHOIZGXATR-ZFWWWQNUSA-N 348.314 4.538 0 40 EJAB C[C@@H](Sc1ccccc1F)C(=O)Nc1ncc(Cl)cc1Cl 3473430 KIOZMVNYZAKTNH-MRVPVSSYSA-N 345.226 4.647 0 40 EJAB Cc1cc(C)cc(C(=O)Nc2nnc(-c3ccccc3Cl)s2)c1 4072143 LSJCCKOTONQVLW-UHFFFAOYSA-N 343.839 4.728 0 40 EJAB O=C(O)CCCCCCCCCCNc1ncnc2ccccc12 4226166 ZLAIOBRYJZXNBL-UHFFFAOYSA-N 329.444 4.637 0 40 EJAB O=C(Nc1ccccn1)c1cc(-c2cccs2)nc2ccccc12 5395222 IESJPISZRDVKHK-UHFFFAOYSA-N 331.400 4.611 0 40 EJAB Cc1ccc(C(=O)Nc2ccc(CN3CCCCC3)cc2)c(Cl)c1 5968052 IDQKBWNAAUYKTI-UHFFFAOYSA-N 342.870 4.887 0 40 EJAB CCc1ccc(-c2cc(-c3nnc(S)n3C)c3ccccc3n2)cc1 6709934 ACVNWXUWSKZVSJ-UHFFFAOYSA-N 346.459 4.548 0 40 EJAB CCc1ccccc1NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 7472562 IQZPYCPJJKIXGH-HNNXBMFYSA-N 325.452 4.953 0 40 EJAB O=C1Cc2cc(-c3csc(-c4ccc(Cl)cc4)n3)ccc2N1 8394863 XVJDRHVJLWYKEL-UHFFFAOYSA-N 326.808 4.625 0 40 EJAB O=C(CSc1ncc(-c2ccccc2)n1C1CC1)c1ccccc1 11262932 NDIPDJLVQNNPDZ-UHFFFAOYSA-N 334.444 4.860 0 40 EJAB C[C@@H](NC(=O)c1ccccc1NC(=O)CC(C)(C)C)c1ccccc1 12780628 MPDLRGBCIUYIMV-OAHLLOKOSA-N 338.451 4.552 0 40 EJAB O=C(CCc1ccc(-c2ccc(F)cc2)o1)Nc1ccccc1F 15867355 ZHJYATZVBSLKNG-UHFFFAOYSA-N 327.330 4.796 0 40 EJAB C/C=C\COc1cc2c(cc1[C@@H](C)c1ccc(OC)cc1)OCO2 17140319 OAANJINSLHMPTL-WSNITJDQSA-N 326.392 4.531 0 40 EJAB CCSc1ccccc1NC(=O)CSCc1ccc(F)cc1 20492734 ZDUGNBYNWVCYTF-UHFFFAOYSA-N 335.469 4.810 0 40 EJAB Clc1ccc(-c2noc(-c3ccnc(Cl)c3)n2)c(Cl)c1 22120498 YYGIBGLMCWTSBS-UHFFFAOYSA-N 326.570 4.759 0 40 EJAB O=C(Nc1ccccc1)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1 22832902 FDZIFIJFUJXVFH-UHFFFAOYSA-N 349.365 4.722 0 40 EJAB Cc1ccc(OCc2coc(-c3ccccc3)n2)c2c1[C@H](C)CC2=O 25823381 KIMHVKJZYUYXOD-CQSZACIVSA-N 333.387 4.919 0 40 EJAB O=C(/C=C/c1ccc2c(c1)CCO2)Nc1ccccc1SC(F)F 26076860 UBAUPGIFPFOXAD-SOFGYWHQSA-N 347.386 4.588 0 40 EJAB c1coc(-c2nnc(SCCOc3ccc4ccccc4c3)o2)c1 32827033 AZKSHLJYYYWELL-UHFFFAOYSA-N 338.388 4.654 0 40 EJAB Cc1ccc(SCCNC(=O)N(C)[C@H](C)c2ccc(F)cc2)cc1 32862336 IOBXOVYRDPSIBJ-OAHLLOKOSA-N 346.471 4.629 0 40 EJAB CN(CN1C(=O)c2cccc3cccc1c23)[C@H]1CCCc2ccccc21 32899424 SFGNCYDPEVLZHR-FQEVSTJZSA-N 342.442 4.767 0 40 EJAB CCCC(=O)c1cn(CC(=O)N(CC)c2ccccc2)c2ccccc12 33654903 ANIJPDRNPPFRAH-UHFFFAOYSA-N 348.446 4.677 0 40 EJAB CCc1ccccc1O[C@@H](C)C(=O)N[C@@H](C)c1ccc(C)cc1C 38772895 IKHOHUSKDYNCIG-IRXDYDNUSA-N 325.452 4.511 0 40 EJAB CCc1cccc(CC)c1NC(=O)[C@H](C)Oc1ccc(C)cc1C 64982928 GHZOMFXEKPDMBY-INIZCTEOSA-N 325.452 4.834 0 40 EJAB O=C(C=C1CCCCC1)Nc1ccc(CCN2CCCCC2)cc1 65811966 WFMDSNRPHYOCAG-UHFFFAOYSA-N 326.484 4.544 0 40 EJAB COc1ccccc1-c1cc(-c2ccc(Cl)c(Cl)c2)nc(N)n1 71977906 NLUSIZSNKQKPBM-UHFFFAOYSA-N 346.217 4.708 0 40 EJAB COc1ccccc1NC(=O)NC(C)(c1ccccc1)c1ccccc1 72271034 NVNMTPGLVMVKIW-UHFFFAOYSA-N 346.430 4.780 0 40 EJAB Cc1nc(Oc2cccnc2F)c2c(-c3ccccc3)csc2n1 84927809 CNTGBALGSFXQBB-UHFFFAOYSA-N 337.379 4.993 0 40 EJAB O=C(Nc1cccc2cccnc12)c1cccc(Oc2ccccn2)c1 96122655 CAFCOYLBWUWHMO-UHFFFAOYSA-N 341.370 4.674 0 40 EJAB CC1(C)[C@@H]2CC[C@]1(C)c1nc(SCc3ccc(Cl)cc3)nnc12 100251750 ZJTFZELJDIFDGW-FZKQIMNGSA-N 345.899 4.992 0 40 EJAB O=C(c1ccc(Cl)s1)N1CCCC[C@@H](c2ccc(F)cc2)C1 211080564 JUTNZTQEHOYMCT-CYBMUJFWSA-N 337.847 4.951 0 40 EJAB O=C1S/C(=C/c2ccccc2)C(=O)N1Cc1c(F)cccc1Cl 215149972 OZTBBWLYGUGOBX-OQLLNIDSSA-N 347.798 4.716 0 40 EJAB CCOC(=O)c1ccc(OCc2ccccc2Cl)c(Cl)c1 216813704 SALICRCWODVHEK-UHFFFAOYSA-N 325.191 4.749 0 40 EJAB CC[C@@H](NC(=O)[C@@H](C)Oc1cccc(Cl)c1)c1ccc(C)cc1C 219292790 QRLMJCOSQPVCCV-DNVCBOLYSA-N 345.870 4.992 0 40 EJAB CCCOCc1cc(C(=O)Nc2ccc(C)cc2)ccc1OCC 224704174 NQVDJYVGHFIROH-UHFFFAOYSA-N 327.424 4.573 0 40 EJAB Cc1ccc(C(C)C)c(OCC(=O)N[C@H]2CCCc3ccccc32)c1 225754384 WVYHZJIQTANYKJ-FQEVSTJZSA-N 337.463 4.691 0 40 EJAB CN(C)c1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccccc2)cc1 522118 URECTSNXAXRQHO-OAQYLSRUSA-N 343.430 4.524 0 40 EJAB CCC(=O)Oc1ccc2c(=O)c(-c3ccc(Cl)cc3)c(C)oc2c1 540627 RZTRCTFNQQIGKH-UHFFFAOYSA-N 342.778 4.737 0 40 EJAB biogenic O=C(Sc1cccc2cccnc12)c1ccccc1Br 1078795 SVAGCAFOMRRHDH-UHFFFAOYSA-N 344.233 4.930 0 40 EJAB CCOc1ccc(NC(=O)Nc2cc(C(C)C)c(O)cc2C)cc1 1665708 LGZKMCPWHQJILP-UHFFFAOYSA-N 328.412 4.867 0 40 EJAB O=C(COc1ccccc1-c1ccccc1)Nc1ccc(F)c(F)c1 2633512 SFGYQJUZRFUXFU-UHFFFAOYSA-N 339.341 4.649 0 40 EJAB Cc1cc(C)c2nc(NC(=O)CSc3ccccc3)sc2c1 4496625 IEOHVLROXPEONB-UHFFFAOYSA-N 328.462 4.644 0 40 EJAB O=C(Nc1ccccc1)Nc1cccc(-c2cn3ccccc3n2)c1 4649869 NMRITHFPAKHBRY-UHFFFAOYSA-N 328.375 4.645 0 40 EJAB O=C(c1cc2sccc2n1Cc1ccccc1)N1CCCCCC1 4970973 KMCAZBDUICMUFV-UHFFFAOYSA-N 338.476 4.767 0 40 EJAB CCCCC1(CCCC)C(=O)N=C(Nc2cccc(C)c2)N=C1O 5764799 NVSZUDRANZPUOP-UHFFFAOYSA-N 329.444 4.626 0 40 EJAB biogenic Cc1cnc(NC(=O)c2cc3c(s2)-c2ccccc2CC3)s1 6969172 ASXDQUKMHVRCDE-UHFFFAOYSA-N 326.446 4.531 0 40 EJAB O=C(/C=C/c1nc2ccccc2o1)OCc1cccc2ccccc12 7155472 UMTCDFYUGDPBHM-OUKQBFOZSA-N 329.355 4.738 0 40 EJAB Cc1ccc(NC(=O)Cc2csc(-c3ccsc3)n2)cc1C 8007326 RVFAQGMZIHJCGP-UHFFFAOYSA-N 328.462 4.670 0 40 EJAB Cc1noc2nc(-c3ccccc3F)cc(C(=O)Nc3ccccc3)c12 9049591 MVCLINGNBYDGIY-UHFFFAOYSA-N 347.349 4.590 0 40 EJAB Cc1cc(C)c(NC(=O)CN2CCc3sccc3[C@@H]2C)c(Cl)c1 12760651 IUFJUWFACKTZTK-ZDUSSCGKSA-N 348.899 4.576 0 40 EJAB CC1=C(C)[C@@H](c2c[nH]c3ccccc23)N(CCc2ccccc2)C1=O 13957618 ILQUODJUHAGTHZ-NRFANRHFSA-N 330.431 4.630 0 40 EJAB c1ccc(-c2ccc(-c3nn4c(-c5ccccc5)nnc4s3)o2)cc1 19910156 KHLAHCQJBUNSQK-UHFFFAOYSA-N 344.399 4.780 0 40 EJAB COc1ccc(C(=O)Nc2cc(-c3ccc(C)cc3)no2)cc1Cl 27793799 ZYNVXBNOUHAWRY-UHFFFAOYSA-N 342.782 4.564 0 40 EJAB CCCC(=O)Nc1nnc(-c2ccccc2-c2ccc(F)cc2)s1 27913975 MBSFEQZAPUBWSP-UHFFFAOYSA-N 341.411 4.750 0 40 EJAB CCC(CC)C(=O)Nc1sc(C)c(-c2ccccc2)c1C(=O)OC 28284502 CRVVZFMZQSNRRY-UHFFFAOYSA-N 345.464 4.885 0 40 EJAB CCOc1ccc(OC(=O)c2ccccc2C(=O)c2ccccc2)cc1 32902130 HBRKVRUITUMUPW-UHFFFAOYSA-N 346.382 4.536 0 40 EJAB COc1ccc(OCCSCc2nc3ccccc3s2)cc1 58278202 NYGWAEILEVBIAP-UHFFFAOYSA-N 331.462 4.617 0 40 EJAB COC(=O)c1cc(OCc2cc(C)ccc2C)c2cc(C)ccc2n1 65033147 XTJKVULKCMFDDH-UHFFFAOYSA-N 335.403 4.526 0 40 EJAB O=C(c1ccccc1)N1CCC[C@@H]1c1cccnc1Oc1ccccc1 72212206 NDOBWDLMCGSMPP-HXUWFJFHSA-N 344.414 4.851 0 40 EJAB CC(C)CNc1ccc([C@H]2CCCCN2C(=O)c2ccccc2)cn1 72213351 RYSQMXBBAODDTL-LJQANCHMSA-N 337.467 4.517 0 40 EJAB CCc1ccc(C2=C[C@H](c3ccc(Cl)cc3)n3ncnc3N2)cc1 100968143 KQJDXNNAZOPPQF-GOSISDBHSA-N 336.826 4.550 0 40 EJAB CCCCCc1nnc(NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)s1 107835004 SFMMYLUGWZEKAG-QWRGUYRKSA-N 349.422 4.578 0 40 EJAB Cc1ccccc1OC[C@@H](C)NC(=O)CCc1cccc2ccccc12 222676996 BFSGQJPBHNIPQE-GOSISDBHSA-N 347.458 4.665 0 40 EJAB C[C@H]1Cc2ccccc2N1C(=O)CCc1c(Cl)cccc1Cl 225354495 RDWPZNXFXMIGJS-LBPRGKRZSA-N 334.246 4.904 0 40 EJAB Cn1cnc2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)ccc21 225892071 NCUIZQRKIQCOBE-UHFFFAOYSA-N 343.386 4.618 0 40 EJAB Cc1ccc(-c2ccc(OC(=O)c3cccc(Cl)c3)nn2)cc1C 408531677 WLYAYPQRICZSDU-UHFFFAOYSA-N 338.794 4.633 0 40 EJAB COc1cccc(C2(C(=O)NC3CCC(c4ccccc4)CC3)CC2)c1 505609587 ZOJFKCGUPCOJHX-UHFFFAOYSA-N 349.474 4.569 0 40 EJAB COc1ccc(C(=O)[C@@H](C)c2ccc(CC(C)C)cc2)c(OC)c1 165849 UVHJXEPTGFQBHN-HNNXBMFYSA-N 326.436 4.889 0 40 EJAB Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccccc3C)c2)c1 1006604 MPBMUMRSUWXNEU-UHFFFAOYSA-N 344.414 4.808 0 40 EJAB CCOC(=O)Nc1cc2c(cc1Cl)-c1ccc(Cl)cc1C2=O 1569600 AWRJIXIEKPTIMG-UHFFFAOYSA-N 336.174 4.773 0 40 EJAB Cc1cccc(CN(C)C)c1CC(O)(c1ccccc1)c1ccccc1 1632683 AZMGGIOWSZZIJB-UHFFFAOYSA-N 345.486 4.535 0 40 EJAB O=C(Cc1ccc(Cl)cc1)OCc1csc(-c2ccccc2)n1 2631175 DZAYRYUKBXOAPH-UHFFFAOYSA-N 343.835 4.749 0 40 EJAB CC(=O)c1ccc(Oc2nc(-c3cccnc3)nc3ccccc23)cc1 3430206 QBKMCXLSVBRWOS-UHFFFAOYSA-N 341.370 4.687 0 40 EJAB O=C(Nc1nnc(-c2ccc(F)cc2)s1)c1ccc2ccccc2c1 4079037 UAAITJFTCCTGKW-UHFFFAOYSA-N 349.390 4.750 0 40 EJAB C[C@@H](CCc1ccccc1)NC(=O)Nc1cccc(C(F)(F)F)c1 6260317 PYWWRWOAIUFIDY-ZDUSSCGKSA-N 336.357 4.848 0 40 EJAB CCCN1C(=O)S/C(=C/c2cccn2-c2cccc(C)c2C)C1=O 6629578 FCAFELOFKLRYOT-SFQUDFHCSA-N 340.448 4.540 0 40 EJAB CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2cc(-c3ccc(F)cc3)no2)C1 6872597 PGWRDOBGUKDGOG-FOIQADDNSA-N 342.414 4.522 0 40 EJAB CCN(C(=O)COc1ccc(C)cc1OC)c1cccc2ccccc12 8131944 QLPSPHOGYQNWSJ-UHFFFAOYSA-N 349.430 4.589 0 40 EJAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)c1 8558709 CSHBMOMVLSUMNH-CYBMUJFWSA-N 337.341 4.728 0 40 EJAB Cc1ccc2nc3c(cc2c1)c(NC(=O)CC(C)C)nn3CC(C)C 9361209 OHRGUFHWAWIWCR-UHFFFAOYSA-N 338.455 4.534 0 40 EJAB Clc1ccc(-c2nc(CSc3ncccc3Cl)no2)cc1 12907059 OVUNYQMBYGSKNI-UHFFFAOYSA-N 338.219 4.731 0 40 EJAB CC(=O)c1ccc(C(=O)N(C)[C@H](C)c2cc3ccccc3o2)s1 13011416 NNDFUVPZGVLJNW-LLVKDONJSA-N 327.405 4.530 0 40 EJAB CCCc1ccc(NC(=O)c2cc(C3CC3)nc3onc(C)c23)cc1 14481724 LWBAEOLRHSFUBI-UHFFFAOYSA-N 335.407 4.613 0 40 EJAB CCn1cc(Cl)c(C(=O)Nc2ccc(Oc3ccccc3)cc2)n1 28222939 RZVJWJLNWVWSIF-UHFFFAOYSA-N 341.798 4.601 0 40 EJAB COc1cccc(Nc2c(-c3ccc(O)cc3)nc3cccc(C)n23)c1 35616216 HEWIUDYLONAFSI-UHFFFAOYSA-N 345.402 4.768 0 40 EJAB COc1ccc2nc(C)c(C(=O)Nc3ccc4[nH]c(C)cc4c3)cc2c1 43845135 ZPCUZDRWGMAABF-UHFFFAOYSA-N 345.402 4.594 0 40 EJAB Cc1cc2nc(N)sc2c(C)c1NC(=O)c1cccc2ccccc12 45889078 SNSQCAUBLHREID-UHFFFAOYSA-N 347.443 4.901 0 40 EJAB CC(C)(C)C[C@H]1CCCN1C(=O)Nc1cccnc1N1CCCCC1 61775928 LMIPQECBHPXSQK-MRXNPFEDSA-N 344.503 4.504 0 40 EJAB Cc1cc(O[C@@H](C)C(=O)Nc2ccc(OC(C)C)cc2)ccc1Cl 64982248 RMTMYCVSHWZXBA-AWEZNQCLSA-N 347.842 4.842 0 40 EJAB Cc1nc(SCc2ccccc2)ccc1CNC(=O)OC(C)(C)C 72224487 GITCWOIDFHTGQY-UHFFFAOYSA-N 344.480 4.707 0 40 EJAB C[C@H]1CCCC[C@@H]1NC(=O)CCCOc1ccc(Cl)cc1Cl 75241577 PHLXDYYQKXRTQV-WFASDCNBSA-N 344.282 4.847 0 40 EJAB Cc1cccc(C2(C(=O)N[C@@H](C)c3ccccc3C(F)(F)F)CC2)c1 84210677 QPNAMZSHTGBKFC-AWEZNQCLSA-N 347.380 4.923 0 40 EJAB Cc1ccc(O[C@H](C)C(=O)N[C@H](CC(C)C)c2ccccc2)c(C)c1 219530820 NOSCQJZXJUUZJY-UYAOXDASSA-N 339.479 4.974 0 40 EJAB COc1ccccc1CCCNC(=O)CCc1cccc2ccccc12 222672022 NGQREGZQPPTYPI-UHFFFAOYSA-N 347.458 4.530 0 40 EJAB CC(C)(C)c1ccc(OCC(=O)NCc2ccc3ccccc3c2)cc1 222787144 KDZHMMQWXHXZMY-UHFFFAOYSA-N 347.458 4.833 0 40 EJAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCc1ccc2ccccc2c1 222795630 ZRGWSTDRCGXTMQ-OAQYLSRUSA-N 333.431 4.622 0 40 EJAB CCc1ccc(CC)c(CNC(=O)COc2ccc(C(C)C)cc2)c1 223754708 IPOOQVWCRMAXGR-UHFFFAOYSA-N 339.479 4.630 0 40 EJAB CCc1ccc([C@H](C)NC(=O)[C@@H](C)Sc2ccc(C)cc2)cc1 224239258 IUIWCRKYPLGMHH-JKSUJKDBSA-N 327.493 4.915 0 40 EJAB COc1ccc(C(=O)N[C@@H](c2ccccc2)c2cccc(C)c2)cc1F 225394602 FDKAOQYWIUPJPT-NRFANRHFSA-N 349.405 4.662 0 40 EJAB CCC[C@@H](C)NC(=O)c1cccc(OCc2ccccc2Cl)c1 225777580 BNDYNERZMGHULF-CQSZACIVSA-N 331.843 4.837 0 40 EJAB Cc1cc(C)c2oc(-c3ccc[n+](Cc4ccccc4F)c3)nc2c1 226307986 OWLBSCGFAFYIDZ-UHFFFAOYSA-N 333.386 4.587 0 40 EJAB Cc1cc(OCc2ccccc2)ccc1C(=O)C(F)(F)C(F)(F)F 575242894 VLNCYXJLNZWBGE-UHFFFAOYSA-N 344.279 4.954 0 40 EJAB O=C(CCSc1nc2ccccc2o1)Nc1ccccc1Cl 386107 JNAGOQMOGWXKLL-UHFFFAOYSA-N 332.812 4.602 0 40 EJAB Clc1c(CSc2nc3ccccc3s2)nc2sccn12 3185950 QDXNBJCCNRQEDF-UHFFFAOYSA-N 337.882 4.951 0 40 EJAB Cc1ccc(Cl)c(NC(=O)CN(C)C2CCCCC2)c1Cl 3332883 QYXWFZKPPNGHIK-UHFFFAOYSA-N 329.271 4.505 0 40 EJAB O=C(CSc1ccccc1F)Nc1nc(-c2ccccc2)cs1 3439734 RVWLWIVBKQJRKZ-UHFFFAOYSA-N 344.436 4.680 0 40 EJAB CC(C)(C)C(=O)Nc1ccc(O)c(-c2nc3ccccc3s2)c1 4071242 YNSUBNJKGLTLLL-UHFFFAOYSA-N 326.421 4.654 0 40 EJAB O=C(O)c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@H]1[C@@H](c1ccccc1F)N2 4151496 YEKIJPBPCQBBIK-CBBVRRJISA-N 337.394 4.820 0 40 EJAB CCSc1cccc(C(=O)Nc2nc(-c3ccccn3)cs2)c1 4304963 GOXRTEQSACWGHZ-UHFFFAOYSA-N 341.461 4.569 0 40 EJAB CCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccc(O)cc1 4567483 AXLXCETVFZNQRI-ZPHPHTNESA-N 330.840 4.828 0 40 EJAB C[C@@H](NC(=O)[C@@H](Sc1ccccc1)c1ccccc1)c1ccncc1 5226848 HTJGOCORNUANPJ-UZLBHIALSA-N 348.471 4.792 0 40 EJAB Clc1nc2ccccc2cc1CSc1ccc2c(c1)OCCO2 5262679 ABYNSWLHQPGURT-UHFFFAOYSA-N 343.835 4.952 0 40 EJAB CC(C)c1nc2sc3c(=S)nc[nH]c3c2c2c1COC(C)(C)C2 5822549 FPEAZVHHRYXVFK-UHFFFAOYSA-N 345.493 4.877 0 40 EJAB CC(C)Cc1cc2c(cc1O)CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H](O)CC[C@H]12 6256182 NFBYXABUAHVOLX-LLZYVPLJSA-N 328.496 4.808 0 40 EJAB Cc1ccccc1-n1c(=S)[nH]c2sc3c(c2c1=O)CC[C@H](C)C3 6537232 IPEMNOUKZICRTA-JTQLQIEISA-N 342.489 4.543 0 40 EJAB Cc1cccc(NC(=O)COc2ccc(Cl)c3cccnc23)c1C 7612324 ZTPWWRMNPYKKRB-UHFFFAOYSA-N 340.810 4.523 0 40 EJAB O=C(CC(c1ccccc1)c1ccccc1)Oc1ccc2c(c1)OCO2 7658781 OFMHFDPIVPJYCU-UHFFFAOYSA-N 346.382 4.543 0 40 EJAB C[C@H](NC(=O)c1cccc(C(F)(F)F)c1)c1cc2ccccc2o1 8062423 JWBDSUZMPKKDQY-NSHDSACASA-N 333.309 4.943 0 40 EJAB CC(C)CN1C(=O)CCc2cc(NC(=O)CCC3CCCC3)ccc21 9137425 XZDIAMAROJECFL-UHFFFAOYSA-N 342.483 4.531 0 40 EJAB O=C(NCCCCOc1ccccc1)c1cc(Cl)cc(Cl)c1 11079382 NAPUSVCTUDXWJZ-UHFFFAOYSA-N 338.234 4.582 0 40 EJAB C[C@@H](Nc1ncnc2ccsc12)c1nc2ccccc2n1C(F)F 12534970 NMXFBDNTXYNQHL-SECBINFHSA-N 345.378 4.609 0 40 EJAB C[C@H](C1CC1)N(C)C(=O)c1cn(Cc2ccccc2)c2ccccc12 12536534 PSUHPBHJRGSNHY-MRXNPFEDSA-N 332.447 4.560 0 40 EJAB O=C(c1ccc(C2SCCS2)cc1)N1CCCc2ccccc21 14197779 WCXZEBPCOBZXEG-UHFFFAOYSA-N 341.501 4.758 0 40 EJAB O=C(Cc1coc2cc3c(cc12)CCC3)Nc1cccc2cccnc12 14516784 MXBNHVYNZCHABO-UHFFFAOYSA-N 342.398 4.651 0 40 EJAB COc1ccc2c(c1CC=C(C)C)O[C@H](c1ccc(O)cc1O)CC2 14819208 OAUAVKGFNHNNGR-FQEVSTJZSA-N 340.419 4.681 0 40 EJAB endogenous,in-man Cc1ccc(C2N(Cc3ccccc3)CCN2Cc2ccccc2)o1 19300085 UXUAUANTZTWBCO-UHFFFAOYSA-N 332.447 4.605 0 40 EJAB COc1cc2ccccc2cc1C(=O)N[C@@H](C)c1cc(C)ccc1C 19932578 UKYCSHGYYYQYML-INIZCTEOSA-N 333.431 4.956 0 40 EJAB CCc1ccc(C(=O)NC(=S)Nc2ccc([C@@H](C)CC)cc2)cc1 21596399 YZGPWQNXCSWWSN-AWEZNQCLSA-N 340.492 4.889 0 40 EJAB CCOc1ccc(C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1C 22538097 RNEFPGGSLKUSKL-KRWDZBQOSA-N 325.452 4.810 0 40 EJAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCCCc1ccc(Cl)cc1 30867323 PGURTZZJTGIBIB-LJQANCHMSA-N 345.870 4.555 0 40 EJAB CCCc1ccccc1NC(=O)C[C@@H]1c2ccccc2C=CN1C(C)=O 32051716 MOVVCNMNRZWJJB-OAQYLSRUSA-N 348.446 4.542 0 40 EJAB O=C(COCc1ccccc1)c1cccc(OCc2ccccc2)c1 34419950 SBDVPGZRNBQPSR-UHFFFAOYSA-N 332.399 4.665 0 40 EJAB CCOc1cc(C(=O)N[C@@H](CC(C)C)c2cccs2)ccc1OC 40157314 ZIJSJWSJXYIANC-HNNXBMFYSA-N 347.480 4.673 0 40 EJAB CN(C(=O)c1cccc2[nH]ncc12)c1ccc(Oc2ccccc2)cc1 58298684 HOHGIWUJAYQLGQ-UHFFFAOYSA-N 343.386 4.632 0 40 EJAB FC(F)(F)c1ccc(C=C(Br)Br)cc1 59188429 NFJYBKRDNVHCEX-UHFFFAOYSA-N 329.941 4.794 0 40 EJAB CCN(CC)C(=O)c1cccc(-c2nc3ccc(F)cc3s2)c1 59843060 NSYAICVAXLYALN-UHFFFAOYSA-N 328.412 4.584 0 40 EJAB O=C(CCN1c2ccccc2Sc2ccccc21)NC1CCCC1 68814605 LBCGGOVBWLPRAM-UHFFFAOYSA-N 338.476 4.738 0 40 EJAB CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCCCN2)cn1)C1CCCC1 72215574 AWYAJPGLBAXHPW-KRWDZBQOSA-N 345.487 4.580 0 40 EJAB Cc1cc(Nc2cccc(C(=O)O)c2)c2cc(Cl)cc(C)c2n1 78401671 TWHXNBWZDZFZIX-UHFFFAOYSA-N 326.783 4.947 0 40 EJAB O=C(NCCC1=CCCCC1)c1cccc2c1-c1ccccc1C2=O 96191929 QGWWDLUAXPYZAO-UHFFFAOYSA-N 331.415 4.518 0 40 EJAB O=C(CCc1ccc(Cl)cc1)N1CCC(Cc2ccccc2)CC1 96621954 KRZQNIBUTZAPCH-UHFFFAOYSA-N 341.882 4.754 0 40 EJAB CC(C)Oc1cccc(CNC(=O)CSc2ccc(Cl)cc2)c1 113935118 NPBDCDMQSILHPL-UHFFFAOYSA-N 349.883 4.536 0 40 EJAB CC1(C)C[C@@H](NC(=O)c2ccc(Cl)cc2F)c2ccccc2O1 222843191 RISUDHCYSPZKBH-OAHLLOKOSA-N 333.790 4.511 0 40 EJAB C[C@H](Sc1ccccc1)C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 223153436 KLLZFSHNCANXHJ-GJZGRUSLSA-N 325.477 4.533 0 40 EJAB O=C(NCCOc1cccc2ccccc12)c1ccc2c(c1)CCCC2 223579191 TXNJUYYPRAFDKT-UHFFFAOYSA-N 345.442 4.527 0 40 EJAB CCOC(=O)c1ccc2[nH]c(-c3ccc(Cl)cc3Cl)nc2c1 226235955 NQBRUDLYRBEWMD-UHFFFAOYSA-N 335.190 4.713 0 40 EJAB CC[C@H](C)c1ccccc1NC(=O)c1ccc(Br)c(N)c1 226265145 RYJGPKKAHRYDFJ-NSHDSACASA-N 347.256 4.797 0 40 EJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3c[nH]c4ccccc34)N21 260759128 FCBSMHWFVVWWEC-ZNOIYHFQSA-N 348.475 4.542 0 40 EJAB C[C@@H](CCc1ccccc1)NC(=O)CSCc1ccccc1Cl 408575728 PYYIVALUQWRJGY-HNNXBMFYSA-N 347.911 4.711 0 40 EJAB CN(C(=O)c1ccc(NCc2ccccc2F)cc1)C1CCCCC1 556616855 TWNIEMRHPNPKFZ-UHFFFAOYSA-N 340.442 4.843 0 40 EJAB FC(F)(F)c1ccc2c(cnn2[C@H]2CCCCO2)c1Br 575631080 RYXRJVPOPIYYCM-LLVKDONJSA-N 349.150 4.517 0 40 EJAB O=c1cc(-c2cc3ccccc3o2)oc2ccc(Br)cc12 178216 JUOFJHDSFXVAAY-UHFFFAOYSA-N 341.160 4.969 0 40 EJAB biogenic O=C(Nc1ccc2ccccc2c1)c1cc(F)c(Cl)nc1Cl 385091 HYTJQJXAKNACLW-UHFFFAOYSA-N 335.165 4.933 0 40 EJAB Cc1cc(C)c(S(=O)(=O)c2ccccc2C)c(SCC(C)C)n1 1401754 DXOPCXSPHMSDSY-UHFFFAOYSA-N 349.521 4.588 0 40 EJAB O=C(c1ccc(-c2nc3ccccc3s2)s1)N1CCCCC1 3361282 ZVACWHREJAIXQV-UHFFFAOYSA-N 328.462 4.651 0 40 EJAB FC(F)(F)c1cccc([C@H](OCCN2CCCC2)c2ccccc2)c1 3640549 OXZBMTDAPMORBJ-LJQANCHMSA-N 349.396 4.907 0 40 EJAB c1csc(-c2nc(CSc3ncnc4ccccc34)co2)c1 8188868 UCTIQPJHHIQQAN-UHFFFAOYSA-N 325.418 4.639 0 40 EJAB Brc1cccc([C@@H]2SCc3nc4ccccc4n32)c1 12942566 WMEXLDJBKXUZPX-HNNXBMFYSA-N 331.238 4.593 0 40 EJAB C[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(F)c(F)c1 13709356 WODQNTOXNLDWQT-GFCCVEGCSA-N 327.330 4.524 0 40 EJAB O=C(NCC(c1ccccc1)c1ccccc1)c1cc2ccccc2o1 15789150 OJGIMNAEQCHZJG-UHFFFAOYSA-N 341.410 4.995 0 40 EJAB Cc1cc(O[C@@H](C)C(=O)Nc2cccc3cccnc23)ccc1Cl 15835418 IZEJJMYYJCUFHB-ZDUSSCGKSA-N 340.810 4.603 0 40 EJAB CCCCc1ccc(C(=O)Nc2cc(OC)c(OC)cc2C)cc1 15857330 YMOATDHUPJQBSC-UHFFFAOYSA-N 327.424 4.607 0 40 EJAB COc1ccc2nccc(/C=C\c3ccnc4ccc(OC)cc34)c2c1 16892486 OLBILFPLIQNULT-ARJAWSKDSA-N 342.398 4.971 0 40 EJAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(OC(C)C)cc1 20493096 MLALKKLVMLIHAY-LJQANCHMSA-N 341.451 4.887 0 40 EJAB Cc1ccc(-c2nc(N3C[C@@H](C)C[C@H](C)C3)nc3c2CCCC3)cc1 20798170 GKDSUAQWUPLPCC-IRXDYDNUSA-N 335.495 4.813 0 40 EJAB C[C@@]1(C(=O)Nc2ccccc2-c2cccs2)CC1(Cl)Cl 22192127 UBILVSGAFUDYBA-AWEZNQCLSA-N 326.248 4.938 0 40 EJAB COc1ccc(Cl)cc1NC(=O)c1ccccc1SC(F)F 23055062 CYMVTTSNQPHAGJ-UHFFFAOYSA-N 343.782 4.916 0 40 EJAB Cc1nc(NC(=O)c2ccc(Cl)cc2)sc1Cc1ccccc1 36639312 OYKKTGUZYUWXBV-UHFFFAOYSA-N 342.851 4.948 0 40 EJAB COc1cc(C(=O)OCc2ccccc2)ccc1OCc1ccccc1 44560077 GVQOQZKAFPIVHI-UHFFFAOYSA-N 348.398 4.631 0 40 EJAB CCSc1ccccc1NC(=O)CSCc1ccc(OC)cc1 44900227 XKKJGKWXMPXZJT-UHFFFAOYSA-N 347.505 4.679 0 40 EJAB O=C(N[C@@H]1CCOc2ccccc21)c1ccc(-c2ccccc2)cc1F 48289516 RSVCBHMAYHGGGD-HXUWFJFHSA-N 347.389 4.746 0 40 EJAB Cc1cccc(C)c1OCCNC(=O)Nc1cccc2ccccc12 59461522 DORZNVQUJPUXBD-UHFFFAOYSA-N 334.419 4.657 0 40 EJAB Cc1cccc(C)c1NC(=O)N1CCO[C@@H](c2ccccc2Cl)C1 69492754 RCXFORZGERXGSW-QGZVFWFLSA-N 344.842 4.562 0 40 EJAB CC[C@@H](C)Nc1ncccc1[C@@H]1CCCCN1C(=O)c1ccccc1 72213457 NQWMDAWPOCWPBD-APWZRJJASA-N 337.467 4.659 0 40 EJAB O=C(CC/C=C/c1ccccc1)N(Cc1ccccc1)CC(F)F 72303524 RBIGKJPSQYHDSU-YRNVUSSQSA-N 329.390 4.774 0 40 EJAB Cc1nn(C(C)C)c(C)c1NC(=O)c1ccc2ccc(Cl)cc2n1 84008395 ZTLXZFPTSYZQTC-UHFFFAOYSA-N 342.830 4.535 0 40 EJAB CO[C@H]1CC2(CCN(Cc3ccc(C)o3)CC2)c2ccc(C)cc21 96100191 APQLROJBCAPUMI-FQEVSTJZSA-N 325.452 4.521 0 40 EJAB Cc1c(Cl)cccc1NC(=O)COc1ccc2c(c1)CCCC2 96586342 NXOJCSIJBAATDG-UHFFFAOYSA-N 329.827 4.545 0 40 EJAB Cc1c(C(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)oc2c(Cl)cccc12 108914183 VJCZSCBJRSKIRM-OSFYFWSMSA-N 331.843 4.949 0 40 EJAB COC(=O)c1cc(Cl)c(OCc2ccc(C)cc2)c(Cl)c1 216847783 VLVYAVNCUAQANB-UHFFFAOYSA-N 325.191 4.667 0 40 EJAB CC[C@H](NC(=O)[C@H](C)Oc1cccc(Cl)c1)c1ccc(C)c(C)c1 219292752 HNZZHSRLJKWUOZ-KXBFYZLASA-N 345.870 4.992 0 40 EJAB CC[C@@H](NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1)c1ccc(C)cc1C 219551084 DLRFWFBEQHFFEJ-WIYYLYMNSA-N 339.479 4.955 0 40 EJAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccccc1F)c1ccc(C)c(C)c1 219582321 NFPWYHUYJUPVIF-RBUKOAKNSA-N 343.442 4.867 0 40 EJAB CCc1ccc(CC)c(CNC(=O)CSCc2ccccc2F)c1 223327275 MQTGMEOKTLLDKZ-UHFFFAOYSA-N 345.483 4.500 0 40 EJAB Cc1ccc(C)c(NC(=S)NCCSCc2ccccc2C)c1 225359834 DXKBRDXQQDSJEZ-UHFFFAOYSA-N 344.549 4.832 0 40 EJAB CCCCCNC(=S)Nc1ccc(Br)c(Cl)c1 225378242 FHXDWDPSQJJLIE-UHFFFAOYSA-N 335.698 4.579 0 40 EJAB CC1(C)C[C@H](NC(=S)Nc2ccc(F)c(F)c2)c2ccccc2O1 225577506 ZXSAWAFIRUGKDB-HNNXBMFYSA-N 348.418 4.554 0 40 EJAB CCOc1ccc(NC(=O)c2cc3c([nH]c4ccccc43)c(C)n2)cc1 5686494 XZGKIIMJDMYJIB-UHFFFAOYSA-N 345.402 4.676 0 40 EJAB CCCCNCc1cccc(OC)c1OCc1ccc(Cl)cc1 7261731 SHEZAPODFDGLRW-UHFFFAOYSA-N 333.859 4.817 0 40 EJAB COc1ccccc1NC(=O)CCc1ccc(-c2ccc(C)cc2)o1 9970563 CDWXZKKWOJYXTB-UHFFFAOYSA-N 335.403 4.835 0 40 EJAB O=C(Nc1ccccc1Cl)c1cc(C2CC2)nn1-c1ccccc1 12897140 FZQQCFRBENPTDP-UHFFFAOYSA-N 337.810 4.655 0 40 EJAB O=C(Nc1ccccc1)c1cc2ccccc2o/c1=N\c1ccccc1 13764838 WLQVBVUOYVGFIR-GYHWCHFESA-N 340.382 4.918 0 40 EJAB O=C(COC(=O)c1cc2cc(F)ccc2s1)c1ccc(Cl)cc1 14184241 BJZTXVULWSCGJH-UHFFFAOYSA-N 348.782 4.734 0 40 EJAB Cc1ccc(C)c([C@H](C)NC(=O)CCc2nc3ccccc3s2)c1 14201685 KGKGSCOHMWCYQX-HNNXBMFYSA-N 338.476 4.723 0 40 EJAB COc1cccc2sc(NC(=O)c3cc4ccccc4s3)nc12 23299694 LTMLHZPFVDVWBU-UHFFFAOYSA-N 340.429 4.772 0 40 EJAB c1ccc(CCCSc2nnc3sc4ccccc4n23)cc1 23560521 QXMNESYEMOIYBJ-UHFFFAOYSA-N 325.462 4.669 0 40 EJAB CC(=O)c1cccc(NC(=O)C2(c3cccc(Cl)c3)CCC2)c1 24590042 CYYDPAZERQWDSP-UHFFFAOYSA-N 327.811 4.603 0 40 EJAB CCN(C(=O)c1sc(-c2ccc(C)o2)nc1C)c1ccccc1C 33165756 FUODZYYTUHRXIJ-UHFFFAOYSA-N 340.448 4.995 0 40 EJAB O=C(Nc1cccs1)Nc1ccccc1NC(=O)c1cccs1 38678872 JRBZKHXWUHDRAI-UHFFFAOYSA-N 343.433 4.706 0 40 EJAB C[C@H](Nc1ccc2oc(C3CC3)nc2c1)c1nnc(-c2ccccc2)o1 65593079 WTHUSQVFNVZQQV-LBPRGKRZSA-N 346.390 4.928 0 40 EJAB CC(C)CC(=O)Nc1ccc(-c2nc3cc(Cl)ccc3o2)c(O)c1 70462065 KUBCGYVPRUSWCO-UHFFFAOYSA-N 344.798 4.838 0 40 EJAB CCCN1C(=O)c2ccc(Cl)cc2N[C@H]1c1csc(C(C)C)n1 95953939 SZCWOUNMYFZFCK-OAHLLOKOSA-N 349.887 4.896 0 40 EJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(OC(C)C)cc1 216470822 CZXYSVWJQITCAK-SFHVURJKSA-N 347.842 4.923 0 40 EJAB Cc1ccc(SCCNC(=O)CCc2cccc3ccccc23)cc1 222660498 NPEZRMHSVUKGJD-UHFFFAOYSA-N 349.499 4.989 0 40 EJAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(OC)cc1 222907259 BJBWOCVDOJWWBN-IBGZPJMESA-N 341.451 4.789 0 40 EJAB O=C(COc1cccc2cccnc12)Nc1c(Cl)cccc1Cl 223135677 OTXYDGGPODEHPA-UHFFFAOYSA-N 347.201 4.559 0 40 EJAB C[C@H](Oc1ccc2ccccc2c1)C(=O)NC(C)(C)CC(C)(C)C 224283747 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CC(C)CC[C@H](C)NC(=O)c1ccccc1OCc1ccc(F)cc1 6869611 YAHBOXYJTLIOOF-INIZCTEOSA-N 343.442 4.959 0 40 EJAB COc1ccc(C(C)(C)C)cc1NC(=O)c1c(C)noc1C(C)C 7278107 HPJUWOSQWNGGMT-UHFFFAOYSA-N 330.428 4.665 0 40 EJAB CSc1cccc(NC(=O)c2ccc(N3CCCCC3)cc2)c1 7504950 JGVADVDZVUHPHX-UHFFFAOYSA-N 326.465 4.651 0 40 EJAB Cc1cc(C)c(NC(=O)CCOc2cc(C)ccc2C)c(Cl)c1 7981327 JHQVVIHETIWHPT-UHFFFAOYSA-N 331.843 4.981 0 40 EJAB O=C(CC1CCCC1)Nc1ccc(-c2cn3ccsc3n2)cc1 8280179 RHHNGSUYGFGPFV-UHFFFAOYSA-N 325.437 4.582 0 40 EJAB O=C(Nc1cccc(Cl)c1)N1CCC(OCc2ccccc2)CC1 9479439 RDFWUYMZVJFMDP-UHFFFAOYSA-N 344.842 4.553 0 40 EJAB CCC[C@H](O)c1nc2ccccc2n1CCOc1ccc(CC)cc1 11692497 HXUFBTANPMZPGG-FQEVSTJZSA-N 338.451 4.511 0 40 EJAB Nc1nc(CSc2c(Cl)cccc2Cl)nc2ccccc12 12595419 OPDULHLBBNBJNO-UHFFFAOYSA-N 336.247 4.811 0 40 EJAB O=C(Nc1cccc(F)c1)c1cc(-c2ccco2)nn1-c1ccccc1 12817535 QDRRLYHDLYWCDT-UHFFFAOYSA-N 347.349 4.524 0 40 EJAB Cc1ccc(O[C@H](C)C(=O)N[C@H](C)c2cccc3ccccc23)cc1 13018909 PASRMZPSOAHIPC-IAGOWNOFSA-N 333.431 4.793 0 40 EJAB COc1cc(C(=O)Oc2c(C)cccc2C)cc(Cl)c1OC(C)C 13042154 WJQWWHXNRAPPIQ-UHFFFAOYSA-N 348.826 4.972 0 40 EJAB Fc1ccc(NC(=S)NCc2ccc(Cl)cc2)cc1Cl 13792316 WPTYQLAGDYLHBN-UHFFFAOYSA-N 329.227 4.619 0 40 EJAB CC(C)C(=O)Nc1ccc(-c2csc(-c3ccc(O)cc3)n2)cc1 14229100 FNMQDXWDSOPVNA-UHFFFAOYSA-N 338.432 4.777 0 40 EJAB O=C(Nc1ccc(C(F)(F)F)cc1Cl)C(Cl)(Cl)Cl 14258362 SSKPGMGDHVLMKY-UHFFFAOYSA-N 340.943 4.668 0 40 EJAB Cc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2)c(C)c1 20460747 BOWCZYDSAZQTRE-GJZGRUSLSA-N 331.843 4.602 0 40 EJAB COc1ccc([C@@H](CC(C)C)NC(=O)/C=C/c2ccc(F)cc2)cc1 20485708 RPTIARVNAWZTFO-QARGNGGGSA-N 341.426 4.751 0 40 EJAB CC(C)C[C@@H](NC(=O)CSCc1ccc(F)cc1)c1ccccc1 22522040 QPKKFIDWIDGVQU-LJQANCHMSA-N 345.483 4.963 0 40 EJAB CCc1ccccc1NC(=O)c1ccc(-n2cnc3ccccc32)cc1 30033423 SYIDHZGALRIHAN-UHFFFAOYSA-N 341.414 4.840 0 40 EJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H](C)CCc1ccccc1 30849029 XPGVYYBZELJCDL-NQIIRXRSSA-N 339.479 4.598 0 40 EJAB CC1(C)C[C@H](NCC[C@](C)(c2ccc(Cl)cc2)C2CC2)CCO1 32072506 AEIBINHEKNGXPF-QUCCMNQESA-N 335.919 4.945 0 40 EJAB O=C(NC1CCCCC1)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1 32908058 MLOMALNKIMMNEW-HZPDHXFCSA-N 340.492 4.795 0 40 EJAB CC(=O)Nc1ccc(NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)cc1 33601697 ICIJHKIKZJBYMF-UHFFFAOYSA-N 348.402 4.774 0 40 EJAB O=C(CCc1ccc(Cl)cc1Cl)Nc1ccc(Cl)cn1 37170420 CHPWRBGGDYGTDB-UHFFFAOYSA-N 329.614 4.613 0 40 EJAB CCN(C(=O)c1ccc(Br)cc1F)c1cccc(C)c1 40217791 LPXADTIVAVSAJT-UHFFFAOYSA-N 336.204 4.563 0 40 EJAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(F)c(Cl)c1 44842254 ALDFNJYFFYUOOG-MRXNPFEDSA-N 335.806 4.892 0 40 EJAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)c(C)c1 64982991 NXOAZZKZXUBAIK-ZDUSSCGKSA-N 337.341 4.728 0 40 EJAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](OC(=O)COc1ccc3ccccc3c1)C2 101559945 LDBLTMDNXJRMLC-KPLVRAHFSA-N 338.447 4.977 0 40 EJAB Cc1cccc(C)c1Oc1ccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 102518165 SCIWZTPUEVRHNT-RTBURBONSA-N 349.430 4.775 0 40 EJAB C[C@@H]1C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(C)O)[C@@H]3[C@H](C)C[C@@H]2CC1=O 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Cc1ccc2c(CC(=O)Nc3ccc(OC(F)F)cc3)coc2c1 3524995 BKKJQBOAVPCISI-UHFFFAOYSA-N 331.318 4.524 0 40 EJAB CCC(=O)N1c2ccc(Cl)cc2[C@H]2OCC[C@@H]2[C@@H]1c1ccco1 4555185 DKDKVIPKAZQOEX-PJSAGSTRSA-N 331.799 4.509 0 40 EJAB CC(C)c1ccc(C(=O)CSc2nc(-c3ccccc3)n[nH]2)cc1 5522900 JJQMEZSXRZXDMZ-UHFFFAOYSA-N 337.448 4.570 0 40 EJAB Cc1ccccc1-c1cc(C(=O)Nc2cccnc2)c2ccccc2n1 5936177 IEWCNSXAUVBWOT-UHFFFAOYSA-N 339.398 4.858 0 40 EJAB Cc1ccc2nc(SCC(=O)c3cccc4ccccc34)[nH]c2c1 6187976 PNUGPBJXNHCLNV-UHFFFAOYSA-N 332.428 5.000 0 40 EJAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)c1 8499446 DBUYBVORYAPHIX-ZDUSSCGKSA-N 337.341 4.728 0 40 EJAB Cc1ccccc1NCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 8715531 YUCWYUZBQYEUMT-UHFFFAOYSA-N 347.443 4.572 0 40 EJAB CCOc1ccc(C(=O)Nc2cccc3ccc(C)nc23)cc1Cl 9426113 UPUDBXRNQBJOTH-UHFFFAOYSA-N 340.810 4.848 0 40 EJAB CSCc1c(C(=O)N[C@@H](C)c2cccs2)oc2ccccc12 9995978 SEIGFRMFJOCMCF-NSHDSACASA-N 331.462 4.848 0 40 EJAB O=C(CCc1ccc2c(c1)OCO2)Nc1ccccc1-c1ccccc1 10412023 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O=C(Nc1cccc(Br)c1)Nc1cccc(Cl)c1F 51354355 URVYCBUMKGXTJD-UHFFFAOYSA-N 343.583 4.886 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2cccc(C)c2C)cc1C 59351230 DGWGOSBHPFXGSE-MSOLQXFVSA-N 325.452 4.565 0 40 EJAB C[C@H](CNC(=O)C1(c2ccc(Cl)cc2)CCC1)c1ccccc1 69295579 ZBAFJIPZLPLIJS-OAHLLOKOSA-N 327.855 4.682 0 40 EJAB Cc1cc(Nc2nc3ccccc3nc2Cl)n(-c2ccccc2)n1 88604381 IJAMBXTZXRKPNS-UHFFFAOYSA-N 335.798 4.521 0 40 EJAB O=C1CC(c2ccccc2)CC(=O)C1Sc1ccc(Cl)cc1 100584220 ZOFGRWIFFHMFBP-UHFFFAOYSA-N 330.836 4.517 0 40 EJAB Cc1ccc([C@@H]2C=C(c3ccc(C(C)C)cc3)Nc3ncnn32)cc1 102048072 KHQUHSQHNPDFQA-FQEVSTJZSA-N 330.435 4.766 0 40 EJAB COc1ccc(CNC(=O)c2cc3c(ccc4ccccc43)o2)cc1 113941406 SHHZKBLCIIGWRW-UHFFFAOYSA-N 331.371 4.525 0 40 EJAB Cc1ccc(CCCNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1 219025213 POKXBZDCCMPCJB-GOSISDBHSA-N 347.458 4.665 0 40 EJAB Cc1ccc(CCC(=O)NCCSCc2ccccc2C)cc1C 223700083 NYEQICWWWWEBSD-UHFFFAOYSA-N 341.520 4.594 0 40 EJAB c1ccc(-c2n(-c3ccccc3)c3ccccc3[n+]2-c2ccccn2)cc1 223812751 LAHBMYVOMXWNOJ-UHFFFAOYSA-N 348.429 4.969 0 40 EJAB Cc1c(Cl)cccc1NC(=O)[C@H](C)Oc1cccc2c1CCCC2 224026294 DGHRVYMDSRLPBH-AWEZNQCLSA-N 343.854 4.933 0 40 EJAB CC(C)Oc1cccc(CCCNC(=S)Nc2ccc(F)cc2)c1 225564753 VOHIGRYMTMSPLO-UHFFFAOYSA-N 346.471 4.532 0 40 EJAB CCCO[C@](C)(C(=O)Nc1ccc(O[C@@H](C)CC)c(C)c1)C1CC1 225673571 WKVIPSOZPWCXHQ-YWZLYKJASA-N 333.472 4.706 0 40 EJAB CCCc1cc(=O)oc2cc(C)cc(OCc3ccccc3OC)c12 488639 NHDZDOQNHNNGKW-UHFFFAOYSA-N 338.403 4.642 0 40 EJAB biogenic CC(C)CC(=O)Nc1c(C(=O)Nc2ccccc2)oc2ccccc12 4148154 AUUHDODLUSHCAH-UHFFFAOYSA-N 336.391 4.670 0 40 EJAB CCC(=O)Nc1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1 4195761 XMGZONDKIJGESA-UHFFFAOYSA-N 337.206 4.594 0 40 EJAB Cc1cc2ccccc2n1CC(=O)Nc1cccc(C(F)(F)F)c1 4711053 ARESXJSKIOBVCT-UHFFFAOYSA-N 332.325 4.607 0 40 EJAB CC1(C)CC(=O)c2sc(NC(=O)CCC3CCCCC3)nc2C1 6308722 MDZXORYXLGOIQR-UHFFFAOYSA-N 334.485 4.597 0 40 EJAB COc1ccc(Cl)cc1NC(=O)c1cc2c(s1)CC[C@H](C)C2 6784490 CTZRMHXMWJHZQW-JTQLQIEISA-N 335.856 4.787 0 40 EJAB COc1ccccc1[C@@H]1Nc2c(C)ccc(C(=O)O)c2[C@H]2C=CC[C@@H]21 6965781 QBCIAKXOAHUEAB-PJSUUKDQSA-N 335.403 4.528 0 40 EJAB COc1ccccc1[C@@H]1Nc2c(C)ccc(C(=O)O)c2[C@H]2C=CC[C@H]21 6965824 QBCIAKXOAHUEAB-LRDNONRASA-N 335.403 4.528 0 40 EJAB Cc1ccc(/N=C/c2cc(C)n(-c3ccccc3C(=O)O)c2C)cc1 6965948 QZFBFECIWNLRDJ-LPYMAVHISA-N 332.403 4.851 0 40 EJAB CCC(CC)NC(=O)c1ccc(COc2ccc(Cl)cc2)cc1 7004023 REZLKZPJHSAIGQ-UHFFFAOYSA-N 331.843 4.837 0 40 EJAB O=C(Nc1nc2c(ccc3ccccc32)s1)c1cc(F)cc(F)c1 7670798 ALTFFCPAYWTSMU-UHFFFAOYSA-N 340.354 4.980 0 40 EJAB Cc1cccc(Nc2ncc3c(n2)C[C@H](c2cccs2)CC3=O)c1 9935785 NAIRHNPLRHDCJU-ZDUSSCGKSA-N 335.432 4.503 0 40 EJAB O=C(Nc1ccc2ccccc2c1)C1=C(c2ccccc2)SCCO1 12323514 SOZJYCXVMJISDS-UHFFFAOYSA-N 347.439 4.911 0 40 EJAB CCOC(=O)c1sc(/C=C/c2cccnc2)nc1-c1ccccc1 12526741 ORIZYHBVSCJMRT-ZHACJKMWSA-N 336.416 4.552 0 40 EJAB CC(C)[C@@H](NC(=O)C1CCOCC1)c1ccc(C2CCCCC2)cc1 19311674 SXMXQLFYFARHJK-OAQYLSRUSA-N 343.511 4.974 0 40 EJAB O=C(CSCc1ccccc1F)Nc1cccc(C(F)(F)F)c1 23410816 NHYPJTLVTWJIRK-UHFFFAOYSA-N 343.345 4.716 0 40 EJAB CCOc1ccc(OCC)c(NC(=O)c2c(F)cccc2Cl)c1 24041285 MBVVQLJQJMEMNR-UHFFFAOYSA-N 337.778 4.529 0 40 EJAB CCCCn1c(S[C@H](C)c2nc(-c3ccco3)no2)nc(C)c1C 32809272 HHDWVDXKMFMTIR-CYBMUJFWSA-N 346.456 4.796 0 40 EJAB CCc1cc(N)cc(C)c1NC(=O)c1cc2ccccc2cc1OC 45889113 KKQTUDNZELNYKM-UHFFFAOYSA-N 334.419 4.554 0 40 EJAB CCCc1noc([C@@H](C)Nc2ccc(-c3csc(C)n3)cc2)n1 46814977 YXSQCJOMKGXLOP-LLVKDONJSA-N 328.441 4.627 0 40 EJAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccccc3C(C)C)cc2)n1 61109751 KKVTUGNUQZRPBA-UHFFFAOYSA-N 347.462 4.924 0 40 EJAB OC1=Nc2c(cnn2C2CCCC2)[C@H](c2ccc(F)c(Cl)c2)C1 71281959 HFDSYZKIYVZXLO-LBPRGKRZSA-N 333.794 4.914 0 40 EJAB Cc1cccc([C@@H]2CCCCCN2C(=O)CCc2c(C)noc2C)c1 71910505 KKUDYCSLMFDSLF-FQEVSTJZSA-N 340.467 4.676 0 40 EJAB CO[C@@H](C)c1cccc(NC(=O)N(C2CC2)[C@@H](C)c2ccco2)c1 84656146 OPQVVJGNOQXUGM-KBPBESRZSA-N 328.412 4.745 0 40 EJAB CCOc1cc(C=O)c(Br)cc1OCc1ccccc1C 95094990 QWYITTMLSRWMAC-UHFFFAOYSA-N 349.224 4.548 0 40 EJAB CC[C@@H](NC(=O)c1ccccc1OC(C)C)c1ccc(OC)c(C)c1 223411382 YUOFHICLAWRZOO-GOSISDBHSA-N 341.451 4.672 0 40 EJAB CCOc1ccc(C(=O)NC(C)(C)C)cc1CSc1ccccc1 224648982 SGHDSIPOAIBLJM-UHFFFAOYSA-N 343.492 4.906 0 40 EJAB CCCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OCCC)cc1C 225735738 MBCYXEYOLLPHPR-HXUWFJFHSA-N 335.488 4.954 0 40 EJAB O=C(NCc1ccnc(-c2cccs2)c1)Nc1ccccc1Cl 238973333 ZPNFLQYOTMCRCF-UHFFFAOYSA-N 343.839 4.785 0 40 EJAB O=C(Cc1cccc2ccccc12)NCc1ccc(-c2ccoc2)o1 585148296 XBUGKGCLJVDUEH-UHFFFAOYSA-N 331.371 4.552 0 40 EJAB Cc1ccc(Oc2ccc(F)cc2OCCN2CCCCC2)cc1 585265691 YCAJLNABBYTCRS-UHFFFAOYSA-N 329.415 4.791 0 40 EJAB CCOC(=O)c1c(C)n(-c2ccc(Cl)cc2)c2ccc(OC)cc12 181313 ZGFWNVLKIZVETF-UHFFFAOYSA-N 343.810 4.778 0 40 EJAB CCOc1ccc(-n2c(C)c(C(C)=O)c3cc(OCC)ccc32)cc1 521395 RNMCVHZTZNLHLO-UHFFFAOYSA-N 337.419 4.939 0 40 EJAB COc1cc2c(C(=O)O)cc(-c3ccc(Cl)cc3)nc2cc1Cl 1703601 KLRYUXPAYZVISO-UHFFFAOYSA-N 348.185 4.915 0 40 EJAB CCCc1ccc(OCCCC(=O)N[C@@H](C)c2ccccc2)cc1 1787216 HLEPYQGYLCCFQF-KRWDZBQOSA-N 325.452 4.676 0 40 EJAB Cc1ccc(C(=O)Nc2ccccc2OCC(F)(F)C(F)F)cc1 4387239 MGFNLRRZAYINGZ-UHFFFAOYSA-N 341.304 4.527 0 40 EJAB O=C(NC(=O)c1c(F)cccc1Cl)Nc1cccc2ccccc12 5605006 PSTPYAANTYJDMX-UHFFFAOYSA-N 342.757 4.594 0 40 EJAB CCSc1nnc(NC(=O)c2ccccc2-c2ccccc2)s1 6168117 WOJWTSBSXUGVOZ-UHFFFAOYSA-N 341.461 4.569 0 40 EJAB CCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(OC)cc1 6870037 ZEKAALYVKFSXQG-UHFFFAOYSA-N 344.418 4.528 0 40 EJAB CN(CC(=O)Nc1ccccc1Oc1ccccc1)c1ccccc1 7589565 ICJXIJNABIZYJH-UHFFFAOYSA-N 332.403 4.554 0 40 EJAB O=C(CCc1cccs1)Nc1cccc(/C=C/c2ccccn2)c1 7734637 ONXAPECYNQRJQK-MDZDMXLPSA-N 334.444 4.885 0 40 EJAB C[C@H]1CCCCN1c1ccc(NC(=O)c2ccccc2Cl)cc1 9064444 FPAZAMFMNPTPEL-AWEZNQCLSA-N 328.843 4.971 0 40 EJAB O=C(Nc1ccc2ccccc2c1)c1ccc(CN2CCCC2)cc1 10336940 SVRSQVAJTVAISS-UHFFFAOYSA-N 330.431 4.688 0 40 EJAB C[C@@H](c1nc2cc(Cl)ccc2n1Cc1ccccc1)N1CCCC1 12520391 CUFMAJNGORLFDW-HNNXBMFYSA-N 339.870 4.895 0 40 EJAB O=C(Cc1ccc(Cl)cc1Cl)Nc1cccc2cccnc12 12790059 AGSSYBHFDCXLIR-UHFFFAOYSA-N 331.202 4.723 0 40 EJAB O=C(Cc1c(F)cccc1Cl)Nc1ccccc1SC(F)F 12790930 TYAYXRJJERKWEY-UHFFFAOYSA-N 345.773 4.975 0 40 EJAB Cc1ccc(NC(=O)c2sc(-c3ccsc3)nc2C)c(F)c1 12946192 ZCIDNPAPGDFQHW-UHFFFAOYSA-N 332.425 4.880 0 40 EJAB COc1ccc(NC(=O)c2ccccc2OC)cc1Cc1ccccc1 12998353 BKOGCBJOZSYSBX-UHFFFAOYSA-N 347.414 4.547 0 40 EJAB CN(CC(=O)Nc1cccc(Cl)c1)Cc1ccc(C(C)(C)C)cc1 13058096 TVEXACOOCQHPOS-UHFFFAOYSA-N 344.886 4.708 0 40 EJAB c1ccc(-c2noc(-c3cc(-c4ccc5ccccc5c4)n[nH]3)n2)cc1 15732371 LIDULJDIENWPCG-UHFFFAOYSA-N 338.370 4.947 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2cccc3ccccc23)cc1 20039974 WKWJLMSFLDHEPU-IAGOWNOFSA-N 333.431 4.793 0 40 EJAB O=C([C@@H]1Cc2ccccc2S1)N(Cc1ccccc1)c1ccccc1 24955680 YLRSRRZMDDXKSN-NRFANRHFSA-N 345.467 4.937 0 40 EJAB C[C@H](NC(=O)Cc1c[nH]c2ccccc12)c1ccc(C(F)(F)F)cc1 29238750 COAAUCFNODYPJZ-LBPRGKRZSA-N 346.352 4.607 0 40 EJAB CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccc(N3CCCC3)cc2C)C1(C)C 32843272 OKMMAIJJXOPUCS-IEBWSBKVSA-N 326.484 4.772 0 40 EJAB CC(=O)c1cn(CCC(=O)N[C@@H](C)CCCC(C)C)c2ccccc12 40309528 RDYAAEDQCOASAG-INIZCTEOSA-N 342.483 4.565 0 40 EJAB biogenic C[C@H](NC(=O)c1cc(-c2cccc3ccccc23)[nH]n1)c1ccccc1 44839311 WDBGIHNBRLVZRE-HNNXBMFYSA-N 341.414 4.721 0 40 EJAB C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)Cc1cccs1 45262425 OYJMAGKEENTIDI-SNVBAGLBSA-N 328.264 4.817 0 40 EJAB COc1ccc2oc(C)c(C(=O)N(C3CCCCC3)C3CC3)c2c1 58407599 HIQVMYKWOKIYAP-UHFFFAOYSA-N 327.424 4.687 0 40 EJAB COc1ccc(C)cc1CN1CCC(c2cc3ccccc3[nH]2)CC1 65966755 QPURLPPQVOILLM-UHFFFAOYSA-N 334.463 4.865 0 40 EJAB Cc1ccc(C)c(CC(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)c1 219276549 PCYLHRWRWKUDDQ-IBGZPJMESA-N 337.463 4.573 0 40 EJAB CC[C@H](Oc1ccccc1C)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 223218984 TYHZQHIYBDWSDL-UZLBHIALSA-N 337.463 4.519 0 40 EJAB O=C(NCCCc1ccc(Cl)cc1)C1(c2ccccc2)CCCC1 223746968 ZBDPUKCEOLPXMZ-UHFFFAOYSA-N 341.882 4.901 0 40 EJAB Cc1ccc(CSCCNC(=O)CCc2ccc(C)c(C)c2)cc1 224404807 UCGSTJFEWPYXBD-UHFFFAOYSA-N 341.520 4.594 0 40 EJAB Cc1ccc(-c2c(C(F)(F)F)nn(-c3ccc(C)cc3)c2N)cc1 225178900 XXLJVNZCOIRBRB-UHFFFAOYSA-N 331.341 4.757 0 40 EJAB Cc1ccc(C)c(C(=O)Nc2nc(-c3c(F)cccc3F)cs2)c1 509382741 KJOFRXJTGQSAPN-UHFFFAOYSA-N 344.386 4.957 0 40 EJAB O=C(CSc1ccc(F)cc1)NCc1cc(-c2ccoc2)cs1 1775969871 POQAEAZKVMQMCW-UHFFFAOYSA-N 347.436 4.556 0 40 EJAB CSc1nc(-c2ccccc2)nc2sc3c(c12)CC(C)(C)OC3 523322 NSBXLLCXIIRADQ-UHFFFAOYSA-N 342.489 4.932 0 40 EJAB O=C(Nc1ccccc1N1CCCC1)c1cc(Cl)ccc1Cl 803487 NCKYQEWGHOIVAA-UHFFFAOYSA-N 335.234 4.846 0 40 EJAB CC(C)(C)[C@@H]1COc2ccccc2N1C(=O)c1ccccc1Cl 1389078 BPQCMOJWXJHOQO-KRWDZBQOSA-N 329.827 4.794 0 40 EJAB CCOC(=O)c1sc(NC(=O)/C=C/c2cccc(Cl)c2)cc1C 3270407 GEVNUJXWUBZVKV-BQYQJAHWSA-N 349.839 4.539 0 40 EJAB Cc1oc(-c2ccccc2)cc1C(=O)Nc1cccc(/C=C\C(=O)O)c1 4557941 JQMVUAYFYRCGHV-KHPPLWFESA-N 347.370 4.605 0 40 EJAB CC1CCC2(CC1)N=C(c1ccc(Cl)c(Cl)c1)C(=S)N2 4891096 IGUAUUVDZOSVJC-UHFFFAOYSA-N 327.280 4.620 0 40 EJAB O=C(/C=C/c1cccs1)Nc1ncc(Cc2ccccc2F)s1 6227095 FXCWJBAXQVTKKG-BQYQJAHWSA-N 344.436 4.586 0 40 EJAB COc1ccc(S[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)cc1 7294700 FGZVZOYPVBNSFJ-OAHLLOKOSA-N 329.465 4.740 0 40 EJAB COc1ccc(NC(=O)c2sc3cccc(F)c3c2C)c(OC)c1 7667571 SHDYCRBHWBRAMB-UHFFFAOYSA-N 345.395 4.618 0 40 EJAB O=C(c1ccccc1)c1ccc(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)cc1 7987579 PNCBTMDKRHJDFL-UWJYYQICSA-N 347.458 4.712 0 40 EJAB Cc1ccc(-c2sc(-c3ccccc3)nc2CC(=O)NC2CC2)cc1 8035037 KRMOZLMDOGXXJO-UHFFFAOYSA-N 348.471 4.607 0 40 EJAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccccc1Br 8723210 VUBORGLFESYIHI-INIZCTEOSA-N 348.240 4.554 0 40 EJAB Cc1ccc(CC(=O)Nc2cccc(/C=C/c3ccccn3)c2)cc1 12108074 JXRKODAOCJVFEI-OUKQBFOZSA-N 328.415 4.742 0 40 EJAB COc1cccc(CCCNC(=O)c2ccc(-c3ccccc3)cc2)c1 13632459 BKATYHMDKIJIAZ-UHFFFAOYSA-N 345.442 4.725 0 40 EJAB COc1cc(/C=C/c2ccccc2)c(C(=O)O)c(O)c1CC=C(C)C 15115243 XPDYDSQPCFQSLH-ZHACJKMWSA-N 338.403 4.778 0 40 EJAB endogenous,in-man C[C@H](OC(=O)c1occc1-c1ccccc1)C(=O)c1ccc(F)cc1 16537764 MEQYNOVYILMGLY-ZDUSSCGKSA-N 338.334 4.514 0 40 EJAB FC(F)(F)c1ccc2nc([C@H]3CCN(Cc4ccccc4)C3)[nH]c2c1 35446668 FHQVWSTYEFISFQ-AWEZNQCLSA-N 345.368 4.571 0 40 EJAB biogenic,in-vitro Clc1ccc(OCC[C@@H]2CCCCN2)c(Cc2ccccc2)c1 42773737 QIIMPOHSZMOSOV-IBGZPJMESA-N 329.871 4.842 0 40 EJAB CCN(C(=O)Nc1ccc(C)cc1C)[C@@H](C)c1cccc(OC)c1 47322370 NXUGGZUNDHHRHM-INIZCTEOSA-N 326.440 4.927 0 40 EJAB COC(=O)c1ccc2nc(-c3cccc(Br)c3)sc2c1 73740415 HVWJKEWASSPMOY-UHFFFAOYSA-N 348.221 4.512 0 40 EJAB CSc1ccc(/C=C/C(=O)N(Cc2ccsc2)C2CC2)cc1 96120296 NGKOHBSIGCJFKL-RUDMXATFSA-N 329.490 4.674 0 40 EJAB Cc1cc(C)n2cc(CNc3ccccc3Cc3ccccc3)nc2n1 98081054 USAMTJGTVXYMHU-UHFFFAOYSA-N 342.446 4.549 0 40 EJAB Cc1nc2c(C)cccc2c(O)c1CN1C[C@]2(C)C[C@@H]1CC(C)(C)C2 100279474 KLCRMNQOYHEXNH-KSFYIVLOSA-N 338.495 4.958 0 40 EJAB Cc1ccc(NC(=S)NCC2(c3ccccc3)CCCCC2)nc1 223991093 MTYPPSPYMHOXKX-UHFFFAOYSA-N 339.508 4.579 0 40 EJAB CC1(C)C[C@@H](NC(=S)Nc2ccc(F)c(F)c2)c2ccccc2O1 225577476 ZXSAWAFIRUGKDB-OAHLLOKOSA-N 348.418 4.554 0 40 EJAB O=C(CCCCCBr)c1sccc1Br 394534723 CCWPXJQVTNEMIA-UHFFFAOYSA-N 340.080 4.649 0 40 EJAB Cc1cc(/C=C2\Sc3ccccc3NC2=O)c(C)n1-c1cccnc1 409089511 NYDFDIDTGQJGOO-ODLFYWEKSA-N 347.443 4.574 0 40 EJAB O=C(Nc1cc(Cl)cc(Cl)c1)c1cc(Cl)cnc1Cl 166843 MNGWLIWWWKUOOE-UHFFFAOYSA-N 336.005 4.948 0 40 EJAB Cc1ccc(C(=O)N2c3ccc(Br)cc3CC[C@H]2C)cc1 391449 FETHPSHUCKCXFM-CYBMUJFWSA-N 344.252 4.739 0 40 EJAB Clc1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3)n3ncnc3N2)cc1 407822 WNVAJAMIIYZLMR-JKSUJKDBSA-N 345.233 4.731 0 40 EJAB CCc1cc2ccccc2nc1SCC(=O)Nc1ccccc1F 413302 BUGLJWRPUOEGAK-UHFFFAOYSA-N 340.423 4.667 0 40 EJAB Clc1cccc(-c2nn3c(-c4cccc(Cl)c4)nnc3s2)c1 525909 FJIWDRNZICEQSQ-UHFFFAOYSA-N 347.230 4.827 0 40 EJAB CC(=O)Nc1cc(Cl)cc2c1-c1c(Cl)cc(Cl)cc1C2=O 1729098 JBJYREJUCIAWQP-UHFFFAOYSA-N 340.593 4.817 0 40 EJAB O=C(c1ccc(Cl)c(Cl)c1)c1ccccc1CN1CCCC1 2515583 NZLISMODMBDZBN-UHFFFAOYSA-N 334.246 4.820 0 40 EJAB O=C(OCc1csc(Nc2ccccc2)n1)c1ccc(Cl)cc1 3229410 GNURDSUHZNMDGV-UHFFFAOYSA-N 344.823 4.897 0 40 EJAB COC(=O)C[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 4104856 UCSNJCLUEXCBAM-UTUVXGNZSA-N 348.527 4.569 0 40 EJAB biogenic,in-vitro CC(=O)CSc1nc2cc(C34CC5CC(CC(C5)C3)C4)ccc2o1 4760901 PDJKIFKVDZAVRC-UHFFFAOYSA-N 341.476 4.977 0 40 EJAB O=C(N[C@@H]1CCSc2ccccc21)c1cccc(C(F)(F)F)c1 5176807 PYONYXGRJGFXON-CQSZACIVSA-N 337.366 4.672 0 40 EJAB CCCCN(CCNc1cc(OC)cc2cccnc12)C[C@@H](C)CC 5837922 NQFXOYSWSKBKDZ-KRWDZBQOSA-N 343.515 4.804 0 40 EJAB CCN(C(=O)c1cccc(Cl)c1)c1nc2c(C)cccc2s1 5938556 FIYLVTKMSZZXIX-UHFFFAOYSA-N 330.840 4.925 0 40 EJAB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc2ccccc12 6152819 AICAXQWDLNNFEX-ZDUSSCGKSA-N 325.795 4.899 0 40 EJAB C[C@H](CCc1ccccc1)NC(=O)C(C)(C)Oc1ccc(Cl)cc1 6176162 KETSBDSANNTQKD-OAHLLOKOSA-N 345.870 4.635 0 40 EJAB CCCCOc1ccc(C(=O)Nc2ccc(CC)cc2)cc1OC 6656688 DWKHWKCJAIBVCT-UHFFFAOYSA-N 327.424 4.689 0 40 EJAB CCCn1c(NC(=O)c2ccccc2C(F)(F)F)nc2ccccc21 12546612 WNXUGJMYCIMJPC-UHFFFAOYSA-N 347.340 4.717 0 40 EJAB COC[C@H](C)n1c(-c2cccs2)cs/c1=N\c1ccc(F)cc1 12619021 UCYFZXSYARHJPO-LCIOQVQZSA-N 348.468 4.857 0 40 EJAB CCOc1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)cc1 12806998 RJRCSUFUCPCXKC-AWEZNQCLSA-N 348.446 4.944 0 40 EJAB CSc1nc(C(C)C)nc(C)c1C(=O)Nc1ccc(Cl)cc1 12866296 PDOPAESWTLACSS-UHFFFAOYSA-N 335.860 4.536 0 40 EJAB Cc1cccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)cc2)n1 16362435 LUELTAGZOVCPFA-LJQANCHMSA-N 349.821 4.815 0 40 EJAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccccc1OC 20050406 BYQRRPRYWMHPNG-SFHVURJKSA-N 335.403 4.645 0 40 EJAB Cc1ccc([C@H](C)NC(=O)CSCc2ccccc2Cl)cc1 20104663 OATCGTDOSCHTGS-AWEZNQCLSA-N 333.884 4.759 0 40 EJAB CC(C)(C)c1ccc(C(=O)Nc2cccc(-c3ccc(CO)o3)c2)cc1 20137679 CVSCQYGGFFEAET-UHFFFAOYSA-N 349.430 4.989 0 40 EJAB CCOc1ccc([C@@H](C)NC(=O)[C@H](C)Sc2ccc(C)cc2)cc1 20490653 ZULHDHMSHASOAX-CVEARBPZSA-N 343.492 4.752 0 40 EJAB CCN(C(=O)c1ccc(-c2nc3ccccc3s2)o1)C1CCCC1 47216617 GKFHBKAAFCYDIQ-UHFFFAOYSA-N 340.448 4.961 0 40 EJAB CCCCc1ccc(NC(=S)Nc2ccc(OC)c(F)c2)cc1 71325876 UWNIQKXTQMPMIJ-UHFFFAOYSA-N 332.444 4.986 0 40 EJAB CC(C)(C)OC(=O)N(c1ccccc1)c1ccc(C2=NCCC2)cn1 72215783 WPDCLLPBVFMNDN-UHFFFAOYSA-N 337.423 4.738 0 40 EJAB CO[C@@H](C(=O)Nc1ccc(Nc2ccccc2)cc1)c1ccccc1 78890809 XZCGCOAVMHYRRE-HXUWFJFHSA-N 332.403 4.756 0 40 EJAB CCc1cnc(CNc2ccc(Cl)cc2[C@@H](O)c2ccccc2)o1 95414878 VXDYZXBACFKGSM-IBGZPJMESA-N 342.826 4.584 0 40 EJAB CC[C@@H](N[C@@H](C)c1ccc(Br)s1)c1ccncc1 95423135 ZGNREPSBZXWIQI-CMPLNLGQSA-N 325.275 4.708 0 40 EJAB COc1cc(CN[C@@]2(C)CCCc3ccccc32)cc(Cl)c1OC 95960009 SGIHNULVDVHNDF-FQEVSTJZSA-N 345.870 4.699 0 40 EJAB Cc1ccc2ccccc2c1[C@H](O)c1cccc(Br)c1 161004602 VYGQSEVOYNEPOU-GOSISDBHSA-N 327.221 4.992 0 40 EJAB Cc1cc(Cl)ccc1NC(=O)[C@H](C)Oc1cccc2c1CCCC2 224298358 JJYBEFIBNWYPMY-AWEZNQCLSA-N 343.854 4.933 0 40 EJAB CCCOCc1cc(C(=O)Nc2ccccc2C)ccc1OCC 224704045 GZWWBKNSABXHAS-UHFFFAOYSA-N 327.424 4.573 0 40 EJAB CCOc1ccccc1NC(=O)CCc1c(Cl)cccc1Cl 225344685 OISBWVJEAWGEAT-UHFFFAOYSA-N 338.234 4.963 0 40 EJAB Cc1ccc(N(C)C(=O)Nc2ccc3nc(C)c(C)nc3c2)cc1C 408978524 MRDDKKCJAXHSRC-UHFFFAOYSA-N 334.423 4.532 0 40 EJAB Cc1ccc2[nH]c3c(N4C[C@@]5(C)C[C@@H]4CC(C)(C)C5)ncnc3c2c1 525845 AQZQOIMXUHPLBV-QKKBWIMNSA-N 334.467 4.825 0 40 EJAB CCOC(=O)c1c(-c2ccc(OC)cc2)oc2ccc(OCC)cc12 547552 FQAMGNUHPOYFIF-UHFFFAOYSA-N 340.375 4.684 0 40 EJAB biogenic Cc1ccc(-n2c(-c3ccco3)nc3nc4ccccc4nc32)cc1F 553905 OATKZNWWTABKCB-UHFFFAOYSA-N 344.349 4.676 0 40 EJAB CCn1c(SCc2ccccc2)nnc1-c1cccc(Cl)c1 574185 NRIHZVFNOAMYFY-UHFFFAOYSA-N 329.856 4.911 0 40 EJAB CCc1cccc(N2COc3c(cc4c(CC)cc(=O)oc4c3C)C2)c1 2116579 YJDHOJVYRXOEEQ-UHFFFAOYSA-N 349.430 4.583 0 40 EJAB biogenic CC(C)(C)c1ccc(NC(=O)CSc2nc3ccccc3o2)cc1 2158140 SMDCJDYDZMFCIT-UHFFFAOYSA-N 340.448 4.856 0 40 EJAB CC(C)OP(=O)(OC(C)C)[C@@H](O)c1ccccc1C(F)(F)F 2238317 MWTKZEQBKNPZEB-CYBMUJFWSA-N 340.278 4.739 0 40 EJAB O=C(c1ccc(CN2CCCCC2)cc1)c1ccc(F)c(Cl)c1 2514518 JEDNNHSXQSWDJB-UHFFFAOYSA-N 331.818 4.696 0 40 EJAB Cc1ccc(-c2cc(C(=O)Nc3ccccn3)c3ccccc3n2)s1 2738634 GNZQCRAKKCQCBA-UHFFFAOYSA-N 345.427 4.919 0 40 EJAB O=C(Cc1ccc(Cl)cc1)NCc1ccc(Cl)cc1Cl 3275900 FFWHZTAWRLCART-UHFFFAOYSA-N 328.626 4.506 0 40 EJAB Cc1cc2occ(CC(=O)N[C@@H]3CCCc4ccccc43)c2cc1C 3326906 KXWAKLJSDXMEOB-HXUWFJFHSA-N 333.431 4.786 0 40 EJAB O=C(Nc1nc2c(cc3c4c(cccc42)CC3)s1)c1ccccc1F 4176254 KVFLPSUHKYZXHN-UHFFFAOYSA-N 348.402 4.940 0 40 EJAB CCc1ccc(NC(=O)[C@@H](C)Sc2nc3ccccc3o2)cc1 5033589 BJONGIPRBVYECD-GFCCVEGCSA-N 326.421 4.510 0 40 EJAB CC(C)Oc1cccc(CNC(=O)c2ccc(C(C)(C)C)cc2)c1 10542717 LPIQAUQGHNSUSO-UHFFFAOYSA-N 325.452 4.701 0 40 EJAB COc1cc(OC)c(NC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)cc1Cl 22006919 KWMYFDUKMMWRJG-ZBEGNZNMSA-N 337.847 4.534 0 40 EJAB Cc1cc(C(=O)CCC(=O)N2CCC[C@H]2c2ccccc2)c(C)s1 22328601 ZWDQFBFDCHONOO-SFHVURJKSA-N 341.476 4.692 0 40 EJAB CCn1c(C)c(N(C)C)c2cc(C(=O)Nc3ccc(C)cc3)ccc21 28047682 LHROMMAKNLOGOL-UHFFFAOYSA-N 335.451 4.596 0 40 EJAB Cc1cc2occ(CC(=O)N[C@@H](C)c3cccnc3)c2cc1C(C)C 32731647 ZJCRLOYPRHCZHG-HNNXBMFYSA-N 336.435 4.680 0 40 EJAB CCSc1ccccc1NS(=O)(=O)c1ccc2ccccc2c1 44838912 IQTWMGWTOTYOTB-UHFFFAOYSA-N 343.473 4.753 0 40 EJAB CC(C)(NCc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCO2 58142024 PZQVNRIFVHLVGS-UHFFFAOYSA-N 338.234 4.747 0 40 EJAB Cc1ccc([C@H](C)NC(=O)COc2ccc(C(C)C)cc2)cc1C 59351183 PJCDLNXPBMPGPX-KRWDZBQOSA-N 325.452 4.683 0 40 EJAB CCO[C@@H](C)c1nc(CN[C@H](c2ccc(F)cc2)C(C)C)cs1 76717148 KSNFAIRXIJOLSV-GUYCJALGSA-N 336.476 4.867 0 40 EJAB O[C@@H](Cn1/c(=N\c2ccccc2)sc2ccccc21)c1ccccc1 100510626 OFRLDPGNAQEPKT-XJUMHSELSA-N 346.455 4.669 0 40 EJAB CCc1ccc(O[C@H](CC)C(=O)N[C@@H]2CCCc3ccccc32)cc1 113968901 NRGGPVGHECXVSP-NHCUHLMSSA-N 337.463 4.600 0 40 EJAB CSc1ccccc1C(=O)N1CCS[C@H](c2ccccc2)CC1 208040479 GICIYPSUIZHGDJ-KRWDZBQOSA-N 343.517 4.729 0 40 EJAB CC[C@H](NC(=O)COc1ccc(C)cc1C)c1ccc(C)c(C)c1 222829823 RKBGTOWQAVDRTF-IBGZPJMESA-N 325.452 4.567 0 40 EJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1cccc(COC)c1 224457527 WQDYTVIRQJRLOK-HXUWFJFHSA-N 349.430 4.782 0 40 EJAB Cc1ccc(NC(=S)N[C@H](c2ccccc2)c2cccc(C)c2)nc1 225701520 QMDDEUKGWASGET-HXUWFJFHSA-N 347.487 4.774 0 40 EJAB O=C1Nc2ccccc2/C1=C/c1ccccc1OCc1ccc(F)cc1 409117217 LCVDMSHPQGJTMU-UYRXBGFRSA-N 345.373 4.897 0 40 EJAB CCOc1ccc(NC(=O)N2[C@H]3CC[C@H]2CC(=CC2CC2)C3)cc1 1776008610 JUYAVNBALSOSEY-ROUUACIJSA-N 326.440 4.580 0 40 EJAB C[C@H](Oc1ccccc1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 364914 OAWQAZSNFIIVNT-JTQLQIEISA-N 343.732 4.765 0 40 EJAB CSc1ncnc2c1sc1nc(C(C)C)c3c(c12)CCCC3 506847 DZBSHDZNSVCHDI-UHFFFAOYSA-N 329.494 4.964 0 40 EJAB CCN(CC)Cc1ccc(NC(=O)c2ccc(C)c(Cl)c2)cc1 568279 HYHIKONADJANDM-UHFFFAOYSA-N 330.859 4.743 0 40 EJAB O=C(CCN1CC[C@H](c2ccccc2)C1)c1ccc2ccccc2c1 1176786 ATIWHAUCBKCFSB-QFIPXVFZSA-N 329.443 4.902 0 40 EJAB Cc1cccc(C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)c1 1505488 SPERGAVKQITFMF-UHFFFAOYSA-N 330.359 4.649 0 40 EJAB C[C@H](C=O)[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 1700147 XVPJEGGIGJLDQK-QSMDXMANSA-N 328.496 4.970 0 40 EJAB CCCCCn1c([C@@H](Cc2ccccc2)NC(C)=O)nc2ccccc21 1927011 LIGYTMOJMOXDQB-HXUWFJFHSA-N 349.478 4.646 0 40 EJAB CN(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C1CCCCC1 3403470 LHSBPAFOGQSYOH-UHFFFAOYSA-N 348.796 4.562 0 40 EJAB CCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccccc1)C2 4910873 YNMUXWYCCPSWKG-MRXNPFEDSA-N 339.435 4.583 0 40 EJAB Cc1ccc(SCC(=O)NC(c2ccccc2)c2ccccc2)cc1 5462089 NZGCSUJAQLTSMM-UHFFFAOYSA-N 347.483 4.993 0 40 EJAB CCOc1ccccc1NC(=S)Nc1ccccc1C(F)(F)F 5499917 MVJHMRGKSWWPHI-UHFFFAOYSA-N 340.370 4.913 0 40 EJAB Cc1ccc(-c2nc(COC(=O)c3ccc(C)s3)cs2)cc1 6052227 LAOGINMXGZXQNR-UHFFFAOYSA-N 329.446 4.845 0 40 EJAB O=C(c1cc(C2CC2)nn1-c1ccccc1)N1CCC[C@@H]2CCCC[C@H]21 7780520 IBEAOTZZIAVUMH-FXAWDEMLSA-N 349.478 4.545 0 40 EJAB O=C(Nc1ccc(N2CCCCC2)cc1)C1(c2ccccc2)CCC1 8113617 UBKBUNBQPOIXSR-UHFFFAOYSA-N 334.463 4.737 0 40 EJAB O=C(Nc1ccc(Cl)cc1)Nc1nc(-c2ccncc2)cs1 8194527 GIXROTPBLKKOLP-UHFFFAOYSA-N 330.800 4.503 0 40 EJAB O=C(CCSc1ccc(F)cc1)N[C@@H]1CCSc2ccccc21 8394660 ZFDXTCNWSBZTSB-MRXNPFEDSA-N 347.480 4.661 0 40 EJAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1c2ccccc2C[C@H]1C 10449632 RSTLPDXKSRZMBS-CHWSQXEVSA-N 331.868 4.798 0 40 EJAB CCN(C(=O)c1cc(-c2ccc(Cl)cc2)on1)c1ccccc1 11915703 BZAHRPYXKICXCM-UHFFFAOYSA-N 326.783 4.662 0 40 EJAB O=C(O)c1ccccc1SCc1csc(Nc2ccccc2)n1 12606786 GSIRODTUXNWZBS-UHFFFAOYSA-N 342.445 4.877 0 40 EJAB CCC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C 12653101 ULJOJMSGJSWPSE-QFJIJFTOSA-N 342.479 4.616 0 40 EJAB biogenic O=C(Cc1csc(-c2ccc(F)cc2)n1)Nc1ccccc1Cl 14141350 DBNIRXUFOSRTRR-UHFFFAOYSA-N 346.814 4.784 0 40 EJAB CC[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(OC)cc1 20110657 DRFADYSJXKMJRX-IBGZPJMESA-N 325.452 4.874 0 40 EJAB Cc1cccc(NC(=O)c2ccc(CN3CCc4ccccc43)cc2)c1 20460494 JIOJYPWQHBCRQI-UHFFFAOYSA-N 342.442 4.810 0 40 EJAB CCOc1ccc(NC(=O)c2cc(-c3ccc(C)c(C)c3)on2)cc1 27583580 PHLMDTXEPOFSHC-UHFFFAOYSA-N 336.391 4.609 0 40 EJAB O=C(NC(c1ccccc1)c1ccccc1)c1ccc(F)c(F)c1F 28210660 WTSNDCDFUITPSP-UHFFFAOYSA-N 341.332 4.623 0 40 EJAB CCOc1cccc(CNC(=O)c2ccc(-c3ccccc3)cc2)c1 30873171 BDWNOYOHZGSJPN-UHFFFAOYSA-N 331.415 4.682 0 40 EJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccccc1SC 44899932 XXUGNDYCHBWKMC-QGZVFWFLSA-N 329.465 4.821 0 40 EJAB CC[C@H](NCc1cccc(COC2CCOCC2)c1)c1ccccc1 71902731 BFZPDDINZRYLFC-QFIPXVFZSA-N 339.479 4.623 0 40 EJAB Cc1ccc(-c2nnc([C@H]3CCCN3Cc3ccccc3C)o2)s1 72390175 YCMIBMFMYFGMTQ-MRXNPFEDSA-N 339.464 4.752 0 40 EJAB CCOC(=O)Nc1cccc(NC(=O)N(C)CC2CCCCC2)c1C 84794445 BQWPMDKIWIMHQZ-UHFFFAOYSA-N 347.459 4.607 0 40 EJAB Cc1c([C@@H](C)N[C@H](C)c2ccncc2)cnn1-c1cccc(Cl)c1 89544953 JPUFRYKDVHSEAH-ZIAGYGMSSA-N 340.858 4.641 0 40 EJAB CC1(C)C[C@@H]2C[C@](C)(CN2c2ncnc3c2[nH]c2ccc(F)cc23)C1 100801900 NCOAPQJQLYUNEA-XCLFUZPHSA-N 338.430 4.655 0 40 EJAB COc1ccc(NC(=O)C2(c3ccccc3)CCCC2)c2cccnc12 195645361 WNFCXUTZVZOBPI-UHFFFAOYSA-N 346.430 4.694 0 40 EJAB CC(C)c1ccccc1OCCNC(=O)CCc1ccc(Cl)cc1 223835457 CZSSPUDQNDDAAC-UHFFFAOYSA-N 345.870 4.591 0 40 EJAB Cc1ccc(C[C@@H](Oc2ccccc2C(C)(C)C)C(=O)O)c(C)c1 225025423 YGNRPDWWNOBLEA-LJQANCHMSA-N 326.436 4.676 0 40 EJAB CCCCOc1ccc(NC(=O)[C@@]2(OCC)CCC[C@H](C)C2)cc1 225712996 FNZLKBILJXGZRL-OXJNMPFZSA-N 333.472 4.789 0 40 EJAB O=C(CSCc1ccc(Cl)cc1F)Nc1ccc(F)c(F)c1 225801576 KKZIXOSPXCAEOH-UHFFFAOYSA-N 345.773 4.629 0 40 EJAB Cc1ccc(-c2nn(C)cc2C(=O)Nc2c(C)cccc2C(C)C)o1 636460183 BPRQOFDVYRMIAE-UHFFFAOYSA-N 337.423 4.673 0 40 EJAB O=C(c1cccs1)N1CCS[C@@H]1c1ccc(C(F)(F)F)cc1 327994 FYIZDJWDACNZAC-CQSZACIVSA-N 343.395 4.655 0 40 EJAB O=C(Cc1coc2ccc3ccccc3c12)N1CCc2ccccc2C1 351956 SVBNUDPKFOVUEQ-UHFFFAOYSA-N 341.410 4.713 0 40 EJAB Cc1nc(NC(=O)c2ccc3ccccc3c2)ccc1Br 515030 ZXDUNTIVZVVWFV-UHFFFAOYSA-N 341.208 4.558 0 40 EJAB Cc1ccc(OCC(=O)Nc2nc3cc(Cl)c(C)cc3s2)cc1 569627 RGLJPIICFDHQJM-UHFFFAOYSA-N 346.839 4.584 0 40 EJAB Cc1ccc(/C=C/[C@]23N=C(O)CCN2c2ccccc2C3(C)C)cc1 1061362 RGBIEZDHXWWMHW-VKXNWWILSA-N 332.447 4.863 0 40 EJAB COC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)n(-c2ccccc2)n1 1389633 QSAFFKZVADBCJK-UHFFFAOYSA-N 347.201 4.633 0 40 EJAB Cc1nn2c(C(F)(F)F)cc(-c3ccc(Cl)o3)nc2c1Cl 1403910 QOQGNZBPXMKVDH-UHFFFAOYSA-N 336.100 4.623 0 40 EJAB CCOC(=O)c1cc(-c2ccncc2)nc2c(Cl)cc(Cl)cc12 1622199 QUVNSBLXJVWUEY-UHFFFAOYSA-N 347.201 4.780 0 40 EJAB CCOc1ccc([C@@H](C)NC(=O)c2cc(C)ccc2C)cc1OCC 3334427 MAFCPFUQWDABCG-MRXNPFEDSA-N 341.451 4.592 0 40 EJAB O=C(CNc1ccccc1F)Nc1cccc(Oc2ccccc2)c1 3413306 RRFZWATZKPQQAI-UHFFFAOYSA-N 336.366 4.669 0 40 EJAB COc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1C1(CCCCC1)O2 4281985 MAVQVQWPTSXCEE-HXUWFJFHSA-N 348.446 4.899 0 40 EJAB Cc1occc1-c1nnc2sc(/C=C/c3ccc(Cl)cc3)nn12 5032100 WGSCHCDFJAKKJJ-QPJJXVBHSA-N 342.811 4.578 0 40 EJAB CSc1nc(NNc2ccccc2)c2c3c(sc2n1)CCCC3 5054084 PYRPFFPYVJWEAO-UHFFFAOYSA-N 342.493 4.731 0 40 EJAB COc1ccc(CSc2nc(Cc3ccccc3)c(C)[nH]2)cc1F 5312467 GNZIETSBQNZYKO-UHFFFAOYSA-N 342.439 4.749 0 40 EJAB Cc1cccc(NC(=O)c2cccc(NC(=O)c3cccs3)c2)c1 7126188 AHKWWZLRZSTGNG-UHFFFAOYSA-N 336.416 4.561 0 40 EJAB CC(=O)c1ccc(C(=O)Nc2ccc(N3CCCCCC3)cc2)s1 7239983 NXIUVGQMPOKVLF-UHFFFAOYSA-N 342.464 4.583 0 40 EJAB Cc1cccc(NC(=O)CN2CC[C@@H](C)Sc3ccccc32)c1C 8132345 POBJKJLIEYSTIQ-OAHLLOKOSA-N 340.492 4.633 0 40 EJAB Cc1c(C(=O)Nc2ccnn2C2CCCC2)oc2c(Cl)cccc12 8316226 RZVMWWFBPGYQQR-UHFFFAOYSA-N 343.814 4.959 0 40 EJAB Cc1ccc(-c2cnc(CCC(=O)Nc3cccc(C)c3C)o2)cc1 8986894 XDMNWKUHDXGALV-UHFFFAOYSA-N 334.419 4.838 0 40 EJAB CCCC(=O)Nc1ccc2oc(Cc3ccc(Cl)cc3)nc2c1 13839658 VPCGUQPYPYMUPD-UHFFFAOYSA-N 328.799 4.811 0 40 EJAB Cc1nc(-c2cccs2)c(CC(=O)N[C@@H](C)c2ccccc2)s1 15840073 OHTKTFCUHFJIKH-LBPRGKRZSA-N 342.489 4.600 0 40 EJAB Cn1nc(-c2ccc(F)cc2)c(Br)c1-c1ccc(F)cc1 17072497 SGGFLLJMHLCEHE-UHFFFAOYSA-N 349.178 4.795 0 40 EJAB CN(CCC(=O)Nc1ccccc1)C(c1ccccc1)c1ccccc1 22198245 NJKWDHMLLAASPK-UHFFFAOYSA-N 344.458 4.737 0 40 EJAB O=C(c1cc(F)ccc1Br)N1CCC[C@H]1c1ccccc1 22328709 NYHCHQWVTRPGSV-INIZCTEOSA-N 348.215 4.566 0 40 EJAB Cc1nc(CC(=O)Nc2ccccc2SC2CCCC2)cs1 25265323 BBICRROLUCJCSC-UHFFFAOYSA-N 332.494 4.667 0 40 EJAB COc1cc(-c2ccccc2C(=O)C(C)(C)C)cc(OC)c1OC 26897512 YLZPRMDQHLXYIG-UHFFFAOYSA-N 328.408 4.608 0 40 EJAB COCC(=O)Nc1ccc(-c2ccc(C(C)(C)C)cc2)cc1Cl 31982500 DJDVBAXUKPIQDR-UHFFFAOYSA-N 331.843 4.889 0 40 EJAB Cc1ccc(-c2cc(C(F)F)nc(N3CCC[C@@H](C)C3)n2)cc1C 36612840 HLSRDNROILOMHG-GFCCVEGCSA-N 331.410 4.934 0 40 EJAB CC(C)c1ccccc1NC(=O)[C@H]1CCCN(Cc2ccccc2)C1 38856661 VIEUNRMDVQLZRW-IBGZPJMESA-N 336.479 4.661 0 40 EJAB C[C@@H](Nc1ccc2oc(C(C)(C)C)nc2c1)c1nc(C(C)(C)C)no1 40086317 YKDXIRNYPMLVCS-LLVKDONJSA-N 342.443 4.979 0 40 EJAB CC[C@H](Oc1ccc(C)cc1)C(=O)N[C@H](C)c1ccc(C)c(C)c1 59351301 WKFXRRSRCZPGOP-XLIONFOSSA-N 325.452 4.647 0 40 EJAB COc1cccc([C@H](C)N2CCC[C@H](c3nc4ccccc4o3)C2)c1 72309100 ZUJHOXBTSAZDJK-RDJZCZTQSA-N 336.435 4.777 0 40 EJAB O=C(Cc1cccc2ccccc12)N(CCc1cccs1)C1CC1 75154798 AQWPEKDZUUTAGK-UHFFFAOYSA-N 335.472 4.678 0 40 EJAB C[C@@H]1[C@@H](NC(=O)c2cccc(OCc3ccccc3)c2)CCC[C@H]1C 108926296 DJXJETVHGPUZGE-WWMYMODYSA-N 337.463 4.820 0 40 EJAB CC[C@H](NC(=O)[C@H](C)Oc1cccc(C)c1C)c1ccc(C)cc1C 219310903 MOVLIJGNLDLTMS-ICSRJNTNSA-N 339.479 4.955 0 40 EJAB CC(C)Sc1ccccc1C(=O)NCCCc1ccc(F)cc1 219653571 USKDAARJNXIFAN-UHFFFAOYSA-N 331.456 4.689 0 40 EJAB Cc1ccc(N2CCC(C(=O)Nc3ccc(Cl)cc3C)CC2)cc1 219852468 KETQQSVCKKWCRV-UHFFFAOYSA-N 342.870 4.812 0 40 EJAB Cc1cccc(Nc2ccc(NC(=S)NC3CCCCC3)cn2)c1 224039434 PJAJVXDGHOEENA-UHFFFAOYSA-N 340.496 4.753 0 40 EJAB CCc1ccc(CC)c(CNC(=O)[C@@H](CC)Oc2ccccc2C)c1 225105411 SKNZVCPEDAOUEA-HXUWFJFHSA-N 339.479 4.594 0 40 EJAB CCOc1ccccc1CCCNC(=S)Nc1cc(C)cc(C)c1 225394800 METYNCNGUVDEHX-UHFFFAOYSA-N 342.508 4.621 0 40 EJAB Cc1cc([C@@H](C)N[C@@H](C)c2nnc(-c3cccc(F)c3)s2)c(C)o1 225577226 YSKCVVDJLTYHON-NEPJUHHUSA-N 345.443 4.966 0 40 EJAB CCCO[C@](C)(CC)C(=O)Nc1ccc(OCC)c(C(F)(F)F)c1 225838338 LKIXNCFPQOSTEH-MRXNPFEDSA-N 347.377 4.638 0 40 EJAB O=C(COCc1ccccc1)c1ccc(Br)c(Cl)c1 390764675 CUWTVJUAQFSVBY-UHFFFAOYSA-N 339.616 4.502 0 40 EJAB O=C(NCc1ccco1)/C(=C/c1ccccc1Cl)c1ccccc1 408906633 COJNUNUUALBKAD-QGOAFFKASA-N 337.806 4.790 0 40 EJAB C[C@H](NC(=O)c1ccccc1OC(F)F)c1ccc(F)cc1Cl 605479340 YGBQDXNUZIQQCL-VIFPVBQESA-N 343.732 4.572 0 40 EJAB O=C(Nc1nc2ccc(Cl)cc2s1)[C@@H]1C[C@@H]1c1ccccc1 999390 OXNAXRHJNUMJHJ-CHWSQXEVSA-N 328.824 4.692 0 40 EJAB CC(C)(C)[C@@H]1COc2ccccc2N1C(=O)c1cccc(Cl)c1 1392397 VASIBLKLOJMDAS-KRWDZBQOSA-N 329.827 4.794 0 40 EJAB Cc1cc(OCc2ccccc2)c(OCc2ccccc2)cc1C(=O)O 2244166 OZWYGJMNFRFOFR-UHFFFAOYSA-N 348.398 4.851 0 40 EJAB in-vitro C[C@@H](Sc1ccc(F)cc1)C(=O)Nc1ncc(Cl)cc1Cl 3429184 MIRKIUSHZHTYCN-MRVPVSSYSA-N 345.226 4.647 0 40 EJAB CN(CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)C1CCCCC1 3430021 ZZXRTLMRIDVVMU-UHFFFAOYSA-N 349.689 4.850 0 40 EJAB FC(F)(F)c1cc(-c2ccco2)nc2c(-c3ccccc3)cnn12 3644855 PXYNGFSZDNYMCP-UHFFFAOYSA-N 329.281 4.675 0 40 EJAB c1csc(-c2nnc3sc(Cc4cccc5ccccc45)nn23)c1 4939187 WPGMFPXGSURCAG-UHFFFAOYSA-N 348.456 4.658 0 40 EJAB COc1cccc(-c2nc3c(c(SC(C)C)n2)COC(C)(C)C3)c1 5244908 BQKCWQINZBZYLB-UHFFFAOYSA-N 344.480 4.504 0 40 EJAB CC(=O)Nc1cccc(NC(=O)c2ccccc2Oc2ccccc2)c1 5495559 HEQWXJMYVNBFID-UHFFFAOYSA-N 346.386 4.690 0 40 EJAB NC(=O)/C(=C/c1c(Cl)cccc1Cl)c1nc2ccccc2s1 5777544 VTMCTVDCSCMBSS-NTMALXAHSA-N 349.242 4.629 0 40 EJAB CSc1ccc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)cc1 7342824 DTJNDLXODRNGKX-GDNBJRDFSA-N 342.445 4.503 0 40 EJAB CC[C@H](NC(=O)c1ccccc1Br)c1ccc(C)cc1 7792419 GIBFCYYOSBIYOL-INIZCTEOSA-N 332.241 4.639 0 40 EJAB CCOc1cccc(NC(=O)CCSc2ccc(Cl)cc2)c1 10294148 GWWSBWRKHVUUPJ-UHFFFAOYSA-N 335.856 4.860 0 40 EJAB C[C@@H](Nc1ncnc2sccc12)c1nc2ccccc2n1C(F)F 12525591 XPEZRRKAKDDRPH-SECBINFHSA-N 345.378 4.609 0 40 EJAB Cc1cc(C)cc(NC(=O)c2cc(-c3ccco3)nc3onc(C)c23)c1 12766312 RALNKQIRAZHZOQ-UHFFFAOYSA-N 347.374 4.660 0 40 EJAB CC(C)OCCCNC(=O)N1c2ccccc2Sc2ccccc21 13717206 JJIXRZXIBDCRPC-UHFFFAOYSA-N 342.464 4.814 0 40 EJAB CC[C@H](SC(C)=O)C(=O)N1c2ccccc2Sc2ccccc21 13858237 HCUZNGLGQWWSSO-HNNXBMFYSA-N 343.473 4.874 0 40 EJAB COc1ccc(C)cc1NC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 15614892 VGARAIKAAQKOGP-CYBMUJFWSA-N 348.446 4.862 0 40 EJAB COc1ccc(C)cc1NC(=O)[C@@H](C)Sc1ccc(Cl)cc1 15682714 HUHWLFVFPLJYSY-GFCCVEGCSA-N 335.856 4.776 0 40 EJAB c1csc(-c2noc(CCCSc3nc4ccccc4o3)n2)c1 19312469 UZFRPIMJGFKQFP-UHFFFAOYSA-N 343.433 4.664 0 40 EJAB Clc1ccc([C@@H]2[C@@H](NCc3ccccn3)[C@@H]3CCCC[C@H]32)cc1 19401958 NDXXEALOHDYODB-ZRNYENFQSA-N 326.871 4.797 0 40 EJAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)c1 20110582 OQMWHEGBLPHJPP-HNNXBMFYSA-N 331.843 4.980 0 40 EJAB CC1(C)C[C@@H](NCC[C@H](Cc2ccccc2)c2ccccc2)CCO1 32090560 APLNCVHBUSGQIW-YADHBBJMSA-N 337.507 4.950 0 40 EJAB CCc1noc(-c2ccccc2NC(=O)c2ccc(C(C)(C)C)cc2)n1 33012689 KONXYHBUUAHYSJ-UHFFFAOYSA-N 349.434 4.849 0 40 EJAB Cc1noc(C)c1CCC(=O)Nc1ccccc1N(C)c1ccccc1 40114522 DGRFJNOBIKMWHI-UHFFFAOYSA-N 349.434 4.631 0 40 EJAB Cc1ccc(CNc2nc(N3CCCCCC3)c3ccccc3n2)cc1 41149434 MHPKEBJDZGALRN-UHFFFAOYSA-N 346.478 4.931 0 40 EJAB Cc1cccc(CSc2nc3ccccc3c(=O)n2CC(C)C)c1 59094235 YECXOSXODBJLTQ-UHFFFAOYSA-N 338.476 4.653 0 40 EJAB Cc1cc(NC(=O)c2cccc(Cl)c2Cl)n(-c2ccccc2)n1 60525462 JHLLNUBAZXOZFR-UHFFFAOYSA-N 346.217 4.740 0 40 EJAB O=C(Nc1ccnn1C1CCCCC1)c1cccc(C(F)(F)F)c1 69632907 COGQUBYYEJWCBM-UHFFFAOYSA-N 337.345 4.659 0 40 EJAB Cn1ccnc1CNc1ccc(Oc2ncc(Cl)cc2Cl)cc1 95411959 LWJPJBLZQGZRTN-UHFFFAOYSA-N 349.221 4.526 0 40 EJAB Cc1c(C(=O)N[C@@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)oc2c(Cl)cccc12 102282534 VJCZSCBJRSKIRM-KYEXWDHISA-N 331.843 4.949 0 40 EJAB C[C@@H](NC(=O)C1c2ccccc2Oc2ccccc21)[C@@H]1C[C@H]2CC[C@H]1C2 102606962 NWULNUHXJNDWKR-DRMAHVMPSA-N 347.458 4.865 0 40 EJAB CN(C[C@H](O)c1ccccc1)[C@H](c1ccccc1)c1ccc(F)cc1 105712584 AZLVFMJMZBMGFL-FCHUYYIVSA-N 335.422 4.581 0 40 EJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(OC)cc1 113951855 PNHMMZCCAWCZCF-HXUWFJFHSA-N 335.403 4.645 0 40 EJAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)N[C@@H](C)c1cc(C)ccc1C 113970608 VLBFNSMPFPMDJI-AZUAARDMSA-N 339.479 4.955 0 40 EJAB O=C(c1ccc(Br)cc1)c1ccc2c3c(cccc13)CC2 158724025 WZNCEVRRAVVBFP-UHFFFAOYSA-N 337.216 4.932 0 40 EJAB CC[C@@H](NC(=O)c1ccc(OC)c(F)c1)c1ccc2c(c1)CCCC2 223141455 FZZQPRRPMQQVLI-LJQANCHMSA-N 341.426 4.594 0 40 EJAB O=C(CCCOc1ccccc1)Nc1ccc2c3c(cccc13)CC2 224142613 PCOJNXMHHXUFDW-UHFFFAOYSA-N 331.415 4.736 0 40 EJAB Cc1ccc(OCCNC(=O)CCc2cccc3ccccc23)c(C)c1 224940198 VRWHJQKLGGYOSA-UHFFFAOYSA-N 347.458 4.584 0 40 EJAB Cc1ccccc1OCCNC(=O)[C@H](C)Cc1cccc2ccccc12 224941776 UXXYOAAOOSXUIU-GOSISDBHSA-N 347.458 4.522 0 40 EJAB CC(C)c1ccccc1NC(=O)Cc1cccc(Br)c1 225615135 RUBOLELGUHZZDL-UHFFFAOYSA-N 332.241 4.754 0 40 EJAB CC[C@@H](NC(=O)c1ccc(OC)c(Cl)c1)c1ccc(OC)c(C)c1 225780959 REYIPACTSGVBQN-MRXNPFEDSA-N 347.842 4.547 0 40 EJAB CN1CCC[C@@H]1CCOc1ccccc1Oc1ccc(Cl)cc1 257204968 AXBOCMUOFVYRHJ-MRXNPFEDSA-N 331.843 4.995 0 40 EJAB CCCCOc1ccc(C2=N/C(=C/c3cccc(C)c3)C(=O)O2)cc1 409003538 IAPDXDIZXXCDRL-XMHGGMMESA-N 335.403 4.518 0 40 EJAB CC(C)Cn1c(Cc2ccccc2)nnc1SCc1ccccc1 409093760 BAVBSUZKKIJVDC-UHFFFAOYSA-N 337.492 4.817 0 40 EJAB Cc1ccc(S[C@@H](C)C(=O)NCCSC2CCCCC2)cc1 409169736 YYNVYGGZLOUOKK-HNNXBMFYSA-N 337.554 4.658 0 40 EJAB COc1cc2ccccc2cc1C(=O)Nc1ccc(N2CCCC2)cc1 545728 WOHXYOGGCXGTJU-UHFFFAOYSA-N 346.430 4.701 0 40 EJAB COc1cc(NCCN(CC(C)C)C2CCCC2)c2ncccc2c1 1656132 JOVSTYCNHZZENS-UHFFFAOYSA-N 341.499 4.556 0 40 EJAB CCCOC(=O)c1c(NC(=O)c2cccs2)sc2c1CCCC2 2756914 WOQQUNIZTUBKAO-UHFFFAOYSA-N 349.477 4.508 0 40 EJAB O=S(=O)(Cc1ccccc1)NC1CCCCCCCCCCC1 3163439 BBEXJYQHPJQIDK-UHFFFAOYSA-N 337.529 4.779 0 40 EJAB Cn1/c(=N\C(=O)/C=C/c2ccccc2)sc2c3ccccc3ccc21 4134773 FOYYMTMFKLLJIR-LOINWKKQSA-N 344.439 4.534 0 40 EJAB Cc1ccc(C2=Nc3ccc(F)cc3C(c3cccs3)=NN2)cc1 4168548 BARWFVKPXOLMIB-UHFFFAOYSA-N 335.407 4.630 0 40 EJAB CCC(CC)C(=O)OCCCCCCCOC(=O)C(CC)CC 4684092 TXBLEFMJLPBWGE-UHFFFAOYSA-N 328.493 4.896 0 40 EJAB COc1ccccc1C(=O)Nc1nc(-c2ccccc2Cl)cs1 5559005 AOVIUVIJAIDMTQ-UHFFFAOYSA-N 344.823 4.724 0 40 EJAB CO[C@@H]1CCC2(Oc3cccc4cccc(c34)O2)c2cccc(O)c21 6483196 VOUMQFKWNJSDCU-MRXNPFEDSA-N 334.371 4.651 0 40 EJAB biogenic,in-vitro Cc1ccc2nc(SCC(=O)c3c(C)[nH]c4ccccc34)[nH]c2c1 6536949 OLATYNREAIJLCC-UHFFFAOYSA-N 335.432 4.636 0 40 EJAB aggregator COc1ccc(Cl)cc1CSc1nnc(-c2ccoc2C)o1 7166899 XTXJWWCEDJOXMX-UHFFFAOYSA-N 336.800 4.592 0 40 EJAB O=C(c1cccs1)N(C(=O)N1CCCCC1)c1cccc(Cl)c1 10254615 KIQFNNBFXZCPIS-UHFFFAOYSA-N 348.855 4.654 0 40 EJAB Cc1ccc2c(c1)S[C@@H](C(=O)Nc1ccccc1C(C)(C)C)C2 11429893 MMCXLXUSYVJVJR-GOSISDBHSA-N 325.477 4.948 0 40 EJAB COc1cc(/C=C/c2ccncc2)ccc1OC(=O)c1ccc(F)cc1 11858493 FSDUCCIJKCRFKK-NSCUHMNNSA-N 349.361 4.619 0 40 EJAB Cc1oc(-c2ccc(F)cc2)nc1C(=O)Nc1c[nH]c2ccccc12 12192844 UHDUEXMIOFQAIJ-UHFFFAOYSA-N 335.338 4.523 0 40 EJAB C[C@@H](O)c1nc2ccccc2n1CCCOc1ccc2ccccc2c1 13566036 ATBUORYSCCMVFT-MRXNPFEDSA-N 346.430 4.712 0 40 EJAB O=C(Nc1cc(Br)ccc1C1CC1)c1ccc(F)cc1 13945503 DOIIMMPWFGANGP-UHFFFAOYSA-N 334.188 4.718 0 40 EJAB COc1ccccc1C(=O)N[C@@H](c1ccccc1)c1ccc(C)cc1 14577222 KSDRBQXYWDMKQQ-NRFANRHFSA-N 331.415 4.523 0 40 EJAB O=C(Nc1nc(-c2ccc3c(c2)CCC3)cs1)c1cccs1 14603076 BRBADYZDFRWUON-UHFFFAOYSA-N 326.446 4.613 0 40 EJAB Oc1cc2c(cc1Nc1ncnc3c1oc1ccccc13)CCCC2 17207703 YSLISKLGQRSOMS-UHFFFAOYSA-N 331.375 4.704 0 40 EJAB CSc1ccccc1C(=O)NCCOc1ccc(C(C)(C)C)cc1 18151162 MLCCPDYHFHHBED-UHFFFAOYSA-N 343.492 4.515 0 40 EJAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N[C@H](C)CCc1ccccc1 20491662 GWPVFUNLYDXSLT-YLJYHZDGSA-N 339.479 4.598 0 40 EJAB COc1ccccc1C(=O)Nc1nc2c(s1)C[C@@H](C(C)(C)C)CC2 27662827 VGFIXNVWAGYMSR-LBPRGKRZSA-N 344.480 4.555 0 40 EJAB O=C(CCc1cccc(Cl)c1Cl)N1CCc2ccccc2C1 32477373 LQGUPDAUICFXKW-UHFFFAOYSA-N 334.246 4.511 0 40 EJAB CCCC[C@H](CC)CN1C(=O)c2[nH]nc(C)c2[C@@H]1c1ccccc1F 36617829 HDMLENWBXXIRFQ-LIRRHRJNSA-N 343.446 4.619 0 40 EJAB COc1cccc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)c1 39860653 FQZXBKGXZNBFEQ-GDNBJRDFSA-N 345.807 4.590 0 40 EJAB COc1ccc([C@@H](C)NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1 44883162 ALJBYPSDZLNYJN-CHWSQXEVSA-N 349.883 4.707 0 40 EJAB COc1ccc(Cl)cc1C(=O)Nc1ccc(-c2ccccc2)cn1 48290754 JZHLXDINXZGJIR-UHFFFAOYSA-N 338.794 4.663 0 40 EJAB Cc1ccc(CC(=O)N2CCC[C@H]2c2nc3ccccc3s2)s1 57045243 YJDQXMYHBMXYCB-HNNXBMFYSA-N 342.489 4.572 0 40 EJAB OCCCCCSc1nn(-c2ccc(Cl)cc2)c(=S)s1 58175152 IMTANDAVBVYNBG-UHFFFAOYSA-N 346.930 4.571 0 40 EJAB NC(=O)c1cccc(-c2nc(-c3ccc4ccccc4c3)cs2)c1 60844875 YCAYIZRGKWBONV-UHFFFAOYSA-N 330.412 4.729 0 40 EJAB CCn1c([C@@H]2CCCN2C(=O)Nc2ccccc2C)nc2ccccc21 65606852 IAENRHCHWNORAR-IBGZPJMESA-N 348.450 4.734 0 40 EJAB O=[S@@](Cc1csc(C2CCCC2)n1)Cc1ccc(Cl)s1 69813110 VLXBFRJEQBPJFO-HXUWFJFHSA-N 345.942 4.965 0 40 EJAB CC[C@@H](Oc1ccccc1F)C(=O)N[C@H](CC)c1ccc(C)cc1 113960147 FTKRKYNYDXTSAG-QZTJIDSGSA-N 329.415 4.559 0 40 EJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCc1ccc2ccccc2c1 222796203 BWRLRRZOCANSGW-JOCHJYFZSA-N 347.458 4.930 0 40 EJAB Cc1ccc(O[C@H](C)C(=O)NCc2cccc3ccccc23)cc1C 222877243 AKGXCUPADFMRKS-QGZVFWFLSA-N 333.431 4.540 0 40 EJAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCSC1CCCC1 223009543 AAOIAZPXMAOCGN-OAHLLOKOSA-N 349.540 4.543 0 40 EJAB CCc1ccc([C@H](C)NC(=O)[C@H](CC)Oc2ccc(C)cc2C)cc1 223392364 XSISOVUNXPGCHO-PXNSSMCTSA-N 339.479 4.901 0 40 EJAB CCOc1ccc(C(=O)N[C@@H](C)c2cc(C)ccc2C)cc1Cl 223958093 XUBDPATXEOFPJR-AWEZNQCLSA-N 331.843 4.847 0 40 EJAB CCC[C@H](C)NC(=O)c1ccc(OCC)c(COc2ccccc2)c1 224367162 DSZZAWWJNCJHDZ-INIZCTEOSA-N 341.451 4.583 0 40 EJAB Cc1ccc(C[C@@H](Oc2ccc3ccccc3c2)C(=O)O)cc1Cl 225080813 SWNIJMWFLACROM-LJQANCHMSA-N 340.806 4.876 0 40 EJAB CC[C@@H](C)Oc1ccc(NC(=O)C2(OC)CCC(C)CC2)cc1C 225641351 BHUASROVAAYMBZ-CZDRUDQFSA-N 333.472 4.706 0 40 EJAB C[C@H](Cc1cc2ccccc2o1)NC(=O)c1c(F)cccc1Cl 253473051 RDWKESQTXKAVDF-LLVKDONJSA-N 331.774 4.586 0 40 EJAB Cc1cc(C(F)(F)F)n2nc(C(F)(F)F)c(-c3ccccc3)c2n1 409225625 NGWCQKRUHSJKRA-UHFFFAOYSA-N 345.246 4.742 0 40 EJAB CO[C@H](C)c1nc(Cc2nc(C3CCC(C)(C)CC3)no2)cs1 585084299 CXZZPMUVHKPGND-LLVKDONJSA-N 335.473 4.508 0 40 EJAB CSCCc1ccccc1NC(=O)c1coc2c(C)cccc12 1534582897 TXARTSVVAUTYES-UHFFFAOYSA-N 325.433 4.899 0 40 EJAB Cc1ccc2nsnc2c1NC(=O)c1ccc(Cl)c(Cl)c1 97703 XYOULMFXTYXCIA-UHFFFAOYSA-N 338.219 4.559 0 40 EJAB COc1ccc(Cl)cc1NC(=O)COc1ccc2ccccc2c1 323935 VJUSTWQGFDBZFY-UHFFFAOYSA-N 341.794 4.519 0 40 EJAB CC(=O)c1c(C)n(-c2cccc(C(F)(F)F)c2)c2ccc(O)cc12 348570 DGAUEFLNPRRCDM-UHFFFAOYSA-N 333.309 4.866 0 40 EJAB CC(C)(C)c1cc(C(=O)Nc2nccs2)cc(C(C)(C)C)c1O 386968 FQWVVMGMCGXFKB-UHFFFAOYSA-N 332.469 4.696 0 40 EJAB CC1(C)C[C@@H]([C@@H](CCNCc2ccco2)Cc2ccccc2)CCO1 1817951 VGFDASKIEQFNNO-PMACEKPBSA-N 341.495 4.823 0 40 EJAB biogenic O=C(/C=C/c1cccc(Cl)c1)Nc1ccc(Br)cc1 1952329 XVRGGGJYIKSPPT-RUDMXATFSA-N 336.616 4.754 0 40 EJAB Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(OCC(C)C)cc2)c1 2768995 ISKOLJIEWLACDH-QGZVFWFLSA-N 325.452 4.829 0 40 EJAB C[C@@H](Nc1ccc2c(c1)-c1ccccc1C2)C(=O)NCC1CCCCC1 3336992 DWVLGEBMMQLBQB-MRXNPFEDSA-N 348.490 4.755 0 40 EJAB Cc1ccccc1NC(=O)CNc1ccc(Cl)c(C(F)(F)F)c1 3408842 SXESSXAFWGKHHG-UHFFFAOYSA-N 342.748 4.718 0 40 EJAB CC[C@H]1CCCCN1c1cc(C)nc2cc(-c3cccc(C)c3)nn12 4969551 DHLLUTCBIJFEBI-SFHVURJKSA-N 334.467 4.782 0 40 EJAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](C)c1ccc(F)cc1 5471404 KPDXQHLLSLPLQB-GJZGRUSLSA-N 343.442 4.768 0 40 EJAB O=C(CC12CC3CC(CC(C3)C1)C2)NC12CC3CC(CC(C3)C1)C2 5557313 BRRPODXVMIZFMU-UHFFFAOYSA-N 327.512 4.678 0 40 EJAB COc1ccc(OC)c(NC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)c1 6839879 FPBXFNMWBBXMTF-GOSISDBHSA-N 347.842 4.736 0 40 EJAB O=C(CN1CC=C(c2ccccc2)CC1)Nc1ccc2ccccc2c1 7651200 ADQQWFYXVPNYEE-UHFFFAOYSA-N 342.442 4.568 0 40 EJAB CCc1ccc(C[C@@H]2SC(=O)N(c3ccccc3Cl)C2=O)cc1 8085500 SZOMKAYWIPVKJS-INIZCTEOSA-N 345.851 4.714 0 40 EJAB Cc1ccc(CCN2CCOc3nc4c(C)c(C)ccc4cc3C2)cc1 13563789 IRHABWMWYVEMAP-UHFFFAOYSA-N 346.474 4.597 0 40 EJAB COc1ccc(C)cc1NC(=O)[C@H](C)Oc1ccc2ccccc2c1 13708330 NNAZXFBDTYBGMC-HNNXBMFYSA-N 335.403 4.563 0 40 EJAB O=C(CSCc1ccc(Cl)cc1)Nc1cccc2ncccc12 14168484 OBFCREZSYHNPAV-UHFFFAOYSA-N 342.851 4.760 0 40 EJAB Cc1cc(C)cc(NC(=O)CCc2ncc(-c3ccc(F)cc3)o2)c1 14265821 YHZIIUSAONKGNW-UHFFFAOYSA-N 338.382 4.669 0 40 EJAB O=C(COc1ccc2ccccc2c1)Nc1ccc(O)c2ccccc12 15497631 VGDQSQAPNDIXAO-UHFFFAOYSA-N 343.382 4.716 0 40 EJAB O=C(Nc1ccccc1)c1cc(Br)c2ccccc2c1O 16489722 WQWSWYAOPRFGKS-UHFFFAOYSA-N 342.192 4.560 0 40 EJAB O=C(CCSc1ccccc1)Nc1nnc(C2CCCCC2)s1 16722203 SUKRVZWBBZKVAQ-UHFFFAOYSA-N 347.509 4.707 0 40 EJAB O=C(Nc1ccc(Br)cc1F)c1ccc2c(c1)CCCC2 17338479 IPDFBGHFOIOFTJ-UHFFFAOYSA-N 348.215 4.719 0 40 EJAB Cc1cccc(C)c1Oc1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 18243816 IPUZYYXWEIVKTB-OALUTQOASA-N 347.414 4.551 0 40 EJAB O=C(Nc1ccc(C(=O)O)c(Cl)c1)c1ccc(Cl)c(Cl)c1 20138709 NJFGZJNOEIMNGB-UHFFFAOYSA-N 344.581 4.597 0 40 EJAB O=C(CSCc1ccc(Cl)s1)Nc1cccc2ncccc12 32675404 UAPDZLFCUPAMEI-UHFFFAOYSA-N 348.880 4.822 0 40 EJAB C[C@@H](c1ccc(F)cc1)N(C)CCCc1nc(-c2cccs2)no1 32843160 VPAVAVINIUKVBX-ZDUSSCGKSA-N 345.443 4.563 0 40 EJAB C[C@H](NC(=O)Nc1ccccc1OC(F)(F)F)c1cccs1 40023914 CLHDULUVZRGSBQ-VIFPVBQESA-N 330.331 4.529 0 40 EJAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(OC)c(Cl)c1 44884518 YMSNOMLPPWPIDV-MRXNPFEDSA-N 347.842 4.762 0 40 EJAB Cc1cc(N[C@H](C)c2nnc(-c3ccccc3)o2)ccc1N1CCCC1 57964467 VQUKNCHZRNAISA-MRXNPFEDSA-N 348.450 4.818 0 40 EJAB Cc1noc(C)c1COC(=O)/C=C/c1cccc(-c2ccccc2)c1 58825459 CQVZQLQOWPVEJY-VAWYXSNFSA-N 333.387 4.715 0 40 EJAB Cc1c(C(=O)N2CC=C(c3ccc(O)cc3)CC2)oc2c(C)cccc12 65042990 NTRZTTRCGGJEAW-UHFFFAOYSA-N 347.414 4.685 0 40 EJAB Cc1cc(Cl)ccc1NC(=O)c1cnc(-c2ccccc2)nc1C 75437263 OMQAZEGAFQSSEF-UHFFFAOYSA-N 337.810 4.666 0 40 EJAB O=C(CSC1CCCC1)N(CCc1cccs1)Cc1ccco1 96025728 LFTPBOIAHRAFJR-UHFFFAOYSA-N 349.521 4.588 0 40 EJAB Cc1cccc2[nH]c3c(N4C[C@]5(C)C[C@@H]4CC(C)(C)C5)ncnc3c12 101157182 FUCNLZHJTDUZOV-LHSJRXKWSA-N 334.467 4.825 0 40 EJAB O=C(O)c1cccc2c1N[C@@H](c1ccc(F)cc1)[C@@H]1[C@@H]3CC[C@@H](C3)[C@@H]21 222088141 XRZXZBRJZSEQSF-HOHJNREFSA-N 337.394 4.820 0 40 EJAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N[C@H](C)CCc1ccccc1 222990695 ALOYHCHPHIOXRG-NQIIRXRSSA-N 339.479 4.598 0 40 EJAB COc1cc(C)c([C@@H](C)NC(=O)c2ccccc2F)cc1C(C)C 223270792 CAIDHRUZNFFNEH-CQSZACIVSA-N 329.415 4.757 0 40 EJAB Cc1ccc(NC(=O)CSCc2ccc(Cl)cc2F)cc1C 223526007 RWCWBXDGVUFPCM-UHFFFAOYSA-N 337.847 4.968 0 40 EJAB CCOCc1cc(C(=O)Nc2cccc(Cl)c2C)ccc1OCC 224695108 XFCQHUHYGGMPJS-UHFFFAOYSA-N 347.842 4.836 0 40 EJAB Cc1ccc([C@@H](NC(=S)Nc2cccc(C)n2)c2ccccc2)cc1 225512607 BIYXKICBTRISED-FQEVSTJZSA-N 347.487 4.774 0 40 EJAB Cc1ccccc1[C@H](NC(=S)Nc1ccc(F)cc1F)C(C)C 225760943 GWQFKOJUCRZXLD-QGZVFWFLSA-N 334.435 4.957 0 40 EJAB O=C(Nc1cccc2ccccc12)c1snnc1-c1cccs1 225787980 NUHKRVGVWCOZGN-UHFFFAOYSA-N 337.429 4.672 0 40 EJAB CCc1nc2cc(C(=O)Nc3cc(Cl)cc(Cl)c3)ccc2n1C 225896676 DVBSIQLLUKTUPI-UHFFFAOYSA-N 348.233 4.695 0 40 EJAB O=C(Cc1cc2ccccc2n1Cc1ccccc1)Nc1ccccc1 54942 MAYNDIPDIDGRQB-UHFFFAOYSA-N 340.426 4.871 0 40 EJAB CCCc1nc2sc3c(N(CC)CC)ncnc3c2c2c1CCC2 541437 PIQGZUMJPGWQGR-UHFFFAOYSA-N 340.496 4.527 0 40 EJAB O=C(Nc1ccccc1)c1ccc(-c2cc3ccccc3oc2=O)cc1 558471 GJTNQJYEQADOCF-UHFFFAOYSA-N 341.366 4.712 0 40 EJAB COc1ccc2c(c1)CCc1sc(Nc3ccc(F)cc3)nc1-2 979468 DXLZRWZIJRREHQ-UHFFFAOYSA-N 326.396 4.800 0 40 EJAB Cc1cc2nccc([C@@H](C)Oc3ccc(-c4ccccc4)c(F)c3)n2n1 1383637 KMULIFTYIYENHD-OAHLLOKOSA-N 347.393 4.984 0 40 EJAB CC(C)c1ccc(S[C@@H]2CCS(=O)(=O)c3sccc32)cc1 1398519 GFEPPRAVCAUANW-OAHLLOKOSA-N 338.519 4.882 0 40 EJAB CCCCN(CCCC)CCOC(=O)Nc1ccccc1Cl 1671717 ULHLCZXVFQNMRM-UHFFFAOYSA-N 326.868 4.791 0 40 EJAB Cc1ccc(NC(=S)Nc2ncccc2OCc2ccccc2)cc1 2585298 NCDCMUDMAQZCCO-UHFFFAOYSA-N 349.459 4.778 0 40 EJAB C[C@H]1CCc2c(sc3ncnc(OCc4ccccc4F)c23)C1 2640077 OMWXUUIDICARNA-NSHDSACASA-N 328.412 4.534 0 40 EJAB Cn1c(SCc2cccc(Cl)c2)nnc1-c1ccc(F)cc1 2640676 HKJKWWXPVSUEGA-UHFFFAOYSA-N 333.819 4.567 0 40 EJAB COc1ccc(CNCC[C@@H](CCC(C)C)c2ccco2)cc1OC 4084398 NBBCJJMEMKWYAC-GOSISDBHSA-N 345.483 4.997 0 40 EJAB biogenic CC(=O)Nc1nc(C)c(-c2csc(Nc3ccc(C)cc3)n2)s1 4116998 FLVVAYJIHWYZCI-UHFFFAOYSA-N 344.465 4.585 0 40 EJAB O=C(CCSCc1ccc(Cl)c(Cl)c1)Nc1ccncc1 4973389 NSDBLZWHPOTODD-UHFFFAOYSA-N 341.263 4.650 0 40 EJAB O=C(O)c1ccccc1C(=O)NC1CCCCCCCCCCC1 5583648 OPOHYQKXXJIKIF-UHFFFAOYSA-N 331.456 4.788 0 40 EJAB CSc1cccc(NC(=S)Nc2ccc(OC(F)F)cc2)c1 5939844 AMGHGGXCZKRFCM-UHFFFAOYSA-N 340.420 4.819 0 40 EJAB CCOc1cc(C(=O)Nc2ccccc2C)cc(Cl)c1OCC 6844730 VAKQTMKGYVYIIX-UHFFFAOYSA-N 333.815 4.698 0 40 EJAB Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)N2CCC(C)CC2)c1 7389223 GNGUTLBKOLBDQP-NRFANRHFSA-N 336.479 4.715 0 40 EJAB C[C@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)c1cccc(Cl)c1 9496087 UAHSYUOCYXSZSG-JTQLQIEISA-N 347.871 4.507 0 40 EJAB CC(C)c1ccc(-c2nc(C(=O)N3CCCCCC3)cs2)cc1 12822692 ISOUGRUGCYWRKA-UHFFFAOYSA-N 328.481 4.950 0 40 EJAB CCOc1c(Br)cc(Cl)cc1NC(=O)C1CCCC1 12998371 ZBEGYMJBBOLYNI-UHFFFAOYSA-N 346.652 4.630 0 40 EJAB Cc1ccc(OC(=O)c2cc3ccccc3o2)c(Br)c1 13137716 JGCLVZUDNXSOSE-UHFFFAOYSA-N 331.165 4.723 0 40 EJAB Cc1ccc(NC(=O)Cc2sc(C)nc2-c2cccs2)c(C)c1 15840138 VKVTXAUBVMXONQ-UHFFFAOYSA-N 342.489 4.978 0 40 EJAB O=C(NC1CCCCC1)c1cccnc1Nc1ccccc1Cl 22072938 BQAVSRSMGLPSQT-UHFFFAOYSA-N 329.831 4.541 0 40 EJAB COC(=O)c1cc(Nc2cccc(C(F)(F)F)c2)c2ccccc2n1 38486585 ZKDBVSXYKFFKIE-UHFFFAOYSA-N 346.308 4.784 0 40 EJAB CCCC(=O)Nc1ccc(CNCc2ccc(OC(C)C)cc2)cc1 48714155 VMTHNLJVFZDJML-UHFFFAOYSA-N 340.467 4.502 0 40 EJAB COc1ccc(NC(=O)Nc2ccc(Br)c(C)c2)c(C)c1 51355934 JGOQYFKIUGHELA-UHFFFAOYSA-N 349.228 4.719 0 40 EJAB CCc1ccc([C@@H](C)NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 78457924 ITSVYAJXMITJBA-OAHLLOKOSA-N 345.870 4.775 0 40 EJAB CC[C@@H](N[C@@H](C)c1ccc(-n2ccnc2C)cc1)c1c(C)noc1C 90886535 DAVNJCKUTULPKH-ORAYPTAESA-N 338.455 4.587 0 40 EJAB O=C(Nc1ccc(-c2cnco2)cc1)c1ccc(Cl)c(Cl)c1 97444211 XNDMMPFTIDPRBC-UHFFFAOYSA-N 333.174 4.901 0 40 EJAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)Nc1cccc(N2Cc3ccccc3C2)c1 103520683 PZOOPWGNIRNKHL-ABSDTBQOSA-N 346.474 4.972 0 40 EJAB Cc1nc(C(=O)Nc2c(C(C)C)c(C)nc3ccccc23)c(C)s1 191956268 KETQIWGAKARGOS-UHFFFAOYSA-N 339.464 4.992 0 40 EJAB Cc1ccc([C@H](NC(=O)CCc2ccc(F)cc2)c2ccccc2)cc1 223038836 JJOZKRSFIBUWMC-HSZRJFAPSA-N 347.433 4.973 0 40 EJAB CC[C@@H](Oc1ccccc1C)C(=O)N[C@@H](C)c1cc(C)c(C)cc1C 223464815 MWNVQEJNAUOADR-AZUAARDMSA-N 339.479 4.955 0 40 EJAB CCCC[C@H](CC)CNC(=O)c1ccc(CN2CCC(C)CC2)cc1 224331104 YIGCPSKLMAROCQ-IBGZPJMESA-N 344.543 4.865 0 40 EJAB Cc1cccc(C)c1C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)O 225030921 CHUJAZCBHDKWNN-IBGZPJMESA-N 326.436 4.676 0 40 EJAB Cc1ccc(O[C@H](Cc2cc(Cl)cc(Cl)c2)C(=O)O)cc1C 225091745 QIKYIHHUWLPWEQ-MRXNPFEDSA-N 339.218 4.685 0 40 EJAB CC(C)(C)c1ccc(-c2noc(-c3cc(N)ccc3Cl)n2)cc1 225172307 IZYLGPIRVJYMBZ-UHFFFAOYSA-N 327.815 4.937 0 40 EJAB CCCCCNC(=O)c1cccc(OCc2ccccc2Cl)c1 225777474 JJZCEXLDPCTNHO-UHFFFAOYSA-N 331.843 4.839 0 40 EJAB CCOc1ccc(Br)cc1C(=O)Nc1ccc(CC)cc1 408586136 LKMDAHBCNLMMBZ-UHFFFAOYSA-N 348.240 4.663 0 40 EJAB O=C(O)c1cc(-c2ccccc2)nc2c(F)ccc(Br)c12 1857793833 DOQCTCQYESVXAG-UHFFFAOYSA-N 346.155 4.502 0 40 EJAB COc1ccc(CN(C(=O)c2ccco2)c2ccc(C)c(C)c2)cc1 411896 WMKNIQZBFLACNV-UHFFFAOYSA-N 335.403 4.752 0 40 EJAB O=Cc1cn(Cc2ccc(Cl)c(Cl)c2)nc1-c1ccccc1 2558358 SPJMDGDREMEKRM-UHFFFAOYSA-N 331.202 4.718 0 40 EJAB CNC(=O)c1sccc1SCc1ccc(Cl)cc1Cl 3047318 GPAWWLCINUJYGM-UHFFFAOYSA-N 332.277 4.707 0 40 EJAB CN(c1ccccc1N)c1cc(-c2ccccc2)nn1-c1ccccc1 3374935 IEILZUQBTQSDPV-UHFFFAOYSA-N 340.430 4.889 0 40 EJAB COc1ccc(-c2cn(-c3ccc(C)c(F)c3)c(=S)[nH]2)cc1OC 3906917 ZORWWVPXQUCCGI-UHFFFAOYSA-N 344.411 4.667 0 40 EJAB Clc1ccc2[nH]c(C3CCN(Cc4ccccc4)CC3)nc2c1 5626368 OZUGAJOHPMGBEQ-UHFFFAOYSA-N 325.843 4.596 0 40 EJAB CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2c(C)cc(C)cc2C)c1 5787043 UWWRMQRUEFSBPA-MRXNPFEDSA-N 341.476 4.934 0 40 EJAB CC(C)CNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 5907898 MXRZTOJSGFKFCN-UHFFFAOYSA-N 338.838 4.941 0 40 EJAB Cc1cc2oc(=O)cc(CN(C)Cc3ccccc3F)c2cc1Cl 7421623 VKSUKTXYJYINFQ-UHFFFAOYSA-N 345.801 4.526 0 40 EJAB CCOc1cc(CNC2C3CC4CC(C3)CC2C4)cc(Cl)c1OC 8253646 CHIVEFCDJPVISA-UHFFFAOYSA-N 349.902 4.662 0 40 EJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(F)c(Cl)c1 8479008 ZYONJWGPPGUHMN-OAHLLOKOSA-N 342.197 4.929 0 40 EJAB COc1ccc(Cl)c2c(O)c(CN(C)C3CCCCC3)c(C)nc12 8717401 KJGYSKIHYOLBLR-UHFFFAOYSA-N 348.874 4.675 0 40 EJAB O=C(CCCc1nc2ccccc2s1)Nc1cccc2cccnc12 10912031 MLNYOOOXIQJVDF-UHFFFAOYSA-N 347.443 4.806 0 40 EJAB CCOCCOc1ccc(NCCOc2ccc(Cl)c(C)c2)cc1 19738426 JZNXYRUREAXYMR-UHFFFAOYSA-N 349.858 4.555 0 40 EJAB Cc1cc(-c2csc(-c3cccs3)n2)c(C)n1-c1ccon1 25666113 CBFDGTVZZBOMBQ-UHFFFAOYSA-N 327.434 4.934 0 40 EJAB Cc1cc2occ(CC(=O)N(C)[C@@H]3CCc4ccccc43)c2cc1C 27825215 FIWIJDROTYHDCI-HXUWFJFHSA-N 333.431 4.738 0 40 EJAB CC1=C(C)c2cccc[n+]2/C1=C\C=C/C=C1/C(C)=C(C)c2cccc[n+]21 31949874 WTSOMBFUKCBEQS-CLAABEEDSA-N 340.470 4.814 0 40 EJAB CC1(C)C(=O)N(c2ccccc2)C12c1ccccc1-c1ccccc12 38337823 VVZYVNAOJXWTLW-UHFFFAOYSA-N 325.411 4.984 0 40 EJAB O=C(Nc1nccs1)N[C@H](c1ccccc1)c1cc2ccccc2o1 42755476 CZWAOAGOLNIFAH-QGZVFWFLSA-N 349.415 4.800 0 40 EJAB Cc1ccc(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)cc1C 57412179 JKTBFDMIQBITBB-UHFFFAOYSA-N 325.799 4.599 0 40 EJAB CCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)cc1 58780575 VUXSFSSGNQPOET-UHFFFAOYSA-N 339.435 4.544 0 40 EJAB CC(C)(C)c1cn2nc(N[C@@H]3CCc4c(Cl)cccc43)sc2n1 69625235 NPEKHYIGOCNXIS-CYBMUJFWSA-N 346.887 4.841 0 40 EJAB O=C(Nc1nccs1)N1CCC[C@@H]1Cc1cccc2ccccc12 78716893 NOFXJURIKGCJLM-MRXNPFEDSA-N 337.448 4.535 0 40 EJAB O=C(NCCc1cccc2ccccc12)c1[nH]c2ccccc2c1Cl 89873229 XITLDDCVOWRAIU-UHFFFAOYSA-N 348.833 4.947 0 40 EJAB O=[S@@](Cc1cccc(NC2CCCCCCC2)c1)C1CCOCC1 92170066 SYWKWQMMTNXUKU-XMMPIXPASA-N 349.540 4.639 0 40 EJAB CC[C@H](N[C@@H](C)c1ccc(Br)s1)c1ccncc1 95423134 ZGNREPSBZXWIQI-JQWIXIFHSA-N 325.275 4.708 0 40 EJAB Cc1ccc(C2=C[C@@H](c3cccc(Cl)c3)n3ncnc3N2)cc1C 102047864 XBCIYAWXZBYXSS-SFHVURJKSA-N 336.826 4.604 0 40 EJAB Fc1ccccc1-c1nc2cc(Cl)cc(Br)c2[nH]1 216914431 KGOKYOHJNPRYCS-UHFFFAOYSA-N 325.568 4.785 0 40 EJAB C[C@H](NC(=O)/C=C/c1ccccc1Cl)c1ccc2c(c1)CCC2 223149701 HRTOXSBEKCUNJH-GETOMWPZSA-N 325.839 4.719 0 40 EJAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N(C)Cc2ccccc2)c1 223715859 FYGKNWJPWOWHEE-KRWDZBQOSA-N 325.452 4.544 0 40 EJAB O=C(Cc1ccc(-c2ccccc2)cc1)NCCSC1CCCC1 224983839 NXGZQJUURAEVDP-UHFFFAOYSA-N 339.504 4.688 0 40 EJAB Cc1ccc(C[C@@H](Oc2ccc(C(C)(C)C)cc2)C(=O)O)c(C)c1 225025516 IQUZEABBOZMXFJ-LJQANCHMSA-N 326.436 4.676 0 40 EJAB O=C(CCc1ccccc1F)NCCCc1cccc2ccccc12 225620399 KNRIHFOBYXXZMC-UHFFFAOYSA-N 335.422 4.661 0 40 EJAB CC[C@@](C)(OC)C(=O)Nc1ccc(OCC(C)C)c2ccccc12 225792139 SLBKISVLSOZXAT-HXUWFJFHSA-N 329.440 4.628 0 40 EJAB CCOc1ccc(NC(=O)[C@@]2(OC)CCC[C@H](C)C2)c2ccccc12 225809820 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332.831 4.731 0 40 EJAB O=C(c1cccc(COc2cccc3ccccc23)c1)N1CCCC1 484287 BQALUBOIUUIRLS-UHFFFAOYSA-N 331.415 4.655 0 40 EJAB CCc1nc2ccccc2c(C(=O)Nc2ccc(F)c(F)c2)c1C 2643308 GYVIXNKRFKAZIC-UHFFFAOYSA-N 326.346 4.636 0 40 EJAB Clc1ccccc1-c1nc2ccccc2n1OCc1ccccc1 3052843 ANBYRJGWUKTVQO-UHFFFAOYSA-N 334.806 4.986 0 40 EJAB c1ccc2c(OCCCCCCNC[C@H]3CCCO3)cccc2c1 4859579 MXKMAEAINHFLGT-LJQANCHMSA-N 327.468 4.548 0 40 EJAB Cc1cc(OCc2noc(-c3ccccc3F)n2)cc(C)c1Cl 6747911 JHQLMTDWCVMMNV-UHFFFAOYSA-N 332.762 4.725 0 40 EJAB CCOc1ccc(NC(=O)c2sc(-c3cccs3)nc2C)cc1 7061628 IKHKPKXKWCMTHW-UHFFFAOYSA-N 344.461 4.831 0 40 EJAB COc1ccc(Cl)cc1NC(=O)COc1ccccc1C(C)(C)C 7277055 YHELICPHXHKOFX-UHFFFAOYSA-N 347.842 4.664 0 40 EJAB CCOc1ccccc1C(=O)N(Cc1ccco1)Cc1cccs1 9204474 CYEXOCZCCCSXNL-UHFFFAOYSA-N 341.432 4.582 0 40 EJAB CCN(c1ccccc1)c1ncnc2c1cnn2-c1cc(C)cc(C)c1 9573695 LUEBTNKEADUWGP-UHFFFAOYSA-N 343.434 4.590 0 40 EJAB Cc1cccc(COc2ccccc2C(=O)Nc2ccccc2O)c1 12765420 TZMITNKHCKEVNL-UHFFFAOYSA-N 333.387 4.532 0 40 EJAB CC(C)(C)C(=O)Nc1cccc(NC(=O)Cc2ccccc2Cl)c1 12765602 QWGAAXGTOLZGKG-UHFFFAOYSA-N 344.842 4.506 0 40 EJAB C[C@H](NC(=O)Nc1ccc(F)cc1F)c1ccc2c(c1)CCCC2 18174143 VTGCMURHEQVEEH-LBPRGKRZSA-N 330.378 4.726 0 40 EJAB CC(C)c1ncc(CN[C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2c2ccccc2)cn1 19454164 KWOGUJMPTNNLDT-WOZUAGRISA-N 335.495 4.662 0 40 EJAB COc1ccc(C2=Nc3c(C)noc3C[C@H](c3ccccc3)C2)cc1 19872796 ADIVBMSEPFYXRE-QGZVFWFLSA-N 332.403 4.842 0 40 EJAB CC(C)c1ccccc1O[C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 20048557 VYAKBGHKQDNIST-BZSISCHUSA-N 341.495 4.662 0 40 EJAB Cc1ccc(C)c(O[C@H](C)C(=O)N[C@H](CC(C)C)c2ccccc2)c1 20108263 PRGLFZBRJBSBMU-UYAOXDASSA-N 339.479 4.974 0 40 EJAB Cc1ccc(NC(=O)c2cnc(Cl)c(Cl)c2)cc1C(F)(F)F 24872034 ZRULYJRAABTEOV-UHFFFAOYSA-N 349.139 4.968 0 40 EJAB O=C(c1cccc(Cl)c1)N(Cc1ccco1)Cc1cccs1 28231856 YAVJEADVMABWJQ-UHFFFAOYSA-N 331.824 4.837 0 40 EJAB Cc1cc2cc(NC(=O)c3csc(Br)c3)ccc2[nH]1 32818561 NZGJDOMBXZTBCD-UHFFFAOYSA-N 335.226 4.553 0 40 EJAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCCCc1cccc(C)c1 38756232 STYDRDOUHIEDTE-FQEVSTJZSA-N 339.479 4.518 0 40 EJAB COc1ccc([C@@H](C)NC(=O)CCc2ccc(C(C)(C)C)cc2)cc1 38756614 NSULODGZYQVOIM-MRXNPFEDSA-N 339.479 4.803 0 40 EJAB COc1ccccc1[C@@H](C)N(C)C(=O)CCc1ccccc1Cl 40069865 XYMSICDDTJNGIP-CQSZACIVSA-N 331.843 4.501 0 40 EJAB CCCCC1CCC(C(=O)NCCOc2cccc(C)c2C)CC1 41156601 IKPMIHMCTRDVRU-UHFFFAOYSA-N 331.500 4.795 0 40 EJAB Cc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)c(C)c1 59351617 SEQWKONFOURCEF-ZWKOTPCHSA-N 325.452 4.565 0 40 EJAB COc1ccc(Cl)c2c(Nc3cccc(C(=O)O)c3)cc(C)nc12 78401745 LIHWRQAAGXMSRF-UHFFFAOYSA-N 342.782 4.647 0 40 EJAB C[C@@H](C1CC1)N(C)C(=O)/C=C/c1ccc(Cl)c(C(F)(F)F)c1 84636250 VRHKOKBFKNGYFY-GOJXHPMJSA-N 331.765 4.629 0 40 EJAB CC[C@H](C)C(=O)Nc1nc(-c2ccccc2)c(Br)s1 89942157 VLHISMRYRBGUCI-VIFPVBQESA-N 339.258 4.557 0 40 EJAB C[C@@H](NC(=O)c1ccccc1SC(F)F)[C@H]1C[C@H]2CC[C@H]1C2 104655736 XRXZCEHZDOMXIX-OWTLIXCDSA-N 325.424 4.556 0 40 EJAB CCN(c1c(C)cccc1C)S(=O)(=O)c1ccc2ccccc2c1 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CCOc1cccc(NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)c1 13646015 QHDJYMXVXFIZHP-CQSZACIVSA-N 347.842 4.762 0 40 EJAB O=C(Cc1cccs1)NCc1ccc(Oc2ccc(F)cc2)cc1 16180509 NPRNRTREGVTUGL-UHFFFAOYSA-N 341.407 4.538 0 40 EJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H](CC)c1ccccc1 19934688 ITAJZJNNRGPDRV-MSOLQXFVSA-N 331.843 4.765 0 40 EJAB CSc1ccc(-c2noc(-c3c[nH]nc3-c3ccccc3)n2)cc1 23125439 KDJRLJIDCCJXFG-UHFFFAOYSA-N 334.404 4.516 0 40 EJAB O=C(Nc1nc2ccccc2s1)N1CCC[C@@H]1c1ccc(F)cc1 25314388 UXMDBPMOBDONJP-OAHLLOKOSA-N 341.411 4.804 0 40 EJAB CCCCOc1ccc(-c2cn3cc(Br)ccc3n2)cc1 54624990 DLQRZFLXSOIDFQ-UHFFFAOYSA-N 345.240 4.943 0 40 EJAB Cc1ccc2c(CN(C)Cc3ccc(Cl)cc3)cc(=O)oc2c1C 57380576 QVIWZDASLGRDSV-UHFFFAOYSA-N 341.838 4.695 0 40 EJAB Cc1ccccc1-c1nnc(-c2ccc(C(=O)OC[C@@H]3C[C@H]3C)cc2)o1 71827953 XTDBJNVREHZWHC-PBHICJAKSA-N 348.402 4.525 0 40 EJAB C[C@@H](N(C)C(=O)/C=C/c1csc(-c2ccc(F)cc2)n1)C1(C)CC1 75108216 NLGKYOCJXLETAL-MMQHEFTJSA-N 344.455 4.609 0 40 EJAB O=C1S/C(=C/C=C\c2ccccc2)C(=O)N1Cc1ccc(F)cc1 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CCOC[C@@H]1[C@@H](c2ccc(Cl)c(Cl)c2)C[C@@H]2CC[C@H]1N2C 3953158 VCVWXKKWDOJNIT-ZOMKSWQUSA-N 328.283 4.596 0 40 EJAB investigational CCCCN1C(=O)c2ccccc2[C@@H]1Sc1ccc(OC)cc1 4603298 PSOSDXRSDQFGNI-IBGZPJMESA-N 327.449 4.742 0 40 EJAB Fc1ccc(CCNC(=S)Nc2ccc(Cl)cc2Cl)cc1 6863246 BUYKHCOWXYLQHS-UHFFFAOYSA-N 343.254 4.662 0 40 EJAB C[C@H](NC(=O)c1ccccc1Br)c1cc2ccccc2o1 8062413 UPLLMYGMFLVRTN-NSHDSACASA-N 344.208 4.686 0 40 EJAB CCOc1cc(CNC2CC2)cc(Cl)c1OCc1ccc(F)cc1 8253986 UHZAVJTVSSKQHU-UHFFFAOYSA-N 349.833 4.709 0 40 EJAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(OC(C)C)cc1 8569233 YQZJFQJCBDUFOT-LJQANCHMSA-N 327.424 4.578 0 40 EJAB Cc1cccc(NCC(=O)Nc2ccc(Oc3ccccc3)cc2)c1 12545386 PFSYSADMVHGTSI-UHFFFAOYSA-N 332.403 4.838 0 40 EJAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(C(C)C)cc1 12978824 LONTZQYZAGIQQP-NRFANRHFSA-N 348.446 4.713 0 40 EJAB c1ccc(Oc2cccc(CN3CCN(C4CCCC4)CC3)c2)cc1 19831924 SZVBLAGYHSTQQQ-UHFFFAOYSA-N 336.479 4.539 0 40 EJAB CC[C@H](NC(=O)CCSCc1ccccc1)c1ccc(OC)cc1 20039735 KWNJMQLJBCIHCE-IBGZPJMESA-N 343.492 4.586 0 40 EJAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2ccc(OC(C)C)cc2)c1 20108412 LCORPCYBKVTJKS-QGZVFWFLSA-N 341.451 4.805 0 40 EJAB Cc1cccc(C(=O)Nc2cc(-c3ccc(CO)o3)ccc2Cl)c1 20137459 SOVXSUXBARZNKN-UHFFFAOYSA-N 341.794 4.653 0 40 EJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NC1CCCCCC1 20457792 MNPYESJFFNMQRR-FQEVSTJZSA-N 325.452 4.836 0 40 EJAB CC(=O)O[C@H]1C[C@@H]2CC[C@H]3[C@@H]4CCC[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1=O 25553569 FASYXTMQFUGQBE-DGWDJNBYSA-N 332.484 4.530 0 40 EJAB COc1ccc([C@H](NC(=O)c2ccc3[nH]c(C)c(C)c3c2)C2CC2)cc1 31257611 CWHLULTWLBYYFU-OAQYLSRUSA-N 348.446 4.674 0 40 EJAB O=C(CSCc1cccc2ccccc12)Nc1ccccc1F 32793815 YTSVAAJUSYZBLJ-UHFFFAOYSA-N 325.408 4.851 0 40 EJAB Cc1c(Cl)c(CN2CCc3sccc3C2)nc2ccccc12 32889936 LZMFKPXEJAXJSI-UHFFFAOYSA-N 328.868 4.816 0 40 EJAB Cc1ccc(-c2onc(C)c2C(=O)NCc2ccccc2Cl)cc1 35672050 PBCZSJSDHBXSQA-UHFFFAOYSA-N 340.810 4.542 0 40 EJAB C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1nc2c(s1)CCCC2 72280710 UILWFICANDANOM-NSHDSACASA-N 349.887 4.900 0 40 EJAB O=C(Nc1ccc(Oc2ncccn2)cc1)NC1CCCCCCC1 84614835 IOOLLBSARDJDTM-UHFFFAOYSA-N 340.427 4.503 0 40 EJAB Cc1ccc(CN2CCC3(CC[C@H]3N(C)Cc3ccco3)CC2)s1 96051559 CLVODXIOFMVEAT-LJQANCHMSA-N 344.524 4.526 0 40 EJAB C/C(=C\C(=O)Nc1c(C)nn(C(C)C)c1C)CCc1ccccc1 96291732 UPHCTQUGKHZXPQ-FYWRMAATSA-N 325.456 4.598 0 40 EJAB CC(C)(C)OC(=O)N1CCC[C@H]1c1ccc(F)cc1Br 199829433 RATCFIVMOGOCAU-ZDUSSCGKSA-N 344.224 4.660 0 40 EJAB Cc1cccc(CSCC(=O)N[C@@H](C)c2ccc(C)cc2C)c1 222743687 RMSAQEMWYKAITQ-KRWDZBQOSA-N 327.493 4.722 0 40 EJAB CC[C@H](NC(=O)Nc1ccc(Cl)cc1)c1ccc(OC)c(C)c1 224659558 GHOLNXZQGZTHKC-INIZCTEOSA-N 332.831 4.930 0 40 EJAB CCc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2cc(C)ccc2C)cc1 225256620 BBZWOGFOLVDWGX-DLBZAZTESA-N 325.452 4.511 0 40 EJAB CCCCOc1ccc(NC(=O)[C@]2(OC)CCC[C@@H](C)C2)cc1C 225637481 DZSZSTUYYMTTSU-QRWLVFNGSA-N 333.472 4.708 0 40 EJAB Cc1ccc(-c2cncc(C(=O)NC[C@H]3CCCC(F)(F)C3)c2)cc1 622582813 ASGBQIVYRYCZKV-HNNXBMFYSA-N 344.405 4.612 0 40 EJAB C[C@H](Cc1ccco1)C(=O)N[C@H]1CCC(C)(C)C[C@H]1c1ccccc1 1596061136 WFJGSRQAOBMBMY-UXPWSPDFSA-N 339.479 4.937 0 40 EJAB COc1ccc(-c2coc3c4c(ccc3c2=O)OC(C)(C)C=C4)cc1 1608497 QLPJSBWLIFSIMS-UHFFFAOYSA-N 334.371 4.653 0 40 EJAB biogenic CCCCOC(=O)c1cccc(NC(=O)Nc2ccc(C)cc2)c1 1891492 HIUIDJGTASVBLE-UHFFFAOYSA-N 326.396 4.596 0 40 EJAB Cc1ccc(NC[C@@H](O)Cn2c3c(c4cc(C)ccc42)CCCC3)cc1 3648925 GFJIMUXPTZXDEA-LJQANCHMSA-N 348.490 4.610 0 40 EJAB Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)CC(C)C)cc1 3655310 JDUHZCMHGJZLIL-UHFFFAOYSA-N 335.403 4.957 0 40 EJAB O=C(Nc1cccc(Cl)c1N1CCCC1)c1ccccc1Cl 4385372 MLTGFSWDIHDAJP-UHFFFAOYSA-N 335.234 4.846 0 40 EJAB Cc1ccc(CSc2nc(C)cc(NCc3ccccc3)n2)cc1 4847582 CBLMTQMOOJCSCS-UHFFFAOYSA-N 335.476 4.998 0 40 EJAB C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1C[C@H](C)C[C@@H](C)C1 4897850 WPSGCUBUKCRVEC-KURKYZTESA-N 336.479 4.659 0 40 EJAB COC(=O)c1ccc(OC(=O)c2sc3ccccc3c2Cl)cc1 6169705 ZCSPAEGCFZOTFS-UHFFFAOYSA-N 346.791 4.561 0 40 EJAB O=C(O)c1ccccc1NC(=O)N(c1ccccc1)c1ccccc1 6240573 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O=C(Nc1ccc(OC2CCCC2)cc1)C1(c2ccc(F)cc2)CC1 23056655 UGJNEEMBVYHIRX-UHFFFAOYSA-N 339.410 4.817 0 40 EJAB COc1cccc(SCc2noc(-c3ccc(Cl)cc3)n2)c1 28190883 XCUIYZZTTLUZLD-UHFFFAOYSA-N 332.812 4.691 0 40 EJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@H](C)CCc1ccccc1 30858039 JJGCBVKJPBICKJ-QUCCMNQESA-N 339.479 4.598 0 40 EJAB CC1(C)C[C@H](NCC[C@@](C)(c2ccc(Cl)cc2)C2CC2)CCO1 32072511 AEIBINHEKNGXPF-UYAOXDASSA-N 335.919 4.945 0 40 EJAB Clc1cccc(Cl)c1OCc1noc(-c2cccs2)n1 32765460 LWGRYDGJFYQTRZ-UHFFFAOYSA-N 327.192 4.684 0 40 EJAB C[C@@H]1CCC[C@@H](NC(=O)c2cccc(OCc3ccccc3)c2)[C@@H]1C 33028636 DJXJETVHGPUZGE-CBGDNZLLSA-N 337.463 4.820 0 40 EJAB Cc1noc2nc(C(C)C)cc(C(=O)Nc3ccccc3Cl)c12 36364847 MLTJLWMVNDFAMP-UHFFFAOYSA-N 329.787 4.560 0 40 EJAB Cc1ccc2c(c1)CCCN2C(=O)CCC(=O)c1ccc(C)c(C)c1 40049337 SXJOTRVTSALVBG-UHFFFAOYSA-N 335.447 4.554 0 40 EJAB O=C(O)CC/C(=C/c1ccc(F)c(F)c1)c1nc2ccccc2s1 57438761 MJCDRFVRZDIQMK-XFXZXTDPSA-N 345.370 4.980 0 40 EJAB Cc1cn(C2CCCCC2)nc1NC(=O)c1cnc(C(C)(C)C)s1 96009818 QOTOFILBTYGHNH-UHFFFAOYSA-N 346.500 4.703 0 40 EJAB CCNc1cc(Br)ccc1-c1cc2ccccc2oc1=O 216937734 WORZWCQOJAQJQU-UHFFFAOYSA-N 344.208 4.654 0 40 EJAB CC[C@H](NC(=O)COc1cc(C)cc(C)c1C)c1ccc(C)cc1C 218969808 LHQMJEVCGZAGPN-FQEVSTJZSA-N 339.479 4.875 0 40 EJAB S=C(Nc1ccc(Oc2ccccc2)nc1)NC1CCCCCC1 224042702 OTZCDQZRCWYSER-UHFFFAOYSA-N 341.480 4.883 0 40 EJAB CC(C)(C)c1ccc(O[C@H](Cc2cccc(Cl)c2)C(=O)O)cc1 225058745 CFJLIBARRWTEMX-QGZVFWFLSA-N 332.827 4.712 0 40 EJAB CC(C)c1ccc(NC(=O)c2snnc2-c2cccs2)cc1 225787951 MFTQMGMNNXBKMY-UHFFFAOYSA-N 329.450 4.642 0 40 EJAB C=CC(=O)N1c2c(OC)cccc2-c2c(ssc2=S)C1(C)C 268644 SVSUYXBXTPACEE-UHFFFAOYSA-N 349.502 4.982 0 40 EJAB C[C@]1(c2ccc(NC(=O)c3cccs3)cc2)CC1(Cl)Cl 1446116 FBAHJHWRWGDDSL-CQSZACIVSA-N 326.248 4.836 0 40 EJAB O=C(O[C@H](c1ccco1)c1nccc2ccccc12)c1ccccc1 4179006 CLORJVBYUNSLJF-HXUWFJFHSA-N 329.355 4.774 0 40 EJAB c1ccc(-c2nc(-c3ccccc3)n3c(-c4ccccc4)nnc3n2)cc1 4887390 UJZNERHMHNPPKO-UHFFFAOYSA-N 349.397 4.520 0 40 EJAB C[C@@H](C(=O)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 4921433 NPBNRBWMDNZEBN-HVPHXRIJSA-N 346.511 4.647 0 40 EJAB biogenic,in-vitro Cc1ccc2c(c1)[nH]c1c(N3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)ncnc12 5255124 FRHBWSBLWONNKN-QKKBWIMNSA-N 334.467 4.825 0 40 EJAB CC1CCN(C(=O)c2cc(-c3cccs3)nc3ccccc23)CC1 5427569 DSPGPGQMGAQSAG-UHFFFAOYSA-N 336.460 4.835 0 40 EJAB O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc(OC(F)F)cc1 5512206 MJYIIHNZGXALBL-UHFFFAOYSA-N 335.394 4.833 0 40 EJAB O=C(c1cccs1)N(Cc1ccco1)Cc1ccccc1Cl 6810619 HXHFEEWYJXTABA-UHFFFAOYSA-N 331.824 4.837 0 40 EJAB O=C(c1cc2ccccc2o1)N(C(=O)N1CCCCC1)c1ccccc1 10254494 GIQZOYZJQAEKJI-UHFFFAOYSA-N 348.402 4.686 0 40 EJAB Cc1cccc(Nc2ccccc2C(=O)OCC(=O)C(C)(C)C)c1C 12515501 RITJGGAHFKMBIZ-UHFFFAOYSA-N 339.435 4.819 0 40 EJAB CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccc2ncccc2c1 12528159 TWZFHYSLPMQESF-HXUWFJFHSA-N 349.821 4.586 0 40 EJAB CCCCc1ccc(NC(=O)c2ccc(Cn3ccnc3C)cc2)cc1 30938282 FQJYUFJXXSILMY-UHFFFAOYSA-N 347.462 4.835 0 40 EJAB Nc1c(Cl)cc(NC(=O)CCn2ccc3ccccc32)cc1Cl 32855777 FJDAQLRWRWOYSA-UHFFFAOYSA-N 348.233 4.559 0 40 EJAB CC(=O)c1cccc(NC(=O)[C@@H](C)SC/C=C/c2ccccc2)c1 36394220 LCKOKKATRFZDAD-OJXHRBAXSA-N 339.460 4.663 0 40 EJAB COc1cc2ccccc2cc1C(=O)NCc1cccc(OC(C)C)c1 38772778 XIABWVGLPRNIBY-UHFFFAOYSA-N 349.430 4.566 0 40 EJAB C[C@H](O)CNCc1ccc(N(c2ccccc2)c2ccccc2)cc1 39976523 GERPRZSRWJFGGM-SFHVURJKSA-N 332.447 4.627 0 40 EJAB NC1=Nc2nc3ccccc3n2[C@@H](C2CCCCCCCCCC2)N1 54363787 NNXUGAQFGWAHOL-SFHVURJKSA-N 339.487 4.615 0 40 EJAB CCCCn1c(SCc2ccc(F)cc2)nc2ccccc2c1=O 60382953 GDWFNISOKUJPSB-UHFFFAOYSA-N 342.439 4.628 0 40 EJAB COc1cccc2cc(C(=O)N3CCC(c4ccsc4)CC3)oc12 75157140 SUUYOTAOHACFEY-UHFFFAOYSA-N 341.432 4.523 0 40 EJAB CC[C@H](NC(=O)[C@@H](C)Oc1ccc(C)cc1)c1ccc(C)c(C)c1 218973741 GCDZQOFCVFIFMX-XLIONFOSSA-N 325.452 4.647 0 40 EJAB Cc1ccc(OCCNC(=O)Nc2cccc(Cl)c2)cc1Cl 224181968 ATAJMOQBXOQAEO-UHFFFAOYSA-N 339.222 4.502 0 40 EJAB CCOc1ccc(C(=O)Nc2cccc(Cl)c2)cc1COC(C)C 224715616 IMCJWLCPEPAXOW-UHFFFAOYSA-N 347.842 4.916 0 40 EJAB O=C(Cc1ccc(-c2ccccc2)cc1)NCc1ccccc1Cl 224972702 ASSJZYOYCIGMKU-UHFFFAOYSA-N 335.834 4.866 0 40 EJAB Cc1cccc(C[C@@H](Oc2ccc(-c3ccccc3)cc2)C(=O)O)c1 225017973 QPTZZMZHXXVFNY-OAQYLSRUSA-N 332.399 4.737 0 40 EJAB CC(C)CO[C@H](Cc1cc(Cl)ccc1Oc1ccccc1)C(=O)O 225135419 JOJPAFPYGZXRCN-GOSISDBHSA-N 348.826 4.801 0 40 EJAB CC(C)(C)c1ccc(-c2noc(-c3ccc(N)cc3Cl)n2)cc1 225172253 UUVWBXGPCRXKNQ-UHFFFAOYSA-N 327.815 4.937 0 40 EJAB CCOC(=O)c1cc(NC(=S)Nc2ccc(C)cc2)ccc1Cl 225454555 GMXQMJTZWPVSBJ-UHFFFAOYSA-N 348.855 4.634 0 40 EJAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NC(C)(C)Cc1ccccc1 225595215 BXRNZPQIJLYNPY-LJQANCHMSA-N 339.479 4.598 0 40 EJAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCCC2=CCCCC2)c1 225610158 HUCDKBNTUJIIBF-QGZVFWFLSA-N 329.484 4.892 0 40 EJAB CC(C)c1ccc(CCCNC(=S)Nc2ccc(F)cc2)cc1 225806479 ZBCJINCTSHSXOZ-UHFFFAOYSA-N 330.472 4.868 0 40 EJAB CCCN(c1cc(Cl)ccc1Oc1ccccc1)[C@H](C)C(=O)O 260677396 CMJWWCUWPQSXLD-CYBMUJFWSA-N 333.815 4.822 0 40 EJAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1cccc(C(F)(F)F)c1 408680186 PATXLQRTEDIHKS-CQSZACIVSA-N 341.304 4.641 0 40 EJAB CN1C(=O)S/C(=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1=O 408809995 IFTXWIHYBDWMOO-UVTDQMKNSA-N 347.480 4.653 0 40 EJAB COc1ccc(NC(=O)CCC(=O)c2ccc(C(C)(C)C)cc2)cc1 408835542 NRQMDRRFGIDSDH-UHFFFAOYSA-N 339.435 4.594 0 40 EJAB O=C(Nc1cccc(CSCc2ccccc2)c1)c1cncs1 609697416 WHHVWGSTHUZAKZ-UHFFFAOYSA-N 340.473 4.829 0 40 EJAB CCSc1nnc(-c2cccnc2)n1-c1cccc2ccccc12 528610 IZXGCKUIAWCDOV-UHFFFAOYSA-N 332.432 4.595 0 40 EJAB CCO[P@](=O)(OCCN(C)C)C(c1ccccc1)c1ccccc1 1600177 FCIVHNRHDQODPN-DEOSSOPVSA-N 347.395 4.584 0 40 EJAB Cc1ccc2cccc(SCC(=O)NC(C)(C)CC(C)(C)C)c2n1 2503669 UONDHEFFQQSCNU-UHFFFAOYSA-N 344.524 4.966 0 40 EJAB CCC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 2557140 SAOVUTZAPBDLOX-WSKGSGNSSA-N 346.511 4.920 0 40 EJAB O=C(Cc1ccccc1F)NCCC(c1ccccc1)c1ccccc1 2650665 LSPPIYGDHBWJQP-UHFFFAOYSA-N 347.433 4.707 0 40 EJAB CCOC(=O)c1c(NC(=O)CCC2CCCCC2)sc(C)c1C 3193767 MQCMUSNRZMVHLB-UHFFFAOYSA-N 337.485 4.841 0 40 EJAB Cc1ccc(NC(=O)c2ccc3ncsc3c2)c(Br)c1 3400181 YPMDKIJJYFYAEI-UHFFFAOYSA-N 347.237 4.620 0 40 EJAB O=c1c2ccccc2[nH]c(=S)n1-c1ccc(Oc2ccccc2)cc1 4864446 SSCNDAPWOKIBLW-UHFFFAOYSA-N 346.411 4.841 0 40 EJAB c1ccc(-c2nc(NC[C@H]3CCCO3)c3oc4ccccc4c3n2)cc1 5164551 GDJJMSNTVHKFTH-OAHLLOKOSA-N 345.402 4.634 0 40 EJAB aggregator Clc1ccc(-c2nnc3n2N[C@H](c2ccccc2)S3)c(Cl)c1 5809823 AQNYHCYKFKRVDB-AWEZNQCLSA-N 349.246 4.600 0 40 EJAB CCc1ccc(-c2csc(NC(=O)c3cc(F)cc(F)c3)n2)cc1 6508283 CHMKTXYDWYJOPX-UHFFFAOYSA-N 344.386 4.903 0 40 EJAB COc1cc(Cl)c(C)cc1NC(=O)CCOc1cc(C)ccc1C 9721697 QQASRDPPGDIUOK-UHFFFAOYSA-N 347.842 4.681 0 40 EJAB O=C(c1cc2ccccc2o1)N(Cc1ccccc1)c1ccccn1 10813823 LEJZACQMSPZBIY-UHFFFAOYSA-N 328.371 4.675 0 40 EJAB C[C@@H]1CC[C@](C)(C(=O)N(C)C(=O)[C@@]2(C)CC[C@@H](C)C2(C)C)C1(C)C 13405278 BHUKNCSDHSSDAL-MXKXFIQMSA-N 335.532 4.896 0 40 EJAB biogenic CCc1cccc(CC)c1NS(=O)(=O)c1ccc(C(C)(C)C)cc1 14255581 CFMXMPOZRVBPDV-UHFFFAOYSA-N 345.508 4.910 0 40 EJAB CC(=O)c1sc(NC(=O)CCC2CCCC2)nc1-c1ccccc1 14658137 GESYARQLYRBPJC-UHFFFAOYSA-N 342.464 4.922 0 40 EJAB CCc1cccc(CC)c1Nc1nnc(SC[C@H]2CCCO2)s1 14676405 HRRODCJOWHVOOV-CQSZACIVSA-N 349.525 4.678 0 40 EJAB O=C(c1ccccc1OCc1ccc(F)cc1)N1CCc2ccccc21 14909364 ZBRMUJYZTSRNIH-UHFFFAOYSA-N 347.389 4.608 0 40 EJAB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2Sc1ccc(Cl)cc1 15906460 MXEIBCYOSABGBK-PKOBYXMFSA-N 344.911 4.963 0 40 EJAB Cc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)C(=O)CC(C)(C)C2 16740281 UHFOEVXJSNMGSB-UHFFFAOYSA-N 345.826 4.957 0 40 EJAB CN(C(=O)c1cc(-c2ccccn2)nc2ccccc12)c1ccccc1 16740438 FPUICHUIWGCIMP-UHFFFAOYSA-N 339.398 4.573 0 40 EJAB Fc1ccccc1CSc1nccn2nc(-c3ccccc3)cc12 16842527 SKICYKDSBJBNNZ-UHFFFAOYSA-N 335.407 4.828 0 40 EJAB CC(C)c1ccc(CCNC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1 20048884 MUZORMWPZQXFOH-HNNXBMFYSA-N 345.870 4.590 0 40 EJAB C[C@H](c1nc2ccccc2n1C(F)F)N1CCc2ccccc2C1 24976560 DZOPFFXKTSJNPC-CYBMUJFWSA-N 327.378 4.551 0 40 EJAB CCSc1ccccc1C(=O)Nc1nnc(-c2ccccc2)s1 26182351 RALWMQLFFDETJT-UHFFFAOYSA-N 341.461 4.569 0 40 EJAB c1ccc2[nH]c(SCCCSc3nc4ccccc4[nH]3)nc2c1 30835842 PHJOCMKEARNPNP-UHFFFAOYSA-N 340.477 4.714 0 40 EJAB CCC(C)(C)c1ccc(OC[C@H]2CCCNC2)c(Br)c1 42775266 NIBNPWHRFWXKII-ZDUSSCGKSA-N 340.305 4.515 0 40 EJAB Cc1cc(C)cc(OCC(=O)Nc2ccc3[nH]c4ccccc4c3c2)c1 44781729 OEWGFZFLBJQWFC-UHFFFAOYSA-N 344.414 4.955 0 40 EJAB Cc1ncc(-c2ccc(NC(=O)c3ccc(-c4cnco4)cc3)cc2)o1 54710578 PDCSQSMTGXPPRA-UHFFFAOYSA-N 345.358 4.557 0 40 EJAB FC(F)Oc1ccccc1CN[C@@H](c1ccccc1)c1ccccn1 70037944 BSBJMMDUIAHWQU-IBGZPJMESA-N 340.373 4.562 0 40 EJAB CC(C)(C)OC(=O)n1cc(O)c2cc(Br)c(Cl)cc21 80443855 GOCPGHYVOVCIRH-UHFFFAOYSA-N 346.608 4.546 0 40 EJAB O=C(Nc1c(F)cccc1F)N1CCS[C@H](c2ccccc2)CC1 211144137 HNANJPAOGYDCIJ-INIZCTEOSA-N 348.418 4.677 0 40 EJAB CC[C@H](NC(=O)COc1cc(C)cc(C)c1C)c1ccc(C)c(C)c1 218969714 VSTMITAUNHEVKF-FQEVSTJZSA-N 339.479 4.875 0 40 EJAB Cc1ccc([C@@H](NC(=O)Cc2cccs2)c2ccccc2)c(C)c1 222680323 SPSUSTGGJILNIL-NRFANRHFSA-N 335.472 4.813 0 40 EJAB Cc1cc(C)c([C@H](C)NC(=O)c2ccc(OC(C)C)cc2)cc1C 223452901 QPYHYNFQODYMOY-KRWDZBQOSA-N 325.452 4.890 0 40 EJAB CC[C@H](Oc1ccccc1)C(=O)N[C@@H](C)c1cc(C)c(C)cc1C 223491644 NFFYHNMICXFGNR-PXNSSMCTSA-N 325.452 4.647 0 40 EJAB CC[C@H](NC(=O)CCSc1ccccc1)c1ccc(OC)c(C)c1 224388417 URSSIOLBJFPSRL-SFHVURJKSA-N 343.492 4.753 0 40 EJAB CCc1nc2ccc(NC(=S)N[C@H](C)c3ccccc3)cc2s1 225207046 GSUZSMGSATVEQD-GFCCVEGCSA-N 341.505 4.906 0 40 EJAB CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC(C)C)c(C)c1 225690170 NDLKMESEJGHRFS-HXUWFJFHSA-N 335.488 4.810 0 40 EJAB CCCCOc1ccc(C(=O)Nc2cc(Cl)c(C)cc2N)cc1 226349501 YSAAMELMGQYDLR-UHFFFAOYSA-N 332.831 4.662 0 40 EJAB CC[C@H](C)N1C(=O)S/C(=C/c2ccc(C(F)(F)F)cc2)C1=O 409011241 NDNLYWUPNTVVSA-KWINOFQJSA-N 329.343 4.540 0 40 EJAB Cc1ccc(S(=O)(=O)/C(=C/c2ccccc2)c2ccccc2)cc1 339352 FQLJPKNDYDMUTA-LTGZKZEYSA-N 334.440 4.967 0 40 EJAB Cc1ccc(-c2nnc(SCc3ccccc3Cl)n2C)cc1 421406 MINQSLWQKDZPQB-UHFFFAOYSA-N 329.856 4.736 0 40 EJAB O=C(Nc1ccc(Cl)cc1)Nc1nnc(-c2ccccc2F)s1 523545 PTFUBFZDQLBHSI-UHFFFAOYSA-N 348.790 4.642 0 40 EJAB CCOC(=O)CCCCCCC(=O)c1ccccc1Br 2378867 WJTDTUAJIIESJQ-UHFFFAOYSA-N 341.245 4.536 0 40 EJAB O=C(CCc1c[nH]c2ccccc12)Nc1ccc(Br)cc1 3598385 RXCWFRPLFPBBEK-UHFFFAOYSA-N 343.224 4.502 0 40 EJAB C[C@H](O)[C@]1(C)CCC2=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)C[C@H](O)CC[C@]12C 3843846 GKVQKZCWVOOFCZ-ZAWCBVEESA-N 332.528 4.841 0 40 EJAB CCSc1ccccc1C(=O)Nc1nc2c(F)cccc2s1 4585712 PXGOSXFBFXENPY-UHFFFAOYSA-N 332.425 4.800 0 40 EJAB CC(C)CCOC(=O)CCCCCCCC(=O)OCCC(C)C 4727138 QKXJAOGMTYMWDO-UHFFFAOYSA-N 328.493 4.896 0 40 EJAB CCOC(=O)n1c(COc2ccc(Cl)cc2C)nc2ccccc21 5607919 GGBLJMBBGXPFHC-UHFFFAOYSA-N 344.798 4.582 0 40 EJAB Cc1ccc(-n2cnnc2SCc2ccccc2F)cc1Cl 6104288 UYLGCPWAODRWKR-UHFFFAOYSA-N 333.819 4.661 0 40 EJAB CCO[P@@](=O)(OCCN(C)C)C(c1ccccc1)c1ccccc1 6411157 FCIVHNRHDQODPN-XMMPIXPASA-N 347.395 4.584 0 40 EJAB Cc1cccc(-c2nnc(-c3ccc(NC(=O)CC(C)C)cc3)o2)c1 8215238 NWRSZPVIECDWIA-UHFFFAOYSA-N 335.407 4.697 0 40 EJAB CN1C(=O)Cc2cc(-c3csc(-c4cccc(Cl)c4)n3)ccc21 12752654 GLSFIVGGHVFURX-UHFFFAOYSA-N 340.835 4.649 0 40 EJAB O=C(c1cccc(F)c1)N1CCc2sccc2[C@@H]1c1cccs1 12997318 YTAUSIFYIKXYSW-QGZVFWFLSA-N 343.448 4.737 0 40 EJAB CC(C)(C)[C@H]1CCc2c(sc3nc(-c4ccccc4)[nH]c(=O)c23)C1 20345956 WKTZHPSPKKXJPE-ZDUSSCGKSA-N 338.476 4.803 0 40 EJAB Cc1nc(-c2ccccc2)ccc1C(=O)N1CCCc2ccccc21 24467836 KKMZDGOGRMQVPT-UHFFFAOYSA-N 328.415 4.650 0 40 EJAB COCc1cccc(NC(=O)c2sc(C)nc2-c2ccccc2)c1 25335913 OPGGAWCKJUBKLZ-UHFFFAOYSA-N 338.432 4.517 0 40 EJAB COc1ccc([C@H]2N=C(c3ccccc3)[C@H]3[C@@H](c4ccccc4)N23)cc1 25586558 NUTTVNZGHVOMQV-ICIDBNQLSA-N 340.426 4.622 0 40 EJAB O=C(Cc1ccc(Cl)cc1)Nc1ccc(OC2CCCC2)cc1 31245404 LJVYWIRTZSFKKH-UHFFFAOYSA-N 329.827 4.843 0 40 EJAB Fc1ccccc1-c1ccc(CNCc2ccc3c(c2)OCO3)s1 44861666 MAXKVNGRSSKUTP-UHFFFAOYSA-N 341.407 4.573 0 40 EJAB CC[C@H](NC(=O)CSCc1ccc(C)cc1)c1ccc(C)cc1 44886347 YQYRSPPBRRUKAK-IBGZPJMESA-N 327.493 4.804 0 40 EJAB COc1ccc(-c2csc(Nc3ccc(N(C)C)cc3)n2)cc1C 44928824 RGJQWAZFQRTWAL-UHFFFAOYSA-N 339.464 4.937 0 40 EJAB O=C(Nc1cccc(CO)c1)c1ccccc1SCc1ccccc1 59483596 ACPQMPDZWACLCY-UHFFFAOYSA-N 349.455 4.724 0 40 EJAB COc1cccc(OCC(=O)Nc2ccc(Oc3ccccc3)cc2)c1 60964828 NIEUEGJILSSDCU-UHFFFAOYSA-N 349.386 4.505 0 40 EJAB Oc1nc(SCc2cccc(F)c2)nc2c1oc1ccccc12 67259870 MWEHCAWQUYLQPL-UHFFFAOYSA-N 326.352 4.513 0 40 EJAB CC(C)C(=O)Nc1ccc(O)c(-c2nc3cc(C(C)C)ccc3o2)c1 70462027 JWCGYUDDSHSOHY-UHFFFAOYSA-N 338.407 4.918 0 40 EJAB Cc1nc(Cl)ccc1[C@H]1CCCN1C(=O)OCc1ccccc1 72217896 DTNRGXFYDJLMMB-MRXNPFEDSA-N 330.815 4.517 0 40 EJAB CC(C)c1cc(Br)c2oc(-c3cccc(N)c3)nc2c1 73639108 QUZRNWCUFIVORG-UHFFFAOYSA-N 331.213 4.963 0 40 EJAB c1ccc(-n2ccc(COc3ccccc3-c3nccs3)n2)cc1 96011636 UAGZUXPEVIWVQT-UHFFFAOYSA-N 333.416 4.575 0 40 EJAB FC(F)(F)C(F)(F)CCCOc1cccc(Br)c1 98210653 GDSCUOFHJHPCKE-UHFFFAOYSA-N 333.094 4.806 0 40 EJAB CN(C(=O)[C@H]1C[C@H]2CC[C@H]1C2)[C@H](c1ccccc1)c1ccc(F)cc1 107329060 IYBCCUAWIHSZMS-CEDBRAGKSA-N 337.438 4.810 0 40 EJAB CCOc1ccc(C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1 219954064 CFGDXGDUGPPLLW-OAHLLOKOSA-N 325.452 4.874 0 40 EJAB COc1ccc(CCC(=O)N[C@@H](CC(C)C)c2ccccc2)cc1C 223147370 URDAKZXCTFTDPM-FQEVSTJZSA-N 339.479 4.840 0 40 EJAB CCCC[C@H](CC)CNC(=O)CCCOc1ccc(Cl)cc1 224144795 URTHCYYCQGGJND-HNNXBMFYSA-N 325.880 4.832 0 40 EJAB CC(C)OC(=O)c1cc(N)ccc1Nc1ccc(Cl)cc1Cl 225474971 FEXBUZFNLBSMKT-UHFFFAOYSA-N 339.222 4.884 0 40 EJAB CCOc1cccc(NC(=S)N[C@H](C)c2ccc(C)cc2C)c1 225477168 VCZYZLZYQLJPPP-OAHLLOKOSA-N 328.481 4.750 0 40 EJAB COc1cccc(NC(=O)NCCCc2cccc3ccccc23)c1 225764487 VEJZXBZBRJYINQ-UHFFFAOYSA-N 334.419 4.603 0 40 EJAB COc1ccc(C2(NC(=S)Nc3ccc(F)cc3)CCCC2)cc1 225851418 FFJXPDLGOHZVEV-UHFFFAOYSA-N 344.455 4.590 0 40 EJAB FC(F)(F)c1cc([C@H](NCc2ccon2)C2CC2)ccc1Cl 390833544 JDFOCVZEWHAKQC-CQSZACIVSA-N 330.737 4.588 0 40 EJAB Cc1ccc(C)c(OC2CCN(C(=O)C3CCC4(CC3)CC4)CC2)c1 1518463267 LUTRBHTYUBCULI-UHFFFAOYSA-N 341.495 4.644 0 40 EJAB CCOC(=O)c1sc2ncnc(Nc3ccc(Cl)cc3)c2c1C 215347 OHHYYFVQIJMHMF-UHFFFAOYSA-N 347.827 4.573 0 40 EJAB O=C(NC1CCCCC1)c1cc(-c2ccccc2)nc2ccccc12 217122 NGGJLKXQMPYPPL-UHFFFAOYSA-N 330.431 4.964 0 40 EJAB in-vitro CC[C@H]1C[C@](C)(c2csc(Nc3ccccc3Cl)n2)OC1=O 330700 KLCFJWHXZMHIJJ-MGPLVRAMSA-N 336.844 4.728 0 40 EJAB CC(C)(C)c1csc(NC(=O)COc2cccc3ccccc23)n1 412624 ZBBAOQWYTQOSIH-UHFFFAOYSA-N 340.448 4.611 0 40 EJAB Cc1cc(C)cc(C(=O)NC(=S)Nc2cccc3ccccc23)c1 505890 BMBMJARPGXXFNX-UHFFFAOYSA-N 334.444 4.583 0 40 EJAB CCOc1ccc2oc(=O)cc(-c3cc4cccc(OC)c4o3)c2c1 4586220 SQVFSFQKHVFNGX-UHFFFAOYSA-N 336.343 4.614 0 40 EJAB biogenic CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccccc2)N3)C1 5274711 FCPFDXUBFKRDPZ-SUMWQHHRSA-N 340.492 4.753 0 40 EJAB Cc1cccc(OCC(=O)Nc2ccc(OCc3ccccc3)cc2)c1 5548567 SOPSULGOAGAWQR-UHFFFAOYSA-N 347.414 4.592 0 40 EJAB O=C(Nc1nc(-c2ccccc2Cl)cs1)c1ccccc1F 5559009 PVEHRRPEMXDKEZ-UHFFFAOYSA-N 332.787 4.855 0 40 EJAB CCCOc1cc2c(cc1[C@@H](C)c1ccc(OC)c(C)c1)OCO2 5785280 VTJOKZSIDUYZCW-AWEZNQCLSA-N 328.408 4.673 0 40 EJAB COC(=O)c1ccccc1NC(=O)c1ccc(-c2ccc(C)c(C)c2)o1 6503778 UAYRNRWTOHDUHM-UHFFFAOYSA-N 349.386 4.602 0 40 EJAB Cc1cccc(OCC(=O)N(Cc2ccccc2)Cc2ccccc2)c1 6504344 YCGZKQIFGYWDFV-UHFFFAOYSA-N 345.442 4.603 0 40 EJAB Cc1ccc(-n2c(C)nnc2S[C@H](C)c2ccc(F)cc2)cc1 8232943 RNCJKISOEFVRSO-CYBMUJFWSA-N 327.428 4.877 0 40 EJAB C[C@@H]1CCN(C(=O)/C=C/c2ccc(F)cc2)c2ccccc2S1 8489250 KCKAIPRBAGGXCT-BMGYJQCNSA-N 327.424 4.756 0 40 EJAB CCCc1cc(C(=O)OCC(=O)c2ccc(C)cc2)c2ccccc2n1 8714767 NACMDXHRKUQHIW-UHFFFAOYSA-N 347.414 4.535 0 40 EJAB CCC1=Nc2ccccc2N=C(NC(C)=O)[C@H]1c1ccc(Cl)cc1 8991053 TZDJLYXSOYRVOS-SFHVURJKSA-N 339.826 4.786 0 40 EJAB Cc1ccc(CCC(=O)Nc2ccc(Br)c(C)c2)cc1 10365797 VEHJTQVICHXWMD-UHFFFAOYSA-N 332.241 4.637 0 40 EJAB O=C(c1ccc(Cl)cc1)N(Cc1cccs1)c1ccccn1 11915034 SFXGIPYUZSMDJB-UHFFFAOYSA-N 328.824 4.644 0 40 EJAB Cc1cccc(OCCS[C@H](C)C(=O)Nc2ccccc2Cl)c1 15492271 IGZMAJADLSWDBG-CQSZACIVSA-N 349.883 4.788 0 40 EJAB COCc1cccc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c1 25822876 YGPKVISFYGCCAL-HNNXBMFYSA-N 341.451 4.537 0 40 EJAB COC(=O)[C@@H](Oc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1 34043205 QLDNTSUUGXVVFK-AWEZNQCLSA-N 344.716 4.652 0 40 EJAB Fc1cccc(C=C2CCN(c3ncnc4sccc34)CC2)c1 40135321 URUCSHJWWCGKHE-UHFFFAOYSA-N 325.412 4.514 0 40 EJAB Cc1[nH]c(-c2ccccc2)c2c1C(S)=NN=C(c1ccccc1)C2 67340124 ZLVSEWPWEGAAFL-UHFFFAOYSA-N 331.444 4.627 0 40 EJAB COc1cc([C@H]2SCC(O)=Nc3ccsc32)ccc1OC(C)C 71281007 UBXWBDBDQMLNRT-MRXNPFEDSA-N 349.477 4.968 0 40 EJAB CC1=Nc2c(c(O)nn2C(C)C)[C@@H](c2ccc(OC(C)C)cc2)S1 71285491 TXDPMTWNURSUOG-MRXNPFEDSA-N 345.468 4.843 0 40 EJAB Nc1nc(-c2cccc(F)c2)cc(-c2ccc(Cl)c(Cl)c2)n1 71977930 FFLFUNYOTOOKRD-UHFFFAOYSA-N 334.181 4.839 0 40 EJAB O=C(N[C@@H](c1nccs1)C1CC1)N1CCCCC[C@@H]1c1ccco1 74708537 QKUSZDOTIAEREZ-GDBMZVCRSA-N 345.468 4.514 0 40 EJAB O=C(/C=C(/c1ccccc1)C(F)(F)F)N[C@@H](c1ccccc1)C1CC1 96316219 DVTPXLGYUVRVCA-LYDJUCFBSA-N 345.364 4.900 0 40 EJAB Cc1cc(Cl)ccc1OCCCC(=O)N[C@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2 102234223 IZTFTQNBTGOQST-KONPQCLYSA-N 349.902 4.748 0 40 EJAB CC(C)(C)OC(=O)N1CCC[C@H]1c1ccc(Br)c(F)c1 199830732 DEDMDHLMXDRJDX-ZDUSSCGKSA-N 344.224 4.660 0 40 EJAB CC[C@H](NC(=O)COc1ccccc1C)c1ccc2c(c1)CCCC2 223011171 XWJZLTCRQQJILU-FQEVSTJZSA-N 337.463 4.520 0 40 EJAB COc1cc(C)c([C@H](C)NC(=O)c2ccc(F)cc2)cc1C(C)C 223263763 LKCQKGVVOGNRQM-AWEZNQCLSA-N 329.415 4.757 0 40 EJAB Cc1ccc(O[C@@H](C)C(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1C 223472075 CKQDGGPLJBHKQM-MOPGFXCFSA-N 339.479 4.873 0 40 EJAB COc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1COC(C)C 224425196 YANZUUAFIKBGJI-UHFFFAOYSA-N 347.842 4.834 0 40 EJAB O=C(Cc1ccc(-c2ccccc2)cc1)N1CCCc2ccccc21 224975927 UVRVDMPLPLAVIC-UHFFFAOYSA-N 327.427 4.876 0 40 EJAB CCc1ccc([C@@H](C)NC(=O)CSc2ccc(Cl)cc2)cc1 225008000 QBBIQDCSLVVWHI-CYBMUJFWSA-N 333.884 4.872 0 40 EJAB CC(C)Sc1nnc(NC(=S)Nc2ccc(Cl)cc2)s1 225466786 WYZDKJAENPSDOR-UHFFFAOYSA-N 344.918 4.501 0 40 EJAB Cc1ccc(NC(=S)N[C@@H](c2ccccc2)c2ccccc2C)nc1 225507534 IFKKYFPSMIHBOM-FQEVSTJZSA-N 347.487 4.774 0 40 EJAB CO[C@@]1(C(=O)Nc2cc(C)c(OCC(C)C)c(C)c2)CCC[C@H](C)C1 225638546 JWTKZDWMIYRISZ-BTYIYWSLSA-N 347.499 4.872 0 40 EJAB Cc1cccc(C)c1NC(=O)c1snnc1-c1ccc(Cl)cc1 225769437 OEGXVVJFQDHGMI-UHFFFAOYSA-N 343.839 4.728 0 40 EJAB Cc1occc1C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 225869305 MKKSKVNQXXNLMY-UHFFFAOYSA-N 339.778 4.725 0 40 EJAB CCC(C)(C)C1CCC2(CC1)SCC(=O)N2Nc1ccccc1 226760300 BYRJPEWJDRAHIO-UHFFFAOYSA-N 332.513 4.912 0 40 EJAB FC(F)(F)c1cc(NC(=S)N[C@H]2C[C@H]3CC[C@H]2C3)ccc1Cl 260658797 MWAZNBDAYJSSLB-RVBZMBCESA-N 348.821 4.834 0 40 EJAB CC(C)N[P@](=O)(O[C@H]1C[C@H](C)CC[C@@H]1C(C)C)c1ccccc1 263621491 ADULCGJWFWMRGU-YQYRJILISA-N 337.444 4.980 0 40 EJAB biogenic CCOc1ccccc1-c1nc(O)c2c3c(sc2n1)CCCCC3 408989169 KHDMIEPMZVMFGU-UHFFFAOYSA-N 340.448 4.732 0 40 EJAB CC(C)(C)OC(=O)n1cc(C(F)F)c2cc(Br)ncc21 1857793305 NFUROQKYODOVRE-UHFFFAOYSA-N 347.159 4.520 0 40 EJAB O=C1C[C@@H](c2ccc(Cl)c(Cl)c2)c2cc3c(cc2N1)CCC3 104583 QWBFZWVEOLRQMX-ZDUSSCGKSA-N 332.230 4.956 0 40 EJAB Clc1ccccc1Cc1noc(-c2cccc(Br)c2)n1 426168 PSSLDYNQBOCCJV-UHFFFAOYSA-N 349.615 4.743 0 40 EJAB O[C@@](CCN1CCCCC1)(Cc1ccccc1)c1cccc(Cl)c1 1698658 SFCOPAFRKWVMLA-NRFANRHFSA-N 343.898 4.646 0 40 EJAB CCCCc1cc(=O)oc2c3c(ccc12)OCN(c1ccccc1C)C3 2113128 JSFDMVJXWWTAQF-UHFFFAOYSA-N 349.430 4.801 0 40 EJAB biogenic CCCSc1nc2sc3c(c2c(=O)n1[C@H](C)CC)CCCC3 2624847 LVKYJJSKEVQLRU-LLVKDONJSA-N 336.526 4.810 0 40 EJAB Cc1ccc(NC(=O)[C@@H](C)Sc2nc3ccc(Cl)cc3[nH]2)cc1 3501059 YKURYWRVDBRMPS-LLVKDONJSA-N 345.855 4.644 0 40 EJAB Cc1ccc(SCC(=O)Nc2nc3c(Cl)cccc3s2)cc1 4496437 XBMFUGFSTWEFNA-UHFFFAOYSA-N 348.880 4.989 0 40 EJAB COc1ccc(C2=NN3[C@H](CC(C)C)Oc4ccccc4[C@@H]3C2)cc1 5218329 PBZXUXBYDBXDLZ-FPOVZHCZSA-N 336.435 4.611 0 40 EJAB Clc1ccc(-c2nnc3sc(-c4ccccc4Cl)nn23)cc1 6593488 NSWHAOFYNJDXPR-UHFFFAOYSA-N 347.230 4.827 0 40 EJAB CCCCCN[C@H](C(=O)Nc1ccccc1OCC)c1ccccc1 7378825 LYFOUDWFPIKTPW-FQEVSTJZSA-N 340.467 4.545 0 40 EJAB CCCOc1ccc(Br)cc1C(=O)Nc1ccc(C)cc1 14651722 JTKZMVRKADFQMU-UHFFFAOYSA-N 348.240 4.799 0 40 EJAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2C)c1 19933758 TZJFEWJFZXUMMH-HNNXBMFYSA-N 331.843 4.980 0 40 EJAB O=C(Nc1ccc2sc(C(=O)O)cc2c1)c1ccc(Cl)cc1 20136090 OQPNXSWRSFMDHG-UHFFFAOYSA-N 331.780 4.505 0 40 EJAB COc1ccc(N(Cc2cccs2)C(=O)NC2CCCCC2)cc1 20896909 MXIJUASVTHTVKA-UHFFFAOYSA-N 344.480 4.806 0 40 EJAB Cc1cc(C)cc(NC(=O)Cc2nc(-c3cccs3)oc2C)c1 22962032 DMBLTFXEZCRAAH-UHFFFAOYSA-N 326.421 4.510 0 40 EJAB CN(C(=O)CSCc1ccc(Cl)c(Cl)c1)c1ccccc1 30861583 SWYKSFBFRZZCSN-UHFFFAOYSA-N 340.275 4.890 0 40 EJAB Cc1nc(-c2cccc(NC(=O)Cc3ccc(Cl)cc3)c2)oc1C 33767253 GLBGPCZXNNMTDD-UHFFFAOYSA-N 340.810 4.793 0 40 EJAB COc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@]2(C)[C@@H](OCCF)CC[C@@H]12 33771936 DGIIPHVYWDBDOJ-SYAJIYQZSA-N 332.459 4.906 0 40 EJAB Cc1ccc(-c2onc(C)c2C(=O)Nc2ccc(Cl)cc2)cc1 35671917 ZBEPJHKIBFFRPT-UHFFFAOYSA-N 326.783 4.864 0 40 EJAB COc1ccc(S[C@H](C)C(=O)N[C@H](C)c2ccc(C)cc2C)cc1 38772692 IGZZPOVLEGUAKL-HZPDHXFCSA-N 343.492 4.670 0 40 EJAB c1ccc(COc2ccccc2CN[C@H]2CCCc3ccccc32)nc1 55472227 CIQDHIQKDAAOGA-QFIPXVFZSA-N 344.458 4.828 0 40 EJAB CC[C@@H](Oc1ccc(C)cc1)C(=O)N[C@@H](C)c1cc(C)ccc1C 59351519 NBBSVZDCVQXPIE-FXAWDEMLSA-N 325.452 4.647 0 40 EJAB CCCCNc1ccc([C@@H]2CCCCN2C(=O)c2ccccc2)cn1 72213694 TZNILLCSNULFRT-IBGZPJMESA-N 337.467 4.661 0 40 EJAB COCc1ccccc1NC(=O)Nc1cccc(-c2nccs2)c1 72282536 XUVGQYNUEVVURP-UHFFFAOYSA-N 339.420 4.601 0 40 EJAB CC1(C)C[C@](CC(=O)N2CCCCC2)(c2ccc(Cl)cc2)CCO1 95477302 CMGUPMPTNHKMDU-FQEVSTJZSA-N 349.902 4.569 0 40 EJAB Cc1ccc2[nH]c3c(N4C[C@]5(C)C[C@@H]4CC(C)(C)C5)ncnc3c2c1 100744318 AQZQOIMXUHPLBV-LHSJRXKWSA-N 334.467 4.825 0 40 EJAB O=C1S/C(=C/c2ccccc2)C(=O)N1Cc1ccc(F)cc1Cl 205655970 MAPMROGTAVZRFI-OVCLIPMQSA-N 347.798 4.716 0 40 EJAB CC[C@H](NC(=O)[C@H](C)Oc1ccccc1Cl)c1ccc(C)cc1C 219061016 ABERZECGNQQJIW-YJBOKZPZSA-N 345.870 4.992 0 40 EJAB C[C@@H](NC(=O)CSc1ccccc1)c1ccc2c(c1)CCCC2 222903132 TXKNWFSXBJZTSU-OAHLLOKOSA-N 325.477 4.535 0 40 EJAB CCCC[C@@H](CC)CNC(=O)[C@H](CC)Oc1ccc(Cl)cc1 224621965 QAOSRGSBYKFGGB-PBHICJAKSA-N 325.880 4.830 0 40 EJAB CCCOc1ccc(NC(=O)C2(OC)CCC(C)CC2)cc1Cl 225642186 ZHKKLUCLEFBVNA-UHFFFAOYSA-N 339.863 4.663 0 40 EJAB Cc1ccc([C@H](NC(=S)Nc2ncccc2C)C(C)C)c(C)c1 225766352 VEEIYGQGJSDFEO-QGZVFWFLSA-N 327.497 4.691 0 40 EJAB c1ccc(CN=c2nc(-c3ccccc3)n(-c3ccccc3)s2)cc1 334156952 JQPAQHRUZOUMMG-UHFFFAOYSA-N 343.455 4.702 0 40 EJAB O=C(NCc1nc(C2CCCCC2)cs1)c1ccccc1Cl 390830616 MFLVQGDZFFNGOK-UHFFFAOYSA-N 334.872 4.774 0 40 EJAB O=C(Nc1ccc(O)c(-c2nc3ccccc3o2)c1)C1CCCCC1 31421 NUXYIFVCAZTDPE-UHFFFAOYSA-N 336.391 4.719 0 40 EJAB O=C(O)c1ccccc1NC(=O)c1sc2ccccc2c1Cl 42153 KMJLPUAJJSYJJO-UHFFFAOYSA-N 331.780 4.505 0 40 EJAB O=C(NCc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1Cl 142070 OLTRQEKLJGYFBR-UHFFFAOYSA-N 348.151 4.942 0 40 EJAB CCn1c([C@@H](Cc2ccccc2)NC(=O)C(C)(C)C)nc2ccccc21 201104 USXKNLQNZQXTTQ-GOSISDBHSA-N 349.478 4.502 0 40 EJAB CCSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCC3 495789 GWPDUTJTKTXVGS-UHFFFAOYSA-N 334.510 4.564 0 40 EJAB CC[C@H](C)Oc1ccc(/C=C2/SC(=O)N(CC)C2=O)cc1Cl 980978 ZSLJVQNWQXUPIK-RSYJBZMQSA-N 339.844 4.574 0 40 EJAB Cc1cc(C)n(-c2nc3ccccc3nc2Nc2ccc(Cl)cc2)n1 1305179 RHOOFTAJBQYFAT-UHFFFAOYSA-N 349.825 4.829 0 40 EJAB CC[C@H](C)c1ccc(OC[C@H](C)OC(=O)Cc2ccccc2)cc1 1583822 CTQBRBWGLVRKAV-IRXDYDNUSA-N 326.436 4.753 0 40 EJAB O=P(Nc1nccs1)(Oc1ccccc1)Oc1ccccc1 1849064 REBMRDWJVCFVQF-UHFFFAOYSA-N 332.321 4.821 0 40 EJAB CCCC(=O)Nc1sc(CC)c(-c2ccccc2)c1C(=O)OCC 2158200 URNRCJKBKFAVSY-UHFFFAOYSA-N 345.464 4.893 0 40 EJAB CCCCc1cc(=O)oc2cc(OC(=O)c3ccco3)c(Cl)cc12 2364051 YDCXYMSULRFTAZ-UHFFFAOYSA-N 346.766 4.601 0 40 EJAB O=C(Nc1nc2c(F)cc(F)cc2s1)c1ccc2ccccc2c1 2714027 BVFLLZLZCMXZRQ-UHFFFAOYSA-N 340.354 4.980 0 40 EJAB Brc1ccccc1-c1nnc(CSc2ccccc2)o1 3383238 QYAYXAKHTLFCHE-UHFFFAOYSA-N 347.237 4.791 0 40 EJAB Cc1cccc2nc(-c3ccsc3)c(Nc3ccc4c(c3)OCO4)n12 3911534 ADKGRECJYYMOPY-UHFFFAOYSA-N 349.415 4.844 0 40 EJAB Cc1ccc(-c2nonc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1 5451713 HSHPBUUNLVGUCV-UHFFFAOYSA-N 335.407 4.595 0 40 EJAB O=C(Nc1cccnc1)c1ccc(-c2nc3ccccc3s2)s1 8436672 OTFCVLFIJUHXTI-UHFFFAOYSA-N 337.429 4.672 0 40 EJAB Cc1cc(C)c2[nH]cc(-c3nnnn3-c3ccc4ccccc4c3)c2c1 8702094 ZLZRZIWJUVEKJI-UHFFFAOYSA-N 339.402 4.581 0 40 EJAB CC(C)(C)C(=O)Nc1sc2c(c1C(=O)O)CC[C@H](C(C)(C)C)C2 8731395 VSBFIHPCVAQLKJ-JTQLQIEISA-N 337.485 4.582 0 40 EJAB C[C@@H](NC(=O)CSc1ccccc1)c1ccc(C(C)(C)C)cc1 10111748 FTZWWIVVYWLIQF-OAHLLOKOSA-N 327.493 4.954 0 40 EJAB O=c1[nH]c(CSc2c(Cl)cccc2Cl)nc2ccsc12 10276881 ADLDJLUBGZOUCH-UHFFFAOYSA-N 343.260 4.584 0 40 EJAB O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1ccc(Cl)c(Cl)c1 12435604 WUJKGUWRGOANHX-UHFFFAOYSA-N 349.217 4.594 0 40 EJAB Cc1ccccc1NC(=O)[C@@H](C)N(C)Cc1ccc2ccccc2c1 12992650 FJLKKRPPIISOIZ-QGZVFWFLSA-N 332.447 4.607 0 40 EJAB CC(=O)Nc1ccc(CN[C@H](C)c2cccc(C(F)(F)F)c2)cc1 14168501 XBJCJBGPJFKXGZ-GFCCVEGCSA-N 336.357 4.515 0 40 EJAB CC(=O)c1cc(Cl)ccc1OCc1cc(-c2ccccc2)on1 15524942 DDZJYMOJIGOQFZ-UHFFFAOYSA-N 327.767 4.777 0 40 EJAB O=C(Nc1nc2ccccc2s1)C12CC3C[C@H](CC[C@H](C3)C1)C2 16778749 UVVTYOSSRCQQEN-QCDJMGEHSA-N 326.465 4.841 0 40 EJAB CC[C@H](CNC(=O)CCC(=O)c1cc(C)ccc1C)c1ccccc1 23748821 VVEJEGINKKSBPV-GOSISDBHSA-N 337.463 4.576 0 40 EJAB Cc1nn(-c2ccc(NC(=O)Nc3ccccc3)cc2)c(C)c1Cl 27924962 QBNAHQWKBSIYQC-UHFFFAOYSA-N 340.814 4.787 0 40 EJAB FC(F)(F)c1ccn2cc(-c3cccc(Br)c3)nc2c1 39325718 UTFGZJDBSHJONT-UHFFFAOYSA-N 341.130 4.783 0 40 EJAB CCCCNc1cc(C)nc2c(C)c(-c3cccc(Cl)c3)nn12 40216705 AKYBXHYOLNYQFK-UHFFFAOYSA-N 328.847 4.879 0 40 EJAB Cc1ccc([C@H](C)NC(=O)[C@@H](C)SCc2ccccc2)c(C)c1 44902175 UQFCWIZSYLWDIJ-DLBZAZTESA-N 327.493 4.803 0 40 EJAB Cc1ccc(C)c([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)c1 59351460 OTVIJUITKKKGLX-QZTJIDSGSA-N 325.452 4.565 0 40 EJAB C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)c2ccc(O)c(Cl)c2)C2CC2)o1 71811818 USWPIBHHGRRSJT-ABAIWWIYSA-N 345.826 4.567 0 40 EJAB CCc1nc(C)c2c(C)c(C(=O)N(C3CC3)[C@H](C)C(C)C)sc2n1 71844019 YOACSGCXIDRRCA-CYBMUJFWSA-N 345.512 4.520 0 40 EJAB O[C@H](c1ccc(Cl)cc1Cl)c1sccc1-c1ncc[nH]1 75270706 JKBYEVQJKGZTAZ-GFCCVEGCSA-N 325.220 4.527 0 40 EJAB Cc1cccc2c1C(=O)N[C@H](c1ccc(F)c(-c3cccs3)c1)N2 89688962 ZWJBXAWRBFHUAR-GOSISDBHSA-N 338.407 4.717 0 40 EJAB c1ccc2[nH]c([C@H]3CCCCN3c3ncnc4sccc34)cc2c1 89872995 BVCFTBPLQLGAFO-QGZVFWFLSA-N 334.448 4.904 0 40 EJAB O=C(c1cccc(Cl)c1)N(CCc1cccs1)Cc1ccoc1 90612307 JSDRZZYVFXZNLI-UHFFFAOYSA-N 345.851 4.880 0 40 EJAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccc(Cl)cc1 223095708 BDFZFQXQHNKCLZ-CYBMUJFWSA-N 329.827 4.625 0 40 EJAB CC(C)(C)NC(=O)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 224924340 KPYNNVWLURSEKW-UHFFFAOYSA-N 338.382 4.676 0 40 EJAB CC1(C)C[C@@H](NC(=S)Nc2ccc(Cl)cc2)c2ccccc2O1 225575449 DOLXBXNNXWMMOY-OAHLLOKOSA-N 346.883 4.929 0 40 EJAB Cc1ccc(C(=O)Nc2cc(C)ccc2-c2ccc(C(=O)O)o2)cc1 226356568 KNHXTKNBOWGPHO-UHFFFAOYSA-N 335.359 4.514 0 40 EJAB CC[C@H](C)c1ccc([C@@H](NC(=O)c2cnc[nH]2)c2cccs2)cc1 511104849 IUBKTVCNHKSNDV-SCLBCKFNSA-N 339.464 4.504 0 40 EJAB CC(C)c1ccoc1C(=O)N(C(C)C)[C@H]1CCCc2cccnc21 585081238 SLHUKODHOFLDDJ-KRWDZBQOSA-N 326.440 4.726 0 40 EJAB Cc1ccc2nc(NC(=O)c3cccc(C(F)(F)F)c3)sc2c1 253428 JTXTWHKWLZYSLP-UHFFFAOYSA-N 336.338 4.876 0 40 EJAB O=C(Nc1ccc(Cl)cc1Cl)c1ccc(OC(F)F)cc1 374621 FICFPKRZHLKFMN-UHFFFAOYSA-N 332.133 4.847 0 40 EJAB Oc1ccccc1-c1nc(Oc2ccccc2F)c2ccccc2n1 540978 FQZOPDIMOBAZHU-UHFFFAOYSA-N 332.334 4.934 0 40 EJAB CC[C@@H](C)Oc1ccc(/C=C2/SC(=O)N(CC)C2=O)cc1Cl 980976 ZSLJVQNWQXUPIK-GMROUXNLSA-N 339.844 4.574 0 40 EJAB Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(F)cc2)o1 1018757 FKLZLVMZAXCPPU-GHTZIAJQSA-N 348.377 4.969 0 40 EJAB CC(=O)c1c(C)[nH]c(C(=O)Nc2ccccc2Cc2ccccc2)c1C 2664268 FBYCMJAFLQNDLD-UHFFFAOYSA-N 346.430 4.677 0 40 EJAB O=C1OC(c2ccc(Oc3ccccc3)cc2)=N/C1=C/c1cccs1 3236061 YBAYIHBBOUKFMK-QGOAFFKASA-N 347.395 4.885 0 40 EJAB C[C@@H]1CCCCN1CC(=O)Nc1ccccc1Sc1ccccc1 3583706 WTMAWVDVNDTYRK-MRXNPFEDSA-N 340.492 4.651 0 40 EJAB CC[C@@H](O)c1nc2ccccc2n1CCCCOc1ccccc1C 4386182 FOKHJEKGWOLCML-LJQANCHMSA-N 338.451 4.647 0 40 EJAB CSc1nc2ccc(NC(=O)c3ccccc3SC)cc2s1 4517372 VVMLTCIVMTXELQ-UHFFFAOYSA-N 346.502 4.992 0 40 EJAB CNc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 6871703 SNFQILOZOIILID-UHFFFAOYSA-N 334.810 4.783 0 40 EJAB COc1ccc(NC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)c(OC)c1 6946820 WZECDUCNRLQLAP-SFHVURJKSA-N 347.842 4.736 0 40 EJAB O=C(c1csc2c1CC[C@@H](c1ccccc1)C2)N1CCCCC1 10219804 JFPPAJKZRREGLI-MRXNPFEDSA-N 325.477 4.647 0 40 EJAB CSc1ccc(NC(=O)c2c[nH]c(=S)n2-c2ccccc2)cc1 12039730 KOVCIYIAWZWRFY-UHFFFAOYSA-N 341.461 4.509 0 40 EJAB CCOc1ccccc1/C=C/C(=O)N1CCc2sccc2[C@H]1CC 12887361 QMNVQURUARVYKV-OAGJVSPASA-N 341.476 4.696 0 40 EJAB C[C@@H](NC(=O)N(C)Cc1cccc(Cl)c1Cl)c1cccs1 12984834 KKEURBOQGGLZEO-SNVBAGLBSA-N 343.279 4.958 0 40 EJAB O=C(N[C@H]1CCSc2ccccc21)c1ccccc1C(F)(F)F 14022348 PHXVHWZFCMGBAX-AWEZNQCLSA-N 337.366 4.672 0 40 EJAB Clc1ccc(-c2nc(-c3cccc(Br)c3)no2)s1 14074980 RKVHAPPPRILHNW-UHFFFAOYSA-N 341.617 4.881 0 40 EJAB C[C@H](CCn1ccc2ccncc21)NCc1ccc(C(F)(F)F)cc1 19455853 ADDYSFSFDBJWGM-CQSZACIVSA-N 347.384 4.624 0 40 EJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(OC(C)C)c1 20108882 ZWLZEMXPUYXQPQ-GOSISDBHSA-N 347.842 4.923 0 40 EJAB Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(COc3ccccc3)o2)c1 24958535 QOORIXOAWNJJRB-KRWDZBQOSA-N 349.430 4.966 0 40 EJAB O=C(CN(Cc1ccccc1)C1CC1)Nc1c(Cl)cccc1Cl 25120125 VJXLNCJRRNGOLX-UHFFFAOYSA-N 349.261 4.597 0 40 EJAB Cc1cc(C)cc(CSCC(=O)N[C@H]2CCCc3ccccc32)c1 30751455 VIEWBNNNWLPJBV-FQEVSTJZSA-N 339.504 4.730 0 40 EJAB CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@H](C)c1ccc(F)cc1 30848555 WETOUCQQAVXXNA-MLGOLLRUSA-N 335.806 4.514 0 40 EJAB CCC[C@H](O)c1nc2ccccc2n1CCOc1ccc(C)c(C)c1 31903297 GZWVIOZVKCMVSL-FQEVSTJZSA-N 338.451 4.566 0 40 EJAB Nc1nc2c(s1)[C@H](c1cccc(Oc3ccccc3)c1)CC(O)=N2 36359629 RRUSIWPBCWCSSE-AWEZNQCLSA-N 337.404 4.641 0 40 EJAB CC[C@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)c1ccc(C)cc1C 44904302 PPSBDZMMOCHWHV-YJBOKZPZSA-N 345.870 4.992 0 40 EJAB CCc1ccc([C@@H](NC(=O)CCc2nc3ccccc3[nH]2)C(C)C)cc1 45777405 WKCKVOWZFSSDOU-QFIPXVFZSA-N 349.478 4.571 0 40 EJAB Cc1ccc(-c2nc(C)c(C(=O)Nc3ccc(F)cn3)s2)c(C)c1 60380971 CHUUYZUVNSWQHY-UHFFFAOYSA-N 341.411 4.522 0 40 EJAB CC(C)(C)CC(=O)N1CCCC[C@@H]1c1ncc(-c2cccc(F)c2)[nH]1 68339464 GPOXEFVNYCAKOA-QGZVFWFLSA-N 343.446 4.706 0 40 EJAB c1ccc(COc2ncccc2[C@@H]2CCCN2Cc2ccccc2)cc1 72212069 NTGTUBVPDQVGBS-QFIPXVFZSA-N 344.458 4.998 0 40 EJAB Fc1ccc(-c2cccc([C@H]3CCCN(Cc4ccccn4)C3)n2)cc1 72348921 JMPAYXRZELBZDR-SFHVURJKSA-N 347.437 4.662 0 40 EJAB CN(Cc1ccco1)C(=O)c1ccc(Oc2ccccc2Cl)o1 96183829 QARRRZXWGUUKLO-UHFFFAOYSA-N 331.755 4.591 0 40 EJAB O=C1CC(c2ccccc2)=Nc2ccccc2N1Cc1ccccc1 100481921 QZZPBHCRLUQNKW-UHFFFAOYSA-N 326.399 4.744 0 40 EJAB COc1cc(C)c(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)cc1C 222397205 UTKXMCDSPXDRKH-NVNXTCNLSA-N 347.336 4.824 0 40 EJAB CCC[C@H](C)NC(=O)c1ccc(OC)c(COc2cccc(C)c2)c1 224115645 QMSKBCUEHORZIT-INIZCTEOSA-N 341.451 4.501 0 40 EJAB CCc1ccc(C[C@@H](Oc2ccc(C(C)(C)C)cc2)C(=O)O)cc1 225042843 BYUBLRBWASOKQL-LJQANCHMSA-N 326.436 4.621 0 40 EJAB Cc1nc2cc(NC(=O)N3CC[C@@H](c4ccccc4)C3)ccc2s1 408977881 KITKAVNJTTYTRH-OAHLLOKOSA-N 337.448 4.626 0 40 EJAB Cc1nc(-c2cccc(N[C@H]3CCN[C@H](c4ccccc4)C3)c2)oc1C 572510842 WBZSAIYPEBRCGK-SFTDATJTSA-N 347.462 4.864 0 40 EJAB Cc1ccc2nc([C@@H]3CCCN3c3ccc(C(F)(F)F)cn3)[nH]c2c1 577691327 XCSQJFMCGIMNDW-HNNXBMFYSA-N 346.356 4.627 0 40 EJAB COC(=O)c1ccc(Cl)c(Nc2ccccc2Br)c1 1857793637 MKLVOAHNVSOFPV-UHFFFAOYSA-N 340.604 4.633 0 40 EJAB O=C(c1c[nH]c2ccccc2c1=O)N(c1ccccc1)c1ccccc1 43494 SELGYTZPMMPMAY-UHFFFAOYSA-N 340.382 4.507 0 40 EJAB COc1ccccc1OC(=O)NC1c2ccccc2Oc2ccccc21 78353 WIKXFGSTUUHZET-UHFFFAOYSA-N 347.370 4.679 0 40 EJAB COc1cccc(C(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)c1 142762 UGPJBJBSDIBMAD-UHFFFAOYSA-N 338.432 4.688 0 40 EJAB FC(F)(F)c1cc(-c2cccs2)nc(NCCc2ccccc2)n1 213296 RXMFHNGNDRMFEG-UHFFFAOYSA-N 349.381 4.879 0 40 EJAB O=C(Nc1cccc(Br)c1)C1(c2ccccc2)CCCC1 2584635 WEDRDHVXLOWTAR-UHFFFAOYSA-N 344.252 4.900 0 40 EJAB CC(C)(C)c1ccc(OCCC(=O)NCc2ccccc2Cl)cc1 3297501 QTPPDJSOSBENFN-UHFFFAOYSA-N 345.870 4.723 0 40 EJAB Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)n1nc(C)c(Cl)c1C 4937338 OYRCHBOBELSKNG-SNVBAGLBSA-N 340.254 4.705 0 40 EJAB CCCOc1ccc(C(=O)Nc2nc3ccc(Cl)cc3s2)cc1 6265026 APRCIMQHLKTWIZ-UHFFFAOYSA-N 346.839 4.991 0 40 EJAB Cc1cc(OCC(=O)Nc2cccc3cccnc23)cc(C)c1Cl 6281040 GPMYSGJAPYTJGC-UHFFFAOYSA-N 340.810 4.523 0 40 EJAB Cc1ccc(C(C)C)c(OCC(=O)N[C@@H](C)CCc2ccccc2)c1 6375729 CTAZDELOTLZTFK-SFHVURJKSA-N 339.479 4.635 0 40 EJAB COc1ccc(C)cc1NC(=O)c1cccc(OCc2ccccc2)c1 6394945 URNCRUGITVQFIE-UHFFFAOYSA-N 347.414 4.835 0 40 EJAB Cc1cccn2c(NC(=O)Cc3cccs3)c(-c3ccccc3)nc12 6608543 ZLGVXFJIRUUQSO-UHFFFAOYSA-N 347.443 4.552 0 40 EJAB Cc1cc(NC(=O)c2ccc(Cl)cc2Cl)n(-c2ccccc2)n1 6881779 AJPLAFYBSJYISV-UHFFFAOYSA-N 346.217 4.740 0 40 EJAB COc1ccc(SCC(=O)Nc2c(C)cccc2C(C)C)cc1 7790024 AGWXOXAAJYVPLE-UHFFFAOYSA-N 329.465 4.858 0 40 EJAB Cc1cccc(Nc2nc(C)c3c(n2)C[C@@H](c2cccs2)CC3=O)c1 10156883 YWKIKMHAZXDGRF-CQSZACIVSA-N 349.459 4.811 0 40 EJAB CC[C@H](C)c1ccc(N[C@@H](c2ccsc2)P(=O)(O)O)cc1 12526549 GFRMMYOFIZTLHS-XHDPSFHLSA-N 325.370 4.550 0 40 EJAB COc1ccc(-c2ccc(CCC(=O)Nc3ccc(C)cc3)o2)cc1 15867361 MYWPCCSHQYANMP-UHFFFAOYSA-N 335.403 4.835 0 40 EJAB O=C(NCCc1ccc(Cl)cc1)c1cccc(Cl)c1Cl 17297602 NCNLTGWFMZZQBZ-UHFFFAOYSA-N 328.626 4.619 0 40 EJAB CC(C)C[C@H](NC(=O)CCCOc1ccccc1)c1ccccc1 20487699 HXSYJYXBBUPSBI-FQEVSTJZSA-N 325.452 4.749 0 40 EJAB Cc1sc(-c2ccco2)nc1C(=O)N1CC[C@H](C)c2ccccc21 31781025 AUWGHGBGTOMIKD-LBPRGKRZSA-N 338.432 4.866 0 40 EJAB CNCc1ccccc1Oc1ccc(Cl)cc1Br 34664812 MKDXBQHPQSNIHX-UHFFFAOYSA-N 326.621 4.614 0 40 EJAB CCCCOc1ccc(NC(=O)N[C@@H](C)Cc2cccs2)cc1 38489516 CKMKWQCZNDCQEO-AWEZNQCLSA-N 332.469 4.680 0 40 EJAB Cc1ccc(C)c(OCC(=O)N[C@H](CC(C)C)c2ccccc2)c1 38756934 RGHNKSNOSLZCDK-LJQANCHMSA-N 325.452 4.586 0 40 EJAB CSc1ccccc1NC(=O)[C@H](C)Oc1ccccc1C(C)C 44844646 CERCCJBMELFLMP-AWEZNQCLSA-N 329.465 4.938 0 40 EJAB COc1ccc(NC(=O)Nc2cc(C)c(Cl)cc2OC)c(C)c1 51355950 FWEAPFFFQKTERV-UHFFFAOYSA-N 334.803 4.618 0 40 EJAB C[C@@H](NC(=O)c1ccc(Sc2ccccn2)cc1)c1ccccc1 58157311 YJETVXVRSYXMDO-OAHLLOKOSA-N 334.444 4.724 0 40 EJAB CCc1ccc([C@@H](C)NC(=O)[C@H](CC)Oc2ccc(Cl)cc2)cc1 78458469 HCYJDZVQZXCKDJ-KUHUBIRLSA-N 345.870 4.937 0 40 EJAB COc1ccc2nc(Nc3cccc(Br)c3)sc2c1 95082235 ZPVBAHWOJOSKDS-UHFFFAOYSA-N 335.226 4.811 0 40 EJAB Cc1ccc2c(c1)[nH]c1c(N3C[C@]4(C)C[C@@H]3CC(C)(C)C4)ncnc12 101172328 FRHBWSBLWONNKN-LHSJRXKWSA-N 334.467 4.825 0 40 EJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1cccc(SC)c1 216487571 LNFGDYNSKRSFBJ-KRWDZBQOSA-N 329.465 4.821 0 40 EJAB C[C@H](CCc1ccccc1)NC(=O)COc1ccc(C(C)(C)C)cc1 218930382 DAUZPRJTMFGBLK-QGZVFWFLSA-N 339.479 4.500 0 40 EJAB C[C@@H](SCc1ccccc1)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 223153773 MQIIRGBUMJBGBO-HZPDHXFCSA-N 339.504 4.674 0 40 EJAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)c1 225321781 NTJJCQGXVIDPPG-SJORKVTESA-N 337.463 4.864 0 40 EJAB CCOc1ccc(CCCNC(=S)Nc2ccc(Cl)cc2)cc1 225621498 DDWXLVAJJZAHBR-UHFFFAOYSA-N 348.899 4.658 0 40 EJAB Cc1ccc(-c2ccc(C(=O)Nc3cccc(N)c3)o2)cc1Cl 226763760 UWIHANWXIQZRGI-UHFFFAOYSA-N 326.783 4.743 0 40 EJAB CCOc1cc(C(=O)Nc2c(C)cccc2C)cc(Cl)c1OC 408621625 OWPNMHXWRZKJCT-UHFFFAOYSA-N 333.815 4.616 0 40 EJAB COc1ccc(CN2CCC[C@H](c3nccs3)C2)c2ccccc12 513078677 ZEVQAJBDEAKRGX-INIZCTEOSA-N 338.476 4.685 0 40 EJAB COc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(C)cc2)cc1 175926 OSWMWLNZWFUBAR-NRFANRHFSA-N 344.414 4.775 0 40 EJAB O=C(NC1CCCCC1)c1cc(-c2ccc(Cl)c(Cl)c2)on1 425703 OJQDBALJKFRQIS-UHFFFAOYSA-N 339.222 4.711 0 40 EJAB O=c1c(Cl)c(Sc2ccc(Cl)cc2)cnn1-c1ccccc1 480064 TVLDSTFKFXBXIK-UHFFFAOYSA-N 349.242 4.691 0 40 EJAB CC(=O)c1sc2nc(-c3cccs3)c3c(c2c1N)CCCC3 534220 AJVKOALJIZJBRQ-UHFFFAOYSA-N 328.462 4.688 0 40 EJAB CCCN1[C@@H]2CCC[C@@H]1CC(NC(=O)c1ccc(C(C)(C)C)cc1)C2 1369937 OFKUSYBRPXZRKU-WOJBJXKFSA-N 342.527 4.509 0 40 EJAB Cc1cccc(NC(=O)Nc2ccc(OC(F)F)c(Cl)c2)c1 2652806 YPSUQQNSISMCQG-UHFFFAOYSA-N 326.730 4.894 0 40 EJAB Cc1cc2occ(CC(=O)N[C@H]3CCCc4ccccc43)c2cc1C 3326904 KXWAKLJSDXMEOB-FQEVSTJZSA-N 333.431 4.786 0 40 EJAB Cc1cccc(O[C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)c1 3606907 FFLPNPJLJPHGNM-GOSISDBHSA-N 345.442 4.668 0 40 EJAB CC(=O)N(CCCN(C)C)C[C@@H]1CC=C(CCC=C(C)C)C[C@@H]1C 4025882 YFSDFXHVCMRUBE-RXVVDRJESA-N 334.548 4.506 0 40 EJAB biogenic Cc1ccc(NC(=O)COc2ccc3c(c2)[nH]c2ccccc23)cc1 5498115 HOEFPWUBFCNFNZ-UHFFFAOYSA-N 330.387 4.647 0 40 EJAB CC[C@H](C(=O)NCCc1ccc(Cl)cc1Cl)c1ccccc1 6606744 KUDDLMLNVQLMGY-INIZCTEOSA-N 336.262 4.846 0 40 EJAB CCCCCNCc1ccc(OCc2ccccc2F)c(OC)c1 7261290 GBRXOUDHDDXQAJ-UHFFFAOYSA-N 331.431 4.693 0 40 EJAB COc1ccc(Br)cc1CNC1CCCCCCC1 7523312 NYMCMVYSHQBYIQ-UHFFFAOYSA-N 326.278 4.660 0 40 EJAB CCn1c(SCCOc2cc(C)cc(C)c2)nc2ccccc21 12062344 QRBMXFLKTNUPHF-UHFFFAOYSA-N 326.465 4.844 0 40 EJAB Brc1ccc([C@H]2SCc3nc4ccccc4n32)cc1 13220132 VAZZLVFERHJLEV-OAHLLOKOSA-N 331.238 4.593 0 40 EJAB CC(C)c1cccc(C(C)C)c1OCCCN1C[C@H](C)O[C@H](C)C1 14083927 BQORZYXEEBAHHD-HDICACEKSA-N 333.516 4.812 0 40 EJAB C[C@@H](OC(=O)c1ccc2ccccc2c1)C(=O)c1cccc(Cl)c1 14681763 LTVRSXLHFMOKQA-CYBMUJFWSA-N 338.790 4.921 0 40 EJAB COc1cc(N)c(Cl)cc1C(=O)OCc1ccc(C(C)(C)C)cc1 14705547 GTDCZCYGJGAOPG-UHFFFAOYSA-N 347.842 4.585 0 40 EJAB COc1ccc(-c2ccc(CCC(=O)Nc3cccc(F)c3)o2)cc1 15867360 AIZTWASEIFQYDT-UHFFFAOYSA-N 339.366 4.666 0 40 EJAB C[C@@H](Sc1ccc(N)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 17071355 JSROSNJVDYDFER-SECBINFHSA-N 341.263 4.695 0 40 EJAB CCOc1ccccc1C(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 21357333 ISPNIKOIKDWORD-GFCCVEGCSA-N 337.341 4.595 0 40 EJAB FC(F)(F)c1ccc2nnc(S[C@@H]3CCCc4ccccc43)n2c1 32931649 JGFWMLDESYCQCP-CQSZACIVSA-N 349.381 4.918 0 40 EJAB Cc1ccccc1[C@H]1CCCN1C(=O)Cc1c(F)cccc1Cl 36620631 LSZQJJAZJKAOPZ-GOSISDBHSA-N 331.818 4.694 0 40 EJAB Cc1ncc(C(=O)N(c2cccc3cccnc23)C2CCCC2)s1 69324012 ASVQKHHBXUIDLY-UHFFFAOYSA-N 337.448 4.589 0 40 EJAB Cc1nn(C(C)C)c(C)c1NC(=O)c1cc(C2CC2)nc2ccccc12 69970536 JHRRJHQICLLPGB-UHFFFAOYSA-N 348.450 4.759 0 40 EJAB CCN1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C(C)C 72214934 NMYGGXVYBRDZGX-QGZVFWFLSA-N 347.503 4.778 0 40 EJAB CCCCN1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccs1 72314846 UQQSCVHTFHOLHM-LJQANCHMSA-N 331.481 4.513 0 40 EJAB COc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCCCC[C@@H]1c1ccco1 75142743 HVHHXPKFXHHYMQ-OKZBNKHCSA-N 339.435 4.536 0 40 EJAB CC[C@H](C(=O)NCC[C@H](O)c1cccc2ccccc12)c1ccccc1 77116618 YJWRDUPEYXBPPB-UGKGYDQZSA-N 347.458 4.573 0 40 EJAB CCc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccccc2Cl)cc1 78458063 QKFSZNWJPYNKBP-KBPBESRZSA-N 331.843 4.547 0 40 EJAB Cc1cc(OCC(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)cc(C(C)C)c1 102264005 YCKWRUYXHKOFKF-GCJKJVERSA-N 343.511 4.924 0 40 EJAB CN(Cc1ccccc1)C(=O)CCCSc1ccc(Cl)cc1 222681436 YUCAWVQYMDDJAM-UHFFFAOYSA-N 333.884 4.871 0 40 EJAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCc1ccc2ccccc2c1 222815963 HPUNBWQDJRLQTO-OAQYLSRUSA-N 347.458 4.930 0 40 EJAB S=C(NCC1(c2cccc(Cl)c2)CCCC1)Nc1ccncc1 223987534 JPQBJDWTCIYOEG-UHFFFAOYSA-N 345.899 4.533 0 40 EJAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc2c(c1)CCCC2 225633092 FOPLRTPSBBSGQP-HXUWFJFHSA-N 349.474 4.906 0 40 EJAB CCCOc1ccc(NC(=O)C2(OCCC)CCC(C)CC2)cc1 225667791 WALPOOXXHHNMBN-UHFFFAOYSA-N 333.472 4.789 0 40 EJAB O=C(CSCc1ccccc1Cl)Nc1cccc(Cl)c1 408775557 ILBKWPCELPOYNI-UHFFFAOYSA-N 326.248 4.865 0 40 EJAB Cc1cc(Cl)ccc1N[C]1NC(=O)/C(=C/c2ccc(F)cc2)S1 408810814 MXHVAXGWZCONLO-UHFFFAOYSA-N 347.822 4.551 0 40 EJAB CC(C)[C@H]1CCCCN1c1cc(C(F)(F)F)c2cccc(O)c2n1 685938604 XCQSDNSHGBRNRB-CQSZACIVSA-N 338.373 4.974 0 40 EJAB Cc1ccccc1NC(=O)CSc1nc2cc(Cl)ccc2s1 554290 WEUBPVMGEWATFR-UHFFFAOYSA-N 348.880 4.989 0 40 EJAB CCn1c(=S)sc2c(N3CCCC3)nc(-c3ccccc3)nc21 1425586 JJOXHOPMFOGNPG-UHFFFAOYSA-N 342.493 4.509 0 40 EJAB O=C(Nc1ccccc1Cl)Nc1ccccc1Br 1732161 LPQQJLKNLFKJSM-UHFFFAOYSA-N 325.593 4.747 0 40 EJAB CSc1cccc(NC(=O)OCCOc2ccccc2Cl)c1 1753760 WJPMAPORYQYTOG-UHFFFAOYSA-N 337.828 4.689 0 40 EJAB Cc1cc(SCc2ccccc2)n2ncc(-c3ccccc3)c2n1 2398847 VECDJNMICIXTPZ-UHFFFAOYSA-N 331.444 4.997 0 40 EJAB Cc1cc(OCC(=O)NCc2cccs2)c(C(C)C)cc1Cl 3579070 OTYFSGMZIQNTER-UHFFFAOYSA-N 337.872 4.529 0 40 EJAB O=C(Nc1ccc(F)cc1)c1ccc2noc(-c3ccccc3)c2c1 5034750 IQPZFBODSWASFC-UHFFFAOYSA-N 332.334 4.886 0 40 EJAB Cc1ccc([C@@H]2c3cccn3CCN2C(=O)Nc2cccc(C)c2)cc1 5256418 DHIRDMPFLQWYLJ-OAQYLSRUSA-N 345.446 4.742 0 40 EJAB CCCCCC(CCCCC)NC[C@@H](C)OC(=O)c1ccc(N)cc1 5421783 HKRGKXGAYVHIKD-QGZVFWFLSA-N 348.531 4.933 0 40 EJAB Cc1cc(C(F)(F)F)n2nc(-c3sccc3-n3cccc3)cc2n1 5697926 WIUITDRRMMWTAN-UHFFFAOYSA-N 348.353 4.576 0 40 EJAB C[C@H]1CCCc2sc3[nH]c(=S)n(-c4ccccc4)c(=O)c3c21 5818045 YMUVRKAPBOVRBN-JTQLQIEISA-N 328.462 4.550 0 40 EJAB CCn1c(S[C@H](C)c2ccccc2)nnc1-c1ccc(OC)cc1 5850604 AKEBFMIERSJXNT-CQSZACIVSA-N 339.464 4.827 0 40 EJAB Cc1cnc(NC(=O)CSc2cccc3cccc(Cl)c23)s1 5860796 YIONYPGVSYNNKF-UHFFFAOYSA-N 348.880 4.989 0 40 EJAB O=C(CSc1nnc(-c2ccccc2F)o1)c1ccccc1Cl 7192027 GVMFATUBRZLWKR-UHFFFAOYSA-N 348.786 4.504 0 40 EJAB Cc1cc(/C=C(\Cl)c2nc(-c3cccs3)no2)cc(C)c1O 7913338 LCPQUYJYBPSIPK-WQLSENKSSA-N 332.812 4.857 0 40 EJAB CSc1ncccc1C(=O)N[C@@H](Cc1ccccc1)c1ccccc1 7987551 PFJFZSHWNBDOBF-IBGZPJMESA-N 348.471 4.517 0 40 EJAB Cn1c(SCc2cscn2)nnc1-c1ccc(C(C)(C)C)cc1 8313597 YMDGYNHDAIOPAU-UHFFFAOYSA-N 344.509 4.528 0 40 EJAB Cc1ccc2nc(CSc3ccccc3Br)cn2c1 8542374 CIPNQXZOQJYNMK-UHFFFAOYSA-N 333.254 4.698 0 40 EJAB Cc1c2occ(C(C)(C)C)c2cc2c3c(/c(=N\O)oc12)CCCC3 9184516 IWSQLPOICYVWMA-XUTLUUPISA-N 325.408 4.954 0 40 EJAB COc1cc(/C=C/c2ccncc2)ccc1OC(=O)c1cccs1 11858465 YUYCSSHYRGDUKI-SNAWJCMRSA-N 337.400 4.541 0 40 EJAB CN(C(=O)c1ccc2noc(-c3ccccc3)c2c1)c1ccccc1 12935801 KALXFTYMJPUQBC-UHFFFAOYSA-N 328.371 4.771 0 40 EJAB Cc1cccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c1 13669721 FXFKGLCLXZRRSJ-IRXDYDNUSA-N 339.479 4.937 0 40 EJAB CC(C)=C[C@@H]1[C@@H](C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)C1(C)C 15022291 ITSBNEWNJSOISB-OVJDGSIDSA-N 329.528 4.946 0 40 EJAB CC1(C)CC(=O)c2c(Nc3ccc(F)cc3)nn(-c3ccccc3)c2C1 20672060 HFXIPHGQBGFQMX-UHFFFAOYSA-N 349.409 4.910 0 40 EJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cccc(OC(C)C)c1 22529121 HALNRUSQSIBXGO-FQEVSTJZSA-N 341.451 4.887 0 40 EJAB Cc1ccc(Cl)cc1NC(=O)c1c(C)nn(-c2ccccc2)c1C 28238637 WNYVFCSKLZROBW-UHFFFAOYSA-N 339.826 4.703 0 40 EJAB CN(Cc1coc(-c2ccc(F)cc2)n1)[C@H]1CCCc2ccccc21 28966322 VPNVXLZXHNKVBK-FQEVSTJZSA-N 336.410 4.990 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)COc2cc(C)c(Cl)c(C)c2)c(C)c1 30867487 HJSJASFYLOOBKS-MRXNPFEDSA-N 345.870 4.830 0 40 EJAB CC(C)=C[C@@H]1[C@H](C(=O)Nc2cccc(-c3ccnc(C)n3)c2)C1(C)C 31800556 PVMHWBYPJBYGBG-IEBWSBKVSA-N 335.451 4.629 0 40 EJAB COC(=O)c1cccc(Nc2ccnc3c(C(F)(F)F)cccc23)c1 34925925 WLHKCCRHCNEPKS-UHFFFAOYSA-N 346.308 4.784 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)c2cc(C3CC3)nc3onc(C)c23)c(C)c1 36614087 QRIFBDMIRKEIRH-CYBMUJFWSA-N 349.434 4.516 0 40 EJAB Cc1cccc(Cn2cnc3c(-c4ccccc4C)csc3c2=O)c1 38655064 AGYIEHLPIVGJKH-UHFFFAOYSA-N 346.455 4.790 0 40 EJAB O=C(Nc1nccs1)N[C@@H](c1ccccc1)c1cc2ccccc2o1 42755475 CZWAOAGOLNIFAH-KRWDZBQOSA-N 349.415 4.800 0 40 EJAB O=C(c1ccc2cc[nH]c2c1)N(Cc1ccccc1)Cc1ccco1 54983735 FLRFEQMRFFVBFP-UHFFFAOYSA-N 330.387 4.604 0 40 EJAB Cc1cc(C)c2oc(-c3cccc(NC(=O)C(F)(F)F)c3)nc2c1 57316755 WYQLNCDMZVWSQY-UHFFFAOYSA-N 334.297 4.612 0 40 EJAB CCc1cccc(CC)c1NC(=O)CSCc1ccccc1C 58172270 JGQKODPSJWYSCZ-UHFFFAOYSA-N 327.493 4.992 0 40 EJAB Cc1ccc([C@H](C)NC(=O)c2cc(-c3ccco3)nc3ccccc23)o1 58416908 XYGFBUSSACXFQT-AWEZNQCLSA-N 346.386 4.887 0 40 EJAB Cc1ccc(C)c([C@H](C)NC(=O)[C@@H](C)Oc2ccccc2Cl)c1 59351478 YUGVQAGPFAIUBO-LSDHHAIUSA-N 331.843 4.602 0 40 EJAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N(C)[C@@H](C)c1ccco1 69103835 BCGFFWGPJJKDSV-ZFWWWQNUSA-N 330.428 4.597 0 40 EJAB CC(C)[C@@H]1CCCN1C(=O)CCc1ncc(-c2ccccc2Cl)o1 71829978 JWMHKBPXMCJJIH-INIZCTEOSA-N 346.858 4.575 0 40 EJAB O=C(Nc1ccccc1Oc1cccc(F)c1)[C@@H]1C[C@@H]1c1cccnc1 89814113 RTXDZRIFJNRCSE-QZTJIDSGSA-N 348.377 4.755 0 40 EJAB Fc1ccc(-c2n[nH]cc2CNc2ccc(Br)cc2)cc1 95352964 WUTUCZPVAYDTEL-UHFFFAOYSA-N 346.203 4.590 0 40 EJAB Cc1cccc(-c2c(NC(=O)C(C)C)oc3c(C)cccc3c2=O)c1 100676490 VIGHWJRYRYVXEP-UHFFFAOYSA-N 335.403 4.671 0 40 EJAB C[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)[C@H]1C[C@@H]2CC[C@@H]1C2 101393684 XBIOQKJAUYGCAY-DEPWHIHDSA-N 333.475 4.759 0 40 EJAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(C)cc1)c1ccc(C)c(C)c1 218973713 GCDZQOFCVFIFMX-YLJYHZDGSA-N 325.452 4.647 0 40 EJAB CCCC[C@H](CC)CNC(=O)[C@H](C)Oc1ccc2ccccc2c1 224284235 XXJXZBZBDJZWBY-IRXDYDNUSA-N 327.468 4.940 0 40 EJAB CCOC(=O)c1cc(N)ccc1Nc1ccccc1Oc1ccccc1 225494825 SXWLGYLOFYWRGX-UHFFFAOYSA-N 348.402 4.981 0 40 EJAB Cc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)cc2sc(N)nc12 226309334 CTARPFJEBCMVAQ-UHFFFAOYSA-N 339.464 4.737 0 40 EJAB Cc1ccc([C@@H]2Nc3c(C(=O)O)cccc3[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)cc1 299879272 KLQWPEILMZRYCO-GYWCDFCBSA-N 333.431 4.990 0 40 EJAB CCCCOc1ccccc1C(=O)Nc1cccc(Br)c1 408587724 UARPHRATKXJNAJ-UHFFFAOYSA-N 348.240 4.880 0 40 EJAB Cc1ccc(Nc2nnc(S[C@H](C)c3ccncc3)s2)cc1 605076145 LPBOOBURTOAVNK-GFCCVEGCSA-N 328.466 4.838 0 40 EJAB CCC[C@@H](C)c1cc(NC(=O)Nc2ccc3oc(CC)nc3c2)n[nH]1 1562394951 PZKJBIBWCSNXJA-LLVKDONJSA-N 341.415 4.661 0 40 EJAB Cc1ccc(OCC(=O)Nc2nc3ccc(Cl)cc3s2)c(C)c1 569330 RGZHPSYEILUMEM-UHFFFAOYSA-N 346.839 4.584 0 40 EJAB COc1ccc(NC(=O)c2cc3cc4ccccc4nc3s2)cc1 1399189 YVWXPSZWQVEAQS-UHFFFAOYSA-N 334.400 4.710 0 40 EJAB COc1ccc(-c2c(-c3ccc(O)cc3)c3ccccc3oc2=O)cc1 1680078 UQQONGPTWUTIEJ-UHFFFAOYSA-N 344.366 4.841 0 40 EJAB CN(C)c1cccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 2648574 RMGFUXHDOWLEOB-UHFFFAOYSA-N 342.748 4.677 0 40 EJAB Cc1cc(NC(=O)c2ccc(Cl)cc2)n(-c2cccc(Cl)c2)n1 3234327 IUMCVBAOSACKCT-UHFFFAOYSA-N 346.217 4.740 0 40 EJAB O=C(Cc1coc2cc3c(cc12)CCC3)NC1CCCCCCC1 3302576 TVQBDABJTMQKMM-UHFFFAOYSA-N 325.452 4.693 0 40 EJAB CC(=O)Nc1cccc(C(=O)OCc2ccc(-c3ccccc3)cc2)c1 3334580 QZONMCSIFHLCSY-UHFFFAOYSA-N 345.398 4.669 0 40 EJAB CCCOc1ccc(C(=O)Nc2ccc3nc(C)sc3c2)cc1 3438685 TVMCZSGQUYPGAG-UHFFFAOYSA-N 326.421 4.646 0 40 EJAB O=C(Nc1cc(F)ccc1F)c1ncoc1-c1cccc(Cl)c1 5002062 QVHVRUVRNMAARN-UHFFFAOYSA-N 334.709 4.526 0 40 EJAB N#Cc1ccccc1COc1c(Cl)cc(/C=C/C(=O)O)cc1Cl 6528696 NRHMQTNJNFZAEE-AATRIKPKSA-N 348.185 4.542 0 40 EJAB CCOc1ccccc1Nc1nnc(SCc2ccccc2)s1 6784309 CENCUANMJCNLAE-UHFFFAOYSA-N 343.477 4.973 0 40 EJAB O=C(c1ccc(-c2ccccc2F)o1)N1CC[C@H]2CCCC[C@H]2C1 8306007 CLWDBNQVMZEEMR-CABCVRRESA-N 327.399 4.738 0 40 EJAB Cc1cnc(NC(=O)c2sc(-c3ccc(Cl)cc3)nc2C)s1 10626464 OTZPKVGLENFKNX-UHFFFAOYSA-N 349.868 4.789 0 40 EJAB CCOC(=O)c1sc(Nc2cc(C)ccc2C)nc1C(F)(F)F 12394358 QTKXSQWDKKWKRS-UHFFFAOYSA-N 344.358 4.699 0 40 EJAB CCOc1ccc(-c2nc(NC(=O)c3occc3C)sc2C)cc1 12931853 YOSMZEYVSBRYFA-UHFFFAOYSA-N 342.420 4.671 0 40 EJAB C[C@]12CC[C@H]3[C@@H](CC[C@]4(C)CC5(CC[C@]34C)OCCO5)[C@@H]1CCC2=O 13398677 GOQSFMJREPWSEI-LANMLWSUSA-N 346.511 4.731 0 40 EJAB CN(Cc1ccccc1)C(=O)c1ccccc1OCc1ccccc1 13686932 KOOKVMVTKLQLGO-UHFFFAOYSA-N 331.415 4.538 0 40 EJAB CCc1cccc(CC)c1NS(=O)(=O)c1c(C)cc(C)cc1C 14255597 NOWRFGJJEDBZHZ-UHFFFAOYSA-N 331.481 4.537 0 40 EJAB COc1cc(C)c(NC(=O)c2ccc(Cl)cc2Cl)cc1OC 14713000 FRCOWBFFHDXZQG-UHFFFAOYSA-N 340.206 4.571 0 40 EJAB COc1cc(CNC2CCCC2)ccc1OCc1ccccc1C 16362747 YIHWGKKYOWPXMC-UHFFFAOYSA-N 325.452 4.615 0 40 EJAB C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)N1CCc2ccccc2C1 20962623 QYZYIHZSJPKCRT-ZDUSSCGKSA-N 339.826 4.509 0 40 EJAB COc1ccc(Cc2nc(-c3ccc(F)cc3)c(C)s2)cc1OC 25204352 ZZBWPGLKLXZHGY-UHFFFAOYSA-N 343.423 4.866 0 40 EJAB COc1cccc(OC)c1OCc1coc(-c2ccc(Cl)cc2)n1 32814188 RDQNKRPGQKEOJY-UHFFFAOYSA-N 345.782 4.591 0 40 EJAB O=C(Nc1ccc(Cl)cc1Cl)c1noc2c1CCCCC2 36352808 WHCDTHJZEYBYCW-UHFFFAOYSA-N 325.195 4.503 0 40 EJAB C[C@@H](c1ccc(F)cc1)N(C)C(=O)Nc1ccccc1N1CCCC1 40103755 XSHFYBSTXZGVEP-HNNXBMFYSA-N 341.430 4.651 0 40 EJAB CC(C)n1ncc2c1N=C(O)C[C@@H]2c1ccc(-c2ccccc2F)o1 71282663 ZDGNENHUXZUUET-ZDUSSCGKSA-N 339.370 4.987 0 40 EJAB Fc1ccccc1-c1nccnc1[C@@H]1CCCN(C2CCCCC2)C1 72358334 MBUJQHPJSMHKPQ-MRXNPFEDSA-N 339.458 4.795 0 40 EJAB Oc1ccccc1-c1nc(NCc2ccccc2)c2ccccc2n1 95545593 CYYDOMYWIALWEL-UHFFFAOYSA-N 327.387 4.615 0 40 EJAB O=C(NCc1cccs1)c1ccc(Oc2ccccc2Cl)o1 96183824 MPSAFHKCJNJGRB-UHFFFAOYSA-N 333.796 4.717 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)CCSCc2ccccc2)cc1C 218999388 NYLZFFQJOKKQFM-QGZVFWFLSA-N 327.493 4.804 0 40 EJAB O=C(Cc1cccc(Cl)c1)Nc1ccccc1C(=O)c1ccccc1 223202083 YIBITFXPGVGHKQ-UHFFFAOYSA-N 349.817 4.752 0 40 EJAB CCCc1ccc(OCCNC(=O)/C=C/c2ccc(Cl)cc2)cc1 223386402 UULLXGIICZZCGR-MDWZMJQESA-N 343.854 4.501 0 40 EJAB CCCCOCc1cc(C(=O)NCCC2=CCCCC2)ccc1OC 224433934 FFRCKRQYVBNDBD-UHFFFAOYSA-N 345.483 4.632 0 40 EJAB Cc1ccc([C@H]2CCCCN2C(=O)Nc2cnn(CC(C)C)c2)cc1 608334771 AVHUZLCVHIATPL-LJQANCHMSA-N 340.471 4.607 0 40 EJAB CCC(=O)c1ccc(Oc2ncnc3sc4c(c23)CCCC4)cc1 102588 KGRXPNQLBPSRQL-UHFFFAOYSA-N 338.432 4.955 0 40 EJAB COc1ccc(CNc2c(-c3cccs3)nc3ccccn23)cc1 413666 USMZSAPJABRMQU-UHFFFAOYSA-N 335.432 4.684 0 40 EJAB Cc1cccc(C)c1NC(=O)N1CCC(n2cnc3ccccc32)CC1 1380351 FWJMBNDVJWHPTR-UHFFFAOYSA-N 348.450 4.522 0 40 EJAB Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cccc(F)c2)o1 1407911 JEGPZCQKPPPDBE-GHTZIAJQSA-N 348.377 4.969 0 40 EJAB CCN(CC)CCCNc1nc(-c2ccc(C)cc2)nc2ccccc12 1775401 WPZQANGWHDAYOP-UHFFFAOYSA-N 348.494 4.749 0 40 EJAB CC1(C)C[C@@H]2C[C@@](C)(CN2c2ncnc3sc4c(c23)CCCC4)C1 1778475 ZXKKXZFPKWPHJY-ZUOKHONESA-N 341.524 4.975 0 40 EJAB CCc1ccccc1N1COc2c(cc3c(CC)cc(=O)oc3c2C)C1 2114190 COEFTCDEJFCBJJ-UHFFFAOYSA-N 349.430 4.583 0 40 EJAB biogenic c1ccc(-c2ccc(OCc3nc(-c4ccccc4)no3)cc2)cc1 2631284 BROFAXNNXDKMAE-UHFFFAOYSA-N 328.371 4.983 0 40 EJAB C[C@H](Sc1ccccc1F)C(=O)Nc1ncc(Cl)cc1Cl 3473428 KIOZMVNYZAKTNH-QMMMGPOBSA-N 345.226 4.647 0 40 EJAB Cc1ccc(N2C(=N)S/C(=C/c3sccc3C)C2=O)cc1C 3903062 DYQUUKYLMFUJEB-DXNWLBCQSA-N 328.462 4.729 0 40 EJAB Cc1ccc(SCCC(=O)Nc2nc3ccccc3s2)cc1 4496504 FYMRSASOXVKMSM-UHFFFAOYSA-N 328.462 4.726 0 40 EJAB O=C(NC12CC3CC(CC(C3)C1)C2)N1CCC[C@H](c2ccccc2)C1 4935901 JGYAIBIEFQEVPW-BUMILGAPSA-N 338.495 4.544 0 40 EJAB CCc1nc(Nc2ccc(NC(C)=O)cc2)c2oc3ccccc3c2n1 5164778 KXHOTUACVSVKPS-UHFFFAOYSA-N 346.390 4.640 0 40 EJAB Cc1ccc(OC(F)F)c(C(=O)CSc2nc3ccccc3o2)c1 5628718 YFNRBRMXQUOXOJ-UHFFFAOYSA-N 349.358 4.713 0 40 EJAB Cc1ccc2nc(SCc3cc(=O)oc4cc(C)ccc34)[nH]c2c1 5927794 OZUYUDMKROGBHA-UHFFFAOYSA-N 336.416 4.578 0 40 EJAB Cc1ccc(Cl)cc1NC(=S)NCCSc1ccccc1 7926556 IAKPEQFDQHKKQT-UHFFFAOYSA-N 336.913 4.727 0 40 EJAB Cc1ccc2c(c1)CCCN2C(=O)c1cc2cc(Cl)ccc2o1 8748526 YUVPOVZZGMVDLT-UHFFFAOYSA-N 325.795 4.988 0 40 EJAB C1=C(c2ccc(-c3ccccc3)cc2)N=C2NN=NN2[C@H]1c1ccco1 8970238 YGGXQOAEMLAPIH-GOSISDBHSA-N 341.374 4.586 0 40 EJAB O=C1CCCN1c1cccc(-c2csc(-c3cccc(F)c3)n2)c1 9578023 FQEZJCRNGYPWLN-UHFFFAOYSA-N 338.407 4.743 0 40 EJAB CC(C)(C)c1ccc(C(=O)NCCSCc2ccccc2F)cc1 13671652 WSXKKYAXHRLVPN-UHFFFAOYSA-N 345.483 4.786 0 40 EJAB CC1=C(C)[C@H](c2c[nH]c3ccccc23)N(CCc2ccccc2)C1=O 13957620 ILQUODJUHAGTHZ-OAQYLSRUSA-N 330.431 4.630 0 40 EJAB CC(C)c1ccc(-n2nc3ccc(NC(=O)C(C)(C)C)cc3n2)cc1 20610540 XRWZRZWATBQKCR-UHFFFAOYSA-N 336.439 4.529 0 40 EJAB COc1cccc(NC(=O)Nc2nc3c(C)c(C)ccc3s2)c1 28221503 PIFUFXCSCWNCEG-UHFFFAOYSA-N 327.409 4.566 0 40 EJAB O=C(Nc1ccc(F)cc1)c1cc2cc(Br)ccc2o1 28250158 LJFHCNLWRMPMEY-UHFFFAOYSA-N 334.144 4.587 0 40 EJAB CC(C)c1ccc(C(=O)[C@H](C)Sc2nnc(N)s2)c(C(C)C)c1 28669149 OZJQFAGULVGLBO-NSHDSACASA-N 349.525 4.731 0 40 EJAB CC(C)c1ccc([C@@H](C)NC(=O)c2ccc(C(F)(F)F)nc2)cc1 48287611 KHHOMHPVPUDJOO-GFCCVEGCSA-N 336.357 4.715 0 40 EJAB CCn1ccc2ccc(NC(=O)[C@H]3CCC[C@H](C(F)(F)F)C3)cc21 72292967 IKGJNXAEGAJXCU-KBPBESRZSA-N 338.373 4.968 0 40 EJAB CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3CC[C@@]2(C)C1 118914900 MBXPDDMFPRWSTF-BXVPAPGVSA-N 346.511 4.920 0 40 EJAB O=C(CCSCc1ccccc1)NCc1ccc2ccccc2c1 222788245 PTDYRASSVAMHJX-UHFFFAOYSA-N 335.472 4.780 0 40 EJAB O=C(O)[C@H](Cc1ccc(Cl)cc1Cl)Oc1cccc(Cl)c1 225085150 HWCMWXYMELTIAX-AWEZNQCLSA-N 345.609 4.722 0 40 EJAB Nc1ccc(-c2nc(-c3ccc(Cl)cc3Cl)no2)c(Cl)c1 225171518 KZGIXNCINWZJES-UHFFFAOYSA-N 340.597 4.946 0 40 EJAB O=C(NC1CCCCCCC1)c1snnc1-c1ccc(Cl)cc1 225772035 KUHTXYLXTIAVEQ-UHFFFAOYSA-N 349.887 4.701 0 40 EJAB CCOc1ccc(NC(=O)N[C@@H](C)Cc2cc3ccccc3o2)cc1 390830908 OGVHVXCOFYQPOF-AWEZNQCLSA-N 338.407 4.584 0 40 EJAB CC(C)c1ccc(NCN2C(=O)c3cccc4cccc(c34)C2=O)cc1 408723831 SLDPRMPNZOQPQZ-UHFFFAOYSA-N 344.414 4.629 0 40 EJAB C[C@@H](Nc1ccc(-c2cn3ccccc3n2)cc1)c1cncc(F)c1 537395970 OLWNOZLZGIKDGK-CQSZACIVSA-N 332.382 4.709 0 40 EJAB CC1=CC(C)(C)N2C(=O)[C@@H](CC(=O)c3ccccc3)c3cc(C)cc1c32 1740816557 LUNFKUMYJAZXLD-IBGZPJMESA-N 345.442 4.894 0 40 EJAB COc1cccc(CSc2nnc(-c3ccccc3Cl)o2)c1 1328756 OCFODGUCLFJPAI-UHFFFAOYSA-N 332.812 4.691 0 40 EJAB CC(=O)Nc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 2534734 LQOKSZMUOQATRV-UHFFFAOYSA-N 330.693 4.505 0 40 EJAB O=C(Nc1cccc2ccccc12)N(C1=NCCS1)c1ccccc1 3251947 ALUNRXRZFBOJRJ-UHFFFAOYSA-N 347.443 4.981 0 40 EJAB CC[C@H](C)N1C(=O)S/C(=C/c2cccn2-c2ccccc2C)C1=O 4457087 HVFJEJVAAYHYEK-IQGJIOQQSA-N 340.448 4.621 0 40 EJAB CC(C)CC[C@H](CCNC1CCN(C)CC1)c1ccc(Cl)cc1 6670461 NCFHPFLZMUSCGW-GOSISDBHSA-N 336.951 4.934 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)CSCc2ccc(F)cc2)cc1C 7146503 LFQMZNHMUZQPMW-OAHLLOKOSA-N 331.456 4.553 0 40 EJAB C[C@H](NC(=O)CCSc1ccc(Cl)cc1)c1ccc(F)cc1 8285359 AHPWDJCACGMYLX-LBPRGKRZSA-N 337.847 4.839 0 40 EJAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(C(F)(F)F)cc1 8499563 XYWFUICWQLCPBQ-MRXNPFEDSA-N 337.341 4.810 0 40 EJAB Cc1[nH]c2ccc(C(=O)N[C@@H]3CCSc4ccccc43)cc2c1C 9866004 MSGADYBAEWEVRA-GOSISDBHSA-N 336.460 4.752 0 40 EJAB C[C@H](Sc1ncc2ccccn12)C(=O)Nc1cccc2ccccc12 12541241 KLIAROSUCMSEGI-AWEZNQCLSA-N 347.443 4.607 0 40 EJAB O=C(CCC1CCCC1)Nc1nnc(SCc2ccccc2)s1 12753266 HMJUJSGWZFWHKY-UHFFFAOYSA-N 347.509 4.739 0 40 EJAB Cc1ccc([C@H](NC(=O)Cc2ccc(F)cc2)c2ccccc2)cc1 14577275 CUJWQEBNHCBMFF-JOCHJYFZSA-N 333.406 4.582 0 40 EJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCCc1ccc(C)cc1 20458281 LSJKIMNQLWAYAU-FQEVSTJZSA-N 339.479 4.518 0 40 EJAB CCCCc1ccc(NC(=O)c2ccc(-c3nc(C)no3)cc2)cc1 22833735 MZDODTCPBNPEEX-UHFFFAOYSA-N 335.407 4.640 0 40 EJAB Cc1nsc(NC(=O)c2sc3cccc(Cl)c3c2Cl)n1 27756411 HDODRNSZHYUIMR-UHFFFAOYSA-N 344.248 4.620 0 40 EJAB COc1cc2c(cc1NC(=O)/C=C\c1ccco1)oc1ccccc12 33472605 YWVOGKVVXQARSK-HJWRWDBZSA-N 333.343 4.840 0 40 EJAB CCc1ccc([C@H]2CCCCCN2C(=O)CCc2c(C)noc2C)o1 71916066 ZFSMFVADYXIWPQ-GOSISDBHSA-N 344.455 4.523 0 40 EJAB CC(C)(C)OC(=O)N1CCC[C@@H]1c1ccc(N2CCCCCC2)nc1 72216639 GDNSSEOIDOAWMY-QGZVFWFLSA-N 345.487 4.534 0 40 EJAB CCCn1c(SCCCC2CCCC2)nnc1-c1ccncc1 78965519 BROFVNWSQASTSB-UHFFFAOYSA-N 330.501 4.813 0 40 EJAB COc1cccc([C@@H](C)NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c1 89905275 XBWGBJIWNHGXKK-CQSZACIVSA-N 348.446 4.546 0 40 EJAB O=C(Nc1cc(Cl)c(O)c(Cl)c1)Nc1ccc(F)cc1F 95980384 LJDNGVCEOOHAOO-UHFFFAOYSA-N 333.121 4.621 0 40 EJAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(Cl)cc1 96586379 RFWYDKDMBLYMLM-ZDUSSCGKSA-N 329.827 4.625 0 40 EJAB Cc1ccc(C)c(NC(=O)c2cccc(Nc3nc(C)cc(C)n3)c2)c1 170580107 FFOUNDKDGJOHCB-UHFFFAOYSA-N 346.434 4.706 0 40 EJAB O=C(CCc1ccc(Cl)c(C(F)(F)F)c1)N1[C@H]2C=CC[C@H]1CC2 208020825 NKMXVDXNVFVETF-STQMWFEESA-N 343.776 4.611 0 40 EJAB Cc1ccc([C@H](NC(=O)Cc2cccs2)c2ccccc2)c(C)c1 222680387 SPSUSTGGJILNIL-OAQYLSRUSA-N 335.472 4.813 0 40 EJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NC(C)(C)CC(C)(C)C 224443504 LOUUYNUXXPAMMF-HNNXBMFYSA-N 325.880 4.828 0 40 EJAB O=C(Cc1ccc(Cl)cc1F)N1CCC(Cc2ccccc2)CC1 224785935 BFDVAMBUJCZLRR-UHFFFAOYSA-N 345.845 4.503 0 40 EJAB COc1ccccc1OCc1ccc(C(=O)Nc2cccc(C)c2)cc1 409178593 LOLXZJVIFPWEHY-UHFFFAOYSA-N 347.414 4.835 0 40 EJAB Cc1cccc(NC(=O)COc2cccc(CNc3ccccc3)c2)c1 409262951 GHTNPEHJSGRVGG-UHFFFAOYSA-N 346.430 4.625 0 40 EJAB CCc1cc2ccccc2nc1SCC(=O)Nc1cccc(C)c1 413300 ZCFJKCHLSVONAU-UHFFFAOYSA-N 336.460 4.836 0 40 EJAB CCOc1ccc(Nc2ncnc3sc4c(c23)C[C@@H](C)CC4)cc1 1472989 ZFXSUWRQXHQZJJ-LBPRGKRZSA-N 339.464 4.958 0 40 EJAB CCc1ccc(C)c(OS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1 2069711 MJTWEYBEJHKKNL-UHFFFAOYSA-N 332.465 4.623 0 40 EJAB CCc1ccc2c(c1)C(C)(C)[C@@]1(/C=C/c3ccco3)N=C(O)CCN21 2108425 RFPWXMVPWYZVBN-ZUURVNMSSA-N 336.435 4.710 0 40 EJAB biogenic Cc1cccc(OCCCC(=O)Nc2nc3ccc(C)cc3s2)c1 2886776 VPPBAKAYHQUHPA-UHFFFAOYSA-N 340.448 4.711 0 40 EJAB Cc1ccc(C(=O)Oc2c(C)cc(Br)cc2Cl)cc1 3556318 STWFSZXQRVGKDP-UHFFFAOYSA-N 339.616 4.939 0 40 EJAB CCCCC[C@@H]1[C@H](CC(=O)OC)CC[C@@H]1OC(=O)Nc1ccccc1 4024233 AUTCMLIZMUTLIQ-JQHSSLGASA-N 347.455 4.773 0 40 EJAB biogenic Cc1ccc(CNC(=O)c2ccc(-c3ccccc3Cl)o2)cc1 4540202 KUYPEVXXYSHGNK-UHFFFAOYSA-N 325.795 4.838 0 40 EJAB Cc1cccc(N2[C@@H](c3ccccc3)c3ccc(C)cc3N[S@@]2=O)c1 5760593 SIHHBEUKPBURLF-SQJMNOBHSA-N 348.471 4.904 0 40 EJAB O=C(Nc1ccc(CN2CCCC2)cc1)c1ccc(Cl)c(Cl)c1 5996878 BBJGXEUVNYKKTF-UHFFFAOYSA-N 349.261 4.842 0 40 EJAB COc1cccc(COc2ncnc3scc(-c4ccccc4)c23)c1 6788469 FEGAWGNJEHJNIT-UHFFFAOYSA-N 348.427 4.946 0 40 EJAB COc1ccc(S[C@@H](C)C(=O)Nc2ccc(C(C)C)cc2)cc1 7294660 MTGZOHKDWVVYKV-AWEZNQCLSA-N 329.465 4.938 0 40 EJAB C[C@H](c1ccccc1)c1nnc(NC(=O)c2ccc(Cl)cc2)s1 8737899 WPXKYTNKOCKRBY-LLVKDONJSA-N 343.839 4.596 0 40 EJAB C[C@H](NC(=O)N(C)[C@H](C)c1ccc(Cl)cc1)c1cccc(F)c1 12973212 DVHNTYIJZIKEOK-QWHCGFSZSA-N 334.822 4.943 0 40 EJAB O=C(Nc1ccccc1N1CCCCC1)c1ccc2ncsc2c1 15315865 WMMMJUCNJURNFL-UHFFFAOYSA-N 337.448 4.539 0 40 EJAB O=C(Nc1ccc(Cl)cc1)Nc1nnc(/C=C\c2ccccc2)o1 17176020 HTTBLQKEFMVRJF-WDZFZDKYSA-N 340.770 4.537 0 40 EJAB Cc1ccc(-c2cc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)c3ccccc3n2)o1 17919203 ZNYBBKBNQBRYLY-GASCZTMLSA-N 348.446 4.921 0 40 EJAB c1cnc2[nH]c([C@@H]3CCCO3)c(CN3CCC[C@@H]4CCCC[C@H]43)c2c1 19345167 KWOGBUGUEBNTRS-IPELMVKDSA-N 339.483 4.569 0 40 EJAB CC[C@H](NC(=O)/C=C/c1ccc(Cl)cc1)c1ccc(OC)cc1 20107097 AHMSBJCLWKXPQM-LGWVBRRBSA-N 329.827 4.629 0 40 EJAB Cc1ccsc1CNC(=O)c1ccc(OCc2ccccc2)cc1 25676734 RSPXULVEHPVEPE-UHFFFAOYSA-N 337.444 4.566 0 40 EJAB C[C@@H](NC(=O)c1cc(Cl)ccc1F)c1cccc(OC(F)F)c1 32931095 VUGBPOZXRNQWIV-SECBINFHSA-N 343.732 4.572 0 40 EJAB O=C1C[C@H](c2ccc(F)cc2)c2snc(-c3cccc(F)c3)c2N1 35324508 ILJIZOWSGWCXJS-CQSZACIVSA-N 342.370 4.562 0 40 EJAB O=C(NCc1cccc2ccccc12)N1CC[C@H](c2ccccc2)C1 38567370 XVWXYRRMPMCVEC-FQEVSTJZSA-N 330.431 4.539 0 40 EJAB O=C(Nc1ccc(-c2nnco2)cc1)c1sccc1-c1ccccc1 58266035 MCNFURCENDQEMP-UHFFFAOYSA-N 347.399 4.717 0 40 EJAB O=C(Nc1ccccc1)c1cccc(CN2CCc3ccccc32)c1 58369515 ZXWJLNYXOKJDSE-UHFFFAOYSA-N 328.415 4.502 0 40 EJAB Cc1cccc(NC(=O)c2cc(-c3ccc(OC(C)C)cc3)on2)c1 61997162 UTBJSLMMRVWLTM-UHFFFAOYSA-N 336.391 4.690 0 40 EJAB Cc1ccc(Nc2nc(C)c(C(=O)NC3CCCCC3)s2)c(C)c1 71326594 CXLYJVVONSNZSO-UHFFFAOYSA-N 343.496 4.874 0 40 EJAB CCCCC[C@@H]1[C@@H](CC(=O)OC)CC[C@H]1OC(=O)Nc1ccccc1 102804644 AUTCMLIZMUTLIQ-KBAYOESNSA-N 347.455 4.773 0 40 EJAB biogenic CN(Cc1cscn1)C(=O)Nc1ccc(SC(C)(C)C)cc1 171321802 SUKLVAZTZPXZLT-UHFFFAOYSA-N 335.498 4.698 0 40 EJAB C[C@H](NC(=O)Cc1cccc(Cl)c1)c1ccc2c(c1)CCCC2 222999595 HSZKOZCJNLYPLU-AWEZNQCLSA-N 327.855 4.639 0 40 EJAB Fc1ccccc1NC(=S)NCCCSC1CCCCC1 225590157 LRWRHIFOVVXYRJ-UHFFFAOYSA-N 326.506 4.568 0 40 EJAB COc1cc(C)c(C(=O)Nc2cccc(C(C)=O)c2)cc1C(C)C 225660153 FDDBODGXHHZEAT-UHFFFAOYSA-N 325.408 4.582 0 40 EJAB C[C@H](Cc1cc2ccccc2o1)NC(=O)CCSc1ccccc1 239593154 DRPIDCMLFLNQKX-OAHLLOKOSA-N 339.460 4.662 0 40 EJAB O=C(Cc1cc(Cl)cc2ccccc12)N1CC=C(c2ccccc2)C1 1637151163 HZJLHCOFIBEUFJ-UHFFFAOYSA-N 347.845 4.962 0 40 EJAB CC[C@@H](NC(=O)Cc1ccc(Br)cc1)c1ccc(C)cc1 2764788 LYXODEAGLWHZKF-QGZVFWFLSA-N 346.268 4.568 0 40 EJAB CCOc1ccc(NC(=O)Cn2c3c(c4ccccc42)CCCC3)cc1 2887310 AJCOOEZLBOPHAA-UHFFFAOYSA-N 348.446 4.558 0 40 EJAB O=C(Oc1cccc(Cl)c1Cl)c1ccc(Br)o1 3603268 WIDGIYSRIRPUCY-UHFFFAOYSA-N 335.968 4.568 0 40 EJAB O=c1oc(-c2ccc(C(F)(F)F)cc2)nc2c1oc1ccccc12 4558240 GUCGIRRXRRGREB-UHFFFAOYSA-N 331.249 4.620 0 40 EJAB CO[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@H](OC(C)=O)C[C@@]4(C)CC[C@@H]32)C1 4758589 FQVPPGVKBAZPLS-MZLYOWLHSA-N 346.511 4.896 0 40 EJAB CCCC(CCC)C(=O)Nc1ccc(-c2cn3cccnc3n2)cc1 4950064 KTKWYKWKIOODDD-UHFFFAOYSA-N 336.439 4.551 0 40 EJAB Cc1cccc(C)c1NC(=O)CCCC(=O)Nc1c(C)cccc1C 6207630 ILQYNTHAUIQHSV-UHFFFAOYSA-N 338.451 4.668 0 40 EJAB O=C1c2ccccc2N[C@H](c2ccncc2)N1c1ccc(Cl)cc1 6831505 DZUCDUWKFSJSBT-SFHVURJKSA-N 335.794 4.506 0 40 EJAB Cc1ccc(C(=O)Nc2nc(-c3cc(F)ccc3F)cs2)cc1 7723897 VWRHGVBUBZZVAI-UHFFFAOYSA-N 330.359 4.649 0 40 EJAB Cc1c(-c2ccccc2)oc2c(C(=O)NCCC(C)C)cccc2c1=O 7770866 XBWDGFBKBGKWIL-UHFFFAOYSA-N 349.430 4.544 0 40 EJAB biogenic CCSc1ccccc1C(=O)NCCSCc1ccccc1C 8478467 ZVRWRFDAPRACJZ-UHFFFAOYSA-N 345.533 4.770 0 40 EJAB COc1cccc2cc(C(=O)Nc3ccc4c5c(cccc35)CC4)oc12 8960610 GRABCQFFNPKBOT-UHFFFAOYSA-N 343.382 4.946 0 40 EJAB CCOc1ccc(-c2n[nH]c(C(F)(F)F)c2-c2ccccc2)c(O)c1 9356807 GPMYYCGNGWVSEF-UHFFFAOYSA-N 348.324 4.867 0 40 EJAB C[C@@H]1C[C@@H]1c1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccco2)o1 9471093 BPTPWNQCCVWLBB-JOTOCRJQSA-N 348.402 4.763 0 40 EJAB COc1cccc(Nc2nnc(SCc3cccc(F)c3)s2)c1 10267399 SGQIMTASQZQZHE-UHFFFAOYSA-N 347.440 4.722 0 40 EJAB O=C(CCc1ncc(-c2ccccc2)o1)Nc1ccc(Cl)cc1 14201279 GHRSKKZQDYQDKH-UHFFFAOYSA-N 326.783 4.566 0 40 EJAB C/C=C/c1ccc(OCC(=O)c2cc(C)n(C3CC3)c2C)c(OC)c1 14318200 HMLUQODIGFOWBL-AATRIKPKSA-N 339.435 4.743 0 40 EJAB O=C(NCCSCc1ccccc1F)Nc1ccc(Cl)cc1 18179057 NCUNTFUKYZFRNU-UHFFFAOYSA-N 338.835 4.534 0 40 EJAB CC(C)c1ccc(OCC(=O)N(C)Cc2ccc(Cl)cc2)cc1 20484362 AKVXKWXYPRTAEB-UHFFFAOYSA-N 331.843 4.501 0 40 EJAB Cc1ccccc1[C@@H](Sc1ncnc2c1cnn2C)c1ccccc1 28190222 NVDFZUHLPHCKSX-SFHVURJKSA-N 346.459 4.553 0 40 EJAB CN(Cc1ccc(Cl)c(Cl)c1)Cc1cc(-c2ccco2)on1 32836148 AUMOKVFDOUNJCY-UHFFFAOYSA-N 337.206 4.873 0 40 EJAB Fc1ccccc1CN1CC[C@H](c2nc3cc(Cl)ccc3o2)C1 35442904 VPCYGSPTZYEMJT-ZDUSSCGKSA-N 330.790 4.610 0 40 EJAB biogenic,in-vitro c1ccc(-c2n[nH]c(SCCOc3ccc4ccccc4c3)n2)cc1 43808449 AWEQGCLQPFRLCZ-UHFFFAOYSA-N 347.443 4.796 0 40 EJAB CC(C)Sc1ncccc1C(=O)N(C)Cc1ccc([C@@H]2C[C@@H]2C)o1 48249440 RTEWZZYNAUKXIY-XJKSGUPXSA-N 344.480 4.571 0 40 EJAB CC(C)c1nc(Cn2c(C(F)(F)F)nc3ccccc32)cs1 54174549 IURWVIKMTZATRK-UHFFFAOYSA-N 325.359 4.683 0 40 EJAB CCOc1ccc2nc(Nc3nc4cc(OC)ccc4o3)sc2c1 57353009 UHQJYQSHVKQIPT-UHFFFAOYSA-N 341.392 4.588 0 40 EJAB CC(C)Sc1ncccc1[C@H]1CCCCN1C(=O)c1ccccc1 72217578 QYXHYQVOPGNXJK-GOSISDBHSA-N 340.492 4.950 0 40 EJAB CC(C)c1ccc([C@@H]2CC(O)=Nc3c2cnn3Cc2ccco2)cc1 72402941 IANDTESZKAYNPO-KRWDZBQOSA-N 335.407 4.771 0 40 EJAB CC1=Nc2c(c(C)nn2Cc2ccccc2)[C@@H](c2ccc(O)cc2)S1 72406391 WJFWIVPXRLWTCH-LJQANCHMSA-N 349.459 4.832 0 40 EJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N(C)Cc1ccc(C)cc1 216444683 FYZKFWOIOXNOTC-QFIPXVFZSA-N 347.458 4.964 0 40 EJAB O=C(NCCCc1cccc2ccccc12)c1ccc(Cl)cc1F 223077225 AMTNQPLHINVBKZ-UHFFFAOYSA-N 341.813 4.995 0 40 EJAB CC[C@H](NC(=O)c1ccc(OC)c(C)c1)c1ccc2c(c1)CCCC2 223133148 BZROCUMROXJACH-FQEVSTJZSA-N 337.463 4.764 0 40 EJAB O=C(O)[C@@H](Cc1cccc2ccccc12)Oc1ccccc1Cl 225047947 XIVLYGPGDSWXRB-GOSISDBHSA-N 326.779 4.568 0 40 EJAB Cc1cccnc1NC(=S)NC1(CCc2ccccc2)CCCC1 225872240 YGMUFWBJOWAKRJ-UHFFFAOYSA-N 339.508 4.622 0 40 EJAB Nc1ccc(Cl)c(NC(=O)c2ccc(-c3ccc(F)cc3)o2)c1 226365361 FVDFYZXYVJLGMF-UHFFFAOYSA-N 330.746 4.574 0 40 EJAB O=C(Nc1ccc(Oc2ccccc2Cl)cc1)[C@@H]1C[C@H]2CC[C@H]1O2 504715445 JXQQYLJOCANVIV-BFYDXBDKSA-N 343.810 4.638 0 40 EJAB Cc1cc(C)c2c(c1)n(Cc1ccccc1)c(=O)n2Cc1ccccc1 35515 PPSDMKKYKZTMIS-UHFFFAOYSA-N 342.442 4.516 0 40 EJAB O=C(Nc1ncc(Cc2cccc3ccccc23)s1)c1ccco1 105237 LWMSZBVBUHHJMI-UHFFFAOYSA-N 334.400 4.732 0 40 EJAB CC1(C)C=C(c2c[nH]c(C3=CC(C)(C)NC(C)(C)C3)c2)CC(C)(C)N1 312604 ZMSCJHLUUHABJJ-UHFFFAOYSA-N 341.543 4.883 0 40 EJAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(F)cc1 492096 FTADFDWMQQCTNK-SECBINFHSA-N 328.170 4.539 0 40 EJAB COc1ccc(Nc2nc(C)nc3sc4c(c23)CCCC4)cc1 520766 AIVZHXMRJKDYKT-UHFFFAOYSA-N 325.437 4.631 0 40 EJAB COc1ccc([C@]2(C)Nc3ccccc3-c3nc4ccccc4n32)cc1 543884 MHMVGRAKYSZMOG-JOCHJYFZSA-N 341.414 4.858 0 40 EJAB Fc1ccc(-c2nc3nc4ccccc4nc3n2-c2ccccc2)cc1 2216852 HEAGUNIVOKTGLH-UHFFFAOYSA-N 340.361 4.775 0 40 EJAB Nc1ccccc1Nc1cc(-c2ccccc2)nn1-c1ccccc1 3300706 QOKHRGPCHYZJNW-UHFFFAOYSA-N 326.403 4.865 0 40 EJAB CCOC(=O)c1cnc2ccc(Cl)cc2c1Nc1ccccc1F 5010805 OCQMIVRLIFCUTL-UHFFFAOYSA-N 344.773 4.948 0 40 EJAB COc1ccc2ccccc2c1[S@](=O)Nc1cc(C)cc(C)c1 5724840 SQECMLOLFXWRQE-HSZRJFAPSA-N 325.433 4.600 0 40 EJAB CCCCNc1ncnc2c1sc1nc(CCC)c3c(c12)CCC3 8625722 AUVNWUYAVYYBEZ-UHFFFAOYSA-N 340.496 4.893 0 40 EJAB CCn1/c(=N\C(=O)c2ccccc2)sc2c3ccccc3ccc21 8654199 RGOJBUSPKIUUPK-QZQOTICOSA-N 332.428 4.617 0 40 EJAB C/C=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2C)c(OC)c1 9911300 JJMRREMIWOLJMK-GQCTYLIASA-N 345.826 4.708 0 40 EJAB c1ccc(CN2CCCCC[C@@H]2c2cc(-c3cccs3)on2)nc1 12143929 NQBJNAFLBRKNPD-QGZVFWFLSA-N 339.464 4.915 0 40 EJAB CCc1cccc2cc3c(nc12)O[C@H](C)CN(Cc1ccccc1)C3 13563844 JLBRSCLMUBJBOK-MRXNPFEDSA-N 332.447 4.580 0 40 EJAB Fc1ccc(NC(=S)NCc2ccc(Cl)cc2Cl)c(F)c1 13815192 BWAUQLRRUZKQMW-UHFFFAOYSA-N 347.217 4.758 0 40 EJAB CN(Cc1ccco1)C(=O)c1cc(-c2cccs2)nc2ccccc12 14227531 UECMVERESGXSRJ-UHFFFAOYSA-N 348.427 4.829 0 40 EJAB Cc1ccc2nc(SCC(=O)Nc3cccc4ccccc34)[nH]c2c1 18219793 MTZLJGQYWBFKHH-UHFFFAOYSA-N 347.443 4.755 0 40 EJAB Cc1ccc(CN(C)C(=O)[C@H](C)Oc2ccccc2C(C)C)cc1 20460549 YSXWRXXIFWGNGS-KRWDZBQOSA-N 325.452 4.544 0 40 EJAB Cc1ccccc1-c1noc(-c2cccc(NC(=O)C(C)(C)C)c2)n1 20900003 RSSOQFOHMQTZQG-UHFFFAOYSA-N 335.407 4.697 0 40 EJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H](CC)c1ccccc1 22513175 VKEBEGDJQWJNNA-UXHICEINSA-N 325.452 4.728 0 40 EJAB CC[C@H](Oc1cccc2ccccc12)C(=O)NC1CCCCCC1 22517504 WWMSKLXSLQZYRL-IBGZPJMESA-N 325.452 4.836 0 40 EJAB C[C@H](NC(=O)Cc1ccccc1Cl)c1cccc(C(F)(F)F)c1 23546911 FJWCTNPWCPFWHE-NSHDSACASA-N 341.760 4.779 0 40 EJAB Cc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3)no2)cc1C 27583584 AAXPZVDVTQFGLF-UHFFFAOYSA-N 326.783 4.864 0 40 EJAB O=C(c1cccc(Cl)c1)N(Cc1cccc(F)c1)c1ccccn1 28292163 LMZUCJLXCGVBSU-UHFFFAOYSA-N 340.785 4.721 0 40 EJAB O=C1Nc2ccccc2CC[C@H]1Sc1nc2cc(Cl)ccc2o1 32093393 SWOFYTXBPFSUFW-OAHLLOKOSA-N 344.823 4.527 0 40 EJAB Cc1ccc(-c2nc(CSc3nnc(-c4ccco4)o3)cs2)o1 32324074 GTFPOFGRSIDNJZ-UHFFFAOYSA-N 345.405 4.647 0 40 EJAB O=C(NC1CCCCC1)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 32908059 MLOMALNKIMMNEW-JKSUJKDBSA-N 340.492 4.795 0 40 EJAB Fc1ccc(NCc2nc(-c3cccc(C(F)(F)F)c3)no2)cc1 40032401 QKQGMCZJKUEERC-UHFFFAOYSA-N 337.276 4.507 0 40 EJAB COc1ccc([C@H](C)NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1 44883165 ALJBYPSDZLNYJN-STQMWFEESA-N 349.883 4.707 0 40 EJAB O=C(Nc1cccc2ccccc12)N(Cc1cccc(O)c1)C1CC1 56327724 BVKBQSCWCDFUHS-UHFFFAOYSA-N 332.403 4.742 0 40 EJAB CC(=O)[C@@H](C)CCCCC(=O)N[C@H](C)c1ccc2ccccc2c1 89895370 QQUVDOAUSBRFKP-JKSUJKDBSA-N 325.452 4.803 0 40 EJAB C[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)[C@@H]1C[C@@H]2CC[C@@H]1C2 101393677 XBIOQKJAUYGCAY-DGQTTZFYSA-N 333.475 4.759 0 40 EJAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccc(F)cc2F)c1 222617351 YZKZIDIFEXAKHU-ZDUSSCGKSA-N 333.378 4.803 0 40 EJAB CC(C)C(NC(=S)Nc1ccc(Br)cc1F)C(C)C 225327534 YCDPSFUZFXVIMJ-UHFFFAOYSA-N 347.297 4.555 0 40 EJAB COc1ccc2c(c1)CCC[C@@H]2NC(=S)Nc1ccc(C)c(C)c1 225702254 PVFPBZDXXVFBKL-IBGZPJMESA-N 340.492 4.676 0 40 EJAB CCOC(=O)Nc1ccc2c(Cl)c(-c3ccccc3)c(=O)oc2c1 255190644 YMZLZQZKAOMCMW-UHFFFAOYSA-N 343.766 4.682 0 40 EJAB Cc1cc(C)c2nc(C3CC3)cc(C(=O)Nc3scnc3C)c2c1 572023607 MQWCFFREIUUZQV-UHFFFAOYSA-N 337.448 4.746 0 40 EJAB Cc1ccc(OCc2ccccc2)c(C(=O)[C@@H]2O[C@@H]2c2ccccc2)c1 162486 QYQBUZZABOEKLY-PKTZIBPZSA-N 344.410 4.897 0 40 EJAB Cc1cccc(C(=O)Nc2nc3ccc4nc(C)sc4c3s2)c1 188293 NWWQGMQHNNLYFK-UHFFFAOYSA-N 339.445 4.775 0 40 EJAB C[C@H](OC(=O)C[C@@H](c1ccccc1)N1CCCCC1)c1ccccc1 1569401 WWFXXOLLBWVWJA-RXVVDRJESA-N 337.463 4.908 0 40 EJAB COc1ccccc1/C=C/[C@@]12N=C(O)CCN1c1ccccc1C2(C)C 2108667 TWFCISJXYNAPMT-XSEIIIHRSA-N 348.446 4.563 0 40 EJAB biogenic Cc1cccn2cc(-c3cccc(NC(=O)Nc4ccccc4)c3)nc12 4649868 CCRJODAYSKBFEW-UHFFFAOYSA-N 342.402 4.954 0 40 EJAB Cc1c(C(=O)N(c2ccccn2)c2ccccn2)oc2ccccc12 6831223 MFSXLEWIOFSHOT-UHFFFAOYSA-N 329.359 4.510 0 40 EJAB COC(=O)c1cn(CCCOc2cc(C)ccc2C)c2ccccc12 6965585 NBKYQVAXTZLDMD-UHFFFAOYSA-N 337.419 4.514 0 40 EJAB O=C(CCc1c[nH]c2ccccc12)Nc1ccc(OC(F)(F)F)cc1 7698960 SELKRZGKWCFORY-UHFFFAOYSA-N 348.324 4.638 0 40 EJAB Cc1cccc(OCC(=O)Nc2ccc(C(F)(F)F)cc2Cl)c1 7791615 KKPRVBZPYAHFPD-UHFFFAOYSA-N 343.732 4.685 0 40 EJAB CC(C)(C)C(=O)Nc1sc2c(c1C(=O)O)CC[C@@H](C(C)(C)C)C2 8731394 VSBFIHPCVAQLKJ-SNVBAGLBSA-N 337.485 4.582 0 40 EJAB O=C(Cc1ccc(Cl)cc1)Nc1ccc(Cc2ccncc2)cc1 11554111 RZMVWFXVEFOVJE-UHFFFAOYSA-N 336.822 4.507 0 40 EJAB CCOc1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)cc1 12806996 RJRCSUFUCPCXKC-CQSZACIVSA-N 348.446 4.944 0 40 EJAB O=C1CCCN1c1ccc(-c2csc(-c3ccc(F)cc3)n2)cc1 12848048 GVVCIDMHHXHHKP-UHFFFAOYSA-N 338.407 4.743 0 40 EJAB O=C(Nc1ccccc1C(F)(F)F)c1ccc(C(F)(F)F)cc1 14429784 VNUVWQFTWXIDBC-UHFFFAOYSA-N 333.231 4.977 0 40 EJAB CCOc1cc(C(=O)Nc2ccc(C)cc2)nc2ccc(Cl)cc12 15829198 WVHJZRHNUMSDED-UHFFFAOYSA-N 340.810 4.848 0 40 EJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(C)cc1 20045908 AEHZFTMZXFMLTO-OAQYLSRUSA-N 333.431 4.622 0 40 EJAB Cc1c(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)cccc1C(=O)O 20145269 OZSZLQQNCVQHTF-ACCUITESSA-N 347.370 4.605 0 40 EJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@@H](C)c1cc(C)ccc1C 20485675 SCUDJCRMKMYVSK-ICSRJNTNSA-N 339.479 4.955 0 40 EJAB O=C(NCC1(c2ccccc2)CC1)c1cc2c(F)cccc2s1 21524002 XLVKFNLAOAZXMO-UHFFFAOYSA-N 325.408 4.502 0 40 EJAB COc1ccc2nc(C)c(C(=O)Nc3ccc(C)c(Cl)c3)cc2c1 29788404 QYOICUXWGTWJMO-UHFFFAOYSA-N 340.810 4.766 0 40 EJAB CCOc1cccc(NC(=O)[C@H](C)Oc2ccccc2C(C)C)c1 30870413 DTIBCRZCYIIWTP-HNNXBMFYSA-N 327.424 4.615 0 40 EJAB COc1ccc(C(=O)N[C@@H](C)C(c2ccccc2)c2ccccc2)cc1 31383945 HUDXVPYXCHGUNO-KRWDZBQOSA-N 345.442 4.646 0 40 EJAB CCOc1ccc([C@H](NC(=O)c2cccs2)c2ccccc2)cc1 40089220 COMRQUKLCPLYHK-LJQANCHMSA-N 337.444 4.666 0 40 EJAB O=C(CCC(=O)c1ccccc1)Nc1ccccc1Cc1ccccc1 40159512 LQVSGJDUKOYIRD-UHFFFAOYSA-N 343.426 4.879 0 40 EJAB CCC[C@H](C)N(C)C(=O)Nc1cccc(NC(=O)c2cccs2)c1 43979397 MJBUMBMBKALGTM-ZDUSSCGKSA-N 345.468 4.653 0 40 EJAB Fc1ccc(CSc2nccn3nc(-c4cccs4)cc23)cc1 45925297 GWGFHVVBAHMDOH-UHFFFAOYSA-N 341.436 4.889 0 40 EJAB COc1ccc(CCC(=O)Nc2ccc3c4c(cccc24)CC3)cc1F 58378139 NWRJKDXOAOEYBU-UHFFFAOYSA-N 349.405 4.657 0 40 EJAB CCc1nc2cc(NC(=O)c3csc(-c4ccccc4)n3)ccc2o1 58414816 HNEJGOSEXRGCRJ-UHFFFAOYSA-N 349.415 4.766 0 40 EJAB Cc1cc(C)cc(O[C@H](C)C(=O)N[C@H](C)c2cc(C)ccc2C)c1 59351464 FBBGPTUICNHQJZ-QZTJIDSGSA-N 325.452 4.565 0 40 EJAB CCCCNc1ccc([C@H]2CCCCN2C(=O)c2ccccc2)cn1 72213695 TZNILLCSNULFRT-LJQANCHMSA-N 337.467 4.661 0 40 EJAB CCCN1CCCC[C@H]1c1ccc(N(CC)C(=O)OC(C)(C)C)nc1 72214637 YIXMVAVUFBXGSD-KRWDZBQOSA-N 347.503 4.780 0 40 EJAB Cc1ccccc1C(=O)N(CCc1cccs1)Cc1ccco1 75154751 CJWCHVVRHNSNDD-UHFFFAOYSA-N 325.433 4.535 0 40 EJAB CC(C)OCCCN1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 95961355 HHMZRZFLBGNWBL-GOSISDBHSA-N 343.515 4.612 0 40 EJAB Fc1ccc(CN(CCc2ccco2)Cc2ccc(F)s2)s1 96100785 LJCJSPPJEYBCDY-UHFFFAOYSA-N 339.432 4.926 0 40 EJAB Cc1ncc(CNc2ccc(Cl)cc2NC(=O)c2ccco2)s1 96427430 ZHRNZCXUNROROF-UHFFFAOYSA-N 347.827 4.562 0 40 EJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc(F)cc1 113956544 MRERHEKBSYHLKX-SJKOYZFVSA-N 335.806 4.514 0 40 EJAB CCOc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1 169942558 WPKWKSHRYZZSAQ-UHFFFAOYSA-N 327.399 4.675 0 40 EJAB O=C(CCSCc1ccccc1)NCCCc1ccc(Cl)cc1 218994526 KYNVHXFXBMDLCC-UHFFFAOYSA-N 347.911 4.712 0 40 EJAB CSc1cccc(NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)c1 222797319 JEXPPIOLPWGDCK-AWEZNQCLSA-N 341.476 4.693 0 40 EJAB CCc1ccc(CCC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1 222976351 QUWOZISAYBFAIV-QGZVFWFLSA-N 335.491 4.938 0 40 EJAB C[C@H]1CC(C)(C)N(Cc2ccc(C(=O)O)o2)c2ccc(Cl)cc21 223233602 XADDXUNPAGKNCN-NSHDSACASA-N 333.815 4.924 0 40 EJAB CC[C@H](CNC(=S)Nc1ccc(F)cc1F)Cc1ccccc1 225631446 NRPRNMZOWMLFCS-ZDUSSCGKSA-N 334.435 4.520 0 40 EJAB Cc1ccccc1[C@H](C)NC(=S)Nc1ccc(Br)cc1 225752751 JFRSPBBQVSZHNP-LBPRGKRZSA-N 349.297 4.805 0 40 EJAB Cc1ccc(-n2c(-c3ccccc3)cc(-c3ccccc3)nc2=O)cc1 383247 XEIAFVUDGFSBCF-UHFFFAOYSA-N 338.410 4.875 0 40 EJAB Cc1ccc(C(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)c(C)c1 557883 QFUNPLGOVIBABG-UHFFFAOYSA-N 343.386 4.759 0 40 EJAB Cc1ccccc1CSc1nnc(-c2c[nH]c3ccccc23)n1C 4138453 XSKXDCCUCBSPBH-UHFFFAOYSA-N 334.448 4.564 0 40 EJAB Clc1ccc(C2=Nc3ccccc3C(c3cccs3)=NN2)cc1 4168567 XYSDUUOIBRMGGS-UHFFFAOYSA-N 337.835 4.835 0 40 EJAB Cc1ccccc1CSc1nnc(Cc2ccc(Cl)cc2)o1 6207899 LYOGDOQUPCRMOM-UHFFFAOYSA-N 330.840 4.915 0 40 EJAB COc1cc(C)c(NC(=O)c2ccccc2-c2ccccc2)cc1OC 6258871 IVLQHQWPPKAYQM-UHFFFAOYSA-N 347.414 4.932 0 40 EJAB CCCCC(=O)Nc1cccc(NC(=O)c2ccccc2Cl)c1 6396962 TWFUBPNBRYJIMX-UHFFFAOYSA-N 330.815 4.721 0 40 EJAB Cc1ccc(F)cc1NC(=O)c1sc(-c2ccsc2)nc1C 7404219 CATIIFGOEPPKKV-UHFFFAOYSA-N 332.425 4.880 0 40 EJAB CC[C@@H](O)c1nc2ccccc2n1CCCOc1cc(C)ccc1C 7548919 UKCQDXJQKRLTPV-LJQANCHMSA-N 338.451 4.566 0 40 EJAB O=C(Nc1nc2c(s1)Cc1ccccc1-2)c1cc2ccccc2o1 7613735 PULQTBDQPSGHEB-UHFFFAOYSA-N 332.384 4.713 0 40 EJAB O=C(CCc1ccccc1)N1CCC[C@@H]1c1nc2ccccc2s1 10109610 ZDDOPYOFMQOJNO-QGZVFWFLSA-N 336.460 4.593 0 40 EJAB O=C(CCc1ccco1)N1CCCC[C@H]1c1nc2ccccc2s1 12601400 CYJPMBSAPHBZKZ-INIZCTEOSA-N 340.448 4.576 0 40 EJAB O=C(CCC(=O)c1ccccc1)Nc1ccc2c(c1)Cc1ccccc1-2 15982840 KVAPAEADCAFBDZ-UHFFFAOYSA-N 341.410 4.859 0 40 EJAB Cc1ccc(-c2cc(C(=O)OCc3ccccn3)c3ccccc3n2)o1 16702660 GJGOAONZDRDXAF-UHFFFAOYSA-N 344.370 4.555 0 40 EJAB C[C@H](NC(=O)c1ccccc1OCc1ccccc1)c1ccc(F)cc1 20106272 RLBZOUATMLERRF-INIZCTEOSA-N 349.405 4.896 0 40 EJAB Cc1ccccc1Nc1nn(-c2ccc(F)cc2)c2c1C(=O)CCC2 20672146 XGOLUPBWEBRLBN-UHFFFAOYSA-N 335.382 4.582 0 40 EJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N(C)C1CCCCC1 22520489 ZYLSLDFYUXECJV-HXUWFJFHSA-N 325.452 4.788 0 40 EJAB CC[C@H](NC(=O)CSCc1cccc(C)c1)c1ccc(OC)cc1 25513646 PFFGJNQFZWIJCQ-IBGZPJMESA-N 343.492 4.504 0 40 EJAB COc1cc(Cl)c(C)cc1N[C@H](C)c1nnc(-c2cccs2)o1 32739718 MRRCSUJANVYVCB-SNVBAGLBSA-N 349.843 4.942 0 40 EJAB Cc1ccc(NC(=S)Nc2cccc(OC(F)(F)F)c2)cc1 43568666 FMKHEBCUUNSVIZ-UHFFFAOYSA-N 326.343 4.703 0 40 EJAB Cc1cccc(NC(=S)Nc2cccc(OC(F)(F)F)c2)c1 43568724 GDSSEXGLODCUCR-UHFFFAOYSA-N 326.343 4.703 0 40 EJAB O=C(Nc1ccccc1Cl)N(Cc1ccsc1)CC(F)(F)F 44447771 XPZHXECDAJWAFN-UHFFFAOYSA-N 348.777 4.998 0 40 EJAB CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCCCN1)C1CCCC1 72215634 DOPSODROKTXFPQ-KRWDZBQOSA-N 345.487 4.580 0 40 EJAB CC(C)Sc1ccc([C@@H]2CCCCN2C(=O)c2ccccc2)cn1 72217517 JALSWQRWGJIDIS-SFHVURJKSA-N 340.492 4.950 0 40 EJAB COc1cccc(NCc2cc3ccccc3nc2N2CCCCC2)c1 78728258 XOXFNXXUFMTMSU-UHFFFAOYSA-N 347.462 4.846 0 40 EJAB C[C@@H](N[C@@H]1CCc2ccccc21)c1ccc(OC2CCOCC2)cc1 95419576 FOVCMWAWYAXQCN-OPAMFIHVSA-N 337.463 4.583 0 40 EJAB Nc1cc(-c2nc3c(ccc4ccccc43)o2)ccc1Br 216762831 GUCBMHFGFARUSX-UHFFFAOYSA-N 339.192 4.993 0 40 EJAB CCCO[C@@H](CC(=O)O)c1ccc(OCc2ccccc2C)cc1 217806940 OUWNNCXYEYRKHK-IBGZPJMESA-N 328.408 4.516 0 40 EJAB CCOc1cccc(NC(=O)[C@H](C)Oc2cccc3ccccc23)c1 219041215 JDGRMNIIRSAGOZ-HNNXBMFYSA-N 335.403 4.645 0 40 EJAB Cc1ccc(C)c(O[C@H](C)C(=O)N[C@@H](C)c2ccc(C)c(C)c2)c1 219073441 DQVWHBUUPRTCAY-ZWKOTPCHSA-N 325.452 4.565 0 40 EJAB CC[C@H](Oc1ccccc1F)C(=O)N[C@H](CC(C)C)c1ccccc1 219578065 UQCHUGOKJRNURH-MOPGFXCFSA-N 343.442 4.887 0 40 EJAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCc2ccccc2C)c1 224490417 VQBGFYBWOOZZHR-QGZVFWFLSA-N 325.452 4.511 0 40 EJAB CCCOc1ccc(C(=O)N[C@@H](CC)c2ccc(OC)c(C)c2)cc1 224526640 DMODUDNVXKZYTG-IBGZPJMESA-N 341.451 4.674 0 40 EJAB CN(C)[C@H](C(=O)Nc1ccc2c(c1)oc1ccccc12)c1ccccc1 225149972 ZDUXTCXUHILBNE-NRFANRHFSA-N 344.414 4.827 0 40 EJAB FC(F)(F)c1cc(NC(=S)N[C@H]2C[C@H]3CC[C@@H]2C3)ccc1Cl 225321362 MWAZNBDAYJSSLB-RWEMILLDSA-N 348.821 4.834 0 40 EJAB Cc1ccc(NC(=S)NCCSCc2cccc(C)c2)cc1 225336098 YSHMQCVSVOXEGD-UHFFFAOYSA-N 330.522 4.523 0 40 EJAB CCCOC(=O)c1cc(N)ccc1Nc1cccc(Cl)c1Cl 225474454 LNQPVCGMTGXDFC-UHFFFAOYSA-N 339.222 4.886 0 40 EJAB CCCCOc1c(C)cc(NC(=O)C(Cl)(Cl)Cl)cc1C 225591366 MMFSXUFGNCKMFN-UHFFFAOYSA-N 338.662 4.791 0 40 EJAB CC(C)[C@@H]1CCCCN1c1cc(C(F)(F)F)c2cccc(O)c2n1 685938596 XCQSDNSHGBRNRB-AWEZNQCLSA-N 338.373 4.974 0 40 EJAB Cc1c(Cl)cccc1NC(=S)N1CCCC[C@@H]1c1cccnc1 240203 UNHMGCNGGUWGLF-QGZVFWFLSA-N 345.899 4.967 0 40 EJAB CCCCOc1cccc(C(=O)Nc2ccccc2N2CCCC2)c1 1864159 HXLWFGUHSILOTP-UHFFFAOYSA-N 338.451 4.718 0 40 EJAB Cc1cc2nnc(SCCCOc3ccccc3)n2c2ccccc12 1924343 OQXGFZFROWTTOQ-UHFFFAOYSA-N 349.459 4.752 0 40 EJAB CCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccc(C)cc1C)CO3 2118287 GOIJVXFTSNHPEC-UHFFFAOYSA-N 349.430 4.637 0 40 EJAB biogenic CN(Cc1ccc(Cl)cc1)Cc1nnc(-c2ccc(Cl)cc2)o1 3342589 JFGPXUMINYZGFY-UHFFFAOYSA-N 348.233 4.675 0 40 EJAB Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cccc(F)c2)o1 4424246 JEGPZCQKPPPDBE-WIYYLYMNSA-N 348.377 4.969 0 40 EJAB COc1ccc(-c2nc3ccccc3n2Cc2ccccc2OC)cc1 5547710 CIKSILMTMFQRPI-UHFFFAOYSA-N 344.414 4.769 0 40 EJAB c1ccc(-n2cc(-c3nc4ccccc4[nH]3)c(-c3ccco3)n2)cc1 6649770 JPGFYEGAIRZHRU-UHFFFAOYSA-N 326.359 4.676 0 40 EJAB C[C@H](NC(=O)Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1F 8101799 POMGTADWCBHXQF-VIFPVBQESA-N 344.188 4.692 0 40 EJAB COc1ccc(-c2nnc(S[C@H](C)c3ccccc3)o2)cc1OC 8231536 PQUPGRNOFNHASS-GFCCVEGCSA-N 342.420 4.607 0 40 EJAB Clc1ccc2sc(SCc3cn4ccccc4n3)nc2c1 8642657 SIWIJIBNWMXHII-UHFFFAOYSA-N 331.853 4.890 0 40 EJAB COc1c(C)cccc1C(=O)Nc1ccc(C(F)(F)F)cc1Cl 9141822 BTEGMIWDKMUWDE-UHFFFAOYSA-N 343.732 4.928 0 40 EJAB CCCc1ccc(N[C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)cc1 12739792 YXLYVOUETGZJMB-LBPRGKRZSA-N 341.480 4.727 0 40 EJAB O=C(c1cccc(F)c1)N1CCc2sccc2[C@H]1c1cccs1 12997320 YTAUSIFYIKXYSW-KRWDZBQOSA-N 343.448 4.737 0 40 EJAB CC(C)c1ccc(NC(=O)[C@H](C)N(C)Cc2ccc(Cl)cc2)cc1 13041213 WUGZGVHGHSVDEZ-HNNXBMFYSA-N 344.886 4.922 0 40 EJAB O=C(Nc1ccc(CN2CCCC2)cc1)Nc1cccc(Cl)c1 13325206 FXOASRCIMVPKDC-UHFFFAOYSA-N 329.831 4.580 0 40 EJAB Cc1ccc(OCCCC(=O)Nc2ccccc2Br)cc1 16027573 FITDFSOZVVEMRK-UHFFFAOYSA-N 348.240 4.555 0 40 EJAB C[C@H](NC(=O)c1ccc(Br)o1)c1cccc2ccccc12 17840860 LHVFYSXTEBUCHR-NSHDSACASA-N 344.208 4.686 0 40 EJAB C[C@H]1CC[C@@H](c2cccn2C)N(C(=S)Nc2ccccc2)CC1 18943508 DTCACUGAERELGV-YJBOKZPZSA-N 327.497 4.585 0 40 EJAB O=C(Nc1cc(C(=O)O)c(Cl)cc1Cl)c1cccc(Cl)c1 20138031 YUCXLXIOAINCEN-UHFFFAOYSA-N 344.581 4.597 0 40 EJAB COc1ccc(-c2cc(C(=O)Sc3ccc(Cl)cc3)no2)cc1 20896715 CUQDCGMTMNNPJA-UHFFFAOYSA-N 345.807 4.936 0 40 EJAB Cc1ccc(-c2cnc(CCC(=O)Oc3ccc(C)cc3C)o2)cc1 21399797 ZRWIGQRAXKCSLN-UHFFFAOYSA-N 335.403 4.805 0 40 EJAB Cn1c(-c2nc(C(=O)Nc3ccccc3)cs2)cc2ccccc21 38910324 LDPCQXFBDNKBTK-UHFFFAOYSA-N 333.416 4.554 0 40 EJAB CCc1ccc2nc(-c3ccc(Br)c(N)c3)sc2c1 62719998 LZSVSXJPDZACQH-UHFFFAOYSA-N 333.254 4.870 0 40 EJAB Cc1nc2ccc(NC(=O)c3ccc(COc4ccccc4)o3)cc2o1 65503861 UAKYUPITNIGCIC-UHFFFAOYSA-N 348.358 4.561 0 40 EJAB C[C@H](c1nnc(-c2ccccc2)o1)N(Cc1ccsc1)C1CC1 69531274 JHTYBCHSLLXJIS-CYBMUJFWSA-N 325.437 4.524 0 40 EJAB Cc1oc(-c2ccsc2)nc1CC(=O)N(C)[C@@H](C)c1cccs1 69561307 WESGMSBPSHIJCE-NSHDSACASA-N 346.477 4.535 0 40 EJAB COc1cc(Br)ccc1-c1ccc(Br)cc1 90516385 SBAXDTAEFJLKOZ-UHFFFAOYSA-N 342.030 4.887 0 40 EJAB COc1ccc([C@H]2c3sc(O)nc3S[C@H]3[C@@H]4CC[C@H](C4)[C@H]23)cc1 100619927 NPIJXUGEZHABCE-BBIZWXPBSA-N 345.489 4.510 0 40 EJAB CC[C@H](Oc1ccccc1C)C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 223218875 TYHZQHIYBDWSDL-JXFKEZNVSA-N 337.463 4.519 0 40 EJAB Cc1ccc(O[C@H](C)C(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1 223452454 OIEPTXJJIOJJRZ-QZTJIDSGSA-N 325.452 4.565 0 40 EJAB CC1(C)C[C@@H](NC(=S)Nc2c(F)cccc2F)c2ccccc2O1 225577410 KLKMBYJQIZRVQQ-CQSZACIVSA-N 348.418 4.554 0 40 EJAB CCCOC1(C(=O)Nc2ccc(OC)c3ccccc23)CCCCC1 225852089 SVNHQLMJKMVSKP-UHFFFAOYSA-N 341.451 4.916 0 40 EJAB CC(=O)[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@]2(C)[C@@H]3CC[C@]2(C)O)C1 257346307 XWDRJXANNWFPCX-HOQLVIGXSA-N 332.528 4.985 0 40 EJAB CC(C)Oc1ccc(NC(=O)Nc2cccc3cc[nH]c23)c(F)c1 548485549 YWAMKQGTGLWOAB-UHFFFAOYSA-N 327.359 4.738 0 40 EJAB CC(C)CCn1c([C@@H]2CC(=O)N(c3ccccc3)C2)nc2ccccc21 572346 VIFKEKJVNJUFFE-QGZVFWFLSA-N 347.462 4.603 0 40 EJAB Cc1cc(/C=C2/C(=O)N(C)c3ccccc32)c(C)n1-c1ccc(F)cc1 575058 OKSUOQBYXFUCOF-DEDYPNTBSA-N 346.405 4.750 0 40 EJAB Cc1cc(=O)oc2cc(OCC(=O)c3cccc4ccccc34)ccc12 1465435 CQJDEHVBBQFJMB-UHFFFAOYSA-N 344.366 4.516 0 40 EJAB OC(c1ccncc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 4716448 VKOPHINUFIVPPC-UHFFFAOYSA-N 330.214 4.673 0 40 EJAB CN(Cc1ccc(F)cc1)Cc1csc(Nc2ccccc2)n1 6822527 VGQMVYWBLSKHNH-UHFFFAOYSA-N 327.428 4.658 0 40 EJAB O=C(Cc1ccccc1F)NCc1ccc(-c2ccc(Cl)cc2)o1 8316291 OAWGDTDTSVSCEH-UHFFFAOYSA-N 343.785 4.598 0 40 EJAB COc1ccccc1-n1nc(CSc2ccc(Cl)cc2)cc1O 9939759 DFCHSTPGBKJYMV-UHFFFAOYSA-N 346.839 4.532 0 40 EJAB Cc1cc(O[C@@H](C)C(=O)NC2CCCCCCC2)cc(C)c1Cl 14398407 NRSHTNNUKYLQJE-HNNXBMFYSA-N 337.891 4.953 0 40 EJAB Cc1ccc(-c2csc3ncnc(SCCC(=O)O)c23)cc1C 36108767 RBBJIXATEHHXDN-UHFFFAOYSA-N 344.461 4.542 0 40 EJAB Cc1ccccc1NC(=S)Nc1cccc(OC(F)(F)F)c1 43568706 RRTQDBIYYGZNLH-UHFFFAOYSA-N 326.343 4.703 0 40 EJAB COc1ccc2ccccc2c1CNC(=O)c1sccc1C1CC1 71835258 OBGBGOTWGXXIRS-UHFFFAOYSA-N 337.444 4.717 0 40 EJAB Fc1ccc([C@H]2CCC[C@@H]2NCc2ncc(-c3cccs3)o2)cc1 95941411 WDOMUAALMGFFED-CVEARBPZSA-N 342.439 4.968 0 40 EJAB C[C@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)[C@H]1C[C@@H]2CC[C@@H]1C2 100549379 QQKRIDPKLWUPHG-SBFPOUOMSA-N 327.255 4.940 0 40 EJAB O=C(C[C@@H]1C[C@@H]2CC[C@@H]1C2)Nc1nnc(-c2ccccc2Cl)s1 100633224 FBLJVCBHQZBBNU-UTUOFQBUSA-N 347.871 4.623 0 40 EJAB S=C(Nc1cccc(/C=C/c2ccccn2)c1)N[C@H]1C[C@H]2CC[C@H]1C2 107459112 BHCQGLSGWBRCEC-WSHAZVDXSA-N 349.503 4.727 0 40 EJAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccccc1F)c1ccc(C)cc1 113960145 FTKRKYNYDXTSAG-ZWKOTPCHSA-N 329.415 4.559 0 40 EJAB Cc1ccc(C)c(NC(=O)c2ccc(Nc3nc(C)cc(C)n3)cc2)c1 170583720 NLGUMUJQUZCYNV-UHFFFAOYSA-N 346.434 4.706 0 40 EJAB COc1ccc(CN(CCc2ccccc2)Cc2ccccc2)cc1 199425349 FNHPJKQNHLFKRP-UHFFFAOYSA-N 331.459 4.940 0 40 EJAB CCOC(=O)c1ccccc1NC(=O)CCc1cccc2ccccc12 222658858 MXTSOMMDCYSXER-UHFFFAOYSA-N 347.414 4.588 0 40 EJAB COc1cc(C)c([C@@H](C)NC(=O)Cc2ccc(C)cc2)cc1C(C)C 223340345 BRTRWIOCTXXHAP-QGZVFWFLSA-N 339.479 4.855 0 40 EJAB Cc1cccc(C[C@H](Oc2ccc(C(C)(C)C)cc2)C(=O)O)c1C 225022660 TWTHZJGFUJIBFV-IBGZPJMESA-N 326.436 4.676 0 40 EJAB O=C(O)[C@H](Cc1ccc(Cl)cc1Cl)Oc1ccc(Cl)cc1 225085242 WAOJCBDNRAKMDP-AWEZNQCLSA-N 345.609 4.722 0 40 EJAB CO[C@@]1(C(=O)Nc2ccc(OC3CCCC3)c(C)c2)CCC[C@@H](C)C1 225637764 YWPOWWWMNNAXMW-VFNWGFHPSA-N 345.483 4.850 0 40 EJAB CCCC[C@@H](CC)CNC(=O)c1ccc(CN2CCC[C@H](C)C2)cc1 260853484 YVWUSEMEMDCNFC-RBUKOAKNSA-N 344.543 4.865 0 40 EJAB CC[C@H](C)Oc1ccccc1/C=C1/SC(=O)N([C@@H](C)CC)C1=O 409010139 JSRSAXALTMZHFM-DWAVZPTGSA-N 333.453 4.699 0 40 EJAB O=C(Nc1ccc2n[nH]cc2c1)c1ccccc1Sc1ccccc1 525162277 BBRIXFTZIRVEEF-UHFFFAOYSA-N 345.427 4.966 0 40 EJAB CC(C)(C)OC(=O)OCc1cn(C(=O)OC(C)(C)C)c2ccccc12 584906743 POQQDUFVMOTWIR-UHFFFAOYSA-N 347.411 4.876 0 40 EJAB COc1ccc(Cc2cc(Br)c(C)c3c2CCC3)cc1 1857794399 XIFMNCBCFRZLOE-UHFFFAOYSA-N 331.253 4.846 0 40 EJAB CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1nc2ccccc2s1 32804 ZJLUSUJYHCDTON-PELKAZGASA-N 341.263 4.826 0 40 EJAB Cc1ccc(C)c(CSc2nc3sc(C)c(C)c3c(=O)n2C)c1 531881 MQJROXXVFUIJKC-UHFFFAOYSA-N 344.505 4.521 0 40 EJAB CC(C)c1ccc(CN(CCO)Cc2ccc(C(C)C)cc2)cc1 1600465 OWVACFKJYXXTAG-UHFFFAOYSA-N 325.496 4.928 0 40 EJAB Cc1ccc(Nc2nnc(SC[C@H]3CCCCO3)s2)cc1C 2655228 PBPDQDNLUAJKKA-CQSZACIVSA-N 335.498 4.560 0 40 EJAB Cc1ccc(-n2ncc3c(Nc4ccc(C)c(Cl)c4)ncnc32)cc1 4354939 UNKNPTYYILYTLA-UHFFFAOYSA-N 349.825 4.829 0 40 EJAB Cn1cc([C@H]2c3ccccc3C(=O)N2Cc2ccco2)c2ccccc21 4747643 UYYRJGNZXLHARY-OAQYLSRUSA-N 342.398 4.517 0 40 EJAB O=C(N[C@H]1CCSc2ccccc21)c1ccc(C(F)(F)F)cc1 6558994 QOLXNKOVPILQIX-AWEZNQCLSA-N 337.366 4.672 0 40 EJAB C[C@@H](Oc1ccccc1)C(=O)Nc1nc2c(ccc3ccccc32)s1 7670822 CUGWHJBQCJCHMM-CYBMUJFWSA-N 348.427 4.856 0 40 EJAB Cc1nc2ccc(OCC(C)C)cc2c(O)c1CN1CCCC[C@@H]1C 8717967 IUGCVVCGSXFFNP-HNNXBMFYSA-N 342.483 4.658 0 40 EJAB Cc1ccc2cccc(NC(=O)COc3ccc(C(C)(C)C)cc3)c2n1 12651345 RJZIDMDUGJCFQR-UHFFFAOYSA-N 348.446 4.858 0 40 EJAB CSc1ccccc1NC(=O)Cc1coc2cc3c(cc12)CCC3 12787472 BZQSAFMOLHDUGF-UHFFFAOYSA-N 337.444 4.825 0 40 EJAB CCSc1nnc(-c2c[nH]c3ccccc23)n1-c1ccc(F)cc1 17316891 GEXCNBRAUATTHG-UHFFFAOYSA-N 338.411 4.667 0 40 EJAB CCOc1ccc2ccccc2c1CNc1cc(C(=O)O)ccc1C 20881269 ZJUGRACPUQHTEB-UHFFFAOYSA-N 335.403 4.857 0 40 EJAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(F)c(Cl)c1 22533244 GKZYTUSBKTVQIA-CQSZACIVSA-N 342.197 4.929 0 40 EJAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(F)c(F)c1 22567921 RLBWGZSKJFPXHX-UHFFFAOYSA-N 335.659 4.889 0 40 EJAB O=C(Cc1c[nH]c2ccccc12)Nc1ccccc1N1CCCCCC1 22828982 HYLDPJRBZDAFEL-UHFFFAOYSA-N 347.462 4.730 0 40 EJAB CCCc1nnc(NC(=O)c2ccc(-c3ccc(F)cc3)s2)s1 32719486 YKKRSWOOXXGZHH-UHFFFAOYSA-N 347.440 4.611 0 40 EJAB C[C@H](NC(=O)CCc1cccs1)c1ccc(Cl)c(Cl)c1 32892317 WYGPDMZMLWQJLS-JTQLQIEISA-N 328.264 4.865 0 40 EJAB CCOC(=O)c1c(CCCc2cc(C)ccc2C)cccc1OC 35973503 OAHLHBLDCRFWNU-UHFFFAOYSA-N 326.436 4.664 0 40 EJAB Cc1cccc2cc(C(=O)Nc3cccc(Br)c3)oc12 41330043 SPRWQWFCVIVQTB-UHFFFAOYSA-N 330.181 4.756 0 40 EJAB Cc1cc(N[C@@H](C)c2nnc(-c3ccccc3)o2)ccc1N1CCCC1 57964459 VQUKNCHZRNAISA-INIZCTEOSA-N 348.450 4.818 0 40 EJAB O=C(NCc1cc2ccccc2[nH]1)c1ccc(Oc2ccccc2)cc1 58377983 CBZOSYHPCXCHHN-UHFFFAOYSA-N 342.398 4.890 0 40 EJAB CC(C)N1CCC2(CC1)CN(Cc1ccccc1)c1ccc(F)cc12 96261814 CSQRUNOBNTZZSS-UHFFFAOYSA-N 338.470 4.588 0 40 EJAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccc(Cl)c3)N21 222643320 ZSUQXRICNMYPEL-USXIJHARSA-N 343.883 4.714 0 40 EJAB CCc1ccccc1C[C@@H](Oc1ccccc1C(C)(C)C)C(=O)O 225039851 GRGVBHXNLNHPRS-LJQANCHMSA-N 326.436 4.621 0 40 EJAB CCc1ccc(CCC(=O)NCc2cccc(C(F)(F)F)c2)cc1 225836037 FGUUVLOVVXJNAJ-UHFFFAOYSA-N 335.369 4.517 0 40 EJAB COc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cc1OC 225931224 WFNLKCASLDNFEB-UHFFFAOYSA-N 339.435 4.544 0 40 EJAB CCCCCC(=O)Nc1ccc(-c2ccc(C(=O)O)o2)c(Cl)c1 226352758 OVEWHGZUSNQCGR-UHFFFAOYSA-N 335.787 4.817 0 40 EJAB O=C(c1cc2sccc2[nH]1)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 552961890 VNLMQVHDJNYNNH-DAYGRLMNSA-N 336.460 4.638 0 40 EJAB CSc1ccccc1C(=O)NCc1ccc(-c2ccsc2)o1 575610466 NMJRKDRXJSPABF-UHFFFAOYSA-N 329.446 4.660 0 40 EJAB CC1(C)[C@@H](C(=O)Nc2nc3ccccc3s2)[C@@H]1C=C(Cl)Cl 32803 ZJLUSUJYHCDTON-QPUJVOFHSA-N 341.263 4.826 0 40 EJAB Fc1ccc(-c2cc(C(F)(F)F)nc(N3CCCCCC3)n2)cc1 213198 CJQKQXMODNZMKU-UHFFFAOYSA-N 339.336 4.682 0 40 EJAB COc1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1Cl 365515 FNLLJZNHGIVBIB-UHFFFAOYSA-N 330.598 4.908 0 40 EJAB O=c1c2ccccc2nc(-c2ccco2)n1-c1ccc2ccccc2c1 509572 FVMKAQBWMPXSJY-UHFFFAOYSA-N 338.366 4.799 0 40 EJAB Cc1ccccc1NC(=O)CCCOc1ccc(Br)cc1 2618112 PEXCEGCCJUIJFW-UHFFFAOYSA-N 348.240 4.555 0 40 EJAB Cn1c(-c2ccc(F)cc2)cnc1NCc1ccc(C(F)(F)F)cc1 4678523 FIJXYOPEPAMTQY-UHFFFAOYSA-N 349.331 4.857 0 40 EJAB c1ccc2c(c1)ccn2Cc1nnc(Cn2ccc3ccccc32)s1 4682614 DDHBRLYLMAQBRI-UHFFFAOYSA-N 344.443 4.544 0 40 EJAB COc1ccc2sc(Nc3cccc(Br)c3)nc2c1 5087649 DPUCOWZGAGLMJN-UHFFFAOYSA-N 335.226 4.811 0 40 EJAB O=C(Nc1ccccn1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 6616674 PSGQQPGZZBBJMM-UHFFFAOYSA-N 332.281 4.613 0 40 EJAB Cc1ccccc1SCC(=O)Nc1ccc(N2CCCCC2)cc1 6654418 MGSWKYAQLFZFBA-UHFFFAOYSA-N 340.492 4.716 0 40 EJAB Fc1ccc(-c2noc(CSc3nc4ccccc4s3)n2)cc1 7164145 MUKDUMIBRXFWBC-UHFFFAOYSA-N 343.408 4.778 0 40 EJAB O=C1c2ccccc2N[C@H](c2ccc(-c3ccccc3F)o2)N1C1CC1 7364521 UZLVPSAFPFMCJL-FQEVSTJZSA-N 348.377 4.815 0 40 EJAB CCOCCCNCc1ccc(-c2cc(Cl)cc(Cl)c2)o1 7524719 JWUQGEQHAHVIMU-UHFFFAOYSA-N 328.239 4.770 0 40 EJAB c1nnc(-c2ccc(OCc3csc(-c4ccsc4)n3)cc2)o1 7764787 JKXISKUBNZBYHO-UHFFFAOYSA-N 341.417 4.501 0 40 EJAB Cc1ccc2oc(C(=O)N(Cc3ccccc3)c3ccccc3)cc2n1 8798630 WZJAPQVDUBPPRP-UHFFFAOYSA-N 342.398 4.983 0 40 EJAB COc1ccc(CNc2nc3ccccc3n2Cc2ccccc2)cc1 9356292 IHPBVJFCWCKFHF-UHFFFAOYSA-N 343.430 4.705 0 40 EJAB C[C@@H]1CC2=C(C[C@H]1[C@@H]1OC[C@@H](CN3CCCCC3)O1)C(C)(C)CCC2 12556111 GWNYATQURCVOGA-XLBJILASSA-N 347.543 4.767 0 40 EJAB C[C@@H](Oc1cccc2ccccc12)C(=O)NCc1ccccc1Cl 13709260 PLNKEQXBLPOVIW-CQSZACIVSA-N 339.822 4.577 0 40 EJAB CCCCc1ccc(NS(=O)(=O)c2ccc(C(C)C)cc2)cc1 14255768 OPKAYJXRZPWMES-UHFFFAOYSA-N 331.481 4.953 0 40 EJAB COc1ccc(CSCC(=O)Nc2ccc(Cl)cc2C)cc1 20237823 BXJHNYOADCBDSM-UHFFFAOYSA-N 335.856 4.529 0 40 EJAB C[C@@H](Sc1ccccc1)C(=O)Nc1ccccc1C(F)(F)F 20238479 RKUHVBYHHHTKJY-LLVKDONJSA-N 325.355 4.825 0 40 EJAB CCCCSCC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 24790957 RGZRIDXQBUDMFE-UHFFFAOYSA-N 335.469 4.590 0 40 EJAB C[C@H](NC(=O)c1cc(Cl)ccc1F)c1cccc(OC(F)F)c1 32931096 VUGBPOZXRNQWIV-VIFPVBQESA-N 343.732 4.572 0 40 EJAB Cn1cccc1[C@@H]1CCCCCN1C(=O)c1cc(Cl)ccc1F 36393632 RSYXGYQOPHTBRH-KRWDZBQOSA-N 334.822 4.575 0 40 EJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@@H](C)c1ccc(C)cc1C 44850454 ZETYMKLZHOQLMG-ICSRJNTNSA-N 339.479 4.955 0 40 EJAB COc1cc(OC)c(NC(=O)Nc2ccc(C)c(C)c2)cc1Cl 51354190 SVXBTIGBFJCZNR-UHFFFAOYSA-N 334.803 4.618 0 40 EJAB O=C(Nc1nc2ccccc2s1)C12CC3C[C@H](CC[C@@H](C3)C1)C2 101024412 UVVTYOSSRCQQEN-HYBWSFCUSA-N 326.465 4.841 0 40 EJAB CCOc1ccc(NCc2nnc(-c3cccc(Cl)c3)o2)c(C)c1 133409779 PIFPHXTUGNHTGE-UHFFFAOYSA-N 343.814 4.709 0 40 EJAB CC(C)Oc1cccc(CNC(=O)C2(c3ccccc3)CCCC2)c1 223427167 IFGLESXXURZNCB-UHFFFAOYSA-N 337.463 4.602 0 40 EJAB CC1(C)C[C@@H](NC(=S)Nc2cccc(Cl)c2)c2ccccc2O1 225575379 QZTYKAGJAYKANP-OAHLLOKOSA-N 346.883 4.929 0 40 EJAB O=C(COc1cccc(C(F)(F)F)c1)Nc1ccc(F)c(Cl)c1 225810744 BYFJNYJLDISTSI-UHFFFAOYSA-N 347.695 4.515 0 40 EJAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](C1)C(=O)C[C@@H]1[C@@H]3CCC[C@@]3(C)CC[C@H]12 257345827 KDFBVYUYNLYXGM-FZAOWKRDSA-N 332.484 4.530 0 40 EJAB COc1ccccc1Cc1nnc(S[C@@H](C)c2ccccc2)o1 589276185 IATXVFNUYORNFH-ZDUSSCGKSA-N 326.421 4.522 0 40 EJAB C[C@@H](C(=O)Nc1ccc(F)cc1)c1cccc(C(=O)c2ccccc2)c1 364137 AHWRQIAWMVRZEM-OAHLLOKOSA-N 347.389 4.799 0 40 EJAB O=Cc1ccc(OCc2ccc3ccccc3c2)c(Br)c1 586346 OPFFFTMKULYABX-UHFFFAOYSA-N 341.204 4.994 0 40 EJAB O=C(NCc1ccccc1)c1cn(Cc2ccccc2)c2ccccc12 1402135 PBTYMRHLMVJQBD-UHFFFAOYSA-N 340.426 4.620 0 40 EJAB CCC[C@@H](CC)[C@](O)(c1ccccc1)c1ccc(OCOC)cc1 1719865 CLYCETMYZQSFRN-UTKZUKDTSA-N 328.452 4.732 0 40 EJAB COc1ccccc1[C@@H]1C[C@@H](c2ccc(C(C)C)cc2)Nc2ncnn21 2919419 DNVYOFNGJIIWIQ-OALUTQOASA-N 348.450 4.556 0 40 EJAB CC(C)c1ccccc1NC(=O)/C=C/c1ccc(Br)o1 3409753 FOCRTSKSRQOUID-CSKARUKUSA-N 334.213 4.817 0 40 EJAB Cc1cccc(N(CC(=O)c2ccccc2)CC(=O)c2ccccc2)c1 5798964 PGQKODRGJMJCHJ-UHFFFAOYSA-N 343.426 4.567 0 40 EJAB CC[C@@H]1CCc2sc(C(=O)Nc3cccc(C(C)=O)c3)cc2C1 6376930 YQFJFHISEBISKZ-CYBMUJFWSA-N 327.449 4.718 0 40 EJAB CSc1cccc(NC(=O)CSCc2cccc(Cl)c2)c1 7094139 NIRHIUDAJPNETK-UHFFFAOYSA-N 337.897 4.934 0 40 EJAB COc1ccc(CNC(=O)C2(Cc3ccccc3)CCCCC2)cc1 8727992 ZRJPPKHZMAGLQC-UHFFFAOYSA-N 337.463 4.505 0 40 EJAB Cc1cc(C)cc(OC(=O)c2cc(-c3ccc(Cl)cc3)on2)c1 8830912 IEHXLRRWODPPQF-UHFFFAOYSA-N 327.767 4.831 0 40 EJAB O[C@](c1nc2ccccc2s1)(c1c[nH]c2ccccc12)C(F)(F)F 9453224 IGPTWYSKNZTNGY-INIZCTEOSA-N 348.349 4.576 0 40 EJAB O=C(CSc1nc(C2CC2)n[nH]1)c1ccc(C2CCCCC2)cc1 11471955 QHJBRCHTZIEKQR-UHFFFAOYSA-N 341.480 4.705 0 40 EJAB Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc(F)cc1Cl 12819714 RLYIWDBNKRBBKE-UHFFFAOYSA-N 344.773 4.624 0 40 EJAB CCc1cccc(CC)c1NC(=O)Cc1ccc(Br)cc1 15960968 RFSSTGRAJFDWCE-UHFFFAOYSA-N 346.268 4.755 0 40 EJAB Cc1ccccc1[C@H](C)NC(=O)c1cc(F)c(Cl)cc1Cl 17365721 AYTUGNLQIZMIBN-JTQLQIEISA-N 326.198 4.932 0 40 EJAB COc1ccc2cc([C@@H]3SCC(=O)N3c3ccccc3)ccc2c1 19927274 DNKCISOKTVGYDL-FQEVSTJZSA-N 335.428 4.627 0 40 EJAB CCc1ccccc1O[C@H](C)C(=O)Nc1c(Cl)cccc1Cl 20494027 GTPDXKUUWSKFIZ-LLVKDONJSA-N 338.234 4.962 0 40 EJAB O=C(Cc1coc(-c2ccccc2)n1)Nc1ccc(C(F)(F)F)cc1 27008386 FLDLJIWJABGSDA-UHFFFAOYSA-N 346.308 4.542 0 40 EJAB Cc1cc(Br)cc(C)c1NC(=S)NC1CCCCC1 44195231 GHEVFAJALWJVFE-UHFFFAOYSA-N 341.318 4.685 0 40 EJAB COc1cc(-c2ccccc2)sc1C(=O)N(C)Cc1ccoc1C 65689990 CYIQGFSZIHHVFU-UHFFFAOYSA-N 341.432 4.597 0 40 EJAB CCc1ccc2oc(-c3cccc(I)c3)nc2c1 73639080 QCMBRJRQRDBPFL-UHFFFAOYSA-N 349.171 4.662 0 40 EJAB Cc1ncc(CN(C)C(=O)Nc2ccccc2-c2cccs2)s1 78535244 QICORVCUJHTFSE-UHFFFAOYSA-N 343.477 4.844 0 40 EJAB Cc1c(Br)c(Cl)nc2ccc(Br)cc12 95096522 LABVXDQVQFAHPF-UHFFFAOYSA-N 335.426 4.722 0 40 EJAB Cc1cc(F)ccc1NC(=O)N1CCSC[C@H]1c1cccs1 95403778 NEJFBZKLCNMWFV-AWEZNQCLSA-N 336.457 4.518 0 40 EJAB O=C(c1ccc(Oc2ccccc2)nc1)N1CCCC12CCCCC2 95444168 NZYWQWUOGNHUJK-UHFFFAOYSA-N 336.435 4.813 0 40 EJAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NCc1csc(-c3ccccn3)n1)C2 102154959 VJRIICVLKLUZJS-CRFBAAHOSA-N 327.497 4.510 0 40 EJAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N[C@H]1CCCc2ccccc21 113970354 MGQLYOIRUIFVRQ-SFTDATJTSA-N 337.463 4.655 0 40 EJAB Cc1nc(C(C)C)ncc1C(=O)Nc1ccc(Oc2ccccc2)cc1 222572255 MMDSNJKXBVKQMK-UHFFFAOYSA-N 347.418 4.953 0 40 EJAB Cc1c(N)cccc1NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 226365501 TTZPTDUOUUHQFV-UHFFFAOYSA-N 326.783 4.743 0 40 EJAB Cc1ccc(SCCC(=O)N[C@@H](C)CCc2ccccc2)cc1 253597439 XVHVCESXSAUFIN-KRWDZBQOSA-N 327.493 4.615 0 40 EJAB Cc1c(/C=C2\SC(=O)N(c3ccccc3)C2=O)c2ccccc2n1C 408819322 QABJCCPPCLEMRG-PDGQHHTCSA-N 348.427 4.728 0 40 EJAB CC1(C)[C@H]2CC[C@]1(C)c1nc(SCc3ccc(Cl)cc3)nnc12 422503 ZJTFZELJDIFDGW-SCLBCKFNSA-N 345.899 4.992 0 40 EJAB Cc1ccc(Nc2nc(-c3c(C)nc4sccn34)cs2)cc1 1025796 YPEJXZAEZXYWAU-UHFFFAOYSA-N 326.450 4.880 0 40 EJAB O=C(CSc1ccc2ccccc2c1)Nc1cc(F)ccc1F 3382352 PUXAWFXJEWTMIB-UHFFFAOYSA-N 329.371 4.849 0 40 EJAB O=C(COc1ccc(F)cc1Cl)Nc1cccc2ccccc12 3442766 BCVMOZWBLAXASL-UHFFFAOYSA-N 329.758 4.650 0 40 EJAB O=C(Cc1ccccc1Cl)Nc1nc(-c2ccccc2)cs1 3480798 FXOWNBBUJMTEQY-UHFFFAOYSA-N 328.824 4.645 0 40 EJAB C[C@H]1CC[C@](C)(C(=O)CCOC(=S)Nc2ccccc2)C1(C)C 4235368 DAMDHESDQQVJRM-IFXJQAMLSA-N 333.497 4.822 0 40 EJAB biogenic CSc1ccccc1C(=O)Nc1nc2ccc(Cl)cc2s1 4517369 LVWUDNYGOQTKNS-UHFFFAOYSA-N 334.853 4.924 0 40 EJAB C[C@H]1C(=O)OC[C@H]1C(c1ccccc1)(c1ccccc1)c1ccccc1 5187398 DKOSWZCNBQSOEC-XMSQKQJNSA-N 342.438 4.830 0 40 EJAB Cc1ccc(-c2ccc(C(=O)Nc3ccc(N(C)C)cc3)o2)cc1C 6044501 QVSPWYRTCBXNSU-UHFFFAOYSA-N 334.419 4.882 0 40 EJAB CCc1sc(C(=O)NCc2ccc(Cl)cc2Cl)cc1C 6284490 PUVDIRNAYDWSLU-UHFFFAOYSA-N 328.264 4.856 0 40 EJAB Cc1ccc(-n2c(C)nnc2SCc2ccccc2Cl)cc1 8090627 DAYNKVDNHJNATP-UHFFFAOYSA-N 329.856 4.830 0 40 EJAB COc1ccccc1/C=C/[C@@H]1Nc2ccccc2C(=O)N1C1CCCC1 8721450 KRSMMRXBHXJLTO-IBUXMESJSA-N 348.446 4.545 0 40 EJAB Cc1ccc([C@H](CCN[C@@H]2CCO[C@H](C(C)C)C2)c2ccco2)cc1 9485879 BGTUPBQBRXSYOP-URVUXULASA-N 341.495 4.903 0 40 EJAB O=c1[nH]c2c(s1)[C@@H](c1ccccc1Cl)[C@H]1[C@@H](S2)[C@H]2CC[C@@H]1C2 11859694 JSSBVGZWZPTGCP-LKKYHPLOSA-N 349.908 4.742 0 40 EJAB O=C(O)C1(Cc2ccccc2-c2coc3ccccc23)CCOCC1 12366435 FSKSRMHUXOYRII-UHFFFAOYSA-N 336.387 4.524 0 40 EJAB Cc1cc(C)c2[nH]c(=O)c(CNc3cccc(Cl)c3C)cc2c1 12493028 AHVJNMYQNHBUFI-UHFFFAOYSA-N 326.827 4.719 0 40 EJAB O=C(Cc1cccs1)Nc1cc(Cl)ccc1N1CCCCC1 12536621 DGOQLHWXBZTAPS-UHFFFAOYSA-N 334.872 4.573 0 40 EJAB COc1cccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2)c1 12608712 CFSNOGAUSWTKJO-FQEVSTJZSA-N 348.377 4.605 0 40 EJAB COc1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2ccc3ccccc3c2)cc1 12754286 LSMFEVRVLVSGJC-JKSUJKDBSA-N 348.446 4.526 0 40 EJAB O=C(NCC1(c2cccs2)CCCC1)c1ccc(F)cc1Cl 13803100 UHLRZDWNZPNXLP-UHFFFAOYSA-N 337.847 4.782 0 40 EJAB O=C(CCCOc1ccccc1)Nc1nc(-c2cccs2)cs1 14122933 SELCINAHXRZXET-UHFFFAOYSA-N 344.461 4.669 0 40 EJAB C[C@H](c1cccs1)N(C)Cc1nc(-c2ccccc2Cl)no1 16435158 WZJKQYYGDZXQGZ-LLVKDONJSA-N 333.844 4.645 0 40 EJAB CC[C@@H](NC(=O)[C@@H](C)Oc1cc(C)ccc1C)c1ccc(C)cc1 20457781 LYCRQPALJXVHMM-IEBWSBKVSA-N 325.452 4.647 0 40 EJAB CCOc1cc2c(cc1OCC)[C@@H](c1ccc(C(C)C)cc1)NCC2 20506924 ZESXVLFZJSACQA-JOCHJYFZSA-N 339.479 4.843 0 40 EJAB Cc1cccc(-n2ncc3c2C[C@@H](c2cccc(Cl)c2)CC3=O)c1 20632842 CADJWBQMFHCPEM-OAHLLOKOSA-N 336.822 4.747 0 40 EJAB Cc1ccccc1Nc1nn(-c2ccc(F)cc2)c2c1C(=O)C[C@@H](C)C2 20796573 MBZWEMVDIKSBHI-ZDUSSCGKSA-N 349.409 4.828 0 40 EJAB Cc1cccc(C)c1Nc1ncccc1C(=O)Nc1ccc(F)cc1 22071970 CCXZHOYEGJJIJX-UHFFFAOYSA-N 335.382 4.833 0 40 EJAB O=C(NC1CCCCC1)c1cccnc1Nc1ccc(Cl)cc1 22072934 XBUFAGFTGBERJA-UHFFFAOYSA-N 329.831 4.541 0 40 EJAB Cc1ccn(-c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)n1 28219763 VUZVCXKLVODUJG-UHFFFAOYSA-N 346.217 4.740 0 40 EJAB Cc1ncc(-c2ccc(NC(=O)c3cccc(-n4cccc4)c3)cc2)o1 29952780 GEGXAVYFGDCMKD-UHFFFAOYSA-N 343.386 4.693 0 40 EJAB Cn1cccc1[C@@H]1CCCCCN1C(=O)c1ccc(Cl)cc1F 40047337 KOBYVJJXTYJSGN-KRWDZBQOSA-N 334.822 4.575 0 40 EJAB COC(=O)c1ccc(Nc2ccnc3ccc(C(F)(F)F)cc23)cc1 40175522 TXQCWFITLUOBAE-UHFFFAOYSA-N 346.308 4.784 0 40 EJAB Cc1cnc(-c2cccc(NC(=O)c3ccccc3C(F)(F)F)c2)o1 66811621 KCHCZHLCSKWVRU-UHFFFAOYSA-N 346.308 4.921 0 40 EJAB Fc1ccc(-c2cccc([C@@H]3CCCN(Cc4ccncc4)C3)n2)cc1 72348798 QHEXOTGYMFYMMP-LJQANCHMSA-N 347.437 4.662 0 40 EJAB O=C(NC12CC3CC(CC(C3)C1)C2)N1CCC(c2cccs2)CC1 75157193 CRKAVVVLRRQPJB-UHFFFAOYSA-N 344.524 4.606 0 40 EJAB Cc1cc(-c2nc(-c3ccccc3)sc2CC(=O)O)ccc1F 95097139 WPKLLVLWLRRWJV-UHFFFAOYSA-N 327.380 4.552 0 40 EJAB C[P@](=O)(Nc1ccc(Br)cc1)Oc1ccccc1 101079709 LLHOGDYDZMFAGL-GOSISDBHSA-N 326.130 4.763 0 40 EJAB Cc1cc(C)cc(O[C@@H](C)C(=O)N[C@@H](CC(C)C)c2ccccc2)c1 219546527 KZFUDYAODAFRPD-RXVVDRJESA-N 339.479 4.974 0 40 EJAB COc1cc(C)c([C@@H](C)NC(=O)CCc2ccccc2)cc1C(C)C 223272725 HFTOBWXYXDTPBA-QGZVFWFLSA-N 339.479 4.937 0 40 EJAB Cc1ccccc1O[C@H](Cc1ccccc1Oc1ccccc1)C(=O)O 225138270 ZHZPMYXCJSULLR-OAQYLSRUSA-N 348.398 4.862 0 40 EJAB CC[C@H](NC(=O)Cc1cccc(Br)c1)c1ccc(C)cc1 225618179 VBMAHBCNENTWQB-KRWDZBQOSA-N 346.268 4.568 0 40 EJAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc2c(c1)CCCC2 225633057 FOPLRTPSBBSGQP-FQEVSTJZSA-N 349.474 4.906 0 40 EJAB CCCOC1(C(=O)Nc2ccc(OC(C)C)cc2)CCCCCC1 225658911 MKNINGVDPPQKQY-UHFFFAOYSA-N 333.472 4.932 0 40 EJAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1c(Cl)cccc1Cl 408702058 AOCWYSMGAFFCFW-VIFPVBQESA-N 328.170 4.539 0 40 EJAB CCCCc1ccc(NC(=O)c2cn(CC)c3ccccc3c2=O)cc1 408713372 VQLUOYNJAMRIOP-UHFFFAOYSA-N 348.446 4.616 0 40 EJAB COc1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)cc1 408999716 XKZYGLWEMZHIPP-KIXCERJESA-N 349.430 4.690 0 40 EJAB COc1ccc(F)c(CN[C@H](C)Cc2cccc(C(F)(F)F)c2)c1 1560941478 QAPBWKXIBLNRKR-GFCCVEGCSA-N 341.348 4.574 0 40 EJAB CC[C@@H](C(=O)NCCc1ccc(-c2ccco2)s1)c1ccccc1 2086896816 JKAXXSYJRJPOHV-QGZVFWFLSA-N 339.460 4.861 0 40 EJAB CCc1nc2ccccc2c(C(=O)Nc2ccc(C(C)=O)cc2)c1C 411486 IJJAEFDKWXFLKC-UHFFFAOYSA-N 332.403 4.561 0 40 EJAB COc1ccc2[nH]c3c(c2c1)CCNC31CCC(C(C)(C)C)CC1 1304673 LSVYUUDFHWHORL-UHFFFAOYSA-N 326.484 4.754 0 40 EJAB COc1ccc(C(C)=O)c(OCc2ccc(Cl)c(Cl)c2)c1 3256637 BQRNRKJJQBQDPM-UHFFFAOYSA-N 325.191 4.784 0 40 EJAB CCCCCc1nnc(NC(=O)c2cccc(C(F)(F)F)c2)s1 3557736 HAMUSSSVGUPGFF-UHFFFAOYSA-N 343.374 4.542 0 40 EJAB C[C@H]1CCC[C@H](C)N1C[C@@H](C)OC(=O)c1ccc(C(C)(C)C)cc1 3904910 WNBGEAYOJFECOY-YESZJQIVSA-N 331.500 4.792 0 40 EJAB CC[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(F)cc2)N3)C1 4545464 HBDHUZYIASECNZ-QLJPJBMISA-N 330.428 4.831 0 40 EJAB Cc1ccc(CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)c(C)c1 5267982 PBECNDCQTRURGM-UHFFFAOYSA-N 340.423 4.747 0 40 EJAB CCC1CCC(Nc2ccc(C(C)C)cc2)(P(=O)(O)O)CC1 12527133 LQZPZUMNGULUEL-UHFFFAOYSA-N 325.389 4.696 0 40 EJAB CC(=O)c1ccc(NC(=O)c2sc(-c3ccsc3)nc2C)cc1 12982212 XDNNEFTUPRYKMC-UHFFFAOYSA-N 342.445 4.635 0 40 EJAB C[C@H](Nc1ccc2nnc(-c3ccccc3Cl)n2n1)c1ccccc1 13628933 HJJJWKKYPPHFMI-ZDUSSCGKSA-N 349.825 4.618 0 40 EJAB COc1ccc(CCc2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1 17072342 RXBWOBRBNJPHLP-UHFFFAOYSA-N 348.324 4.549 0 40 EJAB O=C(Nc1ccc(F)cc1)C1[C@H]2CC[C@H]3[C@@H](CC[C@H]12)C3(Cl)Cl 17860846 NLTXPOMUPHQBKJ-JZAZDWQXSA-N 342.241 4.620 0 40 EJAB Cc1ccc([C@@H]2SCC(=O)N2c2ccc(F)c(Cl)c2)cc1C 19926858 BYMQNELFUZQGRF-KRWDZBQOSA-N 335.831 4.875 0 40 EJAB Cc1ccccc1O[C@@H](C)C(=O)N[C@H](CC(C)C)c1ccccc1 20104235 DNKSXOOKSYDNAB-PKOBYXMFSA-N 325.452 4.666 0 40 EJAB CC(C)c1ccc(/C=C/C(=O)Nc2ccc(C(=O)O)c(Cl)c2)cc1 20145125 SWOMRHWNIZDJAR-BJMVGYQFSA-N 343.810 4.814 0 40 EJAB Cc1cccc(NC(=O)c2cc(N3CCCCC3)nc3ccccc23)c1 20150029 LKOUAJDGMIWHAI-UHFFFAOYSA-N 345.446 4.786 0 40 EJAB c1ccc(-c2cnc(CN[C@H](c3ccccc3)c3ccccn3)o2)cc1 25419637 AMRBVXIVHOPJNP-JOCHJYFZSA-N 341.414 4.616 0 40 EJAB Cc1ccc(-c2nnc(S[C@H](C)c3nc(C(C)C)no3)o2)cc1C 27773069 XJDQAYYSVWMGGN-GFCCVEGCSA-N 344.440 4.713 0 40 EJAB Cc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)n(C2CCCC2)n1 28240757 VPMJMGKERWMMMG-UHFFFAOYSA-N 325.456 4.856 0 40 EJAB Clc1ccc(-c2nc(CSc3nc4ccccc4o3)no2)cc1 29296152 YUBDDMXXAOLOFN-UHFFFAOYSA-N 343.795 4.824 0 40 EJAB O=C(Nc1cccc(COCC2CC2)c1)c1ccc(F)cc1Cl 58066062 YUNOAQHUDNSYKO-UHFFFAOYSA-N 333.790 4.658 0 40 EJAB Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NC(C)(C)C 65403220 RKFQRLFFWNYBOJ-UHFFFAOYSA-N 342.386 4.666 0 40 EJAB CC[C@@H](c1ccncc1)N(CC)C(=O)Nc1cccc([C@H](C)OC)c1 96418045 JRWNWMOSDHVJGI-KXBFYZLASA-N 341.455 4.794 0 40 EJAB CCCCOc1ccc(NC(=O)[C@]23CC[C@@](C)(C(=O)C2)C3(C)C)cc1 100932174 FVHNJNYGINNMIT-SFTDATJTSA-N 343.467 4.590 0 40 EJAB O=c1[nH]c2c(s1)[C@H](/C=C/c1ccccc1)[C@H]1[C@@H]3CC[C@H](C3)[C@H]1S2 101262106 VGFYUYWOQJIDBW-YMVQXITCSA-N 341.501 4.754 0 40 EJAB CC[C@H](C)Sc1nnc(COc2ccc(Cl)cc2Cl)o1 133301402 QXVUCHNNTLXARK-QMMMGPOBSA-N 333.240 4.846 0 40 EJAB CC[C@H](NC(=O)COc1cccc(C)c1)c1ccc2c(c1)CCCC2 223125779 UXWBTEJEQDFPEZ-NRFANRHFSA-N 337.463 4.520 0 40 EJAB C[C@H](NC(=S)Nc1ccc(Cl)cc1)c1ccc2c(c1)CCC2 223257650 OSZBNAWDAGUGLM-LBPRGKRZSA-N 330.884 4.876 0 40 EJAB Cc1ccc(CCCNC(=S)Nc2cccc(OC(C)C)c2)cc1 225389312 NNOQLVKQOOUSCH-UHFFFAOYSA-N 342.508 4.701 0 40 EJAB CC[C@H](C)Oc1c(C)cc(NC(=O)[C@](C)(CC(C)C)OC)cc1C 225608976 ALQGCGZWIYMIGH-JXFKEZNVSA-N 335.488 4.870 0 40 EJAB CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3[C@H](CC[C@]12C)[C@]1(C)CCC(=O)C[C@H]1C[C@H]3C 253617423 LLEADQQVTIBBHB-CAYJHACFSA-N 346.511 4.776 0 40 EJAB COC(=O)c1ccc(CN2c3c(C)cccc3[C@H](C)CC2(C)C)o1 260616209 GYEIASBWJWWORS-CQSZACIVSA-N 327.424 4.667 0 40 EJAB C[C@H](C(=O)Nc1ccc(F)cc1)c1cccc(C(=O)c2ccccc2)c1 364136 AHWRQIAWMVRZEM-HNNXBMFYSA-N 347.389 4.799 0 40 EJAB CC(=O)Nc1cc2c(c(Cl)c1Cl)-c1ccc(Cl)cc1C2=O 1569602 MRYYABUNSRUVRX-UHFFFAOYSA-N 340.593 4.817 0 40 EJAB c1ccc2c(-c3csc(Nc4ccc5c(c4)OCCO5)n3)c[nH]c2c1 2636815 WXZOKGQQTIJOGA-UHFFFAOYSA-N 349.415 4.806 0 40 EJAB Cc1cc2n(n1)[C@@H](C(F)(F)C(F)(F)F)C[C@H](c1ccc(F)cc1)N2 2783389 JIZFPFIDCXNZOD-VXGBXAGGSA-N 349.278 4.626 0 40 EJAB COc1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1F 3583807 PAXICNUKSIQEAK-UHFFFAOYSA-N 338.260 4.570 0 40 EJAB COc1ccc2oc(=N)c(-c3nc(-c4ccccc4)cs3)cc2c1 3898260 VINCBWOXUJNOLC-UHFFFAOYSA-N 334.400 4.711 0 40 EJAB CC(C)Sc1nnc(NC(=O)c2ccc(Cl)c(Cl)c2)s1 4723917 KEYIDGMFTLMVOB-UHFFFAOYSA-N 348.280 4.598 0 40 EJAB C[n+]1ccc(/C=C/c2cn(Cc3ccccc3F)c3ccccc23)cc1 4932911 LGEMJZHPYYNIOQ-UHFFFAOYSA-N 343.425 4.824 0 40 EJAB COc1ccc([C@H](CCNCc2ccco2)c2ccc(F)cc2)cc1 5478145 LNTUBGPCAUYINL-OAQYLSRUSA-N 339.410 4.739 0 40 EJAB COCc1c(C(=O)O[C@H](C)c2ccc(F)cc2)oc2ccccc12 6216499 YBMKPPGUTNWCRZ-GFCCVEGCSA-N 328.339 4.636 0 40 EJAB C[C@H](NC(=O)c1oc2ccccc2c1COc1ccccc1)C1CC1 8429773 AOIPCKOBWYIZEK-AWEZNQCLSA-N 335.403 4.540 0 40 EJAB CCCCCNC(=O)Cc1csc(SCc2ccc(C)cc2)n1 8936401 DRKNGZLXMYXDDF-UHFFFAOYSA-N 348.537 4.593 0 40 EJAB Cc1cc(C)cc(OCC(=O)Nc2nc3c(C)ccc(C)c3s2)c1 14257999 BDWOBKJLCYVCLM-UHFFFAOYSA-N 340.448 4.547 0 40 EJAB CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@H](C)c1cc(C)ccc1C 20452635 LDSVUGXKCNMUGV-QUCCMNQESA-N 339.479 4.955 0 40 EJAB CC[C@@H](NC(=O)[C@@H](C)Oc1cccc(C)c1C)c1ccc(C)cc1 20454854 YFKNUPKPDIULHY-IEBWSBKVSA-N 325.452 4.647 0 40 EJAB O=C(CCc1ccc(Cl)cc1)Nc1ccccc1Br 24689069 XXSAAUXGJSVLRO-UHFFFAOYSA-N 338.632 4.674 0 40 EJAB Fc1cccc(Cl)c1CN(Cc1nc2ccccc2o1)C1CC1 27370627 OCDOFMAUKBOQPV-UHFFFAOYSA-N 330.790 4.785 0 40 EJAB Cc1ccc(NCc2ccc(O)c(Br)c2)cc1Cl 57998011 AQAVJEIJDHPGHT-UHFFFAOYSA-N 326.621 4.729 0 40 EJAB CN(C)C(=O)c1ccc(CSC2=Nc3ccccc3CS2)cc1 69705443 ZSTRYWYJNISDMY-UHFFFAOYSA-N 342.489 4.556 0 40 EJAB CC1=C[C@@H](CN)[C@H](C(C)C)C[C@H]1Cc1nc2ccc(Cl)cc2[nH]1 72321033 WVLVKNMSSHASOM-DZKIICNBSA-N 331.891 4.572 0 40 EJAB biogenic,in-vitro CC[C@@H](C)C(=O)Nc1nc(-c2cccs2)c(-c2cc(C)no2)s1 72342651 PVPYRRCZWCMEQL-SECBINFHSA-N 347.465 4.820 0 40 EJAB CCc1ccc(O[C@@H](CC)C(=O)N[C@@H](C)c2ccc(CC)cc2)cc1 78458522 JTXBHIWRYBYLAX-KKSFZXQISA-N 339.479 4.846 0 40 EJAB O=C(N(Cc1ccc(Cl)cc1)C1CC1)C1(c2ccccc2)CC1 89827682 QRPSDVNNXPNTBU-UHFFFAOYSA-N 325.839 4.563 0 40 EJAB O=C(CSC1CCCC1)N(Cc1ccsc1)Cc1ccco1 96025724 ZAIHBIBKRLLBBG-UHFFFAOYSA-N 335.494 4.546 0 40 EJAB CC1=C(O)[C@@H]2C=CC=C[C@H]2[C@](O)(c2ccccc2)[C@@H]1c1ccccc1 104252655 ZCHJZBGEFBTBLF-CUDBPUKSSA-N 330.427 4.862 0 40 EJAB CC[C@H](NC(=O)CSc1ccc(C)cc1)c1ccc(OC)c(C)c1 222728272 CGOLVDTZIGYEIT-SFHVURJKSA-N 343.492 4.672 0 40 EJAB COc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1Cl 223000655 ZKOLMGTWYYHQOT-CYBMUJFWSA-N 343.854 4.718 0 40 EJAB CCN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 224694322 QEPREDIGNQPULI-UHFFFAOYSA-N 344.263 4.517 0 40 EJAB Cc1c(Cl)cccc1C[C@H](Oc1ccccc1C(C)C)C(=O)O 225071281 SGNIWQWACLQWSB-SFHVURJKSA-N 332.827 4.847 0 40 EJAB Cc1cccc(NC(=S)NCCCSCc2ccc(F)cc2)c1 225614036 WAJCUVSXGMEBLN-UHFFFAOYSA-N 348.512 4.744 0 40 EJAB CCCCOc1ccc(NC(=O)C2(OCCC)CCCC2)cc1C 225655562 IVENLCCAZOVMAT-UHFFFAOYSA-N 333.472 4.852 0 40 EJAB COc1cc(C)c(C(=O)NCCCc2cccc(C)c2)cc1C(C)C 225661401 MMQUQRCAMDOCCM-UHFFFAOYSA-N 339.479 4.798 0 40 EJAB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC)c(Cl)c1 225701757 WUVMMZYGZWICFE-QGZVFWFLSA-N 327.852 4.663 0 40 EJAB COc1ccc([C@@H](CC(C)C)NC(=O)Nc2cccc(OC)c2)cc1 225761671 NBTMLXCFNDOIMR-LJQANCHMSA-N 342.439 4.613 0 40 EJAB COc1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@@H]3[C@H]4CC[C@@H](C4)[C@H]23)cc1 408999720 XKZYGLWEMZHIPP-UAADMILHSA-N 349.430 4.690 0 40 EJAB O=C(CCSc1ccccc1)NCc1ccc(-c2cccs2)o1 585367944 ZINXPFVZODKRKT-UHFFFAOYSA-N 343.473 4.807 0 40 EJAB CC1(C)[C@@H]2C=C(CCOC(=O)NC(=O)c3ccc(Cl)cc3)C[C@H]1C2 103624 ACUJRDRFVKBRIY-CABCVRRESA-N 347.842 4.589 0 40 EJAB COc1ccc(NC(=O)[C@H](C)c2ccc(CC(C)C)cc2)c(OC)c1 4666397 BDVVLBJFYMRCKC-OAHLLOKOSA-N 341.451 4.645 0 40 EJAB CCCN1C(=O)S/C(=C\c2cc(C)n(-c3ccccc3)c2C)C1=O 6629500 KAHGSBMGJWSZON-ATVHPVEESA-N 340.448 4.540 0 40 EJAB Cc1csc(N(C(=O)/C=C/c2csc(C)n2)c2ccccc2)n1 10642623 LVLXAIHPLDNVAO-CMDGGOBGSA-N 341.461 4.595 0 40 EJAB CCCCOc1ccccc1C(=O)Nc1nc2c(s1)C[C@@H](C)CC2 11917359 NVKRFQYGRJYTMF-ZDUSSCGKSA-N 344.480 4.699 0 40 EJAB Cc1nc2cc(F)ccc2cc1C(=O)N[C@H](C)c1cc2ccccc2o1 12923842 UPQKMHSHGXKKNQ-CYBMUJFWSA-N 348.377 4.920 0 40 EJAB Cc1ccc(C)c([C@@H](C)NC(=O)COc2ccccc2C(C)C)c1 14573404 YXHKDRNZZJMFGE-QGZVFWFLSA-N 325.452 4.683 0 40 EJAB COc1ccc(S[C@@H](C)C(=O)Nc2cccc(Cl)c2C)cc1 18543848 UZASTYZMRNGYFB-LBPRGKRZSA-N 335.856 4.776 0 40 EJAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc3oc(C)nc3c2)c1 21831336 KORJYKHSDDGBED-UHFFFAOYSA-N 338.407 4.586 0 40 EJAB O=C(c1ccccc1Cl)N1CCC[C@H](c2nc3ccccc3o2)C1 27386535 ISFICYOBVGTXKJ-ZDUSSCGKSA-N 340.810 4.501 0 40 EJAB CC(C)(C)CC(=O)Nc1ccc(OCc2cccnc2)c(Cl)c1 31470918 BMZPKRKBHGVPOD-UHFFFAOYSA-N 332.831 4.689 0 40 EJAB CC1(C)C[C@@H](NCC[C@@](C)(c2ccc(Cl)cc2)C2CC2)CCO1 32072509 AEIBINHEKNGXPF-AZUAARDMSA-N 335.919 4.945 0 40 EJAB C[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1C)c1cccc(C(F)(F)F)c1 32863180 KINRCRIESHKJAH-SLEUVZQESA-N 328.378 4.644 0 40 EJAB Cc1nc(C)c(C(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)s1 32978382 FWRLPFVIEXYFBL-ZDUSSCGKSA-N 336.460 4.918 0 40 EJAB C[C@H](NC(=O)Nc1ccc(OC(F)F)c(Cl)c1)c1cccs1 40023908 YLYKURXIVOXKOM-QMMMGPOBSA-N 346.786 4.886 0 40 EJAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(C)c(C)c1)c1ccc(C)cc1 59351754 AKAWAWUHLUATMB-YLJYHZDGSA-N 325.452 4.647 0 40 EJAB CCCNc1nnc(SCc2cccc(C(F)(F)F)c2)s1 61153426 BMLGGHBSBRSSKJ-UHFFFAOYSA-N 333.404 4.671 0 40 EJAB CSc1nnc(SCc2nc(-c3ccsc3)oc2C)s1 69419139 GMGRRJOGYFPYND-UHFFFAOYSA-N 341.508 4.577 0 40 EJAB OC1=Nc2c(cnn2C2CCCC2)[C@H](c2ccc(F)c(F)c2F)C1 71279230 NAANPXLBKCMAMF-NSHDSACASA-N 335.329 4.539 0 40 EJAB CCSc1ccc([C@H]2CCCCN2C(=O)c2ccccc2)cn1 72217158 SILMAZYKEQOZNX-QGZVFWFLSA-N 326.465 4.561 0 40 EJAB Cc1cccc(CN(Cc2ccccn2)Cc2ncc(C(C)(C)C)o2)c1 72308334 WDECNENQYROBQS-UHFFFAOYSA-N 349.478 4.878 0 40 EJAB CCOC(=O)c1c(C)n(CC)c2ccc(OCc3ccccc3)cc12 197842696 SFQHPHAHAKCPKD-UHFFFAOYSA-N 337.419 4.725 0 40 EJAB Cc1cccc(O[C@H](C)C(=O)NCc2ccc3ccccc3c2)c1C 222795398 IZUZBBZVHDQKOR-QGZVFWFLSA-N 333.431 4.540 0 40 EJAB CCCCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OCC)cc1C 225689968 QDKKWQHVVKTYNC-HXUWFJFHSA-N 335.488 4.954 0 40 EJAB CCC[C@](C)(OC)C(=O)Nc1ccc(OC(C)C)c2ccccc12 225797763 IRFDIQGNCGEQPL-FQEVSTJZSA-N 329.440 4.771 0 40 EJAB C[C@@H](O)c1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1 226272906 LPQVGLFGBZGLBT-MRXNPFEDSA-N 331.415 4.511 0 40 EJAB O=C(COC(=O)c1cc(Cl)cc(Cl)c1)c1ccc(Cl)cc1 408600797 GFICOBGOIDGSPD-UHFFFAOYSA-N 343.593 4.687 0 40 EJAB O=C(c1ccc(C(F)(F)F)c(Cl)c1)C(F)(F)Br 575360521 JCUCICHZQCDACH-UHFFFAOYSA-N 337.469 4.529 0 40 EJAB O=C(NCc1cccc2ccccc12)c1ccc(Br)cc1 36030 PURZNFOHWXVLRC-UHFFFAOYSA-N 340.220 4.532 0 40 EJAB CCCCCNc1nc2c(-c3cccc(C)c3)nnn2c2ccccc12 2694160 MRXKNJKTHKZGJR-UHFFFAOYSA-N 345.450 4.855 0 40 EJAB Cc1cccc(Nc2nnc(SCC(=O)c3cccs3)s2)c1 3222370 QARSNFHGGFGZEM-UHFFFAOYSA-N 347.490 4.627 0 40 EJAB Cc1ccc(NC(=O)NOCc2ccccc2Cl)cc1Cl 4290494 GBTWMAYKPDBMFD-UHFFFAOYSA-N 325.195 4.555 0 40 EJAB CCN1C(c2ccccc2)=NN=C(c2ccccc2)c2ccccc21 4618863 BPSOEBRXGWACTP-UHFFFAOYSA-N 325.415 4.726 0 40 EJAB O=C(CCNc1cccc(Br)c1)c1cc2ccccc2o1 4622466 LPTVYKBATYMWCO-UHFFFAOYSA-N 344.208 4.880 0 40 EJAB Clc1ccc(OCCn2c(-c3ccccn3)nc3ccccc32)cc1 4663342 MNFPPZOQWWFSRW-UHFFFAOYSA-N 349.821 4.831 0 40 EJAB C[C@H]1CCCC[C@@H]1NC(=O)c1ncoc1-c1ccc2ccccc2c1 5002077 DQZCOJYXHSVPFF-KSSFIOAISA-N 334.419 4.803 0 40 EJAB CC(C)/N=C1\S/C(=C/c2ccc(C(C)C)cc2)C(=O)N1C(C)C 6346298 GLMPGFWITHRADH-KRICTJEJSA-N 330.497 4.899 0 40 EJAB COc1ccccc1Nc1nc(-c2ccc(NC(C)=O)cc2)cs1 6367272 AEKVRBXXXBBXAR-UHFFFAOYSA-N 339.420 4.521 0 40 EJAB Cc1ccc(-c2csc(NC(=O)c3cc(F)cc(F)c3)n2)cc1C 6508951 CFTHDSLKAYEGJU-UHFFFAOYSA-N 344.386 4.957 0 40 EJAB Cc1ccccc1-n1c(=S)[nH]c2sc3c(c2c1=O)CC[C@@H](C)C3 6537228 IPEMNOUKZICRTA-SNVBAGLBSA-N 342.489 4.543 0 40 EJAB O=C(NC1CCCCCC1)c1c(-n2cccc2)sc2c1CCCC2 6601070 ZGXHTCFHSOAETJ-UHFFFAOYSA-N 342.508 4.870 0 40 EJAB C[C@@H](NC(=O)N[C@H](c1ccc(Cl)cc1)C1CC1)c1ccc(F)cc1 9758008 TXICMUBBFALAJD-XIKOKIGWSA-N 346.833 4.991 0 40 EJAB CCC[C@@H](O)c1nc2ccccc2n1CCOc1ccc(CC)cc1 11692496 HXUFBTANPMZPGG-HXUWFJFHSA-N 338.451 4.511 0 40 EJAB O=C(COc1ccc(Cl)cc1)NC1CCC(c2ccccc2)CC1 12376161 DETZZHYPAUKMTG-UHFFFAOYSA-N 343.854 4.561 0 40 EJAB O=C(Nc1nc2c(ccc3ccccc32)s1)c1ccnc(Cl)c1 12793717 AJWPTFKQHVZVNO-UHFFFAOYSA-N 339.807 4.750 0 40 EJAB CCc1ccc([C@H](NC(=O)c2cccc(OC(F)F)c2)C(C)C)cc1 12807278 IQYLVVWMGSBUAJ-GOSISDBHSA-N 347.405 4.978 0 40 EJAB COc1ccc(C(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)cc1F 18699994 OPIUQVKGNVVCKS-OAQYLSRUSA-N 349.405 4.662 0 40 EJAB O=C(COc1ccc(F)cc1)Nc1cc(Cl)c(Cl)cc1Cl 19935052 NZWMXMPADOPNKF-UHFFFAOYSA-N 348.588 4.803 0 40 EJAB CC(C)c1cccc(NC(=O)CSc2ncnc3ccsc23)c1 22069205 HJIYCWFBVMFRLO-UHFFFAOYSA-N 343.477 4.546 0 40 EJAB CCCCC(=O)N(C)[C@H](c1cccs1)c1c[nH]c2ccccc12 27989128 SAKMLKYCBRFUIT-IBGZPJMESA-N 326.465 4.967 0 40 EJAB C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1cc(C2CC2)on1 30316514 SHOAYVMXWVJLTO-SECBINFHSA-N 339.222 4.692 0 40 EJAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCSC1CCCCC1 30756305 MJIAAVKOKPQEIL-GOSISDBHSA-N 349.540 4.643 0 40 EJAB CC[C@H](NC(=O)[C@H](C)Oc1ccc2ccccc2c1)c1ccccc1 30866639 FMZUSEZJDHCITG-KKSFZXQISA-N 333.431 4.875 0 40 EJAB Cc1ccc(CNCc2cn(-c3ccccc3)nc2-c2ccccc2)o1 32740433 FTLSQZGNONZUMH-UHFFFAOYSA-N 343.430 4.731 0 40 EJAB CN(Cc1ccccc1NC(=O)Cc1cccs1)C1CCCCC1 36664648 WGANIQMKFKJKSQ-UHFFFAOYSA-N 342.508 4.694 0 40 EJAB O=C(Nc1ccc2ccccc2c1)C1CCN(Cc2ccccc2)CC1 39772448 NNFGCUPLSNGREB-UHFFFAOYSA-N 344.458 4.691 0 40 EJAB CC(C)(C)c1ccc(OCC[C@@H]2CCCNC2)c(Br)c1 42770550 WTZRUXPOGWNLML-ZDUSSCGKSA-N 340.305 4.515 0 40 EJAB c1ccc(N2N=C(c3ccc4c(c3)OCO4)C[C@H]2c2cccs2)cc1 59203707 XXACOZPEPDKFDE-KRWDZBQOSA-N 348.427 4.833 0 40 EJAB O=C(Nc1ccccc1Cl)N1CCC(OCc2ccccc2)CC1 65496283 ZHAUCJBAUVABCY-UHFFFAOYSA-N 344.842 4.553 0 40 EJAB Cc1nc(-c2ccccc2)ccc1C(=O)N(C)[C@H]1CCc2ccccc21 70039074 VZXLQQHHZSCRBF-QFIPXVFZSA-N 342.442 4.817 0 40 EJAB CN1[C@@H]2CC[C@@H]1CC(OC1c3ccccc3CCc3ccccc31)C2 100092115 ZWPODSUQWXAZNC-RTBURBONSA-N 333.475 4.516 0 40 EJAB in-man Cc1cc(-c2nc3cc(Br)cc(Cl)c3[nH]2)ccc1N 216917247 XXRXAUYDFWMRGS-UHFFFAOYSA-N 336.620 4.536 0 40 EJAB CC[C@@H](Oc1ccccc1F)C(=O)N[C@H](CC)c1ccc(C)cc1C 219582579 SSBZCLWTTJLGGP-RTBURBONSA-N 343.442 4.867 0 40 EJAB COc1ccc(NC(=S)NCCCc2ccc(C(C)C)cc2)cc1 225806287 NTHIZGNCPDVZDE-UHFFFAOYSA-N 342.508 4.738 0 40 EJAB CSc1cccc(C(=O)N2CCCC[C@H]2CSC(C)(C)C)c1 390832494 ZSAVPDPFEQULRN-HNNXBMFYSA-N 337.554 4.935 0 40 EJAB CN(C)c1ccc(NC(=O)c2c(Cl)ccc(Cl)c2Cl)cc1 118376 NWJULOIIOHCHGE-UHFFFAOYSA-N 343.641 4.965 0 40 EJAB CC1(C)[C@]2(C(=O)Nc3c(Cl)cccc3Cl)CC[C@@]1(C)C(=O)C2 310349 SIJRAWONRGAXTG-DLBZAZTESA-N 340.250 4.717 0 40 EJAB Cc1cccc(C(=O)Nc2ccc(NC(=O)c3cccc(C)c3)cc2)c1 348216 ZCQHMVYFJYAHFO-UHFFFAOYSA-N 344.414 4.808 0 40 EJAB Cc1cc(Cl)ccc1OCC(=O)OCCC1=CC[C@@H]2C[C@H]1C2(C)C 1699942 DUFSSFCFZDQJII-NVXWUHKLSA-N 348.870 4.953 0 40 EJAB CCCCCCC(=O)Oc1ccc2c(C(F)(F)F)cc(=O)oc2c1 2570013 ZQVOMJBZDNKNSJ-UHFFFAOYSA-N 342.313 4.688 0 40 EJAB CC1CCN(C(=O)c2cc3sccc3n2Cc2ccccc2)CC1 4970871 MKZKNLLRWCXHKX-UHFFFAOYSA-N 338.476 4.623 0 40 EJAB Clc1ccc2[nH]c3c(NCCCc4ccccc4)ncnc3c2c1 5151655 QIQMAPMYQHBMAX-UHFFFAOYSA-N 336.826 4.809 0 40 EJAB C=CC(=O)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1 5480553 QLWGOOITNIDNOY-HUPNOZJPSA-N 342.442 4.996 0 40 EJAB O=C1c2ccccc2N[C@H](c2ccc(Cl)cc2)N1Cc1ccco1 5595478 YVRGMNRZNNLIFI-SFHVURJKSA-N 338.794 4.700 0 40 EJAB O=C(Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1)c1ccco1 5892783 JTRAJRFMIGDONR-UHFFFAOYSA-N 338.750 4.994 0 40 EJAB CCOc1ccc2nc(NC(=O)C[C@H](C)c3ccccc3)sc2c1 6270930 XOJQLESWPARLEP-ZDUSSCGKSA-N 340.448 4.827 0 40 EJAB Cc1c(NC(=O)c2ccco2)cccc1-c1nc2cccnc2s1 6549795 ZAAGVDGQCYWXBF-UHFFFAOYSA-N 335.388 4.512 0 40 EJAB C[C@H](Sc1nc2ccccc2[nH]1)c1nnc(-c2cccs2)o1 6649683 RPMFAUHYNVHVKT-VIFPVBQESA-N 328.422 4.528 0 40 EJAB O=C(c1ccccc1)c1ccc(C(=O)N2CCC[C@@H]3CCCC[C@H]32)cc1 7987581 PNCBTMDKRHJDFL-LAUBAEHRSA-N 347.458 4.712 0 40 EJAB O=C(Nc1cccc(-c2nc(-c3cccc(F)c3)cs2)c1)C1CC1 8042099 VUAHDJBQYKPENX-UHFFFAOYSA-N 338.407 4.965 0 40 EJAB CCC(=O)N([C@H]1CCOC(C)(C)C1)[C@H](c1ccc(OC)cc1)C(C)C 9049213 KHZRESOVCBXIDW-PXNSSMCTSA-N 347.499 4.589 0 40 EJAB COc1ccc(C)cc1NC(=O)CNc1ccccc1-c1ccccc1 11618625 QQNLNANSQNPHSV-UHFFFAOYSA-N 346.430 4.721 0 40 EJAB Cc1cc2nc(-c3cc(NC(=O)C(C)C)cc(C)c3O)oc2cc1C 12408631 FAVUFDDCFXQUOR-UHFFFAOYSA-N 338.407 4.720 0 40 EJAB CCCn1nc(NC(=O)c2ccc(C)cc2)c2cc3ccccc3nc21 17248851 GHINRVLOLYAFMG-UHFFFAOYSA-N 344.418 4.555 0 40 EJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N1c2ccccc2C[C@@H]1C 20042030 FAXCCAMVSWEAFN-HRAATJIYSA-N 345.442 4.975 0 40 EJAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2cccc(OC(C)C)c2)c1 20104428 ZEHLUEJFPFVLAW-KRWDZBQOSA-N 341.451 4.805 0 40 EJAB O=C(c1c[nH]c2ccccc12)[C@H](NCc1ccccc1)c1ccccc1 23881845 ZLEJVXCNWPKJSV-JOCHJYFZSA-N 340.426 4.882 0 40 EJAB CC[C@@H](Oc1ccccc1C)C(=O)NCCc1ccc(C(C)C)cc1 30752583 YZUJWJQQKOYOKD-HXUWFJFHSA-N 339.479 4.635 0 40 EJAB CCCC(=O)c1cn(CC(=O)Nc2ccc(C)cc2)c2ccccc12 33648004 ZZADZLITGNVYIM-UHFFFAOYSA-N 334.419 4.571 0 40 EJAB OC1=Nc2c(ncn2-c2ccc(F)c(Cl)c2)[C@@H](c2cccs2)C1 36357726 SXLLTHLQLNHGNM-SNVBAGLBSA-N 347.802 4.850 0 40 EJAB CC(C)c1ccccc1O[C@H](C)C(=O)NCc1ccc(Cl)cc1 38754320 NIEQZQPCBQESFC-CQSZACIVSA-N 331.843 4.547 0 40 EJAB COC(=O)Cc1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1 41127608 RZQOAUBFUYVCMD-UHFFFAOYSA-N 336.174 4.517 0 40 EJAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)N[C@@H](C)CCc2ccccc2)c1 44901631 VGMRHXLPVHXGQT-HKUYNNGSSA-N 339.479 4.517 0 40 EJAB COc1ccc([C@H](CC(C)C)NC(=O)c2ccccc2SC)cc1 44950136 CTESHGRFUCTKMU-SFHVURJKSA-N 343.492 4.934 0 40 EJAB COC(=O)c1ccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1 69419058 JLQZGNQEKHVTEQ-UHFFFAOYSA-N 345.354 4.625 0 40 EJAB Cc1cc(NC(=O)[C@H]2C[C@@H]2c2ccco2)ccc1Oc1cccnc1 84093754 ANDYBGMUYRVSHD-IRXDYDNUSA-N 334.375 4.518 0 40 EJAB COc1cc(Cl)cc2c(Cl)c(Br)c(Cl)nc12 95098212 YLIRFPBPPKRBMC-UHFFFAOYSA-N 341.419 4.966 0 40 EJAB O=C(Oc1cccc(Oc2cccnc2)c1)[C@@H]1C[C@H]1c1ccc(F)cc1 95456218 GNTSXVPOIINLJO-VQTJNVASSA-N 349.361 4.722 0 40 EJAB Cc1nc2n(n1)[C@H](c1ccccc1)C=C(c1ccc3ccccc3c1)N2 101386533 OVZNPZYQOZWUJU-NRFANRHFSA-N 338.414 4.796 0 40 EJAB CCc1c(Cl)nc(-c2ccc(Br)cc2)nc1Cl 113198635 WVBCINCCKZMNOI-UHFFFAOYSA-N 332.028 4.775 0 40 EJAB CCc1ccc(O[C@@H](CC)C(=O)Nc2ccccc2SC)cc1 113969576 UXUZYLHCVSJKQZ-KRWDZBQOSA-N 329.465 4.767 0 40 EJAB CC(C)Oc1ccc(CCCNC(=O)Nc2cccc(Cl)c2)cc1 222630134 SFFZBHDFGBQGOE-UHFFFAOYSA-N 346.858 4.882 0 40 EJAB C[C@H](CNC(=O)/C(=C/c1ccco1)c1ccccc1)c1ccccc1 223430145 KNCFHUSMSCOPNT-WNSCPLKPSA-N 331.415 4.740 0 40 EJAB CC[C@@H](C(=O)O)N(CC)c1cc(Cl)ccc1Oc1ccccc1 225005284 POVJXPNLECZJJZ-HNNXBMFYSA-N 333.815 4.822 0 40 EJAB O=C(NCc1cccnc1-c1ccco1)c1ccc(Cl)cc1Cl 225661511 PFQCWFRSHPJIGX-UHFFFAOYSA-N 347.201 4.578 0 40 EJAB CCc1ccc(CC(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)cc1 225883752 YNSFFYOATCOHAM-LJQANCHMSA-N 337.463 4.519 0 40 EJAB O=C(O)c1cccc2c1N[C@H](c1ccc(F)cc1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]21 245228012 XRZXZBRJZSEQSF-WIOUJZMWSA-N 337.394 4.820 0 40 EJAB C[C@H](C(=O)Nc1cccc(F)c1Cl)c1cn(C)c2ccccc12 561852011 UOVNJIIKISTHNU-NSHDSACASA-N 330.790 4.713 0 40 EJAB C/C(=C\c1coc(-c2ccccc2)n1)c1nc(O)c2ccsc2n1 566930548 OQJURAHZTGODHJ-PKNBQFBNSA-N 335.388 4.612 0 40 EJAB COc1ccc(-c2nnc([C@@H]3C[C@H]3c3cccc(Cl)c3)o2)cc1 1117186509 HCRYKBIETMYOPZ-JKSUJKDBSA-N 326.783 4.670 0 40 EJAB CCc1c(C(=O)c2ccccc2)oc2ccc3c(C)cc(=O)oc3c12 34946 QSXNPELUBASDGF-UHFFFAOYSA-N 332.355 4.641 0 40 EJAB biogenic Cc1nn(C(=O)[C@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)c(C)c1Cl 356021 TYANIFRHPYEYTJ-CVEARBPZSA-N 330.859 4.895 0 40 EJAB CCOc1cccc(C(=O)Nc2nc3c(Cl)cccc3s2)c1 558564 HTZYSXGCCPCFMH-UHFFFAOYSA-N 332.812 4.601 0 40 EJAB Cc1cc(Cl)ccc1OCC(=O)OCCC1=CC[C@H]2C[C@@H]1C2(C)C 1699943 DUFSSFCFZDQJII-RDJZCZTQSA-N 348.870 4.953 0 40 EJAB Cc1ccc(S[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)cc1C 2641302 SVQZOIFGMATRHM-HZPDHXFCSA-N 325.477 4.762 0 40 EJAB COc1ccc(C(C)(C)C)cc1NC(=O)Cc1c(F)cccc1Cl 3294122 KBWROIGAGBIKQE-UHFFFAOYSA-N 349.833 4.966 0 40 EJAB CC(C)(C)C(=O)Nc1c(C(=O)Nc2ccccc2)oc2ccccc12 4148153 LRHBNDREJPFSTL-UHFFFAOYSA-N 336.391 4.670 0 40 EJAB CCCCCNC(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc12 4589791 OVGOZKIGWPZULS-UHFFFAOYSA-N 348.446 4.830 0 40 EJAB CCCCC(=O)N(C)c1nnc(-c2ccc(C(C)(C)C)cc2)s1 4880653 YNEZMPYDMGYNDG-UHFFFAOYSA-N 331.485 4.656 0 40 EJAB C[C@H]1CCCN(c2ncnc3c(-c4ccc(Cl)cc4)nsc23)C1 4894998 FJSBNNGOMZNXIF-NSHDSACASA-N 344.871 4.643 0 40 EJAB O=C(COc1ccccc1F)Nc1ccc(Oc2ccccc2)cc1 5105119 MFIQTELAYOCQTG-UHFFFAOYSA-N 337.350 4.636 0 40 EJAB Fc1ccccc1CNC(=S)Nc1ccc(Cl)cc1Cl 6926907 IGQGAVCJVSGUMG-UHFFFAOYSA-N 329.227 4.619 0 40 EJAB Cc1ccc(NC(=O)COc2ccc(Cl)c3cccnc23)c(C)c1 7612381 WIWNGFOJYAWSTB-UHFFFAOYSA-N 340.810 4.523 0 40 EJAB CC(C)[C@H](NC(=O)c1ccc(Br)cc1)c1cccs1 7924972 LWAVHCACZDRBDO-AWEZNQCLSA-N 338.270 4.638 0 40 EJAB O=C(c1ccsc1)N1CCc2sccc2[C@@H]1c1cccs1 7948178 GHHGSEFHIDUQRG-OAHLLOKOSA-N 331.487 4.659 0 40 EJAB Cc1ccc(CN(C)C(=O)CCCOc2ccc(Cl)cc2C)cc1 13096767 BIFLXIYGOBDVGY-UHFFFAOYSA-N 345.870 4.774 0 40 EJAB O=C(O)c1ccc(OCc2ccccc2)cc1OCc1ccccc1 13481435 YKKQJZWEQXEZAQ-UHFFFAOYSA-N 334.371 4.543 0 40 EJAB CCOc1ccccc1NC(=S)Nc1ccc(C(F)(F)F)cc1 13747966 QGNCZVGFJLZRPD-UHFFFAOYSA-N 340.370 4.913 0 40 EJAB Cc1nc(-c2ccc(CNC(=O)Nc3ccc(F)cc3)cc2)cs1 14016522 ZRXGZCISJOBSCF-UHFFFAOYSA-N 341.411 4.579 0 40 EJAB CC[C@@H](NC(=S)Nc1ccccc1Cl)c1ccc(OC)cc1 20624998 LNPLRDXAVZOPRU-OAHLLOKOSA-N 334.872 4.786 0 40 EJAB COc1ccc(CN[C@@H](C)c2ccc(Cl)cc2Cl)cc1O 21046601 KOPGMWJVWGYRNR-JTQLQIEISA-N 326.223 4.558 0 40 EJAB Cc1ccccc1NC(=O)[C@H](C)Sc1ccc(C(F)(F)F)cn1 21637966 PHELVXSPRLJCEE-NSHDSACASA-N 340.370 4.528 0 40 EJAB Cc1ccccc1-c1noc(CNc2ccccc2N2CCCCC2)n1 23004021 CNYFIIXZKJWBNM-UHFFFAOYSA-N 348.450 4.647 0 40 EJAB Cc1ccc(-c2noc(-c3ccc(NC(=O)C(C)(C)C)cc3)n2)cc1 46018729 ZGDJMPFQGVQNJO-UHFFFAOYSA-N 335.407 4.697 0 40 EJAB Cc1nc(Cl)cc(NCCc2nc(-c3ccccc3)c(C)s2)n1 75109743 WLRVFNSSSUZCTO-UHFFFAOYSA-N 344.871 4.525 0 40 EJAB C[C@H](NCc1coc(-c2cccs2)n1)c1cnc2ccsc2c1 95420929 CAEGJCPLOIBMCG-NSHDSACASA-N 341.461 4.864 0 40 EJAB Cc1ccccc1C(=O)N1CCS[C@@H](c2ccccc2Cl)CC1 208045823 RVPCMWYNTHDZDO-GOSISDBHSA-N 345.895 4.969 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)CSCc2cc(C)cc(C)c2)cc1 216372282 BFXXHUYLNRDZRU-QGZVFWFLSA-N 327.493 4.722 0 40 EJAB CC[C@@H](NC(=O)COc1ccccc1C)c1ccc2c(c1)CCCC2 223011111 XWJZLTCRQQJILU-HXUWFJFHSA-N 337.463 4.520 0 40 EJAB CCNC(=O)c1ccc(OCC)c(COc2cccc3ccccc23)c1 224627720 PWPOIUZNCALWIA-UHFFFAOYSA-N 349.430 4.567 0 40 EJAB CCNC(=O)c1cc(N)ccc1Nc1ccc(Oc2ccccc2)cc1 225480310 QYDCEWRFSKTLEQ-UHFFFAOYSA-N 347.418 4.554 0 40 EJAB Cc1ccccc1[C@H](C)NC(=S)Nc1ccc(OC(C)C)cc1 225754549 UZTBJQDRRVTKIF-HNNXBMFYSA-N 328.481 4.830 0 40 EJAB CCOc1ccc(C(=O)N[C@H](CC)c2ccc(C)cc2)cc1Cl 225772064 QVVDEDIDKTVXGJ-QGZVFWFLSA-N 331.843 4.928 0 40 EJAB O=C(COCc1ccccc1)c1ccc(Cl)c(C(F)(F)F)c1 394731441 QLPSQNKDZZPYBI-UHFFFAOYSA-N 328.717 4.758 0 40 EJAB CC(=O)/N=c1\sc(-c2ccccc2)c(-c2ccc(Cl)cc2)n1C 409194790 MJBBIZTZTIXGNR-ZZEZOPTASA-N 342.851 4.521 0 40 EJAB C[C@H](C(=O)Nc1nc2ccccc2[nH]1)c1c(Cl)cccc1Cl 624800402 VCXWMMYISFSEPQ-VIFPVBQESA-N 334.206 4.612 0 40 EJAB S=c1[nH]nc(SCc2ccc(Cl)c(Cl)c2)c2nc[nH]c12 1692111 HXHKTMFOHJKQAN-UHFFFAOYSA-N 343.264 4.615 0 40 EJAB CCCCCOc1cccc(OCC(=O)Nc2ccccc2Cl)c1 2082496 NRGSOGWPLXELLU-UHFFFAOYSA-N 347.842 4.927 0 40 EJAB C[C@H](OC(=O)c1c(F)cccc1F)C(=O)c1ccc(C(C)(C)C)cc1 2651149 PCFMXSUNKLDEJV-LBPRGKRZSA-N 346.373 4.691 0 40 EJAB CN(C(=O)c1cnc(Cl)c2ccccc12)c1ccc(Cl)cc1 3041687 CTBNBVYVEIHCTD-UHFFFAOYSA-N 331.202 4.818 0 40 EJAB O=C(Nc1cccc2ccccc12)c1ccc(Br)s1 3164179 WMMMLAXOBPOJRB-UHFFFAOYSA-N 332.222 4.916 0 40 EJAB COc1ccc(NC(=O)CSc2cc(C)ccc2C)cc1Cl 3235942 XFGFSERYBSDBAB-UHFFFAOYSA-N 335.856 4.696 0 40 EJAB CCCCCC[C@H](C)NC(=O)C(C)(C)Oc1ccc(Cl)cc1 4472875 QYZBQHHHFJIRQH-AWEZNQCLSA-N 325.880 4.973 0 40 EJAB O=C(Nc1ccccc1Br)c1ccc(C(F)(F)F)cc1 6338537 NLBBFOBACIUAMA-UHFFFAOYSA-N 344.130 4.720 0 40 EJAB O=C(CCCSc1ccccc1)Nc1nc2ccc(F)cc2s1 6790414 ADZDKDIOXCGJEM-UHFFFAOYSA-N 346.452 4.946 0 40 EJAB CC(C)Nc1nnc(SCCCOc2ccc(Cl)cc2)s1 8852294 XQTSCXNPNJMYBP-UHFFFAOYSA-N 343.905 4.573 0 40 EJAB CCCCC(=O)Nc1ccc(O)c(-c2nc3cc(C)cc(C)c3o2)c1 9306157 TVFQPXSGFDYURU-UHFFFAOYSA-N 338.407 4.946 0 40 EJAB Cc1cccc(NC(=O)NC[C@@H](c2cccc3ccccc23)N(C)C)c1 10330492 XFKBSQSMIOIFRE-NRFANRHFSA-N 347.462 4.573 0 40 EJAB Cc1cc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)on1 12870055 GVNDOBPVEQBYAB-UHFFFAOYSA-N 335.388 4.512 0 40 EJAB Cc1nc2cc(NC(=O)c3csc(-c4ccsc4)n3)ccc2o1 12873552 RCWIBRMENKLSOL-UHFFFAOYSA-N 341.417 4.574 0 40 EJAB CC[C@H](NCc1nc(-c2cccs2)no1)c1ccc(Cl)cc1 12876340 MMGDBNQCXNYFHT-ZDUSSCGKSA-N 333.844 4.692 0 40 EJAB COc1ccc2c(c1)CC[C@@H]1C2=C(C#N)C(=N)C[C@H]1c1ccccc1 13409331 FRLKPJJHNIIODF-OALUTQOASA-N 328.415 4.742 0 40 EJAB biogenic c1ccc(/N=c2/nc(-c3ccccc3)n(-c3ccccc3)s2)cc1 13609549 MWKGMZRDURKJEZ-MRCUWXFGSA-N 329.428 4.833 0 40 EJAB Cc1ccc2cccc(NC(=O)COc3ccc(C(C)C)cc3)c2n1 15835288 UBTQQIBAPKBKGY-UHFFFAOYSA-N 334.419 4.684 0 40 EJAB Cc1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)sc1C(=O)O 20156548 BDXQDOLFENRZOA-UHFFFAOYSA-N 336.722 4.566 0 40 EJAB CCc1ccc(OCC(=O)N[C@H](CC(C)C)c2ccccc2)cc1 20452339 HVYUGFDNJHGKJG-HXUWFJFHSA-N 325.452 4.531 0 40 EJAB O=C(NC1CCCCC1)c1cccnc1Nc1cccc(Cl)c1 22072948 QNSKESBEUWLXOI-UHFFFAOYSA-N 329.831 4.541 0 40 EJAB O=C(c1cc(F)ccc1Br)N1CCC[C@@H]1c1ccccc1 22328706 NYHCHQWVTRPGSV-MRXNPFEDSA-N 348.215 4.566 0 40 EJAB C[C@@H](NC(=O)c1cccnc1Cl)c1ccc(-c2ccccc2)cc1 29097255 PVCKQBHSCLUICL-CQSZACIVSA-N 336.822 4.893 0 40 EJAB c1ccc(C(NCc2nc(-c3ccsc3)no2)c2ccccc2)cc1 29975015 OMHSBKUAEQLQKK-UHFFFAOYSA-N 347.443 4.677 0 40 EJAB Cc1cccc(NC(=O)c2cc3ccccc3n2Cc2ccccc2)n1 34620859 LHYXEZARUASGKU-UHFFFAOYSA-N 341.414 4.645 0 40 EJAB CCOc1ccccc1NC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1 40913192 LRAPXBJKBWDPFG-CQSZACIVSA-N 347.842 4.762 0 40 EJAB Cc1cccc(C)c1NC(=O)N[C@@H](C)c1ccccc1Br 43358352 YXFFEVBMQYXOHN-ZDUSSCGKSA-N 347.256 4.949 0 40 EJAB C[C@H](c1ccco1)N(C(=O)c1csc(-c2ccccc2)n1)C1CC1 56183204 ISNPQCQXGUWGRE-CYBMUJFWSA-N 338.432 4.769 0 40 EJAB O=C(Nc1nccs1)N1CCC[C@H]1Cc1cccc2ccccc12 60973395 NOFXJURIKGCJLM-INIZCTEOSA-N 337.448 4.535 0 40 EJAB Cc1cc([C@H]2CCCN2C(=O)OCc2ccccc2)c[nH]c1=S 72218256 FSYAKJATUCHKKD-MRXNPFEDSA-N 328.437 4.526 0 40 EJAB COc1ccc([C@H](C)N[C@H](C)c2cccc(C)c2C)cc1NC(C)=O 95422537 IUMXWCJVOKGQAQ-JKSUJKDBSA-N 340.467 4.682 0 40 EJAB CC(C)(C)OC(=O)N1CCC[C@H]1c1ccc(Br)cc1F 95635168 QTHKVXCTSVSLEO-ZDUSSCGKSA-N 344.224 4.660 0 40 EJAB in-vitro CC[C@@H](C)[C@@H](CSC(F)(F)F)NC(=O)OCc1ccccc1 95918485 IAHBOUIYIJQXRM-DGCLKSJQSA-N 335.391 4.581 0 40 EJAB CC(C)n1cc([C@@H](C)N[C@@H](C)c2cccc(Br)c2)cn1 95962849 WEWNFUXQMYODCN-QWHCGFSZSA-N 336.277 4.638 0 40 EJAB COc1cccc2cc([C@H](C)NC[C@H](C)c3c(C)noc3C)oc12 95988120 IDCMKNZMXZBYAQ-RYUDHWBXSA-N 328.412 4.501 0 40 EJAB O=C(N[C@H]1CCCc2c1[nH]c1ccc(F)cc21)c1cccc2[nH]ccc12 96114801 YFGWXZBTYKGDAE-IBGZPJMESA-N 347.393 4.596 0 40 EJAB biogenic CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1OC 113950435 VPNPGZMODVLUQA-LJQANCHMSA-N 335.403 4.645 0 40 EJAB COc1ccc(C(=O)CCc2ccc(C(F)(F)F)cc2)cc1OC 139692126 DHTIHEOXYBULDK-UHFFFAOYSA-N 338.325 4.538 0 40 EJAB CCc1cccc(C)c1NC(=O)C1CCN(c2ccc(C)cc2)CC1 219855952 RTWIEUSABNOIKJ-UHFFFAOYSA-N 336.479 4.721 0 40 EJAB c1ccc([C@H](Cc2ccccn2)NCc2cccc3cccnc23)cc1 390834444 YWQCHSCMHQRJKR-QFIPXVFZSA-N 339.442 4.703 0 40 EJAB C[C@@H]1CC(=O)N(C)c2ccc(NCc3ccc(F)c(Cl)c3)cc21 623791592 PKMZAVQCQRVLQE-LLVKDONJSA-N 332.806 4.561 0 40 EJAB CC(=O)Nc1cc(NC(=O)CC(C2CCC2)C2CCC2)ccc1Cl 624626482 UWGPLIIUGYEMJP-UHFFFAOYSA-N 348.874 4.843 0 40 EJAB Cc1nc2ccc3nc(NC(=O)c4ccccc4C)sc3c2s1 188292 AWMWEIOPOYQQHG-UHFFFAOYSA-N 339.445 4.775 0 40 EJAB COc1ccc2sc(NC(=O)c3cccc4ccccc34)nc2c1 340257 FMWWRXWCIOMFLF-UHFFFAOYSA-N 334.400 4.710 0 40 EJAB Cc1sc2c(c1C)C(=O)N[C@@H](c1c(Cl)cccc1Cl)N2 535101 NENHSSRVWFCXKY-GFCCVEGCSA-N 327.236 4.526 0 40 EJAB c1ccc(-c2nc(NC[C@@H]3CCCO3)c3oc4ccccc4c3n2)cc1 537180 GDJJMSNTVHKFTH-HNNXBMFYSA-N 345.402 4.634 0 40 EJAB aggregator CCCCOC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 1886265 RIVQLUYJWUZVNV-UHFFFAOYSA-N 331.799 4.549 0 40 EJAB COC(=O)c1c(-c2ccc(C(C)C)cc2)csc1NC(=O)C1CC1 2762675 BBOJTVUVRAMXJQ-UHFFFAOYSA-N 343.448 4.674 0 40 EJAB Cc1ccc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)nc1 2773474 XLUOIOJIENJAHF-LJQANCHMSA-N 334.444 4.862 0 40 EJAB O=C(Cc1cccc2ccccc12)N1CCC(Cc2ccccc2)CC1 3200120 MFJCWNUGJMLYFW-UHFFFAOYSA-N 343.470 4.864 0 40 EJAB Cc1ccc(C(C)(C)C)cc1S(=O)(=O)NC1CCCCCCC1 3442524 JAPNHPIHOWIEPR-UHFFFAOYSA-N 337.529 4.684 0 40 EJAB CC[C@@H](O)c1nc2ccccc2n1Cc1c(Cl)cccc1Cl 4386174 IEIQOLXJXCSCEL-MRXNPFEDSA-N 335.234 4.835 0 40 EJAB CCc1ccc(-c2nc(S)c3c(n2)Oc2ccc(C)cc2C3)cc1 6006970 GOCCWOVWBFZWGS-UHFFFAOYSA-N 334.444 5.000 0 40 EJAB CN(C)c1ccc([C@@H]2CNC3(CCCC3)c3[nH]c4ccccc4c32)cc1 6831375 BLLNFIQAEYQQEA-IBGZPJMESA-N 345.490 4.738 0 40 EJAB CC1CCN(C(=S)c2ccccc2OCc2cccc(F)c2)CC1 7260660 RSFVCIMCSJUTLP-UHFFFAOYSA-N 343.467 4.812 0 40 EJAB CCOC(=O)c1oc2ccccc2c1CN(C)Cc1sccc1C 8132460 NFKAMERJXJNINY-UHFFFAOYSA-N 343.448 4.611 0 40 EJAB CC[C@H](O)c1nc2ccccc2n1CCCOc1ccc(Cl)cc1 8710295 UCVZFDNYNKJDMD-SFHVURJKSA-N 344.842 4.602 0 40 EJAB COc1ccc([C@@H](C)O)cc1CSc1nc2ccccc2s1 14163484 CGTNPLHASUAKMJ-LLVKDONJSA-N 331.462 4.651 0 40 EJAB CC[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccc(C)cc1 14219719 AKOGALAWYONYED-HXUWFJFHSA-N 339.460 4.578 0 40 EJAB COc1ccccc1NC(=S)N[C@H](C)c1ccc2ccccc2c1 16240626 GWSXSIKJCHVIJH-CQSZACIVSA-N 336.460 4.896 0 40 EJAB O=C(NC1CCCCC1)c1ccccc1C(=O)c1ccc(Cl)cc1 17173094 QSTAQKHMRCJSHJ-UHFFFAOYSA-N 341.838 4.634 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 20038261 JUCWGJVGBWPJJS-IAGOWNOFSA-N 339.479 4.937 0 40 EJAB Cc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1 20038741 DSPNBZOUSKFQEJ-IRXDYDNUSA-N 333.431 4.793 0 40 EJAB O=C(Nc1ccc(Cl)c(-c2nc3cnccc3o2)c1)c1ccccc1 20745061 GPSLKRCFLJUMDZ-UHFFFAOYSA-N 349.777 4.796 0 40 EJAB O=C(NCCc1ccc(Cl)cc1)C1(c2ccccc2)CCCC1 29108518 WNHJRSCGSPULRV-UHFFFAOYSA-N 327.855 4.511 0 40 EJAB CCOc1cc(C(=O)Nc2ccccc2CC)cc(Cl)c1OCC 33784806 HABDXTIAVXUBQQ-UHFFFAOYSA-N 347.842 4.952 0 40 EJAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N[C@@H]1CCc2ccccc21 65474404 ZEOJTQRXOLIDOR-QZTJIDSGSA-N 338.451 4.588 0 40 EJAB Cc1nc(NC2CCCCC2)sc1C(=O)NCCC1=CCCCC1 71326679 MTOPLXPABKQCDV-UHFFFAOYSA-N 347.528 4.816 0 40 EJAB CCN(CCC(F)(F)F)C(=O)Nc1cccc(-c2nccs2)c1 71857008 BLRGCLCQQPREMS-UHFFFAOYSA-N 343.374 4.616 0 40 EJAB Cc1ccc(Oc2ccc(C(=O)N3CCc4ccccc4C3)o2)cc1 72260103 CDXICRWMIBYQLT-UHFFFAOYSA-N 333.387 4.579 0 40 EJAB CCOC(=O)Nc1cccc(NC(=O)C(C)(C)c2cccs2)c1C 79357405 YIAJYHCVYAVEAR-UHFFFAOYSA-N 346.452 4.541 0 40 EJAB Cc1nnc(-c2ccc(Br)cc2)n1-c1ccc(Cl)cc1 84847568 VHRRICGRDAJVCU-UHFFFAOYSA-N 348.631 4.659 0 40 EJAB CCc1cnc(CNc2ccc(Cl)cc2[C@H](O)c2ccccc2)o1 95414877 VXDYZXBACFKGSM-LJQANCHMSA-N 342.826 4.584 0 40 EJAB Cc1cc(NCc2nc3ccccc3n2C(C)C)n(-c2ccccc2)n1 95960668 ZHKTUPDETJDGKD-UHFFFAOYSA-N 345.450 4.723 0 40 EJAB COc1cccc([C@H]2Nc3ccc(C(=O)O)cc3[C@@H]3[C@@H]2[C@H]2CC[C@@H]3C2)c1 169679177 GAHFOJIJYCNZSE-LNFXXPKLSA-N 349.430 4.690 0 40 EJAB CCOc1cccc(N(C(=O)OC(C)(C)C)c2cc(C)ccn2)c1 199713570 PHSIFFRWUUFYSH-UHFFFAOYSA-N 328.412 4.862 0 40 EJAB Cc1ccc(C)c(CC(=O)Nc2ccccc2C(=O)c2ccccc2)c1 219275594 QVTMZRXDJPDJNW-UHFFFAOYSA-N 343.426 4.716 0 40 EJAB C[C@H](CNC(=O)[C@H](C)Cc1cccc2ccccc12)c1ccccc1 224941878 INSLMHDZGNANRG-QZTJIDSGSA-N 331.459 4.938 0 40 EJAB CC(C)Oc1ccc(NC(=S)N[C@H](C)c2ccc(F)cc2)cc1 225474034 VDWPFZPNBWCLLW-CYBMUJFWSA-N 332.444 4.661 0 40 EJAB CCOc1ccccc1NC(=S)N[C@H](CC)c1ccccc1C 225756505 RJZSKCRJKBIJSH-MRXNPFEDSA-N 328.481 4.831 0 40 EJAB CC(=C\c1ccccc1)/C=C1/SC(=O)N(CCc2ccccc2)C1=O 409210137 DYMUPWRRILPLFB-BIASGTOTSA-N 349.455 4.912 0 40 EJAB Cc1ccc(-c2nc(-c3cc4ccc(O)cc4oc3=O)sc2C)cc1 377807 ZFCWHENYOMPHCR-UHFFFAOYSA-N 349.411 4.906 0 40 EJAB COc1ccccc1Nc1nc(-c2cccc(NC(C)=O)c2)cs1 813393 JWEIBQQNCKJPRG-UHFFFAOYSA-N 339.420 4.521 0 40 EJAB CC(C)(C)[C@H]1COc2ccccc2N1C(=O)c1ccccc1Cl 1389077 BPQCMOJWXJHOQO-QGZVFWFLSA-N 329.827 4.794 0 40 EJAB C[C@@H](CN1CCCC1)[C@](O)(Cc1ccccc1)c1ccc(Cl)cc1 1698661 MEHPGVGVBWKTJB-LAUBAEHRSA-N 343.898 4.502 0 40 EJAB Clc1ncnc2cc(-c3ccc(Br)cc3)sc12 2541397 CQIBGLMUMFTNSI-UHFFFAOYSA-N 325.618 4.774 0 40 EJAB O=C(OCc1nc2ccccc2s1)c1cc2ccccc2cc1O 3273910 ZBJDVJMCJTZQGS-UHFFFAOYSA-N 335.384 4.512 0 40 EJAB C[C@@H](Nc1ccc2ccccc2c1)C(=O)N1CCCc2ccccc21 3345692 FKLWSSXQNBXMRA-MRXNPFEDSA-N 330.431 4.620 0 40 EJAB CC(=O)O[C@@]1(C)CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 4074040 YKEIELWRIARSQU-MHZHAZPJSA-N 346.511 4.920 0 40 EJAB biogenic CC[C@H](O)c1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1 4386177 XTKBUHKIJUOAKQ-INIZCTEOSA-N 335.234 4.835 0 40 EJAB Cc1sc2nc3c(O)cc(=S)[nH]c3c(Br)c2c1C 5687140 VCWJFOHGVGONOM-UHFFFAOYSA-N 341.255 4.592 0 40 EJAB S=C(NCCc1ccc(Cl)cc1)Nc1ccc(Cl)cc1 5944769 IBSGFFCQUOOYFE-UHFFFAOYSA-N 325.264 4.523 0 40 EJAB Cc1ccc(CN2C(=O)c3ccccc3N[C@@H]2c2csc(C)n2)cc1 7087965 UYEOHMWOUFHZDI-IBGZPJMESA-N 349.459 4.527 0 40 EJAB Clc1cc(Cl)cc(-c2ccc(CNC[C@@H]3CCCO3)o2)c1 7524704 WZMILFPCUVJRPT-AWEZNQCLSA-N 326.223 4.522 0 40 EJAB CCc1ccc(CN(Cc2cccnc2)C(=O)c2ccccc2F)cc1 7778028 ZIFLVICIBFNNSL-UHFFFAOYSA-N 348.421 4.626 0 40 EJAB O=C(Cc1cccc2ccccc12)Nc1ccccc1OC(F)(F)F 13020576 YQNTUQIWMJSNDX-UHFFFAOYSA-N 345.320 4.920 0 40 EJAB COc1cc2c(cc1OC)[C@@H]1CCCC[C@@H]1O[C@H]2c1cccc(F)c1 15024265 XEZFXTLWFUBFTN-XERREHJYSA-N 342.410 4.989 0 40 EJAB C[C@@H](NC(=O)c1ccc(Cl)s1)c1cccc(C(F)(F)F)c1 15694934 LRWSESNDZLLBKI-MRVPVSSYSA-N 333.762 4.911 0 40 EJAB Cc1nc2ccccc2nc1-c1nnc(-c2ccccc2Cl)s1 16265715 KUEXSEWFYMBVRZ-UHFFFAOYSA-N 338.823 4.777 0 40 EJAB CCOc1cc2c(cc1OCC)[C@H](c1ccc3ccccc3c1)NCC2 20506934 MNKDJXAYPKSZHU-QHCPKHFHSA-N 347.458 4.872 0 40 EJAB Cc1cc(NC(=O)Nc2ccc(F)c(Cl)c2)n(C2CCCC2)n1 28305056 MQMARBNBGYOXEJ-UHFFFAOYSA-N 336.798 4.743 0 40 EJAB CCOc1ccc(NC(=O)N(C)Cc2c(F)cccc2Cl)cc1 40095519 FESFFNOYZWIEPY-UHFFFAOYSA-N 336.794 4.542 0 40 EJAB CC(C)CCOc1ccc(C(=O)Nc2cccc3cccnc23)cc1 40160020 RNNIPMLKEPJWEG-UHFFFAOYSA-N 334.419 4.912 0 40 EJAB CN1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 72215516 LRRWUBQCVGOCJK-KRWDZBQOSA-N 345.487 4.532 0 40 EJAB Cc1cc(SC2CCCCC2)ncc1CNC(=O)OC(C)(C)C 72223833 ANTFBWJAHOPKJV-UHFFFAOYSA-N 336.501 4.840 0 40 EJAB C[C@@H](NCc1c[nH]c(-c2ccccc2)n1)c1ccc2c(c1)CCCC2 75093153 LDVDTIYGAJOHTI-MRXNPFEDSA-N 331.463 4.806 0 40 EJAB O=C(Nc1cccc(CSC2CCOCC2)c1)N1CCCCCC1 78814360 IKXPZIRDPZBCDG-UHFFFAOYSA-N 348.512 4.507 0 40 EJAB COC(=O)c1ccc(NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)cc1 107961959 ZJNWPPRZPBAOFK-UHFFFAOYSA-N 349.386 4.602 0 40 EJAB CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(OC2CCCC2)cc1 222863306 PKMQDAZUIZSPQF-HXUWFJFHSA-N 339.435 4.804 0 40 EJAB CCC1(CC)C[C@H](NC(=O)Cc2ccc(C)cc2)c2ccccc2O1 224066824 VQEPTKPFABNMGB-IBGZPJMESA-N 337.463 4.736 0 40 EJAB Cc1cccc(C[C@@H](Oc2ccccc2C(C)(C)C)C(=O)O)c1C 225022523 ORTMIMXACQHPDB-LJQANCHMSA-N 326.436 4.676 0 40 EJAB O=C(O)[C@@H](Cc1ccc(Cl)cc1Cl)Oc1cccc(Cl)c1 225085110 HWCMWXYMELTIAX-CQSZACIVSA-N 345.609 4.722 0 40 EJAB CCCO[C@@]1(C(=O)Nc2ccc(OC(C)C)cc2)CCC[C@@H](C)C1 225661002 KFTDNXSTNGDWDN-UZLBHIALSA-N 333.472 4.788 0 40 EJAB Cc1ccnc(NC(=S)NC2(CCc3ccccc3)CCCC2)c1 225873680 AUDSABSRYHPXAR-UHFFFAOYSA-N 339.508 4.622 0 40 EJAB CCN(C(=O)c1ccc(-c2ccc(Cl)cc2N)o1)c1ccccc1 226303845 TVBHSTHDTKPXOL-UHFFFAOYSA-N 340.810 4.849 0 40 EJAB O=C(Nc1ccccc1-c1nc2ccccc2s1)c1ncccc1F 1124076975 ANIGJIJKWFCLQQ-UHFFFAOYSA-N 349.390 4.750 0 40 EJAB COc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2)cc1 175923 PCAJPBZIAFVSEO-FQEVSTJZSA-N 348.377 4.605 0 40 EJAB O=C(CN1CCCCC1)c1ccc2c(c1)Sc1ccccc1O2 1858289 YAQJXKLJOYADSC-UHFFFAOYSA-N 325.433 4.612 0 40 EJAB Cc1ccc(C)c(N2COc3c(cc4c(C)c(C)c(=O)oc4c3C)C2)c1 2158330 MOPBMCOJHNPMRB-UHFFFAOYSA-N 349.430 4.692 0 40 EJAB biogenic O=C(Nc1ccc(F)cc1)C(Cl)(c1ccccc1)c1ccccc1 2735832 CRLRYHVFHZFDRO-UHFFFAOYSA-N 339.797 4.947 0 40 EJAB CCOc1ccc(C(=O)Nc2ccc(N(CC)C(C)C)cc2)cc1 3349450 JMEUMBBRGLPENV-UHFFFAOYSA-N 326.440 4.572 0 40 EJAB Cc1cccc(N2C(=O)S[C@H](Nc3ccc(C(C)C)cc3)C2=O)c1 3647959 MRBTUXNPYSYPFJ-KRWDZBQOSA-N 340.448 4.756 0 40 EJAB Cc1ccc2nsnc2c1NC(=O)c1ccc(Cl)cc1Cl 4753576 AKOFUFMWGLOXCF-UHFFFAOYSA-N 338.219 4.559 0 40 EJAB O=C(c1ccco1)N1N=C(c2ccco2)C[C@@H]1c1ccc(Cl)cc1 5043639 YDJMCAHYHIFANO-OAHLLOKOSA-N 340.766 4.518 0 40 EJAB CCn1c(SCc2ccc(F)cc2)nnc1-c1ccc(C)cc1 5477629 JOCQHPOKDYQXOA-UHFFFAOYSA-N 327.428 4.705 0 40 EJAB C[C@H](NC(=O)C[C@@H](C)c1ccccc1)C12CC3CC(CC(C3)C1)C2 6286350 AOXRSKUULCGCFZ-OQJZXCMRSA-N 325.496 4.901 0 40 EJAB O=C1C[C@H]2Sc3ccccc3N=C2N1c1ccc(Cl)cc1Cl 6576149 AEZSWNUDTXEHKB-CQSZACIVSA-N 349.242 4.935 0 40 EJAB COc1ccc(SCC(=O)N[C@H](CC(C)C)c2ccccc2)cc1 7154603 BYUIIQDMTABKMX-LJQANCHMSA-N 343.492 4.691 0 40 EJAB O=C(/C=C/c1ccc(Cl)cc1)Nc1nc(-c2ccccn2)cs1 7804793 KHCSGZRYWRMJET-RMKNXTFCSA-N 341.823 4.510 0 40 EJAB CCOC(=O)c1c(Cl)c(CC)c(Cl)n2c1nc1ccccc12 13215795 PPGGYMDRQQYYLV-UHFFFAOYSA-N 337.206 4.533 0 40 EJAB Cc1ccc(Nc2nn(-c3ccccc3)c3c2C(=O)C[C@H](C)C3)cc1 20671904 PXQPITMCLYNEEE-OAHLLOKOSA-N 331.419 4.689 0 40 EJAB COC(=O)c1ccc2c(C3CCCCC3)c(Br)[nH]c2c1 22010840 QOQJFUQDXVNLMK-UHFFFAOYSA-N 336.229 4.765 0 40 EJAB in-vitro CC[C@H](C)NC(=O)c1sc(-c2ccco2)nc1-c1ccccc1 24842273 DFLULZPLTFBAOT-LBPRGKRZSA-N 326.421 4.598 0 40 EJAB COc1ccccc1C(=O)N(Cc1cccs1)c1ccc(C)cc1 27584663 GBVXKTKRBKZFMB-UHFFFAOYSA-N 337.444 4.912 0 40 EJAB Cn1ccnc1[C@@H](NCc1ccc(C(C)(C)C)cc1)c1ccccc1 30643067 SKAIJEKSVIBKIT-FQEVSTJZSA-N 333.479 4.597 0 40 EJAB Cc1ccc(SCC(=O)N[C@@H](c2ccc(C)cc2)C2CC2)cc1 40024473 DIMREFJYYXLDAO-FQEVSTJZSA-N 325.477 4.663 0 40 EJAB Cc1cc2oc(=O)cc(CN[C@H](C)c3ccc(Cl)cc3)c2cc1C 57553985 ZHZQEWZNRYAAFW-CQSZACIVSA-N 341.838 4.914 0 40 EJAB CCCCSc1nnc(COc2ccccc2Cl)n1C1CC1 57932081 FUCMCVMOUJUNOM-UHFFFAOYSA-N 337.876 4.738 0 40 EJAB COc1ccccc1[C@H](C)NCc1csc(-c2ccsc2)n1 58004625 HGHQCXZBPMOLDB-LBPRGKRZSA-N 330.478 4.731 0 40 EJAB O=C([C@H]1CCCc2ccccc21)N(C1CC1)[C@@H]1CCc2ccccc21 58101905 AJDKPIAOUZKFQR-FCHUYYIVSA-N 331.459 4.785 0 40 EJAB O=[S@](Cc1cccc(Cl)c1)Cc1cccc(C(F)(F)F)c1 58203482 PQSYIQQTQRTVCA-OAQYLSRUSA-N 332.774 4.808 0 40 EJAB Cc1ccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(C)cc2C)c(C)c1 59351694 SEXBNJOFSPGIHL-ROUUACIJSA-N 325.452 4.565 0 40 EJAB CC(C)Oc1cccc(C(=O)Nc2cc(Cl)c(N)cc2Cl)c1 72229461 WNRCBOSHMFXRJI-UHFFFAOYSA-N 339.222 4.615 0 40 EJAB O=C(Nc1nc2ccccc2s1)N[C@@H]1CCc2c(Cl)cccc21 84603692 HNSNJERSMJVKON-CYBMUJFWSA-N 343.839 4.759 0 40 EJAB NN1C(=S)N=C2/C(=C/c3ccccc3)CCC[C@H]2[C@H]1c1ccccc1 200200289 DEBGZKKWACVPLZ-YVAYNOFSSA-N 347.487 4.527 0 40 EJAB CCc1ccccc1O[C@H](C)C(=O)N[C@H](C)c1ccc(C)c(C)c1 219295690 TWYHWBRWDSJFBI-IAGOWNOFSA-N 325.452 4.511 0 40 EJAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(C)c(C)c1)c1ccc(C)cc1C 219519832 YFUUZHAMCDSHDA-WIYYLYMNSA-N 339.479 4.955 0 40 EJAB COc1ccc([C@H](C)NC(=O)CCc2cccc3ccccc23)cc1 222675218 ZTVDOMQLBNYBOO-INIZCTEOSA-N 333.431 4.658 0 40 EJAB C[C@H](Sc1ccccc1)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 222905498 GDXHYLLRFSWFGD-HOTGVXAUSA-N 339.504 4.923 0 40 EJAB C[C@@H](NC(=O)CCc1ccccc1F)c1ccc2c(c1)CCCC2 223002010 GJZHXUONZXRVCX-OAHLLOKOSA-N 325.427 4.515 0 40 EJAB Cc1cccc(NC(=O)CSCc2ccc(Cl)cc2F)c1C 223258768 MCOJYSWCYAWRCB-UHFFFAOYSA-N 337.847 4.968 0 40 EJAB CCc1ccc(CC)c(CNC(=O)[C@H](CC)Oc2ccccc2C)c1 225105448 SKNZVCPEDAOUEA-FQEVSTJZSA-N 339.479 4.594 0 40 EJAB Cc1ccc(C)c(NC(=S)NCCCc2ccc(Cl)cc2)c1 225542849 KMAFPWIHTAFYIX-UHFFFAOYSA-N 332.900 4.876 0 40 EJAB CCOC1(C(=O)Nc2cc(C)c(O[C@H](C)CC)c(C)c2)CCCC1 225707984 ZHMNRGYBFUQPMM-MRXNPFEDSA-N 333.472 4.769 0 40 EJAB CC(C)c1ccc(CCCNC(=S)Nc2cccc(F)c2)cc1 225806694 CELGAQAGTMYGEP-UHFFFAOYSA-N 330.472 4.868 0 40 EJAB Cc1ccc2nc(-c3ccc(NC(=O)c4ncoc4C)cc3)sc2c1 520080415 ICWFRTIJCGRFLX-UHFFFAOYSA-N 349.415 4.820 0 40 EJAB Cc1cc(F)ccc1-c1ccc(C(=O)Nc2ccccc2O)cc1F 605021619 FEKOXPNCAWQWQJ-UHFFFAOYSA-N 339.341 4.898 0 40 EJAB CCOc1ccc([C@H](C)NC(=O)c2ccc(Cl)cc2)cc1OCC 356806 ZZPGRJKQRNBVAD-ZDUSSCGKSA-N 347.842 4.628 0 40 EJAB CCN(CC)CCOC(=O)N1c2ccccc2Sc2ccccc21 1671691 ZZXINSPSKSGPQB-UHFFFAOYSA-N 342.464 4.768 0 40 EJAB Fc1c(F)c(F)c(CSc2nc3ccccc3o2)c(F)c1F 2171262 MDCZFBIFYJPZCO-UHFFFAOYSA-N 331.265 4.816 0 40 EJAB O=C(Nc1ccc(SC(F)(F)F)cc1)c1cccnc1Cl 2561810 XYSNKIWARHSDIA-UHFFFAOYSA-N 332.734 4.599 0 40 EJAB Cc1ccc2nc(NC(=O)c3csc4c3CCCC4)sc2c1 2760805 LKHSYZZBMKLQHV-UHFFFAOYSA-N 328.462 4.797 0 40 EJAB Clc1ccc(COn2c(-c3ccccc3)nc3ccccc32)cc1 3052801 YBCUDOKBKQHJTR-UHFFFAOYSA-N 334.806 4.986 0 40 EJAB Cc1ccccc1-c1nnc(NC(=O)c2c(F)cccc2Cl)s1 4079061 CDIZNTLGILKOBP-UHFFFAOYSA-N 347.802 4.558 0 40 EJAB O=C(Nc1nc2c(s1)COc1ccccc1-2)c1ccc(Cl)s1 4224074 KYVAQSIYXMNRIM-UHFFFAOYSA-N 348.836 4.670 0 40 EJAB Cc1cc(C)c2nc(NC(=O)CSc3ccc(F)cc3)sc2c1 4496717 COACKSWKRGNZKD-UHFFFAOYSA-N 346.452 4.783 0 40 EJAB Cc1ccc(-c2nc(Nc3ccccc3F)sc2CC(=O)O)cc1 5023197 IACJAPQPJLVNTH-UHFFFAOYSA-N 342.395 4.628 0 40 EJAB CCOc1ccc2[nH]c3c(NCCCc4ccccc4)ncnc3c2c1 5215694 KALMZJXIDLMDOR-UHFFFAOYSA-N 346.434 4.555 0 40 EJAB O=C(Cc1c[nH]c2ccccc12)OCc1c(Cl)cccc1Cl 5400932 QJCYLKUJLFIFGF-UHFFFAOYSA-N 334.202 4.761 0 40 EJAB Cc1ccc(-c2csc3ncnc(SC[C@H]4CCCO4)c23)cc1 7540174 HRKQDLVWBIBUTG-CQSZACIVSA-N 342.489 4.938 0 40 EJAB C[C@H](O)c1ccc(-c2ccc(CNCc3ccccc3Cl)o2)cc1 7540853 HZCWQBJUNNBCOE-AWEZNQCLSA-N 341.838 4.943 0 40 EJAB COc1ccc(CN(C(=O)Cc2cccc3ccccc23)C2CC2)cc1 8163968 WCUKPIQGFQJUTA-UHFFFAOYSA-N 345.442 4.582 0 40 EJAB Cc1nc2c(C)c(Cl)ccc2c(O)c1CN(C)Cc1ccccc1 8717151 JDAJGBCUPYUTTE-UHFFFAOYSA-N 340.854 4.843 0 40 EJAB C[C@H](C(=O)Nc1nccs1)c1ccc(-c2ccccc2)c(F)c1 9184210 SUSSVWYDIMXGGI-LBPRGKRZSA-N 326.396 4.691 0 40 EJAB c1ccc(-c2nc3sccn3c2CN2CCc3ccccc3C2)cc1 12485707 ITUPFJYWYINUDQ-UHFFFAOYSA-N 345.471 4.621 0 40 EJAB CCOc1ccccc1-c1noc(CNc2cccc3c2CCCC3)n1 12523243 FTBGKGNULNURCD-UHFFFAOYSA-N 349.434 4.626 0 40 EJAB COc1ccc(-c2ccc(CCC(=O)N[C@H](C)c3ccccc3)o2)cc1 12768398 QMRJWEJBVOELBH-MRXNPFEDSA-N 349.430 4.765 0 40 EJAB COc1ccc([C@H](C)NC(=S)Nc2ccc(F)c(Cl)c2)cc1 13932663 DBPRNPYQZLTYIU-JTQLQIEISA-N 338.835 4.535 0 40 EJAB Cc1c(C(=O)N[C@@H]2CCOc3ccccc32)oc2ccc(Cl)cc12 14160393 CZWDHOSPPTUFQM-OAHLLOKOSA-N 341.794 4.648 0 40 EJAB O=C(Nc1cccc(F)c1)c1cccnc1Nc1ccccc1Cl 22072201 FKRRIMWUBRAVOM-UHFFFAOYSA-N 341.773 4.870 0 40 EJAB Cc1cc([C@H]2CCCN2C(=O)c2sc3ccccc3c2Cl)no1 29242563 CNYIZSHPHPCQBF-CYBMUJFWSA-N 346.839 4.828 0 40 EJAB Cc1cc(C)c([C@H](C)Sc2nnc3cc(C)nc(C)n23)c(C)c1 40157837 OIQOYXRDDGVMJB-AWEZNQCLSA-N 326.469 4.520 0 40 EJAB Clc1ccc(OCC[C@@H]2CCCNC2)c(Cc2ccccc2)c1 42773729 USYXJFDCWJZBIC-KRWDZBQOSA-N 329.871 4.699 0 40 EJAB CCCCCOc1ccc([C@H](C)NC(=O)c2occc2C)cc1OC 57831995 LQPXWTQKLFZRHA-HNNXBMFYSA-N 345.439 4.657 0 40 EJAB COc1ccccc1OC(=O)c1ccc2noc(-c3ccccc3)c2c1 58356581 UTLYYPPQWJIYAJ-UHFFFAOYSA-N 345.354 4.723 0 40 EJAB Cc1cc(C)cc(N(C)C(=O)c2cc(C3CC3)nn2-c2ccccc2)c1 58377970 KLAGDKIVXDWABC-UHFFFAOYSA-N 345.446 4.643 0 40 EJAB O=[S@@](Cc1coc(-c2ccccc2)n1)Cc1ccc(F)cc1Cl 69558786 RIQPFGMSCJZHDJ-QHCPKHFHSA-N 349.814 4.583 0 40 EJAB COc1ccc(/C(=C/C(=O)O)c2cc3cc(Cl)ccc3o2)cc1 72187987 ZWSLTVKCHIZWRU-GDNBJRDFSA-N 328.751 4.611 0 40 EJAB CC[C@@H](Nc1ccc2c(c1)NC(=O)[C@H](C)O2)c1ccc(Cl)cc1 78972543 ONGNSVCFVFAFRC-XHDPSFHLSA-N 330.815 4.623 0 40 EJAB Cc1cc([C@@H](C)NC(=O)c2ccc(OC3CCCC3)cc2)c(C)o1 84081648 ORIURZNPOGCGIT-CQSZACIVSA-N 327.424 4.709 0 40 EJAB CC(C)(C)Oc1ccc(C(=O)CC2(CC(=O)O)CCCCC2)cc1 95633961 DAEXZWJOYRTRDD-UHFFFAOYSA-N 332.440 4.862 0 40 EJAB CCn1c(-c2ccc(OC)c(F)c2)cs/c1=N/c1ccccc1 100061704 GOYJPZQMECJLBY-CZIZESTLSA-N 328.412 4.617 0 40 EJAB CC[C@H](NC(=O)[C@H](C)Oc1ccccc1C)c1ccc(C)cc1C 219290029 DEBNOWSXSPKNNH-HKUYNNGSSA-N 325.452 4.647 0 40 EJAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N[C@@H](C)c1ccc(C)c(C)c1 219378581 MRBKSLOMULMOAD-AZUAARDMSA-N 339.479 4.955 0 40 EJAB O=C(CCc1ccc(Cl)c(Cl)c1)NCc1ccccc1Cl 225327745 PBQOTAYLTLHKPO-UHFFFAOYSA-N 342.653 4.896 0 40 EJAB CCOc1cccc(NC(=O)c2cc(C(C)C)c(OC)cc2C)c1 225661855 DZOLCWLZHKHIBX-UHFFFAOYSA-N 327.424 4.778 0 40 EJAB O=C(Nc1cccc(Cl)c1Cl)c1conc1-c1ccccc1 225871321 MHVJPFTZRIADFX-UHFFFAOYSA-N 333.174 4.901 0 40 EJAB CCCOc1ccc(NC(=O)[C@](C)(CC)OCCC)c2cccnc12 225904273 BLJVEVZBIHJFGG-FQEVSTJZSA-N 344.455 4.557 0 40 EJAB CC[C@@H](C)c1ccc([C@H](NC(=O)c2cnc[nH]2)c2cccs2)cc1 511104845 IUBKTVCNHKSNDV-ACJLOTCBSA-N 339.464 4.504 0 40 EJAB CSc1ccccc1C(=O)NCCc1ccc(-c2ccco2)s1 2086896546 NARJBUMEFJQEIX-UHFFFAOYSA-N 343.473 4.703 0 40 EJAB O=C(Oc1ccc(Cl)cc1Cl)c1ccc(Br)o1 240801 FLPISHUVSPYKQG-UHFFFAOYSA-N 335.968 4.568 0 40 EJAB Cc1ccc(-n2ncc3c(NCCC4=CCCCC4)ncnc32)c(C)c1 426523 UULMISMXYQXPER-UHFFFAOYSA-N 347.466 4.735 0 40 EJAB Cc1ccsc1/C=C1/SC(=O)N(c2cccc(Cl)c2)C1=O 1006188 FXYYDGAVRCVAFB-MDWZMJQESA-N 335.837 4.951 0 40 EJAB CC(=O)N(Cc1ccccc1)Cc1cc2cccc(C)c2nc1Cl 1367588 JEPBAACWMTURAA-UHFFFAOYSA-N 338.838 4.745 0 40 EJAB CCCCc1ccc(N2C(=O)c3cccc4cccc(c34)C2=O)cc1 2026714 YSJZEMCKEKBFPT-UHFFFAOYSA-N 329.399 4.983 0 40 EJAB Cc1ccc(C(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)o1 3347333 SUQDKEIUEGUCEZ-GOSISDBHSA-N 344.414 4.631 0 40 EJAB CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCCC2 4071165 WAJJELYYOSDTQN-UHFFFAOYSA-N 328.462 4.862 0 40 EJAB CCOc1ccccc1CNc1ncc(-c2ccc(C)c(C)c2)n1C 4679071 VVDBHCCPOKWZRD-UHFFFAOYSA-N 335.451 4.715 0 40 EJAB CCN(CC)CCn1c(-c2ccccc2)nc(=S)c2c1CCCC2 5163575 QFBPHJHAGYBOLY-UHFFFAOYSA-N 341.524 4.500 0 40 EJAB O=C(/C=C/c1ccccc1Cl)NCc1ccc(Cl)cc1Cl 5583244 JQROHCNILSAVLF-SOFGYWHQSA-N 340.637 4.976 0 40 EJAB O=C(NCCc1ccc(Cl)cc1)Nc1cccc(C(F)(F)F)c1 6926124 ZHNGYQGNNRTBJK-UHFFFAOYSA-N 342.748 4.723 0 40 EJAB O=C(c1ccccc1)c1ccc(C(=O)N2CCC[C@H]3CCCC[C@H]32)cc1 7987580 PNCBTMDKRHJDFL-DYESRHJHSA-N 347.458 4.712 0 40 EJAB O=C(c1cccc(F)c1)N1CCc2sccc2[C@H]1c1ccccc1 8115157 HRBXMPDTGHHFOS-LJQANCHMSA-N 337.419 4.675 0 40 EJAB CCOc1ccc([C@@H](C)NC(=O)c2ccc(C)c(C)c2)cc1OCC 8294726 NFUINSLHHOXFSY-MRXNPFEDSA-N 341.451 4.592 0 40 EJAB O=C(CSCc1cccc(Cl)c1)N1CCCc2ccccc21 10449450 ZCWPMQMQTHNXKJ-UHFFFAOYSA-N 331.868 4.553 0 40 EJAB Cc1cc(C)n(-c2ccc(CN(Cc3ccccc3F)C3CC3)cc2)n1 12974862 AZQWIYFWPCTRPG-UHFFFAOYSA-N 349.453 4.793 0 40 EJAB C[C@H](Oc1ccc2ccccc2c1)C(=O)NC1CCCCCCC1 13708712 REIJJJATFWMRNO-INIZCTEOSA-N 325.452 4.836 0 40 EJAB COc1ccc(CSc2nnc(-c3cccs3)n2C2CC2)cc1 14706106 AUQGQAJXPQHMGE-UHFFFAOYSA-N 343.477 4.642 0 40 EJAB CC1=Nc2c(c(C)nn2-c2ccc(F)cc2)[C@H](c2cccnc2)S1 15085604 HKICSGCWTYQILE-KRWDZBQOSA-N 338.411 4.601 0 40 EJAB CN(Cc1ccc(Cl)cc1)C(=O)COc1cccc2ccccc12 15439701 LBBUVTUFTFWULT-UHFFFAOYSA-N 339.822 4.531 0 40 EJAB Cc1csc([C@@H](Cc2ccsc2)NCc2ccccc2F)n1 19240249 ITMODUBEGLKBDU-MRXNPFEDSA-N 332.469 4.726 0 40 EJAB CCCCCC(=O)Nc1cc(-c2nc3ccccc3[nH]2)ccc1OC 21580451 JWJPWCAOECBAOH-UHFFFAOYSA-N 337.423 4.757 0 40 EJAB COc1cccc(CCC(=O)N[C@H](C)c2cccc3ccccc23)c1 27103232 YXRNRSMLSACIFH-MRXNPFEDSA-N 333.431 4.658 0 40 EJAB c1ccc(-c2n[nH]c(-c3ccco3)c2-c2nc3ccccc3[nH]2)cc1 27788988 KBOLTIVCYMXDOH-UHFFFAOYSA-N 326.359 4.880 0 40 EJAB CN(C[C@H](O)c1ccccc1F)C(c1ccccc1)c1ccccc1 28909256 NIVNLPOAKGFAQT-NRFANRHFSA-N 335.422 4.581 0 40 EJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1cc(C)ccc1OC 30753973 GPNOBLUFHNAECM-LJQANCHMSA-N 349.430 4.953 0 40 EJAB CCc1cccc(CC)c1NC(=O)N1CCC[C@H](C(F)(F)F)C1 40526341 PKLXLZUGHBKGQV-AWEZNQCLSA-N 328.378 4.618 0 40 EJAB CCOc1cccc(CNC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c1 44843683 NDJIYXMIMSPVLL-CYBMUJFWSA-N 349.883 4.536 0 40 EJAB Cc1ccc(CC(=O)N[C@H](CC(C)C)c2nc3ccccc3[nH]2)cc1C 49574793 MUIGHBPFQYLCMX-HXUWFJFHSA-N 349.478 4.626 0 40 EJAB C[C@@H](N[C@H](C)c1ccc(Cl)cc1Cl)c1nc(C2CC2)no1 51535228 GNWHGLIPKBYPLA-RKDXNWHRSA-N 326.227 4.666 0 40 EJAB CCC(=O)N1c2ccccc2[C@@](C)(c2ccc(OC)cc2)CC1(C)C 59501068 ZQOAUKHWMIEXSQ-JOCHJYFZSA-N 337.463 4.927 0 40 EJAB CC[C@H](C)Sc1ccc(NC(=O)[C@H]2CCOC2)c(C(F)(F)F)c1 60306422 SXCDAEOTHDUENZ-QWRGUYRKSA-N 347.402 4.571 0 40 EJAB CC1(C)CC[C@@H](NC(=O)N2CCc3sccc3C2)c2ccccc21 60574570 WPSQXANJRHMBPI-QGZVFWFLSA-N 340.492 4.629 0 40 EJAB O=C(Cc1nc(-c2ccc3c(c2)CCCC3)cs1)Nc1ccccc1 60943038 MYZOOEYBYCXVID-UHFFFAOYSA-N 348.471 4.870 0 40 EJAB CCN1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 72215338 XWFPXJIVKOBWEQ-QGZVFWFLSA-N 345.487 4.532 0 40 EJAB CC(C)(C)OC(=O)N(c1ccc(C2=NCCC2)cn1)C1CCCCC1 72215663 UWSRVSLCKKYYSR-UHFFFAOYSA-N 343.471 4.739 0 40 EJAB c1cn(C2CCCC2)nc1CSc1nnc(C2CCCCC2)o1 89884714 TVORRKBMZGOTQH-UHFFFAOYSA-N 332.473 4.721 0 40 EJAB COC(=O)[C@H]1[C@H](c2ccc(-c3ccccc3)cc2)N1C1CCCCC1 90513737 IORCSIWZIMABRA-ZOAFEQKISA-N 335.447 4.585 0 40 EJAB FC(F)(Cl)Oc1ccc(C(F)(F)F)cc1Br 95215658 FTICFVUJDULUON-UHFFFAOYSA-N 325.458 4.636 0 40 EJAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)Cc1cccc(C(F)(F)F)c1)C2 108899949 FFEBWNABOOCVNZ-YEWWUXTCSA-N 339.401 4.579 0 40 EJAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H](C)C(=O)[C@@]4(C)CC[C@@H]32)C1 118915058 CEDMTUMXNJENDO-HPEZHBDHSA-N 344.495 4.696 0 40 EJAB C[S@](=O)Cc1cc(NCc2cc3ccccc3o2)ccc1Cl 195559025 YIYZLZCFYVFYRL-QFIPXVFZSA-N 333.840 4.577 0 40 EJAB Cc1ccccc1[C@@H]1CCN(C(=O)/C=C/c2ccccc2)CCS1 219276974 WBEURYRUJZINHN-SGWGQVFISA-N 337.488 4.715 0 40 EJAB CC[C@H](NC(=O)COc1cccc(C)c1C)c1ccc(C)cc1C 222822403 GXBPDTGEORPFIU-IBGZPJMESA-N 325.452 4.567 0 40 EJAB Cc1ccc(OCCCC(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1 223442893 NVBZUOFXSYJZCC-LJQANCHMSA-N 339.479 4.957 0 40 EJAB CCCOc1ccc(C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1 223452691 KTWQPACMXKJHGR-KRWDZBQOSA-N 325.452 4.892 0 40 EJAB CC(C)c1ccccc1OCCNC(=O)Nc1ccc(Cl)cc1 223826989 DFDBHTXRGLNIOO-UHFFFAOYSA-N 332.831 4.664 0 40 EJAB O=C(O)[C@@H](Cc1ccccc1Cl)Sc1ccc(Cl)cc1 225057433 DFNLHBIMGLPLOS-CQSZACIVSA-N 327.232 4.781 0 40 EJAB CCCCOc1ccc(NC(=O)C2(OC)CCC(C)CC2)cc1C 225641299 DBDNZNWBXFFPCS-UHFFFAOYSA-N 333.472 4.708 0 40 EJAB COc1ccc(NC(=S)N[C@H](C)CC(C)(C)c2ccccc2)cc1 225658549 VJHGWMSHTOUHFB-OAHLLOKOSA-N 342.508 4.738 0 40 EJAB CCC[C@](C)(OCC)C(=O)Nc1cc(C)c(OCC(C)C)c(C)c1 225694815 UDLWIADORDYXRY-FQEVSTJZSA-N 335.488 4.872 0 40 EJAB CCOc1c(C)cc(NC(=O)[C@@]2(OCC)CCC[C@@H](C)C2)cc1C 225717896 IKAQHDQGGLGVDM-JLTOFOAXSA-N 333.472 4.626 0 40 EJAB Cc1ccc(C(C)C)c(OCC(=O)N[C@@H]2CCCc3ccccc32)c1 225754360 WVYHZJIQTANYKJ-HXUWFJFHSA-N 337.463 4.691 0 40 EJAB Fc1cc(C(F)(F)F)c(F)c(Br)c1Br 307639894 DBDBMOWTXPPQSV-UHFFFAOYSA-N 339.883 4.509 0 40 EJAB CC[C@H]1CN(C(=O)Cc2cccc3ccccc23)c2ccccc2O1 1126597081 MLZPHCLLPPHATI-SFHVURJKSA-N 331.415 4.587 0 40 EJAB CCOc1ccc([C@@H]2S[C@@H](C)C(=O)N2c2ccc(Cl)cc2)cc1 35029 NWFNFNKXVZAPCF-SGTLLEGYSA-N 347.867 4.906 0 40 EJAB Cc1ccc(-c2nn(-c3ccccc3)c(=O)c3ccccc23)cc1C 143969 IUXWFBDNIPEJFE-UHFFFAOYSA-N 326.399 4.670 0 40 EJAB CCOc1ccc([C@@H](C)NC(=O)c2ccc(Cl)cc2)cc1OCC 356804 ZZPGRJKQRNBVAD-CYBMUJFWSA-N 347.842 4.628 0 40 EJAB S=C(c1cn(Cc2ccccc2)c2ccccc12)N1CCCCC1 555395 PCDYLXHKLFUWKU-UHFFFAOYSA-N 334.488 4.851 0 40 EJAB CCCCn1nc(NC(=O)CC(C)C)c2cc3cc(C)ccc3nc21 2396653 GFILOFJGJMBMJO-UHFFFAOYSA-N 338.455 4.678 0 40 EJAB O=C(NCCC(c1ccccc1)c1ccccc1)c1ccccc1F 2748442 IYAQXVUAMKAQCX-UHFFFAOYSA-N 333.406 4.778 0 40 EJAB Oc1ccccc1-c1cc(-c2ccccc2)nn1Cc1ccccc1 3263663 OQEZXEZQIHOSJE-UHFFFAOYSA-N 326.399 4.971 0 40 EJAB Cc1cccc(Nc2nnc(SC[C@@H]3CCCCO3)s2)c1C 3463241 LWHZXHXWPGGLJN-ZDUSSCGKSA-N 335.498 4.560 0 40 EJAB Ic1ccc(/N=C/C=C/c2ccccc2)cc1 4413074 NAMHBEACIJQJCO-FZHIPVGDSA-N 333.172 4.707 0 40 EJAB CC(=O)OC1=CC(c2ccccc2)(c2ccccc2)c2ccccc21 5064132 DJXSAQCGVTWGHA-UHFFFAOYSA-N 326.395 4.939 0 40 EJAB COc1ccc2oc(C(=O)N3CCC[C@H]4CCCC[C@H]43)c(C)c2c1 7690000 SORNPEHOJDVEMC-RHSMWYFYSA-N 327.424 4.545 0 40 EJAB C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)c1cc2c(F)cccc2s1 7719448 AOXHSFPVGVGJJU-VIFPVBQESA-N 345.361 4.843 0 40 EJAB CCc1ccccc1NC(=O)c1ccc(OCc2cscn2)cc1 7808104 YLVMHRRTNKITGO-UHFFFAOYSA-N 338.432 4.537 0 40 EJAB O=C(c1cccc(Cl)c1)N1CCC[C@H]1c1nc2ccccc2s1 9996089 YFTAXOIGFGLJCW-HNNXBMFYSA-N 342.851 4.927 0 40 EJAB COc1ccc([C@H]2CC(=O)Nc3ccsc32)cc1OC1CCCC1 12371386 MZSMVINWTKTLRB-CQSZACIVSA-N 343.448 4.552 0 40 EJAB CC[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(OC)cc1 12700146 RKGQGMMDHOXIEZ-MRXNPFEDSA-N 337.341 4.595 0 40 EJAB CC(=O)c1ccc(NC(=O)CCC(=O)c2ccc3ccccc3c2)cc1 12791953 SAFWCBDNVODNJF-UHFFFAOYSA-N 345.398 4.644 0 40 EJAB C[C@H](NC(=O)c1ccc(Cl)cc1F)c1ccc(OC(F)F)cc1 13006311 CXEIZKACZHFUGG-VIFPVBQESA-N 343.732 4.572 0 40 EJAB C[C@H](Oc1cccc2ccccc12)C(=O)Nc1cccc(Cl)c1 13708886 AERLLULGFQLOSN-ZDUSSCGKSA-N 325.795 4.899 0 40 EJAB Cc1ccsc1CN(Cc1ccco1)C(=O)c1ccccc1F 15831752 HESHKIVRNALAJM-UHFFFAOYSA-N 329.396 4.631 0 40 EJAB CCN(CC)Cc1ccccc1CNC(=O)c1cccc2ccccc12 16783937 ANLBTURZLLKVSH-UHFFFAOYSA-N 346.474 4.612 0 40 EJAB Cc1[nH]c2ccccc2c1CC(=O)Nc1ccc(Cl)c(Cl)c1 24485126 DNDNJSUNACZAMV-UHFFFAOYSA-N 333.218 4.964 0 40 EJAB CCCCOc1cccc(C(=O)Nc2cc(-c3ccccc3)no2)c1 27747317 UYPANBRNXNHPGA-UHFFFAOYSA-N 336.391 4.773 0 40 EJAB O=C(NCc1ccc(-c2ccc(Cl)cc2)o1)c1c(F)cccc1F 32721483 OJBKLGXBMZQSLW-UHFFFAOYSA-N 347.748 4.808 0 40 EJAB Cc1nc(-c2ccccc2)sc1C(=O)N(C)[C@H]1CCc2ccccc21 32905659 MJLYIYWRQDWTAG-SFHVURJKSA-N 348.471 4.878 0 40 EJAB Cc1ccccc1C(=O)NCc1ccccc1COCc1ccccc1 36391429 MHGROHRYMWPKOL-UHFFFAOYSA-N 345.442 4.642 0 40 EJAB C[C@@H](Cc1nc(-c2ccc(F)cc2F)cs1)n1cc(Cl)cn1 36612099 ZWLXRCJXBYIQGV-VIFPVBQESA-N 339.798 4.742 0 40 EJAB C[C@H](NC(=O)c1cc(-c2cccc(F)c2)no1)c1ccccc1Cl 36833014 PAEMRMBMBWITEW-NSHDSACASA-N 344.773 4.625 0 40 EJAB c1cc(Nc2nc3ccccc3[nH]2)cc(-c2nc3ccccc3[nH]2)c1 73636069 BBYHKRLXMWUPHE-UHFFFAOYSA-N 325.375 4.850 0 40 EJAB CN(C(=O)c1cccn1Cc1ccccc1)c1ccc2ccccc2c1 83869519 YNPJNFXMRHVIGX-UHFFFAOYSA-N 340.426 4.966 0 40 EJAB CC(C)c1sc(Cl)nc1C(=O)Nc1nc2ccccc2s1 95476343 BZLVTBFBAGQTGP-UHFFFAOYSA-N 337.857 4.782 0 40 EJAB CO[C@H](CNC(=O)c1ccc(-c2ccccc2)cc1)c1ccsc1 96103335 KVHKNYBRRMSFGH-LJQANCHMSA-N 337.444 4.533 0 40 EJAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1cc(Cl)ccc1Cl)CC2=O 100834589 PFWDTZXZKWFNGJ-IRXDYDNUSA-N 340.250 4.717 0 40 EJAB C1=CN(C23CC4CC(CC(C4)C2)C3)CN1C12CC3CC(CC(C3)C1)C2 101967139 PLONOWACPBEYFD-UHFFFAOYSA-N 338.539 4.970 0 40 EJAB c1ccc(OCc2cscn2)c(NCc2cccc3cc[nH]c23)c1 532729867 WPEBDTPLNPIITF-UHFFFAOYSA-N 335.432 4.816 0 40 EJAB CC(C)(C)SCc1nnc2sc(-c3ccccc3Cl)nn12 1501040391 PCUQKXNFJRGRRC-UHFFFAOYSA-N 338.889 4.538 0 40 EJAB CCc1ccc2oc(-c3cccc(NC(=O)c4cccnc4)c3)nc2c1 187510 WLLYEFVBFLDLKE-UHFFFAOYSA-N 343.386 4.705 0 40 EJAB Cc1ccc2nc3sc(C(=O)Nc4ccccc4)c(N)c3cc2c1 412394 WMCBUNZWTQWPAG-UHFFFAOYSA-N 333.416 4.592 0 40 EJAB CC(C)CCn1c(-c2ccccc2F)nc2nc3ccccc3nc21 540519 OIEGJFDJCZEXFV-UHFFFAOYSA-N 334.398 4.832 0 40 EJAB COc1ccc(-c2nc3nc4ccccc4nc3n2C2CCCC2)cc1 545291 IFUXLYNPFGMLGO-UHFFFAOYSA-N 344.418 4.770 0 40 EJAB Cc1ccc(NC(=O)Cn2cc(C(=O)C(C)C)c3ccccc32)cc1C 560773 CSAXMEPKQLTFLJ-UHFFFAOYSA-N 348.446 4.736 0 40 EJAB CCOc1ccc(OCc2ccc(C(=O)Nc3ccccc3)cc2)cc1 2753173 KMYBMULMIQWFLS-UHFFFAOYSA-N 347.414 4.917 0 40 EJAB Cc1c(-c2ccccc2)c(=O)oc2ccc(OC(=O)c3ccco3)cc12 4340715 OEYJDSYNMHXAEH-UHFFFAOYSA-N 346.338 4.581 0 40 EJAB biogenic CC(=C\c1ccccc1)/C=C1/SC(=O)N(Nc2ccccc2)C1=O 5376129 OOZXOEKAFAUWJT-SWZGKVDCSA-N 336.416 4.696 0 40 EJAB O=C(Nc1ccc(CN2CCCC2)cc1)c1cccc(Cl)c1Cl 5995948 KHQMDDAYYDGRPU-UHFFFAOYSA-N 349.261 4.842 0 40 EJAB CCc1ccc2c(c1)C(c1ccc(C)o1)=NNC(c1ccc(C)cc1)=N2 6844164 GZYZTCDIEFDAPE-UHFFFAOYSA-N 343.430 4.893 0 40 EJAB O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1ccc(Cl)cc1 6940562 YPMWUYKDKUTAQJ-UHFFFAOYSA-N 332.133 4.847 0 40 EJAB CC(=O)c1ccc(NC(=O)c2cc(C3CC3)nc3ccccc23)cc1 8129702 XBLWWMHSZJAISA-UHFFFAOYSA-N 330.387 4.567 0 40 EJAB COc1ccc(NC(=O)c2sccc2-c2ccccc2)c(OC)c1 8231995 CBAYYSWYKJBBDM-UHFFFAOYSA-N 339.416 4.685 0 40 EJAB C[C@H]1CCc2sc(-c3nnc(SCc4cscn4)o3)cc2C1 8325355 FYQPPHWZMAKGAO-VIFPVBQESA-N 349.506 4.672 0 40 EJAB CC(C)Sc1ccccc1C(=O)NCCSC1CCCCC1 8479577 LXDQSAPXGNTEHS-UHFFFAOYSA-N 337.554 4.983 0 40 EJAB O=C(c1ccccc1Cl)N(C(=O)N1CCCCC1)c1ccccc1 9317729 BDSFKZOZNRDSOL-UHFFFAOYSA-N 342.826 4.593 0 40 EJAB C[C@@H]1CCCC[C@]12CCc1cc3c4c(c(=O)oc3cc1O2)CCCC4 9341930 RYANGRYRTYPUCU-PEBXRYMYSA-N 338.447 4.946 0 40 EJAB CCOc1ccc(-c2n[nH]c(C)c2-c2ccc(Cl)cc2)c(O)c1 9436885 JVCNBFISYMUBAO-UHFFFAOYSA-N 328.799 4.810 0 40 EJAB Cc1noc2nc(C3CC3)cc(C(=O)Nc3ccccc3C(C)(C)C)c12 12769790 HBWKWQLMHHOIBP-UHFFFAOYSA-N 349.434 4.958 0 40 EJAB COc1cccc(CN[C@@H](Cc2ccsc2)c2nc(C)cs2)c1 19240242 DUPWUMSMRWPZPF-KRWDZBQOSA-N 344.505 4.595 0 40 EJAB Cc1cc(Nc2ccc(Cl)cc2C)c2cc(C(=O)O)ccc2n1 19793902 YMZRZZLNRCKKOW-UHFFFAOYSA-N 326.783 4.947 0 40 EJAB CCC[C@H](C)NC(=O)c1ccc(CN2CCCc3ccccc32)cc1 38772729 KICUSJGRMCLNRV-KRWDZBQOSA-N 336.479 4.558 0 40 EJAB Cc1ccccc1NCc1nc(-c2ccc(C(F)(F)F)cc2)no1 48355524 PFINRBBNGDLMBY-UHFFFAOYSA-N 333.313 4.676 0 40 EJAB Cc1cc(NC(=O)Nc2cccc(F)c2C)ccc1Br 51354555 CSUJGLRRKMPZLM-UHFFFAOYSA-N 337.192 4.849 0 40 EJAB Cc1nc(Cl)ccc1[C@H]1CCCCN1C(=O)OCc1ccccc1 72217931 YVVPYVYIYXNZHC-QGZVFWFLSA-N 344.842 4.907 0 40 EJAB O=C(Nc1cccs1)N(CCc1cccs1)Cc1ccco1 75154768 RPNITGOXPDMJQB-UHFFFAOYSA-N 332.450 4.679 0 40 EJAB Cc1cc(CN(C)[C@@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)no1 89604745 MWXSIRVINZZBSJ-ZDUSSCGKSA-N 345.830 4.793 0 40 EJAB O=C(O)Oc1ccccc1Oc1cc(Cl)cc(C(F)(F)F)n1 91302213 MZWMYPOKXZYAIF-UHFFFAOYSA-N 333.649 4.603 0 40 EJAB O=C(c1cnc(Cl)c(Cl)c1)N(Cc1ccco1)C1CCCC1 95349418 LPSJKSMOBMYJKW-UHFFFAOYSA-N 339.222 4.566 0 40 EJAB ClC1(Cl)[C@H]2C[C@@H]3[C@@H]([C@H]4[C@H]([C@H]21)C4(Cl)Cl)C3(Cl)Cl 100916804 LXFGXVWBHKKGFX-OUIVRQFQSA-N 340.892 4.650 0 40 EJAB COCc1ccccc1N[C@@H](C)c1nnc(-c2ccc(C)c(C)c2)o1 123542167 LKIXYQFHMDIAPF-HNNXBMFYSA-N 337.423 4.673 0 40 EJAB CC[C@H](Oc1cccc(C)c1)C(=O)N[C@@H](C)c1ccc(C)c(C)c1 219318135 ABQNJVVFILAILD-PXNSSMCTSA-N 325.452 4.647 0 40 EJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NC(C)(C)Cc1ccccc1 222797172 GWSVQBOPDQAVIY-SFHVURJKSA-N 345.870 4.635 0 40 EJAB CCCO[C@@]1(C(=O)Nc2ccc(OC(C)C)cc2)CCC[C@H](C)C1 225661063 KFTDNXSTNGDWDN-JXFKEZNVSA-N 333.472 4.788 0 40 EJAB CC[C@H](NC(=O)c1ccc(OC)c(Cl)c1)c1ccc(OC)c(C)c1 225780983 REYIPACTSGVBQN-INIZCTEOSA-N 347.842 4.547 0 40 EJAB CC(=O)[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@@]2(C)[C@@H]3CC[C@]2(C)O)C1 257346308 XWDRJXANNWFPCX-KWESWEIXSA-N 332.528 4.985 0 40 EJAB O=C(O)c1cccc2c1N[C@H](c1ccccc1)[C@H]1Cc3ccccc3[C@H]21 408994948 JWZCKVRWTZDHHF-PWRODBHTSA-N 341.410 4.856 0 40 EJAB Cc1ccc(-n2cccc2/C=C2/SC(=O)N(C(C)C)C2=O)cc1C 409022270 LTEYWSWEEIWTAW-GZTJUZNOSA-N 340.448 4.539 0 40 EJAB CCCn1c(Sc2ccccn2)nnc1-c1ccc(Cl)cc1 409092842 ZQMBTEBZOIIXCX-UHFFFAOYSA-N 330.844 4.555 0 40 EJAB Cc1sc(C(=O)O)cc1CN1C[C@@H](c2ccccc2)C2(CCC2)C1 568292297 JITDIJYFDHVPRX-KRWDZBQOSA-N 341.476 4.524 0 40 EJAB CCc1ccc(-n2c(-c3ccco3)nc3nc4ccccc4nc32)cc1 508173 ULFBTYULFOOMGS-UHFFFAOYSA-N 340.386 4.791 0 40 EJAB Cc1cc(/C=C2/C(=O)N(C)c3ccccc32)c(C)n1-c1ccccc1 575050 SYVXVIXYRULYFY-XSFVSMFZSA-N 328.415 4.611 0 40 EJAB Cc1ccc(C)c2c1N=C(c1ccccc1)NN=C2c1ccccc1 4130113 MWXGNTJNXRFFRU-UHFFFAOYSA-N 325.415 4.737 0 40 EJAB CC(=O)c1cccc(NC(=O)c2sc3cccc(F)c3c2C)c1 5278969 SBCFXQGUPDNKHB-UHFFFAOYSA-N 327.380 4.804 0 40 EJAB COc1ccc(-c2nc(CSc3nc(C)cs3)cs2)cc1 6881210 HGAWYIKNFNBIDO-UHFFFAOYSA-N 334.491 4.876 0 40 EJAB COc1cccc(-c2nc(CSc3ccccn3)cs2)c1OC 8194475 BZEPFWYVLZZTRB-UHFFFAOYSA-N 344.461 4.515 0 40 EJAB CCOc1ccc(C(=O)Nc2ccc(N3CCCC[C@@H]3C)cc2)cc1 9064465 YIATYKQHCFOPHG-INIZCTEOSA-N 338.451 4.716 0 40 EJAB CSc1cccc(NC(=O)CCc2ncc(-c3ccccc3)o2)c1 11326397 NNYIEXXIZFBLIH-UHFFFAOYSA-N 338.432 4.635 0 40 EJAB O=C(CCCc1nc2ccccc2s1)NCCC1=CCCCC1 12778000 DFSBAUSVBONVQZ-UHFFFAOYSA-N 328.481 4.626 0 40 EJAB COc1ccccc1[C@@H](C)NC(=O)c1ccc(-c2ccccc2)nc1C 12791719 GNDIZDICYMLMMQ-OAHLLOKOSA-N 346.430 4.557 0 40 EJAB N[C@H](/C=C\CCCC/C=C\[C@@H](N)Cc1ccccc1)Cc1ccccc1 13410492 TWYOWZUUOPMQAM-KMZJUIBWSA-N 348.534 4.799 0 40 EJAB Fc1ccc(CN[C@H](Cc2cccs2)c2nccs2)cc1F 19343339 YKLHOEWNHMNIDZ-OAHLLOKOSA-N 336.432 4.556 0 40 EJAB O=C(O)Cc1sc(-c2cccc(Cl)c2)nc1-c1ccccc1 19772758 MDFIBZTUSPQTNM-UHFFFAOYSA-N 329.808 4.758 0 40 EJAB Cc1ccc(N2CN(Cc3ccccc3)CN=C2c2ccccc2)cc1 19960630 MWVOYELFNBWCJS-UHFFFAOYSA-N 341.458 4.679 0 40 EJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@H]1CCCc2ccccc21 20105161 KISIWPGWFQZDBY-PMACEKPBSA-N 337.463 4.655 0 40 EJAB Brc1ccccc1CSc1ncnc2ccsc12 26958509 VBAJTPYFZFPZAY-UHFFFAOYSA-N 337.267 4.746 0 40 EJAB CN(C(=O)c1cc2cc(Cl)ccc2o1)c1nc2ccccc2s1 26965891 PCZCKRFBMOBBPI-UHFFFAOYSA-N 342.807 4.973 0 40 EJAB C[C@@H]1CCCN(c2nc(-c3ccc(Cl)cc3)cc(C(F)F)n2)C1 36612831 YTFSAJLUNSPHQU-LLVKDONJSA-N 337.801 4.971 0 40 EJAB COc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1Cl 40114237 UFJJUTDPARVDHW-UHFFFAOYSA-N 330.598 4.908 0 40 EJAB COc1ccc([C@H]2CCCN2Cc2nc(-c3ccccc3)oc2C)cc1 48261327 YCLNOYJOBBHCIB-OAQYLSRUSA-N 348.446 4.996 0 40 EJAB Cc1nc2ccccc2n1CC(=O)O[C@@H](C)c1cccc2ccccc12 63975307 YCQHZSPXTOOIQC-HNNXBMFYSA-N 344.414 4.802 0 40 EJAB C[C@@H](c1ccc(Cl)cc1)S(=O)(=O)[C@@H](C)c1ccc(F)c(F)c1 77647157 IQUCZNQNJVLTMM-QWRGUYRKSA-N 344.810 4.855 0 40 EJAB Clc1ccc(Cl)c(-c2noc(-c3ccnc(Cl)c3)n2)c1 89262828 MXTJZHNTXDAIGE-UHFFFAOYSA-N 326.570 4.759 0 40 EJAB CC(C)=C[C@@H]1[C@H](C(=O)N[C@@H](c2ccccc2)c2ccncc2)C1(C)C 89914098 GJHNJNQPARNKHX-AQNXPRMDSA-N 334.463 4.526 0 40 EJAB Cc1ccc(CN[C@H](C)c2scnc2C)c(OCC(F)(F)F)c1 95969178 WDJPNQVRLYVWGT-LLVKDONJSA-N 344.402 4.552 0 40 EJAB CC(=O)[C@H]1CC[C@H]2[C@@H]3CC(C)=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 118917672 IQGZWLYDESGLID-VQOKRXFTSA-N 330.512 4.905 0 40 EJAB Cc1cc(C)cc(O[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)O)c1 225088241 YLNFHAMGLYXKKF-MRXNPFEDSA-N 339.218 4.685 0 40 EJAB Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)Oc1cccc2c1CCCC2 225866901 SHTZVQQFOAJYQC-DLBZAZTESA-N 337.463 4.519 0 40 EJAB COC(=O)c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)c(O)c1 575409802 NWQFJEKEHLXGPS-UHFFFAOYSA-N 330.689 4.518 0 40 EJAB C(=C/c1ccccc1)\CN1CCC(c2ccc3cccnc3n2)CC1 653806990 IEAWLFGSFFGCTE-VMPITWQZSA-N 329.447 4.523 0 40 EJAB Cc1ccc2[nH]c(C(=O)NCc3ccc(-c4ccccc4)o3)cc2c1 1141942515 DCFZLZQHVOMXJD-UHFFFAOYSA-N 330.387 4.666 0 40 EJAB Cc1cc(C)cc(-c2nn3c(CSC(C)(C)C)nnc3s2)c1 1501040199 FHEPRKWJWCIWEA-UHFFFAOYSA-N 332.498 4.501 0 40 EJAB Cc1c(C(=O)N2CCCCC2)[nH]c2ccc(OCc3ccccc3)cc12 36607 RZWKDAXOIBXQGZ-UHFFFAOYSA-N 348.446 4.681 0 40 EJAB biogenic,in-vitro O=C1c2cccc3cccc(c23)C(=O)N1c1ccc2c3c(cccc13)CC2 111271 XPTJTXGDAYKTLZ-UHFFFAOYSA-N 349.389 4.892 0 40 EJAB CC(=O)Nc1ccc(-c2nc(-c3ccccc3)c3ccccc3n2)cc1 184163 FBOJAAGTLKDNRE-UHFFFAOYSA-N 339.398 4.922 0 40 EJAB Cc1ccnc(N[C@H](c2ccncc2)c2c(C)[nH]c3ccccc23)c1 1281090 LSUCIMJIEGWCQS-OAQYLSRUSA-N 328.419 4.776 0 40 EJAB CSc1cccc(NC(=O)OCCOc2ccc(Cl)cc2)c1 1753749 MKXQVIJNUUMIND-UHFFFAOYSA-N 337.828 4.689 0 40 EJAB CC(C)c1ccc([C@@H](NC(=O)COc2ccccc2F)C(C)C)cc1 5407271 TVEZWSQNHJWOJS-NRFANRHFSA-N 343.442 4.841 0 40 EJAB O=C(Nc1ccc(Cl)c(Cl)c1)N(Cc1ccncc1)C1CC1 6269033 JIPZFVQAIOLGCG-UHFFFAOYSA-N 336.222 4.585 0 40 EJAB CC(C)c1ccc(NC(=S)NCCSc2ccccc2)cc1 7500715 WHIFAEIIFIWTEI-UHFFFAOYSA-N 330.522 4.889 0 40 EJAB CCCCCCC(=O)Nc1ccccc1S[C@H](CCC)C(=O)O 8732940 QZHLYZSDRZAAQD-MRXNPFEDSA-N 337.485 4.941 0 40 EJAB CC(C)CC(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 10235627 QYFXRABDJKTRFC-UHFFFAOYSA-N 336.888 4.702 0 40 EJAB Cc1nc(SCc2ccc(F)cc2)nc(O)c1Cc1ccccc1 11905602 NOIPAMFCXAKATH-UHFFFAOYSA-N 340.423 4.513 0 40 EJAB Cc1ccc2c(CNc3cc(Cl)ccc3F)cc(=O)oc2c1C 12813297 JJVGMQQXXNWMPU-UHFFFAOYSA-N 331.774 4.814 0 40 EJAB CC(C)(C)c1csc(NC(=O)c2csc(-c3ccsc3)n2)n1 12856179 PCXFLQVZZDSWQN-UHFFFAOYSA-N 349.506 4.878 0 40 EJAB CC[C@H](Nc1ccc(OC)cc1)c1cc2cc(C)c(C)cc2[nH]c1=O 13564258 DPFLKOPXIDJVIP-IBGZPJMESA-N 336.435 4.717 0 40 EJAB O=C(NCC1(c2cccs2)CCCC1)C12CC3CC(CC(C3)C1)C2 13803089 QTQWXEOHMYQZSO-UHFFFAOYSA-N 343.536 4.893 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)CSCc2ccc(F)cc2)c(C)c1 22511553 VFGTYUPIWWAVLR-OAHLLOKOSA-N 331.456 4.553 0 40 EJAB CCc1nc(COc2ccc(C(=O)c3ccc(F)cc3)cc2)cs1 31682243 TVBLFTSJPCVTRM-UHFFFAOYSA-N 341.407 4.655 0 40 EJAB CC(C)=C[C@H]1[C@H](C(=O)Nc2ccc(N3CCCC3)cc2C)C1(C)C 32843273 OKMMAIJJXOPUCS-PKOBYXMFSA-N 326.484 4.772 0 40 EJAB CCN(Cc1nc(-c2cccs2)no1)Cc1ccc(Cl)s1 39987551 JBDPZCYEVUGSTH-UHFFFAOYSA-N 339.873 4.535 0 40 EJAB COc1ccc(NC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)c(OC)c1 40098618 USTNCPRSPVRGKV-GFCCVEGCSA-N 348.830 4.582 0 40 EJAB O=C(Nc1ccc(F)c(NC(=O)C2CCCCC2)c1)c1ccsc1 40110772 CRDPEZZHXLEBBG-UHFFFAOYSA-N 346.427 4.658 0 40 EJAB CCOc1ccccc1CNC(=O)c1ccc(-c2ccccc2)cc1 44901991 GSXGRWBSLBLZRP-UHFFFAOYSA-N 331.415 4.682 0 40 EJAB CSCc1nnc(SC(c2ccccc2)c2ccccc2)o1 58343141 MNCOYTVJUUUDFI-UHFFFAOYSA-N 328.462 4.814 0 40 EJAB O=C(Cc1c[nH]c2ccccc12)Oc1ccc(Oc2ccccn2)cc1 71837647 XRTBGIQZPGDENB-UHFFFAOYSA-N 344.370 4.503 0 40 EJAB CCc1nc(C)c(C(=O)Nc2ccc(CCC(F)(F)F)cc2)s1 75108300 ROJVWZQXSWRWJR-UHFFFAOYSA-N 342.386 4.761 0 40 EJAB O=C(O)c1ccc(Nc2ccnc3cc(Cl)cc(Cl)c23)cc1 78401487 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CC(C)CCn1c([C@H]2CC(=O)N(c3ccccc3)C2)nc2ccccc21 572345 VIFKEKJVNJUFFE-KRWDZBQOSA-N 347.462 4.603 0 40 EJAB Fc1cccc(Cl)c1[C@H]1N=C(S)NC2=C1CCc1ccccc12 1407518 OHFUGXXBNSPDOQ-KRWDZBQOSA-N 344.842 4.767 0 40 EJAB CCO[C@H](CN(CC)CC)c1ccc(CCc2ccccc2)cc1 1665697 LNHBDBUKNFBEPP-JOCHJYFZSA-N 325.496 4.891 0 40 EJAB C(=C/c1ccccc1)\CSc1nc2nccc(-c3ccccc3)n2n1 3110966 HNMHPWAJDNILDQ-JXMROGBWSA-N 344.443 4.597 0 40 EJAB O=C(OCc1ccccc1C(F)(F)F)c1ccc2ccccc2n1 3513843 WLZRRNRKXBWLSC-UHFFFAOYSA-N 331.293 4.611 0 40 EJAB CC(C)C(=O)Nc1ccc(-c2cn3c4c(sc3n2)CCCC4)cc1 4025544 GGMDCYIKIRNRKT-UHFFFAOYSA-N 339.464 4.536 0 40 EJAB CCCCOP(=O)(OCCCC)[C@H](O)c1ccc(OC)cc1 4822996 DHVSHEXZRNVCDD-INIZCTEOSA-N 330.361 4.513 0 40 EJAB C[C@@H]1CCCC[C@@H]1NC(=O)c1ncoc1-c1ccc2ccccc2c1 5002076 DQZCOJYXHSVPFF-KDOFPFPSSA-N 334.419 4.803 0 40 EJAB COCCn1cc(NC(=O)Nc2ccc(C)cc2C)c2ccccc21 5266528 GTUKTUNEEVFPSP-UHFFFAOYSA-N 337.423 4.549 0 40 EJAB C=Cn1ccnc1C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 5386598 RJBZFCXRNVBKIZ-UHFFFAOYSA-N 345.229 4.575 0 40 EJAB Cc1ccn2c(NC(=O)c3cccc(F)c3)c(-c3ccccc3)nc2c1 5888722 WTWDFXUUZQFPRB-UHFFFAOYSA-N 345.377 4.701 0 40 EJAB C[C@H]1CSC(N(C(=O)[C@H]2CC=CCC2)c2ccc(Cl)cc2)=N1 6880395 DGZBAAFPOXFBTQ-STQMWFEESA-N 334.872 4.521 0 40 EJAB Cc1c(C(=O)N(CC(F)(F)F)[C@H](C)C2CC2)oc2c(F)cccc12 7737646 OONWWFSTMNGFHA-SNVBAGLBSA-N 343.320 4.683 0 40 EJAB Fc1ccc(SCCSc2nc(-c3ccccc3F)n[nH]2)cc1 8390597 KOARLNGAUMTQAN-UHFFFAOYSA-N 349.431 4.634 0 40 EJAB COc1ccc(-c2nc(Cl)c3c4c(sc3n2)CCCC4)cc1 13534549 ZFMZYCOMJPSMMF-UHFFFAOYSA-N 330.840 4.899 0 40 EJAB Cc1ccc2c(c1)nc(SCC(=O)c1ccc(Cl)cc1)n2C 13855788 DSQRWAIAPWSMNH-UHFFFAOYSA-N 330.840 4.510 0 40 EJAB O=C(Cc1csc(-c2cccs2)n1)Nc1ccccc1Cl 14138912 OMHRUJNQAFNPMA-UHFFFAOYSA-N 334.853 4.706 0 40 EJAB COc1cc(C(=O)Nc2c(C)cc(C)cc2C)cc(Cl)c1OC 14426220 DFISPGPPDUGWQG-UHFFFAOYSA-N 333.815 4.535 0 40 EJAB CC[C@H](C)c1ccccc1O[C@H](CC)C(=O)Nc1ccc(N)cc1C 19736781 PBVZXKRMTXAWOD-IFXJQAMLSA-N 340.467 4.887 0 40 EJAB Cc1ccc(-n2ccnc2S[C@H](C)c2nc(C(C)C)no2)cc1C 27810925 GNMFHCBUHROLPI-CQSZACIVSA-N 342.468 4.849 0 40 EJAB O=C(CSc1noc(-c2ccc(Cl)cc2)n1)c1ccc(F)cc1 28527368 CZKOOANLSUJNQG-UHFFFAOYSA-N 348.786 4.504 0 40 EJAB O=C1c2cccc3cccc(c23)N1CN1CCC[C@H]1c1cccs1 32506970 OONIXWDEYLNLSE-INIZCTEOSA-N 334.444 4.656 0 40 EJAB CN(c1ccccc1)C1CCN(C(=O)c2cccc3ccccc23)CC1 40150179 KXTVUDHTRKPNDJ-UHFFFAOYSA-N 344.458 4.581 0 40 EJAB O=C(c1ccccc1)N1CCC[C@@H]1c1ccc(Oc2ccccc2)nc1 72212146 XAGOTDLAZUKJJO-HXUWFJFHSA-N 344.414 4.851 0 40 EJAB Fc1cccc(-c2cccc([C@H]3CCCN(Cc4ccncc4)C3)n2)c1 72348803 DAKRJXSWRPNPIO-IBGZPJMESA-N 347.437 4.662 0 40 EJAB Cc1ccc(Cc2cccc([C@H]3CCCN3Cc3cccnc3)n2)cc1 72357676 UPVLEXGNBMIXTI-HSZRJFAPSA-N 343.474 4.713 0 40 EJAB Cc1ccccc1C(=O)N(CCc1cccs1)Cc1ccoc1 90612285 JBQGZBPOMFDOAD-UHFFFAOYSA-N 325.433 4.535 0 40 EJAB CCc1ccc(O[C@@H](CC)C(=O)N[C@@H]2CCCc3ccccc32)cc1 113968900 NRGGPVGHECXVSP-RTWAWAEBSA-N 337.463 4.600 0 40 EJAB COc1ccc(NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)cc1 223141623 KHIMVFCARWYXJG-HNNXBMFYSA-N 327.424 4.533 0 40 EJAB CC(C)c1ccc(CCCNC(=O)CCc2ccccc2F)cc1 223593074 KUZXRIWIQOIMOC-UHFFFAOYSA-N 327.443 4.631 0 40 EJAB COc1ccc(NC(=S)N[C@H](C)c2ccc(C)cc2)cc1Cl 225468045 OYNMXKNFNZVUSL-GFCCVEGCSA-N 334.872 4.705 0 40 EJAB COC(=O)c1cc(N)ccc1Nc1ccc(Oc2ccccc2)cc1 225479990 QCPXKCGURMGMLJ-UHFFFAOYSA-N 334.375 4.591 0 40 EJAB CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(O[C@H](C)CC)c(C)c1 225690116 OGQAIXCAZSYWFX-OXQOHEQNSA-N 335.488 4.952 0 40 EJAB CCCCOc1ccc(-c2nc(O)c3c4c(sc3n2)CCC4)cc1 1505840456 DWOJRUXOLYQIMQ-UHFFFAOYSA-N 340.448 4.732 0 40 EJAB Cc1ccc(Sc2c(C)nn(C(=O)Cc3ccccc3)c2C)cc1 202896 UMISDDSSOVJCHF-UHFFFAOYSA-N 336.460 4.842 0 40 EJAB CC(C)Sc1nnc2c3c4c(sc3nc(C(C)C)n12)CCCC4 413646 ADKWFUQXKOKJHM-UHFFFAOYSA-N 346.525 4.842 0 40 EJAB c1ccc(-c2nnc(SCc3nc4ccccc4s3)o2)cc1 3280329 ZUCSWAGLGQUUKO-UHFFFAOYSA-N 325.418 4.639 0 40 EJAB O=C(Nc1nc2c(cc3c4c(cccc42)CC3)s1)c1ccc(F)cc1 3893245 DQPYRNUHSNZCRL-UHFFFAOYSA-N 348.402 4.940 0 40 EJAB O=C(Nc1nc2ccc(F)cc2s1)c1ccc2c(c1)CCCC2 4088378 WDODHMCFLOCLFH-UHFFFAOYSA-N 326.396 4.567 0 40 EJAB CC(C)=Cc1oc2c(Cl)cc(Cl)cc2c1N1CCN(C)CC1 4837271 DNOYFDFGYFDKCK-UHFFFAOYSA-N 339.266 4.915 0 40 EJAB C[C@H]1CCCCN1C(=O)c1cc2sccc2n1Cc1ccccc1 4970870 QWCKKFSWFIOLFC-HNNXBMFYSA-N 338.476 4.766 0 40 EJAB O=C1c2cccc3cccc(c23)C(=O)N1c1cc(Cl)ccc1Cl 5583060 QVFHWKWELFLMHC-UHFFFAOYSA-N 342.181 4.947 0 40 EJAB CC(=O)CCc1ccc(Oc2nc3cc(C)nn3c3ccccc23)cc1 7737836 QBCIXAAWIJYSEG-UHFFFAOYSA-N 345.402 4.505 0 40 EJAB CCN(Cc1cccs1)C(=O)c1ccc(C(=O)c2ccccc2)cc1 8073052 QLITVTGRCHAMOQ-UHFFFAOYSA-N 349.455 4.641 0 40 EJAB CC(C)(C)c1cc(NC(=O)C(c2ccccc2)c2ccccc2)on1 8769035 FPALYZQSQXWMSC-UHFFFAOYSA-N 334.419 4.743 0 40 EJAB COc1cccc(NC(=O)N(C2=NCCC2)c2ccc(C)c(C)c2)c1 10166013 WMVPQZLIOMJHRL-UHFFFAOYSA-N 337.423 4.543 0 40 EJAB CCOc1ccc2[nH]c(=O)c(CNc3cccc(Cl)c3C)cc2c1 12493187 NVWXCVBTBBZOGA-UHFFFAOYSA-N 342.826 4.501 0 40 EJAB CCCCOc1ccc(NC(=O)c2cccc(C)c2)c2cccnc12 15841054 AXPQEKJQCSFFLC-UHFFFAOYSA-N 334.419 4.974 0 40 EJAB FC(F)(F)c1ccc2c(c1)[n+](Cc1ccccc1)c1n2CCCCC1 15953201 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CCSc1nc(N)cc(Nc2ccc(Oc3ccccc3)cc2)n1 49467523 CCUORCHFJRBXRS-UHFFFAOYSA-N 338.436 4.707 0 40 EJAB Cc1ccc(C)c(OC2CCN(C(=O)Nc3ccc(F)cc3)CC2)c1 56516769 OIXVIPKBKNBHQK-UHFFFAOYSA-N 342.414 4.518 0 40 EJAB O=C(Nc1cccc(Cl)c1)c1cc(-c2cccc(Cl)c2)[nH]n1 57412586 CZFAWAMUVSSLJU-UHFFFAOYSA-N 332.190 4.636 0 40 EJAB CCCCOc1ccc(C(=O)Nc2nc(C)c(SC)s2)cc1 58098177 JPXHAEACWRSRGL-UHFFFAOYSA-N 336.482 4.605 0 40 EJAB COc1ccc(CNc2ccc(Br)c(Cl)c2)cc1 59720563 OTXPJDSFIQFLBL-UHFFFAOYSA-N 326.621 4.723 0 40 EJAB Cc1ccc(SCc2ccc(Br)cc2C(=O)O)cc1 72209167 KYPDSFMVWSVPIF-UHFFFAOYSA-N 337.238 4.748 0 40 EJAB O=C(Cc1ccccc1)c1ccc(Br)cc1C(F)(F)F 84676085 GDMKBTWIJULCDE-UHFFFAOYSA-N 343.142 4.893 0 40 EJAB C[C@@H](N)[C@H]1[C@H](C)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118930501 XIWYUYGZLTUXIP-LHJWCSHPSA-N 331.544 4.520 0 40 EJAB Cc1c(C(=O)O)c2ccccc2n1C(=O)c1cc(Cl)ccc1Cl 216954533 WRORMYLZQYDHBA-UHFFFAOYSA-N 348.185 4.643 0 40 EJAB COc1cc2ccccc2cc1C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 223221828 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340.389 4.642 0 40 EJAB CN(C(=O)C[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccc2cc[nH]c2c1 1525211395 COBNDTRRZIAYLT-JSGCOSHPSA-N 338.373 4.890 0 40 EJAB Cc1cccc(C)c1NC(=O)CSc1cc(C)c2ccccc2n1 87087 IDLUWDPSHDPUNR-UHFFFAOYSA-N 336.460 4.891 0 40 EJAB Cc1cccc(C)c1NC(=O)c1ccccc1NC(=O)c1ccccc1 130166 OWCCHUCPNAKZOP-UHFFFAOYSA-N 344.414 4.808 0 40 EJAB Ic1cccc(-c2nc3ccccc3s2)c1 353782 RTGHSBIGOYPYBD-UHFFFAOYSA-N 337.185 4.568 0 40 EJAB c1ccc(CNc2nc3ccccc3nc2NCc2ccccc2)cc1 553874 XMXWKIZCIXMQTD-UHFFFAOYSA-N 340.430 4.854 0 40 EJAB O=C(Nc1cccc(Cl)c1)Nc1cccc(Br)c1 1732155 ZYHALWSJUWKOFQ-UHFFFAOYSA-N 325.593 4.747 0 40 EJAB O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccccn1 2646055 FOEJLIYMUMBREI-UHFFFAOYSA-N 331.400 4.611 0 40 EJAB COc1ccccc1-c1nnc(SCC(C)C)n1-c1ccccc1 3401627 XXDXPCNTPNFHSA-UHFFFAOYSA-N 339.464 4.691 0 40 EJAB CCCCC(=O)Nc1c(C(=O)c2ccc(F)cc2)oc2ccccc12 3655544 HPEIUWCTIPYRKJ-UHFFFAOYSA-N 339.366 4.932 0 40 EJAB O=C1S/C(=C/c2ccccc2Cl)C(=O)N1Cc1ccccc1F 4588077 LEXLDVMGUWRUBP-OQLLNIDSSA-N 347.798 4.716 0 40 EJAB CCN(CC)c1ccc(NC(=O)Cc2c(F)cccc2Cl)cc1 6152652 BYXYELSRCSSEJL-UHFFFAOYSA-N 334.822 4.507 0 40 EJAB Cc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2n1 6153108 IRPRRCKSHKWORF-UHFFFAOYSA-N 330.309 4.814 0 40 EJAB CCc1ccc(-c2nc(SCCOc3ccc(C)cc3)n[nH]2)cc1 6225493 PNPJOLHVEKLERM-UHFFFAOYSA-N 339.464 4.514 0 40 EJAB Cc1nc(-c2ccc(F)cc2)c(CC(=O)NC2CCCCCC2)s1 7264568 BJKTUXAFAYEURU-UHFFFAOYSA-N 346.471 4.639 0 40 EJAB COc1cccc(NC(=O)N[C@@H](c2ccccc2)c2cccs2)c1 11553553 AJJLACRZMCHJAQ-SFHVURJKSA-N 338.432 4.668 0 40 EJAB c1ccc(CN2CCCCC[C@H]2c2cc(-c3cccs3)on2)nc1 12143928 NQBJNAFLBRKNPD-KRWDZBQOSA-N 339.464 4.915 0 40 EJAB C[C@@H](Nc1ncc(-c2ccco2)c(-c2ccco2)n1)c1ccccn1 12144358 VFAPDCJNDMHEOS-CYBMUJFWSA-N 332.363 4.565 0 40 EJAB Cc1ccc(SCC(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 15940655 JEWFJBSYIXLUOU-UHFFFAOYSA-N 348.471 4.712 0 40 EJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)c1ccc(C)cc1C 20112572 HEDDFWWFMRCTGS-HNAYVOBHSA-N 345.870 4.992 0 40 EJAB OCc1cccc(Nc2nc(-c3ccsc3)nc3ccccc23)c1 23200360 MUEXCDAWHYUUJW-UHFFFAOYSA-N 333.416 4.594 0 40 EJAB C[C@H](NC(=O)CSCc1cccc(Cl)c1)c1ccc(F)cc1 23488905 MHMAEBGYSRRKIC-LBPRGKRZSA-N 337.847 4.590 0 40 EJAB Cc1ccc(C)c(Sc2ccc(NC(=O)[C@@H]3CCCO3)cc2)c1 24012301 WIYMDEJEZUNRQD-KRWDZBQOSA-N 327.449 4.572 0 40 EJAB CC(C)CC(=O)Nc1ccc(NC(=O)c2c(F)cccc2Cl)cc1 26319131 KIIZPPCATOGLKJ-UHFFFAOYSA-N 348.805 4.716 0 40 EJAB O=C(Nc1ccc(-n2cccn2)cc1)c1ccc(-c2ccccc2)cc1 27917769 YNHFTJWLCHONPB-UHFFFAOYSA-N 339.398 4.792 0 40 EJAB Cc1cc(C)cc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(C)c(C)c2)c1 59351225 OXJVVDPOIHNDGW-ZWKOTPCHSA-N 325.452 4.565 0 40 EJAB O=C(Nc1ccc(-c2cc[nH]n2)cc1)N1CCC[C@H]1c1ccsc1 70037200 PIXAHGPMSYVHML-KRWDZBQOSA-N 338.436 4.507 0 40 EJAB Clc1cccc2c(-c3nc4ccc(-n5cnnc5)cc4o3)cccc12 70461313 DURDJFYXTXYFFP-UHFFFAOYSA-N 346.777 4.882 0 40 EJAB O=C(Nc1cccs1)N(CCc1cccs1)Cc1ccoc1 90612433 DIDMLRPDAMGERY-UHFFFAOYSA-N 332.450 4.679 0 40 EJAB Cc1ccccc1-n1cnnc1SCCSc1ccccc1F 95469646 YOTUFRNBUDTTJY-UHFFFAOYSA-N 345.468 4.599 0 40 EJAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1cccc(C)c1 216230925 WYCXUEJLWBMVSL-KRWDZBQOSA-N 333.884 4.836 0 40 EJAB CCOc1ccc(C(=O)N[C@H](C)c2ccc(CC)cc2)cc1Cl 222675556 MHFCOEQZYOUAJJ-CYBMUJFWSA-N 331.843 4.792 0 40 EJAB Cc1cc(C)c(C)c(O[C@H](Cc2cccc(Cl)c2C)C(=O)O)c1 225071659 FPKJIGOORHHBLN-GOSISDBHSA-N 332.827 4.648 0 40 EJAB Cc1ccc(-c2nnsc2C(=O)Nc2ccc(Cl)cc2C)cc1 225774215 LPGKXOMOYRSDOZ-UHFFFAOYSA-N 343.839 4.728 0 40 EJAB Oc1ccc(Cl)cc1-c1nc(O)c2c3c(sc2n1)CCCCC3 408990136 MTZUYILCVJWVRT-UHFFFAOYSA-N 346.839 4.692 0 40 EJAB CSc1ccccc1C(=O)NCc1cc(-c2ccco2)cs1 1775968955 ZTKCACMFTZVSNO-UHFFFAOYSA-N 329.446 4.660 0 40 EJAB CC(C)(C)C(=O)Nc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 51177 KHGSEIOORKLRMX-UHFFFAOYSA-N 330.815 4.577 0 40 EJAB COc1ccc2c(=O)c(-c3csc(-c4ccccc4)n3)coc2c1 500341 URJDMGAPLPKMBH-UHFFFAOYSA-N 335.384 4.592 0 40 EJAB CCc1ccc(-n2c(=S)[nH]c3sc4c(c3c2=O)CCCC4)cc1 586394 HVYQUPBXVZPAMW-UHFFFAOYSA-N 342.489 4.551 0 40 EJAB CC[C@H](C)N1C(=O)S/C(=C/c2cc(Cl)c(O)c(Cl)c2)C1=O 4545354 JEFMWXPMMQCTMJ-KEXZDQNZSA-N 346.235 4.534 0 40 EJAB Cc1cc(O[C@H](C)C(=O)N[C@@H]2CCCc3ccccc32)ccc1Cl 5186746 SRUYYBRPIFEHMX-AUUYWEPGSA-N 343.854 4.610 0 40 EJAB CCCN1C(=O)S/C(=C/c2cccn2-c2ccc(C)cc2C)C1=O 6629575 VCNZHFBXOKQCLK-SFQUDFHCSA-N 340.448 4.540 0 40 EJAB O=C(COc1ccc(Cl)c2cccnc12)Nc1ccc(Cl)cc1 6633517 KSKNRBMGCRSQAC-UHFFFAOYSA-N 347.201 4.559 0 40 EJAB O=C(Nc1ccccc1Oc1ccccc1)c1cnc2ccccc2n1 6647100 HLPMGEINVICVGQ-UHFFFAOYSA-N 341.370 4.674 0 40 EJAB Cc1ccc2c(CC(=O)NCC34CC5CC(CC(C5)C3)C4)coc2c1 6866989 OAFIRCCZFHJISA-UHFFFAOYSA-N 337.463 4.616 0 40 EJAB CCOc1ccc2nc(NC(=O)c3cc(C)sc3C)sc2c1 7015079 PPRWYCPVQIJZBJ-UHFFFAOYSA-N 332.450 4.626 0 40 EJAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1cc(Cl)ccc1F 7117281 ZNUPIZUSWHRDEW-JTQLQIEISA-N 348.830 4.922 0 40 EJAB O=C(Nc1ccc(Cl)cc1)N[C@@H]1CCSc2c(F)cccc21 12819116 VMPRWYURESZXNL-CQSZACIVSA-N 336.819 4.838 0 40 EJAB CCOc1ccccc1NC(=O)c1cc(C2CC2)nc2ccccc12 12899897 QQKFCQZABUSBGW-UHFFFAOYSA-N 332.403 4.763 0 40 EJAB Cc1ccc(NC(=O)C2=Cc3cc(Cl)ccc3OC=C2)c(C)c1 15838535 LMPMNBQSUTWMIZ-UHFFFAOYSA-N 325.795 4.885 0 40 EJAB CN(CC(=O)Nc1ccc(Cl)cc1Cl)[C@@H]1CCc2ccccc21 29483112 WZUJGLCWBQEIII-QGZVFWFLSA-N 349.261 4.551 0 40 EJAB CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@H](C)c1cc(C)ccc1C 30869925 XKIVLSNXQWPOCO-YLJYHZDGSA-N 325.452 4.647 0 40 EJAB CN(Cc1noc(C(C)(C)C)n1)C(c1ccccc1)c1ccccc1 45810226 WYLZPHHNUXQIKI-UHFFFAOYSA-N 335.451 4.589 0 40 EJAB CCOc1ccc(NC(=O)N(CC)Cc2ccc(Cl)s2)cc1 57992822 PVKSZUFUMVDFGS-UHFFFAOYSA-N 338.860 4.854 0 40 EJAB CC(C)Sc1ccc([C@H](C)NC(=O)c2ccncc2Cl)cc1 73077578 YRDVMDHDYILJHD-LBPRGKRZSA-N 334.872 4.727 0 40 EJAB Cc1ccc(C(C)C)c(OCC(=O)N[C@@H](C)c2ccc(C)c(C)c2)c1 78457522 DVBVDPSULPIMSU-SFHVURJKSA-N 339.479 4.991 0 40 EJAB CCc1nc(CNc2ccccc2NC(=O)c2cccs2)cs1 95409873 HCUDBXCRNRAFLV-UHFFFAOYSA-N 343.477 4.631 0 40 EJAB O=C(Nc1ccc(F)cc1)Nc1ccc(Br)cc1Cl 95535237 YVLODHPYWKGXFG-UHFFFAOYSA-N 343.583 4.886 0 40 EJAB FC(F)(F)C(F)(F)SCCCNCc1ccccc1Cl 95918352 LMSVVFHOEMWQRB-UHFFFAOYSA-N 333.753 4.708 0 40 EJAB CCOc1ccc(C(=O)N[C@@H](C)c2ccc(CC)cc2)cc1Cl 222675493 MHFCOEQZYOUAJJ-ZDUSSCGKSA-N 331.843 4.792 0 40 EJAB CCc1ccccc1O[C@H](C)C(=O)Nc1ccc2c3c(cccc13)CC2 224420539 AMMNREONPKIRFH-OAHLLOKOSA-N 345.442 4.907 0 40 EJAB O=C(CSCc1cccc2ccccc12)NCC1=CCCCC1 224953401 PPUBTFFDCIKDLP-UHFFFAOYSA-N 325.477 4.690 0 40 EJAB Cc1ccc(NC(=S)N[C@H](C)COc2ccc(C)c(C)c2)c(C)c1 225788815 ZPFQLALELMBBDA-QGZVFWFLSA-N 342.508 4.674 0 40 EJAB CCOc1ccccc1NC(=S)NC1(c2ccccc2)CCCC1 225847634 INFJUHMJNWUTLA-UHFFFAOYSA-N 340.492 4.841 0 40 EJAB Cc1cc(C)cc(CSCC(=O)NC23CC4CC(CC(C4)C2)C3)c1 408573897 DWUSAZTWQCVINW-UHFFFAOYSA-N 343.536 4.622 0 40 EJAB CN(Cc1ccccc1)c1nc(-c2cccs2)cc(C(F)(F)F)n1 213285 NRNPSFGDIYNPRW-UHFFFAOYSA-N 349.381 4.860 0 40 EJAB S=C(Nc1ccccc1Cl)N1CCCC[C@@H]1c1cccnc1 240165 QAODBNLDZKJGNJ-MRXNPFEDSA-N 331.872 4.659 0 40 EJAB biogenic COc1cc(NCCCCCCCCCCN)c2ncccc2c1 1644107 YBARINVHVQOQBS-UHFFFAOYSA-N 329.488 4.735 0 40 EJAB Cc1ccccc1NC(=O)Cc1nc(-c2ccccc2Cl)cs1 3349217 ONULVBJILQTEQE-UHFFFAOYSA-N 342.851 4.953 0 40 EJAB Cc1cc(C)c(NC(=O)c2ccc(OC(F)F)cc2)c(Cl)c1 3556457 WXROOISPWNZANH-UHFFFAOYSA-N 325.742 4.811 0 40 EJAB O=C(/C=C/c1ccccc1Cl)N(Cc1ccccc1)c1ccccn1 4082417 GKSQORAGKUWTGY-BUHFOSPRSA-N 348.833 4.982 0 40 EJAB Fc1cccc2sc(Nc3nc4cc5c(cc4s3)OCO5)nc12 4137836 JJKHOQBSMMMHLO-UHFFFAOYSA-N 345.380 4.517 0 40 EJAB aggregator COCCn1cc(NC(=O)Nc2ccc(C)c(C)c2)c2ccccc21 5266531 LEVVESQUOMNKKA-UHFFFAOYSA-N 337.423 4.549 0 40 EJAB CC(=O)c1ccc(NC(=O)COc2ccccc2-c2ccccc2)cc1 6336975 KWVUPDPCPWXYBU-UHFFFAOYSA-N 345.398 4.574 0 40 EJAB CCCOc1ccc(C(=O)N(Cc2ccccc2)c2ccccn2)cc1 6804379 BIKWIDNVUMEBSG-UHFFFAOYSA-N 346.430 4.717 0 40 EJAB COc1ccc2oc(C(=O)Nc3ccc4ccccc4n3)c(C)c2c1 8024719 SGWLPERHKVWGFH-UHFFFAOYSA-N 332.359 4.550 0 40 EJAB Cc1cc2oc(C(=O)Nc3nonc3-c3ccccc3)c(C)c2cc1C 8869486 VSOFIGMETLKVQS-UHFFFAOYSA-N 347.374 4.660 0 40 EJAB O=C(Cc1csc(-c2ccsc2)n1)Nc1ccccc1Cl 9364336 CRVQAVJTMXUKNL-UHFFFAOYSA-N 334.853 4.706 0 40 EJAB COc1ccccc1-c1noc(CNc2cccc3ccccc23)n1 11122452 PWGDYOAFMUVQFX-UHFFFAOYSA-N 331.375 4.511 0 40 EJAB C[C@H](NC(=O)COc1ccc(Cl)cc1)c1ccc(C(C)(C)C)cc1 13670947 LROGFUUABZAPEI-AWEZNQCLSA-N 345.870 4.894 0 40 EJAB Cc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1Cl 14258268 QWWSWQCSDYQVRW-UHFFFAOYSA-N 342.595 4.802 0 40 EJAB COc1ccccc1[C@H](C)NC(=O)[C@@H](C)Sc1ccc(Cl)cc1 17971739 UKHFXAKWAVDTEX-QWHCGFSZSA-N 349.883 4.707 0 40 EJAB CC[C@H](Oc1cccc2ccccc12)C(=O)N1c2ccccc2C[C@H]1C 20042039 FAXCCAMVSWEAFN-IERDGZPVSA-N 345.442 4.975 0 40 EJAB O=C(Nc1cccc(C(F)(F)F)c1)N1CC[C@@H](c2ccccc2)C1 38567375 QFOAAMPVIXDSFY-CQSZACIVSA-N 334.341 4.727 0 40 EJAB CCN(c1ccc(C(C)C)c(OC(C)C)c1)c1ccc(C(=O)O)cn1 43204076 YHELAIIDVSNOPG-UHFFFAOYSA-N 342.439 4.848 0 40 EJAB Cc1cccc([C@H]2CCCN2C(=O)Cc2coc(-c3ccccc3)n2)c1 56001453 LMQMMKLVTOUBME-HXUWFJFHSA-N 346.430 4.556 0 40 EJAB C[C@H](NC(=S)NCc1cccs1)c1ccc2ccccc2c1 57765183 OUBVSTUTQYKYNJ-ZDUSSCGKSA-N 326.490 4.627 0 40 EJAB c1ccc(Cc2nnc(CSc3ncc(-c4ccccc4)o3)o2)cc1 69659916 UAOWZQMRTCZEBX-UHFFFAOYSA-N 349.415 4.608 0 40 EJAB Cc1cc(Nc2ccc(OC(F)F)cc2)c2cccc(C(=O)O)c2n1 72242845 AKDLQDJLMHCSFU-UHFFFAOYSA-N 344.317 4.586 0 40 EJAB CC(C)(C)Oc1ccc(C(=O)c2cccc(Br)c2)cc1 95916109 VQILAANCDXHOQC-UHFFFAOYSA-N 333.225 4.857 0 40 EJAB Cc1ccccc1Cc1nnc(NC(=O)CCC2CCCCC2)s1 98086583 HQGAIFRWPPHSBP-UHFFFAOYSA-N 343.496 4.736 0 40 EJAB COc1cccc(NC(=O)c2cc3cc4ccccc4nc3s2)c1 223130579 DBTNOSGEZVGMGS-UHFFFAOYSA-N 334.400 4.710 0 40 EJAB Cc1cc(C)c([C@@H](C)NC(=O)COc2ccccc2C(C)C)cc1C 223490752 MWRUSBRUNQKWCN-GOSISDBHSA-N 339.479 4.991 0 40 EJAB Cc1cc(C)c(C(=O)NCCOc2cccc3ccccc23)cc1C 223579269 BNTIHOHLIXWITB-UHFFFAOYSA-N 333.431 4.574 0 40 EJAB CCN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(SC)cc1 224973753 VRIGBCOFUVCPPK-UHFFFAOYSA-N 349.521 4.747 0 40 EJAB Cc1cccc([C@@H]2CCCN2C(=O)CC2CC(c3ccccc3)C2)n1 225608097 OTHWWBGHEWSHFZ-XTXLOEGASA-N 334.463 4.637 0 40 EJAB COc1ccc([C@@H](C)NC(=O)c2cc(C(C)C)c(OC)cc2C)cc1 225662958 BCKVWYWJXCRRIO-OAHLLOKOSA-N 341.451 4.627 0 40 EJAB CC[C@H](C(=O)NCc1cccnc1-c1cccs1)c1ccccc1 225759285 MPQYXIUCAGPRRB-KRWDZBQOSA-N 336.460 4.620 0 40 EJAB COc1ccc2c(Cl)c(C(=O)Nc3ccc(Cl)cc3)[nH]c2c1 499212 VDDGJIFEQUWNCN-UHFFFAOYSA-N 335.190 4.736 0 40 EJAB CCSc1nc(SC)nc2sc3c(c12)C[C@](C)(CC)OC3 553387 KYRIQNWSZYSYLB-HNNXBMFYSA-N 340.539 4.767 0 40 EJAB CSc1nc2ccc(NC(=O)/C=C/c3ccc(C)o3)cc2s1 2638601 AYPKOJXVUJYVLT-SOFGYWHQSA-N 330.434 4.572 0 40 EJAB CC(C)Oc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1 3353874 GKYWNVUVIBRJHW-UHFFFAOYSA-N 345.442 4.993 0 40 EJAB O=C(CSc1nc2ccccc2s1)Nc1ccc2c(c1)CCC2 3450314 IMDREAFTADIFDJ-UHFFFAOYSA-N 340.473 4.516 0 40 EJAB CCCCc1ccc2nc(NC(=O)c3cccc(OC)c3)sc2c1 3547516 IOJLUIFCVSCSJQ-UHFFFAOYSA-N 340.448 4.900 0 40 EJAB COC1(OC)CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@@]2(C)CCC[C@@]32O)C1 3844005 LARNLKQGNRQTPJ-WGEHRRGWSA-N 336.516 4.523 0 40 EJAB C[C@H]1CCN(C(=O)CSc2ccc(F)cc2)c2ccccc2S1 4414651 OPSFAQWJTSARQL-ZDUSSCGKSA-N 347.480 4.835 0 40 EJAB CSc1nsc(SC)c1NC(=O)Nc1ccc(C)cc1 4681202 SRMRKJPIHZQHJE-UHFFFAOYSA-N 325.484 4.539 0 40 EJAB O=C(Nc1nnc(-c2cccs2)s1)c1cccc2ccccc12 5073387 IFBKSVANZFZZRH-UHFFFAOYSA-N 337.429 4.672 0 40 EJAB Cc1ccc(/C=C/C(=O)N(CC(F)(F)F)[C@@H](C)C2CC2)cc1Cl 7734646 QJGCSELPIZDJSR-ZCRIDZFUSA-N 345.792 4.851 0 40 EJAB C[C@@H](NC(=O)c1cccc(C(F)(F)F)c1)c1cc2ccccc2o1 8062424 JWBDSUZMPKKDQY-LLVKDONJSA-N 333.309 4.943 0 40 EJAB CC1CCC(NC(=O)c2ccc(C3SCCCS3)cc2)CC1 8919388 NKSZLDPEUQXXJI-UHFFFAOYSA-N 335.538 4.864 0 40 EJAB Fc1ccc(CNc2ncc(-c3ccncc3)c(-c3ccco3)n2)cc1 12338397 DALQPGWTVKJCRW-UHFFFAOYSA-N 346.365 4.550 0 40 EJAB COc1cc(OC)cc(C(=O)Nc2ccccc2-c2cccs2)c1 12894266 SDTZUSNSIJIYHE-UHFFFAOYSA-N 339.416 4.685 0 40 EJAB CC(=O)N1CCc2cc(-c3nc(Cc4ccccc4)sc3C)ccc21 14103626 GZYZSOGKULRKGC-UHFFFAOYSA-N 348.471 4.618 0 40 EJAB Cc1ccc([C@H](NC(=O)Cc2cccc(F)c2)c2cccs2)cc1 20019404 DKVPIDNBEBOOHV-FQEVSTJZSA-N 339.435 4.644 0 40 EJAB Cc1ccc(C(=O)Nc2cc(C(=O)O)c(Cl)cc2Cl)cc1C 20138746 RAQWRWYIUFSNPX-UHFFFAOYSA-N 338.190 4.561 0 40 EJAB O=C(CCc1cccs1)N[C@@H](Cc1ccccc1)c1ccccc1 25283686 BVVLLPRVUUWNRJ-FQEVSTJZSA-N 335.472 4.781 0 40 EJAB Cc1cc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)n(C)n1 28228828 ZSCWJDOFLRTDDM-UHFFFAOYSA-N 340.235 4.502 0 40 EJAB O=C(Nc1ccccc1OCC(F)(F)F)[C@@H]1CCCc2ccccc21 32760193 WQUVUOBBDIYPLH-OAHLLOKOSA-N 349.352 4.686 0 40 EJAB Cc1cccc(Oc2ccccc2NC(=O)[C@H]2Cc3ccccc3O2)c1 32768276 IQVGKMNCGLZPEP-OAQYLSRUSA-N 345.398 4.730 0 40 EJAB C[C@@H](Sc1ccccc1Cl)C(=O)Nc1ccccc1CN(C)C 48374505 GLVLLBGAURBPHW-CYBMUJFWSA-N 348.899 4.521 0 40 EJAB O=C(CN1CCC[C@H]1c1cccc(F)c1)Nc1ccc2ccccc2c1 58356871 DUONXWZGYBUXKU-NRFANRHFSA-N 348.421 4.755 0 40 EJAB CCOc1ccc([C@@H](NC(=O)OC(C)(C)C)C(C)C)cc1OCC 78574094 KUSCPENAOHDQMT-KRWDZBQOSA-N 337.460 4.706 0 40 EJAB CCc1nc(C)c(C(=O)N2CCC[C@H]2[C@H](CC)c2ccccc2)s1 83830218 QWDCWBFFAQMIDS-SJORKVTESA-N 342.508 4.812 0 40 EJAB Cc1cccc(CNCc2cc3ccccc3nc2N2CCCCC2)c1 95347333 NGEDRGOUMHEPQS-UHFFFAOYSA-N 345.490 4.823 0 40 EJAB O=C(N[C@H]1CCCc2c1[nH]c1ccc(F)cc21)c1ccc2cc[nH]c2c1 96115854 KDYUFMDRKVINLU-SFHVURJKSA-N 347.393 4.596 0 40 EJAB biogenic C[C@@H](NC(=O)c1ccc(OC2CCCC2)cc1)[C@H]1C[C@H]2CC[C@H]1C2 102600690 GDIISEFXYHACFU-TXDAXLQXSA-N 327.468 4.563 0 40 EJAB Cc1nc(C)c(C(=O)N2CCCC[C@@H](c3ccc(Cl)cc3)C2)s1 206878511 SUTILNQZLMILEN-OAHLLOKOSA-N 348.899 4.823 0 40 EJAB Cc1ccc(O[C@H](C)C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1 218970926 LTTUCFDRSPIMOO-IAGOWNOFSA-N 339.479 4.937 0 40 EJAB Cc1cccc(CSCC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)c1 223244354 KJHXSOMOHHOASO-INIZCTEOSA-N 339.504 4.594 0 40 EJAB CC(C)(Cc1ccccc1)NC(=O)CSCc1ccc(Cl)cc1 225625327 DPRGLSLSGJPBAO-UHFFFAOYSA-N 347.911 4.711 0 40 EJAB O=C(Nc1cccc2ccccc12)c1snnc1-c1ccc(F)cc1 225778103 VSRIGRADCUQHRY-UHFFFAOYSA-N 349.390 4.750 0 40 EJAB COc1cccc(NC(=S)NCCCc2ccc(C(C)C)cc2)c1 225806267 JCVTUTQVYRMSDV-UHFFFAOYSA-N 342.508 4.738 0 40 EJAB Cc1cc(C23CC4CC(CC(C4)C2)C3)ccc1NC(=O)C(F)(F)F 226303050 XLEIYPIKSHSCCP-UHFFFAOYSA-N 337.385 4.964 0 40 EJAB Cc1ccc(-n2c(C)nnc2SCc2ccccc2F)cc1C 409104960 LPHBEZJKCDZEIQ-UHFFFAOYSA-N 327.428 4.624 0 40 EJAB COc1ccc(-c2nc(CSCCc3cccnc3)cs2)cc1 568319455 GOWLERJCKSYEHE-UHFFFAOYSA-N 342.489 4.690 0 40 EJAB CCN(CC)CCOc1cc(F)ccc1Oc1ccc(Cl)cc1 585265141 HKVUTQNDVFVYJQ-UHFFFAOYSA-N 337.822 4.992 0 40 EJAB CC[C@@H](NC[C@@H](O)c1ccc(F)cc1Cl)c1ccc(Cl)cc1 1645085436 CUFUPJXREDDXBF-IAGOWNOFSA-N 342.241 4.907 0 40 EJAB Cc1ccc(S(=O)(=O)C=C(c2ccccc2)c2ccccc2)cc1 67868 KFIUDHBFIZJJTQ-UHFFFAOYSA-N 334.440 4.858 0 40 EJAB Cc1cc(-c2ccc(C)o2)c2c(N)c(C(=O)c3ccccc3)sc2n1 496063 MUHIRJVQGXWREV-UHFFFAOYSA-N 348.427 4.986 0 40 EJAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc3ccccc3c2)c1 505889 UESQICDDJJPVAS-UHFFFAOYSA-N 334.444 4.583 0 40 EJAB Clc1ccc(-n2cc(-c3nc4ccccc4o3)cn2)c(Cl)c1 1398342 QUPZJTDJFCMCJA-UHFFFAOYSA-N 330.174 4.987 0 40 EJAB CCCCCC[C@H](C)NC(=O)COc1ccc(Cl)cc1Cl 3083733 IDMBZPHEVJMMNT-LBPRGKRZSA-N 332.271 4.847 0 40 EJAB Fc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccco4)=NN32)cc1 4282029 VIBQLOPNPYCJJC-PXNSSMCTSA-N 334.350 4.661 0 40 EJAB CSc1ccc2nc(Nc3nnc(-c4cccs4)o3)sc2c1 4359838 CZKUIUDHUUNIFJ-UHFFFAOYSA-N 346.462 4.873 0 40 EJAB CC(C)(C)c1ccc(OCCCn2c(=O)sc3ccccc32)cc1 5234814 CBWRIRMQOLBIDB-UHFFFAOYSA-N 341.476 4.830 0 40 EJAB Cc1ccc(-c2csc(NC(=O)c3cccc(F)c3)n2)c(C)c1 5538806 CQMDUMFTOBIXPU-UHFFFAOYSA-N 326.396 4.818 0 40 EJAB Cc1cccc(Nc2nnc(SCCc3ccccn3)s2)c1C 7032658 XTQBRPPOHFIXDK-UHFFFAOYSA-N 342.493 4.628 0 40 EJAB O=C(CCc1ccccc1)N1CCC[C@H]1c1nc2ccccc2s1 10109611 ZDDOPYOFMQOJNO-KRWDZBQOSA-N 336.460 4.593 0 40 EJAB COc1cccc2c1O[C@@H](c1ccco1)N1N=C(c3ccccc3)C[C@H]21 10215574 ZXSMGQXTMYIIMY-UTKZUKDTSA-N 346.386 4.531 0 40 EJAB CCc1ccc(NC(=O)[C@@H](C)Nc2cc(C)c(Cl)cc2OC)cc1 13069868 UEPVXHWOSLVENT-CYBMUJFWSA-N 346.858 4.659 0 40 EJAB CCCCOc1ccc(NC(=O)Cc2ccccc2)c2cccnc12 15841172 LBAPHTQBHPGIHF-UHFFFAOYSA-N 334.419 4.595 0 40 EJAB CC[C@H](NC(=O)COc1ccc(C(C)C)cc1)c1ccc(C)cc1 20495551 OTNXYZQTIQGJPW-FQEVSTJZSA-N 325.452 4.765 0 40 EJAB C[C@@H](c1ccccc1)N(C)C(=O)CSc1nc2ccccc2s1 20822639 LIFCSPSAGCOVAY-ZDUSSCGKSA-N 342.489 4.608 0 40 EJAB CC(=O)Nc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1F 25511477 XZYKSWGQHICHEZ-UHFFFAOYSA-N 348.377 4.703 0 40 EJAB CC(=O)Nc1sc2nc(-c3ccccc3)cn2c1-c1ccccc1 28405727 NROPNICFUNUQRB-UHFFFAOYSA-N 333.416 4.688 0 40 EJAB Cc1cccc(Oc2ccccc2NC(=O)[C@@H]2Cc3ccccc3O2)c1 32768275 IQVGKMNCGLZPEP-NRFANRHFSA-N 345.398 4.730 0 40 EJAB Cc1cccc(Nc2cccc([C@@H]3CCCN3Cc3ccccc3)n2)n1 72375101 DKQYUHVMEFUZNT-FQEVSTJZSA-N 344.462 4.866 0 40 EJAB Cc1nc(C(=O)Nc2cccc(CO[C@@H]3CCC[C@H](C)C3)c2)cs1 84271995 UNAYUGMZJJQLJR-SUMWQHHRSA-N 344.480 4.799 0 40 EJAB C[C@@H](NC(=O)/C=C/c1ccc(Cl)cc1Cl)[C@@H]1C[C@@H]2CC[C@@H]1C2 102963495 LYTBYJYOGOTVFB-QXRRWCAZSA-N 338.278 4.948 0 40 EJAB COc1ccc([C@H]2CCCCN(C(=O)c3cccc(Cl)c3)C2)cc1 208003191 PBXAKSXNCFYJQP-KRWDZBQOSA-N 343.854 4.759 0 40 EJAB Cc1ccc(CSCCNC(=O)c2ccc3c(c2)CCCC3)cc1 225625627 GZMWYUIGSOPIFO-UHFFFAOYSA-N 339.504 4.537 0 40 EJAB Cc1ccccc1[C@@H](C)NC(=S)Nc1ccc(OC(C)C)cc1 225754522 UZTBJQDRRVTKIF-OAHLLOKOSA-N 328.481 4.830 0 40 EJAB CCOc1ccc(-n2c(C)nnc2SCc2ccc(C)cc2)cc1 409100762 WNYSKSWGNQQSDT-UHFFFAOYSA-N 339.464 4.575 0 40 EJAB Cc1cc(NCc2ccc(-c3ccc(F)cc3)s2)ccc1C(N)=O 577115245 MXKPBXLSNRUCTJ-UHFFFAOYSA-N 340.423 4.574 0 40 EJAB O=C(NCCc1ccc(-c2cccs2)s1)c1cccc(F)c1 1889279044 GHNODJQBSUMUFS-UHFFFAOYSA-N 331.437 4.588 0 40 EJAB Cc1cccc(OCc2nnc(-c3ccc(Cl)cc3Cl)o2)c1 93510 PWPUTXMKJQBMSF-UHFFFAOYSA-N 335.190 4.931 0 40 EJAB Cc1ccc(C(=O)N2N=C(c3ccccc3)C[C@@H]2c2ccco2)cc1 547327 DYIBOCRQIJQTTP-LJQANCHMSA-N 330.387 4.580 0 40 EJAB O=C(Nc1ccccc1N1CCCC1)c1ccc(Cl)cc1Cl 572060 PVMDJOVYGCDIPX-UHFFFAOYSA-N 335.234 4.846 0 40 EJAB O=C1Nc2ccccc2/C1=C/c1ccc(OCc2ccc(F)cc2)cc1 574875 NKDPFIAAPBLOMV-MOSHPQCFSA-N 345.373 4.897 0 40 EJAB CCCCOc1ccc2c3c(c(=O)oc2c1OCCCC)CCC3 1797595 GXXNBVMHVBIBPL-UHFFFAOYSA-N 330.424 4.640 0 40 EJAB O=C(NCCSc1ccccc1)c1ccc(Cl)c(Cl)c1 3050337 LDKKLFRSWHLLQF-UHFFFAOYSA-N 326.248 4.516 0 40 EJAB Cc1ccc(NC(=O)c2nnn(-c3ccc(C(C)C)cc3)c2C)cc1C 4484193 BIPGDMZLMJLVMY-UHFFFAOYSA-N 348.450 4.568 0 40 EJAB C[C@H](OC(=O)c1sc2ccccc2c1Cl)C(=O)c1ccccc1 6260227 ZPKPSGZMLZWQJC-NSHDSACASA-N 344.819 4.983 0 40 EJAB Cc1cc(/C=C(\C#N)c2ccccc2)c(C)n1-c1ccccc1C(=O)O 6962276 SKYXJYYVRKZROG-CPNJWEJPSA-N 342.398 4.857 0 40 EJAB Cc1ccc(CSCCNC(=S)Nc2cccc(C)c2)cc1 7369174 MNMZVWYUXWGINV-UHFFFAOYSA-N 330.522 4.523 0 40 EJAB CCOc1cc(C(=O)O)cc(Cl)c1OCc1ccc(Cl)cc1 7603922 NWLIZYAECDDHKR-UHFFFAOYSA-N 341.190 4.669 0 40 EJAB Cc1cc(/C=C/C(=O)N2CC=C(c3ccccc3)CC2)c(C)n1C1CC1 8156112 LYUCSHGBIZYIOE-DHZHZOJOSA-N 346.474 4.769 0 40 EJAB Cc1cc(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)no1 9204151 VSABEFACSIRFJQ-UHFFFAOYSA-N 335.388 4.512 0 40 EJAB O=C(Nc1ccccc1OC(F)(F)F)c1c(F)cccc1Cl 10030316 UQHMFGHHQWDFSA-UHFFFAOYSA-N 333.668 4.630 0 40 EJAB CC[C@H](O)c1nc2ccccc2n1CCCOc1ccc(C)c(C)c1 12418921 VIOPWJMWJCJPCU-FQEVSTJZSA-N 338.451 4.566 0 40 EJAB Cc1nc2ccccc2nc1SCc1cn2cc(Cl)ccc2n1 12600386 KLSZBPZLGHEZNV-UHFFFAOYSA-N 340.839 4.532 0 40 EJAB CSc1ccccc1NC(=O)[C@@H](C)Oc1ccc2ccccc2c1 13708591 SBRDAWCJMMQYMQ-CQSZACIVSA-N 337.444 4.968 0 40 EJAB CCCCc1ccc(NC(=S)Nc2ccc3c(c2)OCCO3)cc1 13790737 IJNCNOGROSZYDT-UHFFFAOYSA-N 342.464 4.609 0 40 EJAB CC[C@@H](NC(=S)Nc1ccc(Br)cc1)c1ccccc1 13931522 NSSHHOGCWGOHLT-OAHLLOKOSA-N 349.297 4.887 0 40 EJAB O=C(NCc1ccc(-c2nc3ccccc3s2)o1)c1cccs1 14249237 DRQIINJZYZUKEZ-UHFFFAOYSA-N 340.429 4.548 0 40 EJAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)cc1F 14287434 KJGFAJIUXJPEAW-UHFFFAOYSA-N 333.668 4.630 0 40 EJAB c1cnc2[nH]c([C@@H]3CCCO3)c(CN3CCC[C@@H]4CCCC[C@@H]43)c2c1 19345169 KWOGBUGUEBNTRS-SNRMKQJTSA-N 339.483 4.569 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)CCCOc2ccc(Cl)cc2)cc1 20482809 JAQRKDNWBSDONH-OAHLLOKOSA-N 331.843 4.685 0 40 EJAB Cc1ccc(Nc2nn(-c3ccccc3)c3c2C(=O)C[C@@H](C)C3)c(C)c1 20671907 BYSIULDUQLBBCA-HNNXBMFYSA-N 345.446 4.998 0 40 EJAB O=C(NCC1(c2ccccc2)CC1)C(c1ccccc1)c1ccccc1 21557630 ZPHUBULTISRYIP-UHFFFAOYSA-N 341.454 4.667 0 40 EJAB CCSc1ccccc1NC(=O)COc1cc(C)cc(C)c1C 22531706 KOEIZJVCQWSIAB-UHFFFAOYSA-N 329.465 4.741 0 40 EJAB C[C@H](NCc1cnn(Cc2ccccc2)c1)c1cccc2ccccc12 24082713 UFWYSGWVRTWTQO-SFHVURJKSA-N 341.458 4.935 0 40 EJAB O=C(N[C@@H](c1ccc2c(c1)CCCC2)c1cccs1)c1cccnc1 24277704 MXPPSMFGZLAPOM-FQEVSTJZSA-N 348.471 4.541 0 40 EJAB O=c1c(C(F)(F)F)cccn1Cc1sc2ccccc2c1Cl 27064661 HGWGTXRUMQEMLP-UHFFFAOYSA-N 343.757 4.784 0 40 EJAB CN(CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)N=O 33982135 AMFPKCLSNGLBNR-MRXNPFEDSA-N 338.329 4.829 0 40 EJAB Cc1noc2nc(-c3cccs3)cc(C(=O)N(C)c3ccccc3)c12 45629964 LWRKTOXNTLYMMS-UHFFFAOYSA-N 349.415 4.536 0 40 EJAB Nc1cc(Nc2ccc(Cl)c(Cl)c2)nc(-c2ccccc2F)n1 49467839 YLVLXBOWVVXTNK-UHFFFAOYSA-N 349.196 4.915 0 40 EJAB COc1ccc2[nH]cc([C@H]3CCN(Cc4ccc(Cl)cc4)C3)c2c1 57744995 DIEHEYPUACOTSS-HNNXBMFYSA-N 340.854 4.819 0 40 EJAB CCn1c(CN2CCC[C@@H]2c2ccccc2C)nc2cc(F)ccc21 58296536 XROXYMNMHRWABA-LJQANCHMSA-N 337.442 4.841 0 40 EJAB O=c1nc(Nc2ccc(Oc3ccccc3)cc2)oc2ccccc12 95864912 MSAPUZCOVWXQGJ-UHFFFAOYSA-N 330.343 4.724 0 40 EJAB CCCCC[C@H](CCCP(=O)(OC)OC)O[C@H]1CCCCO1 196223639 WEJXBWLOAWUGSA-CVEARBPZSA-N 336.409 4.745 0 40 EJAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(C)c(C)c1)c1ccc(C)c(C)c1 219519494 XNSOGNWLGFGLIR-WIYYLYMNSA-N 339.479 4.955 0 40 EJAB Cc1ccc(CCCNC(=O)CCc2cccc3ccccc23)cc1 222672753 SEBHKPDZIQFPCC-UHFFFAOYSA-N 331.459 4.830 0 40 EJAB O=C(O)[C@H](Cc1cccc(Cl)c1Cl)Oc1ccc(Cl)cc1 225082447 IKHFFGZUYREMAK-ZDUSSCGKSA-N 345.609 4.722 0 40 EJAB COc1ccc(CCC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1 225314795 XXMBFHCAPLRGGF-MRXNPFEDSA-N 339.479 4.803 0 40 EJAB COc1ccc(NC(=S)N[C@H](CC(C)C)c2ccccc2)cc1 225492118 LFNWZOJDIZOZNY-GOSISDBHSA-N 328.481 4.769 0 40 EJAB O=C(Nc1cccc(Nc2ccccc2)c1)c1cc(-c2ccco2)[nH]n1 511487216 KUSSLMNPNAPJRC-UHFFFAOYSA-N 344.374 4.666 0 40 EJAB CC(C)c1ccc(/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)cc1 69495 BRSDOSAJBBRXQZ-BOPFTXTBSA-N 325.795 4.808 0 40 EJAB Cc1cc(C)n(-c2ncnc3scc(-c4ccccc4Cl)c23)n1 351624 NPYZIUYATCFNEI-UHFFFAOYSA-N 340.839 4.814 0 40 EJAB CC(C)(C)c1ccc(CN2CCSc3sccc3C2=O)cc1 1403632 HQEDUFWVXBEZIB-UHFFFAOYSA-N 331.506 4.794 0 40 EJAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1cccc(Cl)c1 3155569 FWEDHSXYCPGVLP-UHFFFAOYSA-N 330.598 4.908 0 40 EJAB Cc1ccc(NC(=O)/C=C/c2ccc(OC(F)F)cc2)c(Cl)c1 3331997 URUUFEUYVXDZRP-WEVVVXLNSA-N 337.753 4.902 0 40 EJAB CCc1ccc(-c2csc(NC(=O)[C@@H]3C[C@H]4CC[C@@H]3C4)n2)cc1 4614054 AHHKLTZSMVVPOJ-NUEKZKHPSA-N 326.465 4.747 0 40 EJAB O=C(CSc1ccc(Cl)cc1)Nc1nc2ccccc2s1 6283604 HZTTZDZKVBOAOE-UHFFFAOYSA-N 334.853 4.681 0 40 EJAB Clc1ccc(-c2ccc(CNC[C@@H]3CCCO3)o2)c(Cl)c1 7538918 PLXZZYRPDMAFKU-LBPRGKRZSA-N 326.223 4.522 0 40 EJAB O=C(Nc1ccc(OC(F)(F)F)cc1)C1(c2ccccc2)CCC1 8113496 GGDPPRZEZFRSQE-UHFFFAOYSA-N 335.325 4.646 0 40 EJAB C[C@@H]1CCCN(C(=O)c2cn(Cc3ccccc3)c3ccccc23)C1 12545341 ICIBOBHIYAUWRC-QGZVFWFLSA-N 332.447 4.562 0 40 EJAB O=C(O)c1cccc(OCc2ccccc2)c1OCc1ccccc1 13481423 GYEYPHBTKAEWHH-UHFFFAOYSA-N 334.371 4.543 0 40 EJAB Cc1cc(C)c2nc3c(cc2c1)CN(Cc1ccccc1)C[C@H](C)O3 13562933 UKEPZOZSQMORDS-KRWDZBQOSA-N 332.447 4.635 0 40 EJAB Cc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)n(-c2ccccc2)n1 13701167 WQRWCVCXKVRGKT-UHFFFAOYSA-N 333.435 4.731 0 40 EJAB CCCC(=O)Nc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1C 14258106 AMMQDMXUBAGKPF-UHFFFAOYSA-N 336.439 4.591 0 40 EJAB Cc1ccnc(S[C@@H](C)C(=O)n2c3ccccc3c3ccccc32)n1 14608352 VJXGLRWADGDGAW-AWEZNQCLSA-N 347.443 4.714 0 40 EJAB O=C(Nc1c(C(=O)c2ccco2)oc2ccccc12)c1ccccc1 14863256 FIIRYQDKORKOPR-UHFFFAOYSA-N 331.327 4.509 0 40 EJAB COc1ccc(O[C@H](C)CNc2ccc(Cl)c(Cl)c2)cc1 19737735 IWFMYBNCIWHDOV-LLVKDONJSA-N 326.223 4.881 0 40 EJAB C[C@@H](c1ccccc1)N1CC[C@H]1C(O)(c1ccccc1)c1ccccc1 19800875 SGRXPZXZFVLCLR-CVDCTZTESA-N 343.470 4.758 0 40 EJAB CC[C@H](NC(=O)[C@H](C)SCc1ccccc1)c1ccc(OC)cc1 20484407 PZLZYIPZPHJEDY-KXBFYZLASA-N 343.492 4.584 0 40 EJAB C[C@@H](SCc1ccccc1)C(=O)N(C)Cc1ccc(Cl)cc1 22513995 UERIXXZSHQTEII-CQSZACIVSA-N 333.884 4.620 0 40 EJAB CC(C)=CC(=O)N(C)Cc1ccc(-c2ccc(Br)cc2)o1 32678723 RNZNORZAOCJQIF-UHFFFAOYSA-N 348.240 4.634 0 40 EJAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1ccccc1OC(F)F 32754296 JXRRBCNOJWRXIZ-LBPRGKRZSA-N 345.345 4.867 0 40 EJAB Nc1nc2sc3c(c2cc1C(=O)c1ccccc1)CCCCCC3 36370204 WKZZHDRLXOBDGR-UHFFFAOYSA-N 336.460 4.769 0 40 EJAB OCc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1Cl 41127198 RWSCNGHWELKJAU-UHFFFAOYSA-N 328.582 4.947 0 40 EJAB O=C(CSc1ccccc1)Nc1ccc(OC2CCCC2)cc1 58666281 JRAPBNOVKVWWDP-UHFFFAOYSA-N 327.449 4.739 0 40 EJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccc(C)cc1C 59351655 ZKWNYJVVGSPDHV-KXBFYZLASA-N 345.870 4.992 0 40 EJAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(C)cc1C)c1ccc(C)cc1 59351834 ONMAEWBRNWCCSL-IEBWSBKVSA-N 325.452 4.647 0 40 EJAB C[C@H](CCc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1 67192546 FGOGJATTXCXWEC-CYBMUJFWSA-N 326.827 4.572 0 40 EJAB COc1ccccc1NC(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 80343959 XDWMESPLJRKDFP-UONOGXRCSA-N 336.218 4.744 0 40 EJAB Cc1cccc(C2(CNC(=O)[C@H]3C[C@H]3c3cccnc3)CCCCC2)c1 84210685 POUOZMVNVPUUIS-SFTDATJTSA-N 348.490 4.512 0 40 EJAB Cc1nnc([C@@H](C)S[C@H](C)c2ccccc2Br)o1 95412901 VMTLCEWCDNUSDX-RKDXNWHRSA-N 327.247 4.696 0 40 EJAB O=C(NCc1ccccc1-c1ccsc1)c1cccc(Cl)c1 96122935 VNRYHYOBJCFFSR-UHFFFAOYSA-N 327.836 4.999 0 40 EJAB O=C(Nc1ccc(Cl)cc1)c1cc(-c2ccc(Cl)cc2)on1 96653676 BKKVGRAYAAVYLK-UHFFFAOYSA-N 333.174 4.901 0 40 EJAB c1ccc([C@@H]2C[C@@]34OCCN3[C@@]3(CCCC[C@H]23)Oc2ccccc24)cc1 100742404 KMZWVRIIHGSMOD-YDLSIGKMSA-N 347.458 4.638 0 40 EJAB biogenic CCc1ccc(-c2csc(NC(=O)[C@@H]3C[C@@H]4CC[C@@H]3C4)n2)cc1 102089100 AHHKLTZSMVVPOJ-FVQBIDKESA-N 326.465 4.747 0 40 EJAB CCc1ccc([C@@H](C)NC(=O)CSCc2cc(C)cc(C)c2)cc1 222890771 ZPMKYUOJNAZLTM-QGZVFWFLSA-N 341.520 4.976 0 40 EJAB CCCCNC(=O)c1ccc(OCC)c(COc2ccc(C)cc2)c1 224463594 PCDXITIXBGEDSV-UHFFFAOYSA-N 341.451 4.503 0 40 EJAB CC[C@@H](NC(=O)Cc1ccc(Cl)cc1F)c1ccc(C)c(C)c1 224989169 YORXGONAYPTIHD-GOSISDBHSA-N 333.834 4.906 0 40 EJAB CCc1ccc(CC)c(CNC(=O)COc2ccccc2C(C)C)c1 225690081 XKQGWRCOUGLDRU-UHFFFAOYSA-N 339.479 4.630 0 40 EJAB CCN1C(=O)/C(=C\c2cc(Cl)cc(Cl)c2OC)c2ccccc21 409111922 AFCCVLRWCVGPKM-ZROIWOOFSA-N 348.229 4.909 0 40 EJAB CCc1c(-c2ccccc2)[nH]c2cc(Br)ccc2c1=O 685938691 RGKKVMJCUXTJQW-UHFFFAOYSA-N 328.209 4.520 0 40 EJAB CCOc1ccccc1C(=O)Nc1ccc(-c2csc(C)n2)cc1 387114 HTKJMQXCUDCICE-UHFFFAOYSA-N 338.432 4.770 0 40 EJAB O=C(c1ccccc1)N1N=C(c2cccs2)C[C@@H]1c1cccs1 522061 WIEIGQJCHVWDFQ-OAHLLOKOSA-N 338.457 4.801 0 40 EJAB C[C@@H]1CCc2c(sc3ncnc(OCc4ccc(F)cc4)c23)C1 2640047 XKTYNLFXXMDHAM-LLVKDONJSA-N 328.412 4.534 0 40 EJAB O=C(Cc1c(Cl)cccc1Cl)NCCc1ccc(Cl)cc1 3236871 NGWNNSMOIRZDOB-UHFFFAOYSA-N 342.653 4.548 0 40 EJAB aggregator COc1ccc(C(=O)Oc2ccccc2Cc2ccccc2)cc1OC 3278904 KYROEEGJDBSUIU-UHFFFAOYSA-N 348.398 4.514 0 40 EJAB Cc1ccc(/C=C2\N=C(c3ccc(C(C)(C)C)cc3)OC2=O)s1 3321530 RZIWCIKYWZQIAW-WJDWOHSUSA-N 325.433 4.699 0 40 EJAB O=c1c2ccccc2nc(/C=C/c2ccco2)n1-c1ccccc1Cl 4837259 IRJSWPXLSLGOAK-VAWYXSNFSA-N 348.789 4.803 0 40 EJAB CC(C)CN1[C@H]2CCC[C@@H]1CC(NC(=O)Nc1cccc(Cl)c1)C2 4886497 CDFCWSJLRFSQNX-AYHJJNSGSA-N 349.906 4.503 0 40 EJAB C[C@H](Sc1ccc2ccccc2c1)C(=O)N(C)Cc1ccccc1 4886536 IJWMPZNFORMVRA-INIZCTEOSA-N 335.472 4.979 0 40 EJAB Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cccs2)o1 4927660 BLHKCRGTBCQZJH-HNAYVOBHSA-N 336.416 4.892 0 40 EJAB CCCCSc1nnc(COc2ccccc2)n1-c1ccccc1 4959761 HRUOKBSLKGERGU-UHFFFAOYSA-N 339.464 4.739 0 40 EJAB COC(=O)[C@]1(C)CCC[C@@]2(C)c3ccc(C(C)C)cc3C(=O)C[C@@H]12 8579816 URPBIQPJABGDJD-HLAWJBBLSA-N 328.452 4.634 0 40 EJAB biogenic CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(C(F)(F)F)cc1 20039004 WYQVWZCBRVAUPA-HNNXBMFYSA-N 337.341 4.810 0 40 EJAB Cc1cccc(C)c1NC(=O)c1cccnc1Nc1ccc(F)cc1 22073082 GXKCMMJBMKXQOQ-UHFFFAOYSA-N 335.382 4.833 0 40 EJAB CCc1ccccc1O[C@@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1 30758586 LHZMASSOFDGZCG-NSHDSACASA-N 338.234 4.962 0 40 EJAB OC1=Nc2c(ncn2-c2ccc(F)c(Cl)c2)[C@H](c2cccs2)C1 36357725 SXLLTHLQLNHGNM-JTQLQIEISA-N 347.802 4.850 0 40 EJAB O=C(O)/C=C/c1cc(Br)c(-c2ccc(F)c(Cl)c2)o1 40544599 IFFMRWMGCZVHJR-DUXPYHPUSA-N 345.551 4.599 0 40 EJAB CC(C)(C)c1ccc(OCC[C@H]2CCCCN2)c(Br)c1 42770562 XTLHBIPJOKUGMR-CQSZACIVSA-N 340.305 4.658 0 40 EJAB Cc1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2)cc1Cl 64580985 BQWVEHQIETZEES-UHFFFAOYSA-N 346.217 4.740 0 40 EJAB Cc1[nH]c2c(C(=O)N(C)Cc3ccc([C@@H]4C[C@@H]4C)o3)cccc2c1C 65537268 GTHHBUBZKSBMQU-KPZWWZAWSA-N 336.435 4.773 0 40 EJAB O=C(Cc1csc(-c2cccs2)n1)Nc1cccc2[nH]ccc12 95474714 FXCXGEZLAXTQGL-UHFFFAOYSA-N 339.445 4.534 0 40 EJAB Cc1ccc(C)c(O[C@H](C)C(=O)N[C@@H](C)c2cc(C)ccc2C)c1 113945958 UDQOPOUTJFJBCC-ZWKOTPCHSA-N 325.452 4.565 0 40 EJAB CCc1ccc(O[C@H](CC)C(=O)N[C@H](C)c2ccc(C)cc2)cc1 113968965 HJZMQFMTLXFFSP-OXQOHEQNSA-N 325.452 4.592 0 40 EJAB Cc1ccc(S[C@H](C)C(=O)NCc2cccc3ccccc23)cc1 222829348 XELSODLKJCOYAI-MRXNPFEDSA-N 335.472 4.945 0 40 EJAB CCOC1(C(=O)Nc2ccc(OCC(C)C)cc2)CCC(C)CC1 225719685 VGKFKVZDOGQSOU-UHFFFAOYSA-N 333.472 4.645 0 40 EJAB CCCc1ccc(C(=O)NCc2ccnc(-c3ccsc3)c2)cc1 225754601 WCFXBVUYVLAOQO-UHFFFAOYSA-N 336.460 4.693 0 40 EJAB COc1ccc(CCC(=O)Nc2cccc(Cl)c2Cl)cc1C 225810388 ZNGKMSNPAPLKPV-UHFFFAOYSA-N 338.234 4.882 0 40 EJAB C[C@@H](NCc1ccc2occc2c1)c1cnn(Cc2ccccc2)c1 512057770 LLOIQUQQNLRSPQ-MRXNPFEDSA-N 331.419 4.528 0 40 EJAB O=C1CS[C@@H](c2cccc(Cl)c2Cl)N1C1CCCCC1 180036 LWHCGMNAHOBEJN-HNNXBMFYSA-N 330.280 4.900 0 40 EJAB O=C(N[C@H](c1ccccc1)C(Cl)(Cl)Cl)Oc1ccccc1 361133 GGXQDFWWZMJNNS-CYBMUJFWSA-N 344.625 4.887 0 40 EJAB Clc1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)n3ncnc3N2)cc1 407820 WNVAJAMIIYZLMR-HOTGVXAUSA-N 345.233 4.731 0 40 EJAB Cc1cc(C)c2cc(C)c(SCC(=O)Nc3ccccc3)nc2c1 419211 IIPZZSGQFXYAEZ-UHFFFAOYSA-N 336.460 4.891 0 40 EJAB FC(F)(F)c1cccc(CNc2ncnc3cc(Cl)ccc23)c1 1405672 MJDQSXPVMHGUFD-UHFFFAOYSA-N 337.732 4.914 0 40 EJAB C[C@@H](Cc1cccs1)NC(=O)Nc1ccc(Cl)c(Cl)c1 3211526 SUTXKQMQDNIBSV-VIFPVBQESA-N 329.252 4.808 0 40 EJAB CC(=O)c1ccc(NC(=O)c2ccccc2Oc2ccccc2)cc1 3359450 IAUSFONPDYEYDI-UHFFFAOYSA-N 331.371 4.934 0 40 EJAB COc1cc2c(cc1NC(=O)COc1ccccc1)oc1ccccc12 3515473 YAJWMOJNVVXCOK-UHFFFAOYSA-N 347.370 4.612 0 40 EJAB O=C1OC(c2ccccc2)=N/C1=C\c1cccc(Oc2ccccc2)c1 4578570 LMLPPLSCDUSBPH-HKWRFOASSA-N 341.366 4.823 0 40 EJAB O=C(O)c1ccc(/C=C/c2nc(-c3ccc(F)cc3)cs2)cc1 6598376 SKEWXRXWALEMEB-XCVCLJGOSA-N 325.364 4.818 0 40 EJAB Cc1cccc(NC(=O)CCc2c(C)nn(-c3ccccc3)c2C)c1C 8270394 PNLGCSPCGFPOQL-UHFFFAOYSA-N 347.462 4.677 0 40 EJAB C[C@@H](NC(=O)Cc1c[nH]c2ccccc12)c1ccc2ccccc2c1 8748574 FRSOXGNHNDLXOI-OAHLLOKOSA-N 328.415 4.741 0 40 EJAB CC(C)c1ccc(CCNC(=O)N(C)[C@@H](C)c2ccc(F)cc2)cc1 9501727 QPDHNEUPSBVOPS-INIZCTEOSA-N 342.458 4.894 0 40 EJAB CN(Cc1ccccc1)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 9757989 DYCBOGJUSOJPNB-GOSISDBHSA-N 328.843 4.633 0 40 EJAB CSc1ccccc1C(=O)Nc1ccc(OCC(F)(F)F)cc1 10979259 SQMTZCUMVHAXKC-UHFFFAOYSA-N 341.354 4.602 0 40 EJAB Cc1cc(C)c(C)c(S(=O)(=O)Nc2cccc(Cl)c2C)c1C 11613719 SQWXKXKZEMIONQ-UHFFFAOYSA-N 337.872 4.683 0 40 EJAB Cc1cccn2c(NC(=O)c3ccsc3)c(-c3ccccc3)nc12 12520760 OZIYGGOMZTUMGL-UHFFFAOYSA-N 333.416 4.624 0 40 EJAB Cc1ccc(Oc2ccccc2NC(=O)c2ccc3[nH]cnc3c2)cc1 12641012 GJANXONEWWIFFM-UHFFFAOYSA-N 343.386 4.916 0 40 EJAB CCc1ccc2oc(-c3cc(NC(=O)C(C)(C)C)ccc3O)nc2c1 12651618 BLPZZBQATJMIIM-UHFFFAOYSA-N 338.407 4.747 0 40 EJAB O=C(Nc1ccccc1O)c1ccccc1SCc1ccco1 12755190 TXVGMIGCJNWFSG-UHFFFAOYSA-N 325.389 4.530 0 40 EJAB COc1ccc(-c2nc(-c3cc(OC)ccc3OC)cs2)cc1 14229046 KXDQZSKYKHJWHE-UHFFFAOYSA-N 327.405 4.503 0 40 EJAB O=C(Cc1csc(Nc2cccc(Cl)c2)n1)NC1CCCCC1 16850353 WKPJZNDIHKSAGY-UHFFFAOYSA-N 349.887 4.532 0 40 EJAB Cc1cc(C)cc(C(=O)Nc2cc(-c3ccc(CO)o3)ccc2C)c1 20138818 SBXSTQCEQXVJJD-UHFFFAOYSA-N 335.403 4.616 0 40 EJAB Cc1cc(NC(=O)c2cc3ccccc3o2)ccc1-c1ccc(CO)o1 20139674 GZTBJXYOHQGVKD-UHFFFAOYSA-N 347.370 4.746 0 40 EJAB O=C(COc1ccc(F)cc1F)Nc1ccccc1-c1cccs1 24877592 HEZWCUFLLXCTMY-UHFFFAOYSA-N 345.370 4.711 0 40 EJAB CCCCCOc1ccc(C(=O)Nc2onc3c2C[C@H](C)CC3)cc1 27794541 FOAWSMINMCTBSR-CQSZACIVSA-N 342.439 4.621 0 40 EJAB CCOc1cccc2cc([C@@H](C)NC(=O)Nc3ccccc3F)oc12 32751225 AQHVJODKHPLBFW-GFCCVEGCSA-N 342.370 4.853 0 40 EJAB COC(=O)Cc1cccc(-c2nc3cc(-c4ccccc4)ccc3o2)c1 41127430 HAAKKFXFUIEOSP-UHFFFAOYSA-N 343.382 4.877 0 40 EJAB COc1ccc(-c2cnc(CN3CCC[C@H]4CCCC[C@@H]43)o2)cc1 65448558 HULCOLKOTPWQNK-QAPCUYQASA-N 326.440 4.505 0 40 EJAB Cc1nn(C(F)F)c(C)c1NC(=O)c1ccc(-c2ccc(F)cc2)o1 69700239 OJCONVXQTHCSPX-UHFFFAOYSA-N 349.312 4.546 0 40 EJAB COc1ccc(NC(=S)Nc2cccc(SC)c2)cc1Cl 71761397 ZHSNBPYQWPNYEN-UHFFFAOYSA-N 338.885 4.879 0 40 EJAB Oc1cccc(CNC[C@@H](c2cccs2)c2c[nH]c3ccccc23)c1 71831321 CDPXSKLJYAPQGV-LJQANCHMSA-N 348.471 4.857 0 40 EJAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N[C@@H](C)c1ccc(C)cc1 113970447 WDUUUDQORWUHTD-PXNSSMCTSA-N 325.452 4.647 0 40 EJAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(C)cc1)c1ccc(C)cc1C 218973857 HZOLVXJEURFSQF-YLJYHZDGSA-N 325.452 4.647 0 40 EJAB CCc1ccc([C@H](C)NC(=O)c2cc3ccccc3cc2OC)cc1 222639355 ZSBKPBFMYTXQDD-HNNXBMFYSA-N 333.431 4.902 0 40 EJAB CCOc1cccc(NC(=S)N[C@@H](CC)c2ccc(OC)cc2)c1 225489247 QTKYHLDMTWMKDN-SFHVURJKSA-N 344.480 4.532 0 40 EJAB COc1ccccc1NC(=O)N[C@@H](C)CC(C)(C)c1ccccc1 225769315 ZPUZAKQJPUBDNF-HNNXBMFYSA-N 326.440 4.573 0 40 EJAB O=C1Nc2ccccc2/C1=C/c1ccc(OCc2ccccc2F)cc1 409116773 LGNSNBPXQWMUSM-UYRXBGFRSA-N 345.373 4.897 0 40 EJAB C[C@@H]1CC(=O)N(C)c2ccc(N[C@H](C)c3c(F)cccc3F)cc21 629273315 RZOSYGAXZULITP-VXGBXAGGSA-N 330.378 4.608 0 40 EJAB O=C(Nc1nccs1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 351980 FEKSTUXCBFDBTA-UHFFFAOYSA-N 338.310 4.674 0 40 EJAB Cc1cc(O[C@H]2CCCCC2=O)c2c(-c3ccccc3)cc(=O)oc2c1 407878 DBFWYIJIFCCVBI-SFHVURJKSA-N 348.398 4.659 0 40 EJAB Cc1cc(OCC(=O)c2ccc(Br)cc2)ccc1Cl 571003 VTGDQQGLWKAAQE-UHFFFAOYSA-N 339.616 4.673 0 40 EJAB O=C(O)CCCc1c(-c2ccccn2)[nH]c2cc(Cl)cc(Cl)c12 1020478 FURFHWYYOMVTLP-UHFFFAOYSA-N 349.217 4.944 0 40 EJAB Cc1noc(C)c1COC(=O)/C(=C/c1cccs1)c1cccs1 2660183 ZPMDCJNYKCZNLX-NTEUORMPSA-N 345.445 4.698 0 40 EJAB O=C(NCCSc1ccc(Cl)cc1)c1ccc(Cl)cc1 3050329 KSEFCWSAWGBMMN-UHFFFAOYSA-N 326.248 4.516 0 40 EJAB CC(=O)[C@](C)(Cc1ccccc1)C(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C 3846409 VIZLTLNHRLIAKW-IBHRTIHJSA-N 344.495 4.828 0 40 EJAB biogenic O=C(N(Cc1ccccn1)C1CCCC1)C12CC3CC(CC(C3)C1)C2 4859339 GPQZKSJPAMOBTE-UHFFFAOYSA-N 338.495 4.569 0 40 EJAB O=C(CCCSc1ccccc1)NC12CC3CC(CC(C3)C1)C2 6052298 MZWOSUQMPYHECK-UHFFFAOYSA-N 329.509 4.644 0 40 EJAB CC(=O)c1cccc(NC(=O)c2sc(-c3ccsc3)nc2C)c1 7951759 AZRPXYBLDQKSQG-UHFFFAOYSA-N 342.445 4.635 0 40 EJAB O=C(NCc1ccncc1)c1ccc(-c2cccc(Cl)c2Cl)o1 7990294 FQBHCSKPMPJZEQ-UHFFFAOYSA-N 347.201 4.578 0 40 EJAB Cc1cc(Cl)ccc1OCC(=O)N[C@H](C)c1cc2ccccc2o1 8237868 YPYDGZKLZDQFCM-CYBMUJFWSA-N 343.810 4.651 0 40 EJAB Cc1ccc(C)c2[nH]c(=O)c(CNc3cccc(C(F)(F)F)c3)cc12 12493083 JYILGHBEHRIKAJ-UHFFFAOYSA-N 346.352 4.776 0 40 EJAB Cc1nc2cc(NC(=O)COc3cc(C(C)C)ccc3C)ccc2o1 12747941 AGAGMITVTDWSDZ-UHFFFAOYSA-N 338.407 4.586 0 40 EJAB C[C@@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1ccccc1F 12760565 LFFNBSKXSBXBAA-GFCCVEGCSA-N 335.806 4.514 0 40 EJAB COc1ccccc1/C=C/C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 13669654 MJTHBFAPMKVOJX-ASNKMWSDSA-N 337.463 4.883 0 40 EJAB CN(CC(=O)Nc1ccc(SC(F)F)cc1)C1CCCCCC1 14705027 CSJACMGSMFQCLN-UHFFFAOYSA-N 342.455 4.594 0 40 EJAB COc1ccc(-c2csc(-c3ccco3)n2)cc1Br 25044683 PKAIVWRFWXHUTJ-UHFFFAOYSA-N 336.210 4.841 0 40 EJAB Cc1ccc2c(C)c(C(=O)Nc3ccnn3Cc3ccccc3)oc2c1 28405004 YLSJPVFQWNRSJN-UHFFFAOYSA-N 345.402 4.547 0 40 EJAB C[C@H](c1cc2ccccc2o1)N(C)C(=O)CCOc1cccc(F)c1 30215416 QEVLIEWFDBJEEG-CQSZACIVSA-N 341.382 4.560 0 40 EJAB CCC(=O)N1CCC[C@@H](C(=O)Nc2c(C(C)C)cccc2C(C)C)C1 40554125 OLAILSDRRWRSIQ-MRXNPFEDSA-N 344.499 4.521 0 40 EJAB Cc1ccc(NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1C 40913175 RXTZCWPVXWAJCZ-HNNXBMFYSA-N 331.843 4.980 0 40 EJAB Clc1cccc2c(-c3nc4cc(-n5cnnc5)ccc4o3)cccc12 45920415 LSTXJEXTKFAHHZ-UHFFFAOYSA-N 346.777 4.882 0 40 EJAB Cc1cc(C)c2cc(C(=O)N(C)Cc3ccc([C@H]4C[C@H]4C)o3)[nH]c2c1 58006581 TVAXNUDGNPOJMF-PBHICJAKSA-N 336.435 4.773 0 40 EJAB Cc1ccc(C)c([C@H](C)NC(=O)COc2ccc(Cl)c(C)c2)c1 59351455 JQEPGYKNNMJKTO-HNNXBMFYSA-N 331.843 4.521 0 40 EJAB CCC[C@H](c1ccccn1)N(C)C(=O)Nc1cccc(OC(F)F)c1 69622890 HLLMBAGKNCZKBV-MRXNPFEDSA-N 349.381 4.688 0 40 EJAB C[C@H]1C[C@@H]1c1ccc(CN(C(=O)c2ccc(O)c(Cl)c2)C2CC2)o1 71811819 USWPIBHHGRRSJT-NHYWBVRUSA-N 345.826 4.567 0 40 EJAB CCOc1ccc(C(=O)N[C@H](C)c2ccc(CC)cc2)cc1OCC 78458651 WZISKLYMQPCOOW-OAHLLOKOSA-N 341.451 4.537 0 40 EJAB CC[C@@H](Oc1ccccc1F)C(=O)N[C@H](C)c1cc(C)c(C)cc1C 223472980 FFMGAHHOIMZGLY-VQIMIIECSA-N 343.442 4.786 0 40 EJAB Cc1ccc(CSCCNC(=O)CCc2ccc(Cl)cc2)cc1 225302500 AGUPHAOARPOXOM-UHFFFAOYSA-N 347.911 4.631 0 40 EJAB COc1ccc([C@H](CC(C)C)NC(=S)Nc2ccc(F)cc2)cc1 225498274 XNUOBJFTIPLENA-SFHVURJKSA-N 346.471 4.908 0 40 EJAB Cc1ccccc1CSCCCNC(=S)Nc1ccccc1 225599576 OZNVOMTUPYHQBB-UHFFFAOYSA-N 330.522 4.605 0 40 EJAB CC[C@H](C)Oc1ccc(NC(=O)[C@@]2(OC)CCC[C@@H](C)C2)cc1C 225637566 SLENYYWZSNJQRK-PTSWNOGYSA-N 333.472 4.706 0 40 EJAB CCCCCC(=O)Nc1cc(Cl)ccc1-c1ccc(C(=O)O)o1 226352054 FBNQLICEQNBIHS-UHFFFAOYSA-N 335.787 4.817 0 40 EJAB CC(C)Sc1nnc2c3ccccc3n(CCc3ccccc3)c2n1 79787 LQLRRKSTIQVUSH-UHFFFAOYSA-N 348.475 4.723 0 40 EJAB Fc1ccc(CCNc2ncnc3c2[nH]c2ccc(Cl)cc23)cc1 551305 YSANKKMIIMHLPX-UHFFFAOYSA-N 340.789 4.558 0 40 EJAB O=C(O)c1cc(-c2ccc(-c3ccccc3)cc2)n(-c2ccccc2)n1 1090492 BOWVJDFPOCTDPE-UHFFFAOYSA-N 340.382 4.905 0 40 EJAB Cc1cccc2cc3c(NC(=O)CC(C)C)nn(CC(C)C)c3nc12 1298310 ZWKWWDUPOMDRDN-UHFFFAOYSA-N 338.455 4.534 0 40 EJAB Cc1c(-c2csc(-c3ccc(Cl)cc3)n2)sc2ncnn12 1401911 ISAGDGHQIZTYEG-UHFFFAOYSA-N 332.841 4.543 0 40 EJAB CCCCOc1ccccc1NC(=O)COc1ccc(Cl)cc1C 1777477 LUZMEYHUCAVSIJ-UHFFFAOYSA-N 347.842 4.845 0 40 EJAB CC(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)N1c1ccccc1 2062671 ITMWOAQPJMNDKV-QFIPXVFZSA-N 341.414 4.615 0 40 EJAB CCCNC(=O)c1cc(-c2ccccc2OC(C)C)nc2ccccc12 2764407 GOVUGLXEVGRUAY-UHFFFAOYSA-N 348.446 4.829 0 40 EJAB C[C@H](C(=O)O)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 4024651 NPBNRBWMDNZEBN-ARUPBPLLSA-N 346.511 4.647 0 40 EJAB biogenic,in-vitro Cc1ccc(C(=O)Nc2nnc(-c3ccccc3Cl)s2)cc1C 4072136 LFHRTFSCTWHGNR-UHFFFAOYSA-N 343.839 4.728 0 40 EJAB Cc1ccc(C)c(-c2nnc(NC(=O)c3cccc4ccccc34)o2)c1 4479506 QHEYDAUAOGOBCR-UHFFFAOYSA-N 343.386 4.759 0 40 EJAB CC1=C(C)[C@H](Nc2cccc(C(F)(F)F)c2)N(CCC(C)C)C1=O 4561546 LDERSMYAKWFNOR-MRXNPFEDSA-N 340.389 4.668 0 40 EJAB Cn1c(C(=O)Nc2ccc(Cl)cc2Cl)cc2sccc21 4971182 HRMWAMFGCCBGRR-UHFFFAOYSA-N 325.220 4.799 0 40 EJAB Cc1ccc(C(=O)CSc2ncnc3c2oc2ccccc23)cc1 5187946 SOBVRKBDPDZOFA-UHFFFAOYSA-N 334.400 4.659 0 40 EJAB O=C(Nc1ccc(N2CCCCC2=O)cc1)c1cccc2ccccc12 5441249 OVCIZBIDOTYGCE-UHFFFAOYSA-N 344.414 4.609 0 40 EJAB O=C(O)C[C@H](c1c(-c2ccccc2)[nH]c2ccccc12)C(F)(F)F 5490306 CKZCHZAZQRRNQE-CYBMUJFWSA-N 333.309 4.956 0 40 EJAB Cc1ccc2nc(SCC(=O)C34CC5CC(CC(C5)C3)C4)[nH]c2c1 6160984 NMFIFHLTOXSOQP-UHFFFAOYSA-N 340.492 4.749 0 40 EJAB CC(C)c1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1 6315926 MLFHTJUZAOUVPK-UHFFFAOYSA-N 325.433 4.764 0 40 EJAB CCc1ccc([C@@H]2N=C(O)c3c(sc4c3CC[C@H](C)C4)N2)cc1 6359252 YRBOYBLPQXOTJM-APPDUMDISA-N 326.465 4.864 0 40 EJAB Cc1cccc(C(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)c1 6375831 RUVUWYROHFHXHB-UHFFFAOYSA-N 326.396 4.818 0 40 EJAB CN(Cc1nc2ccccc2s1)C(=O)Cc1cccc2ccccc12 6789741 DDEYTSCIHFNNEJ-UHFFFAOYSA-N 346.455 4.651 0 40 EJAB Clc1cccc(-n2ncc3c(NC4CCCCCC4)ncnc32)c1 8583075 VGUMJPMMFUXSEX-UHFFFAOYSA-N 341.846 4.604 0 40 EJAB Cn1c(SCc2ccccc2)nnc1-c1ccc2c(c1)CCCC2 9193283 RUVGYNSEWPPVPH-UHFFFAOYSA-N 335.476 4.653 0 40 EJAB C[C@@H]1CCN(C(=O)Cc2c[nH]c3ccccc23)c2ccccc2S1 11055853 QVLUETZCAVCHNM-CQSZACIVSA-N 336.460 4.628 0 40 EJAB Cc1ccc(/C=C/C(=O)N2CCC[C@H]2c2nc3ccccc3s2)o1 12931989 JTPJXNFTORCXJT-OFAQMXQXSA-N 338.432 4.575 0 40 EJAB C=CC[C@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 13400981 BQXKIYVBCVCFAZ-IMHAECHTSA-N 332.528 4.697 0 40 EJAB biogenic Cc1ccc(O)c([C@H](CC(=O)NCc2ccccc2)c2ccccc2)c1 16849244 SATMBNQOXWPQSE-HXUWFJFHSA-N 345.442 4.539 0 40 EJAB CCC(CC)C(=O)N1N=C(c2cccs2)C[C@H]1c1ccccc1 19815970 KDYFCSCQTJXQLI-KRWDZBQOSA-N 326.465 4.862 0 40 EJAB CCc1ccccc1O[C@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 20048053 FNDFBHLFTMZANB-GFCCVEGCSA-N 337.341 4.674 0 40 EJAB COc1ccc(S[C@@H](C)C(=O)Nc2cccc(SC)c2)cc1 20451029 UACSHSWGTZNEKN-LBPRGKRZSA-N 333.478 4.536 0 40 EJAB Cc1cc(C)c([C@H](C)NC(=O)COc2ccccc2Cl)cc1C 22537431 YNJUZGQRRBDFSS-HNNXBMFYSA-N 331.843 4.521 0 40 EJAB Cc1noc(C)c1CN(C)C(=O)c1ccc(C2CCCCC2)cc1 24580967 PXMOPBSLYIYREA-UHFFFAOYSA-N 326.440 4.611 0 40 EJAB CC[C@@H](C)NC(=O)c1sc(-c2ccco2)nc1-c1ccccc1 24842269 DFLULZPLTFBAOT-GFCCVEGCSA-N 326.421 4.598 0 40 EJAB C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)/C=C/c1cccnc1 30316499 DFXWPTORDZQXNK-ZCRIDZFUSA-N 335.234 4.621 0 40 EJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N1CCCC(C)(C)C1 30856442 MXCRKFKILCHJAN-LJQANCHMSA-N 325.452 4.646 0 40 EJAB CCCn1nc(C)cc1NC(=O)Nc1cccc(Cl)c1Cl 32609921 OCIVWUVMKBBSNT-UHFFFAOYSA-N 327.215 4.552 0 40 EJAB O=C(Nc1nc2ccccc2s1)c1cnc(-c2ccccc2)s1 32931363 XAJSIBYQMYYFCG-UHFFFAOYSA-N 337.429 4.672 0 40 EJAB Cc1ccccc1C(=O)N1CCc2ccccc2[C@@H]1c1ccccc1 36626613 WUCULHPACRWGJL-QFIPXVFZSA-N 327.427 4.783 0 40 EJAB O=C(c1csc(Cc2ccccc2)n1)N1CCC[C@@H]2CCCC[C@H]21 40090227 NJPDXVIYKYCDOA-FUHWJXTLSA-N 340.492 4.529 0 40 EJAB Cc1cc(NCc2ccc(-c3ccccc3)o2)nc(-c2ccncc2)n1 60860615 RDQJWWOMHZOPNR-UHFFFAOYSA-N 342.402 4.719 0 40 EJAB Cc1cccc(NC(=O)NCc2sc(-c3ccccc3)nc2C)c1 75166437 VCAWNNKAQWZORQ-UHFFFAOYSA-N 337.448 4.749 0 40 EJAB Cc1c(C(=O)CN2C[C@]3(C)C[C@@H]2CC(C)(C)C3)c2ccccc2n1C 101116577 DWVYRXCRUOQLHN-KSFYIVLOSA-N 338.495 4.570 0 40 EJAB CCc1ccc(-c2csc(NC(=O)[C@H]3C[C@@H]4CC[C@@H]3C4)n2)cc1 102089105 AHHKLTZSMVVPOJ-BMFZPTHFSA-N 326.465 4.747 0 40 EJAB CC[C@@H](CNC(=S)Nc1cc(C)cc(C)c1)Cc1ccccc1 225629445 BRDUVJPTVRGUIR-QGZVFWFLSA-N 326.509 4.859 0 40 EJAB Cc1cccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)c1 245380844 PFBQDCGPGMFALE-KIXCERJESA-N 333.431 4.990 0 40 EJAB Cc1ccc(-c2ccc(CNc3cccc(C(=O)N(C)C)c3)o2)cc1 533209125 JZRIWSZWAGSUOP-UHFFFAOYSA-N 334.419 4.569 0 40 EJAB Cc1nc(-c2ccc(NC(=O)c3ccc4ccncc4c3)cc2)oc1C 1125282885 YFWQEYKWIMBSAE-UHFFFAOYSA-N 343.386 4.759 0 40 EJAB O=C1C=C(c2ccccc2)O[C@@H](c2ccccc2)N1c1ccccc1 260528 CJVCVCPYIZVRLD-QFIPXVFZSA-N 327.383 4.790 0 40 EJAB CCCCOC(=O)N[C@@H]1c2ccccc2CSc2ccccc21 2193174 GPRPFWCWWJJDRC-GOSISDBHSA-N 327.449 4.908 0 40 EJAB CCCOc1cc2occ(-c3nc(C)cs3)c(=O)c2cc1CC 2281187 IEOZEEATSKBLQD-UHFFFAOYSA-N 329.421 4.576 0 40 EJAB CCCCOc1ccc(NC(=S)Nc2ccc(OC)cc2)cc1 3141929 IASXZRFIGSXBIO-UHFFFAOYSA-N 330.453 4.683 0 40 EJAB COc1cc2c(cc1OCc1ccccc1)C(SC)=NC(C)(C)C2 4672184 QPTLDORADHNXHE-UHFFFAOYSA-N 341.476 4.719 0 40 EJAB CCC(CC)c1nnc(NC(=O)c2ccccc2C(F)(F)F)s1 5860381 BEBXEVKLCCZPDW-UHFFFAOYSA-N 343.374 4.713 0 40 EJAB Fc1ccc2[nH]c3nc(SCc4ccccc4Cl)nnc3c2c1 6884577 VBZCXKAZXNMOKL-UHFFFAOYSA-N 344.802 4.591 0 40 EJAB O=C(C[C@@H](c1ccccc1)n1cnc2ccccc21)c1ccccc1 7542330 SAGHVQDFVQGNAU-NRFANRHFSA-N 326.399 4.899 0 40 EJAB Cc1cccc(NC(=O)Cc2csc(-c3cccs3)n2)c1C 8427989 GKKMUPPUNJIUBF-UHFFFAOYSA-N 328.462 4.670 0 40 EJAB C[C@H]1CCCC[C@H]1NC(=S)Nc1ccc(SC(F)F)cc1 8687108 ORCDWZCHRCYHIM-GXFFZTMASA-N 330.469 4.866 0 40 EJAB Cc1ccc(C(=O)Nc2nc(-c3cc(F)ccc3F)cs2)cc1F 9909687 PBVJGHOYBVHNSI-UHFFFAOYSA-N 348.349 4.788 0 40 EJAB Cc1ccc(CCCNC(=O)[C@H](C)Sc2ccc(C)cc2)cc1 10110402 CCLOAQZAPARNIX-KRWDZBQOSA-N 327.493 4.533 0 40 EJAB Cc1cc(C)c2nc(NC(=O)c3cc(-c4ccccc4)on3)sc2c1 11915834 JLYTZLYTCZYPKI-UHFFFAOYSA-N 349.415 4.820 0 40 EJAB CC(C)C(=O)N1CCCCC[C@@H]1c1cc(-c2ccc(F)cc2)on1 12185534 ABNGWNKVZLIDQG-QGZVFWFLSA-N 330.403 4.580 0 40 EJAB CC[C@H](C)C(=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1 12764664 BUXWFLQNLNNATD-JTQLQIEISA-N 342.386 4.737 0 40 EJAB C[C@H](NC(=O)Cc1ccc2ccccc2c1)c1ccc(F)cc1F 12779726 ZVCLNWHYYXEPCS-ZDUSSCGKSA-N 325.358 4.538 0 40 EJAB CC(=O)c1ccc(NC(=S)Nc2cccc(C(F)(F)F)c2)cc1 13791933 DSAYJSKYHZQFCI-UHFFFAOYSA-N 338.354 4.717 0 40 EJAB Cc1ccc(Nc2ncnc3c2cnn3-c2ccc(C)c(C)c2)c(C)c1 17025971 IKQIHFVEPZXAQD-UHFFFAOYSA-N 343.434 4.793 0 40 EJAB C[C@@H](NC(=O)c1ccc(-n2cnc3ccccc32)cc1)c1ccccc1 17323404 DVNJVGQGVFXHAW-MRXNPFEDSA-N 341.414 4.517 0 40 EJAB O=C(CCc1cccs1)Nc1ccc2c(c1)OC1(CCCCC1)O2 22021130 QSRYNBVVHACARN-UHFFFAOYSA-N 343.448 4.751 0 40 EJAB Clc1cccc(-n2ccnc2SCc2nc3ccccc3o2)c1 22079916 CLLLRNWJDSXOIH-UHFFFAOYSA-N 341.823 4.959 0 40 EJAB c1coc(-c2nc(CSc3ccc4c(c3)OCCCO4)cs2)c1 22517302 DXVGCUBYRFTUGT-UHFFFAOYSA-N 345.445 4.857 0 40 EJAB CCC[C@@H](C)NC(=O)c1ccccc1-c1ccc(Cn2cccn2)cc1 22522804 GDLCTWDJQSGUBR-QGZVFWFLSA-N 347.462 4.517 0 40 EJAB CC[C@@H](NC(=O)[C@@H](C)Sc1ccc(C)cc1)c1ccc(OC)cc1 23649834 SVNAOPBNGGJOEO-DNVCBOLYSA-N 343.492 4.752 0 40 EJAB CCOc1ccc(-c2nc(-c3ccc(C(=O)O)cc3)sc2C)cc1 32647239 GKIVZPCTWPCANC-UHFFFAOYSA-N 339.416 4.882 0 40 EJAB Cc1ccc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1C 38833624 MCVVYHLMYKVPNI-UHFFFAOYSA-N 336.479 4.788 0 40 EJAB O=C(Nc1cc(Cl)cc2cccnc12)c1cccc2ncccc12 40056900 OAMRMDUEDBSEKP-UHFFFAOYSA-N 333.778 4.689 0 40 EJAB Cc1ccc(-c2cc3c(SCc4ccccc4)nccn3n2)cc1 45925246 RLMOCOXXQWCXLP-UHFFFAOYSA-N 331.444 4.997 0 40 EJAB O=C(Nc1cccc(-n2cccc2)c1)c1sccc1Br 48824454 LSHVYEQOQABYJZ-UHFFFAOYSA-N 347.237 4.554 0 40 EJAB C[C@H](c1ccco1)N(C(=O)c1csc(-c2ccsc2)n1)C1CC1 56183123 WPMIQICLXBJOOZ-LLVKDONJSA-N 344.461 4.830 0 40 EJAB Cc1cc(NC(=O)N(C)[C@H](C)CC(C)C)ccc1Br 58418536 JTNOPQZFECDIHO-GFCCVEGCSA-N 327.266 4.656 0 40 EJAB CNc1nc2c(s1)[C@@H](c1cccc(Cl)c1Cl)CC(O)=N2 61719913 DFAFZNZFCNCWPC-SSDOTTSWSA-N 328.224 4.615 0 40 EJAB CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2CC)cn1 72215101 GZJHLFLPPACLTO-NVXWUHKLSA-N 347.503 4.778 0 40 EJAB O=C(OCc1ccccc1)N1CCCC[C@@H]1c1ccc[nH]c1=S 72217091 ASDDOKDGCLGVPT-MRXNPFEDSA-N 328.437 4.608 0 40 EJAB O=C(CC1CCCCC1)N1CCC(c2onc3c2CCCCC3)CC1 72342349 NVYLXMWLXWULMD-UHFFFAOYSA-N 344.499 4.620 0 40 EJAB Cc1cc(Nc2cccc(C(=O)O)c2)c2c(Cl)ccc(C)c2n1 78401684 AOIHTJRYYKJBCG-UHFFFAOYSA-N 326.783 4.947 0 40 EJAB O=C(Nc1ccccn1)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 84613266 MFXPMJRMZDCQGU-UHFFFAOYSA-N 336.222 4.585 0 40 EJAB Cc1oc(-c2ccccc2)nc1CN1CCC[C@H]1c1ccc(O)cc1 89548110 ZWBSNWQQGSVQDU-FQEVSTJZSA-N 334.419 4.693 0 40 EJAB CCOc1cc(C=O)cc(Cl)c1OCc1ccc(F)cc1Cl 95094961 WFRMJOIKZYIGEB-UHFFFAOYSA-N 343.181 4.923 0 40 EJAB Cc1cccc(C(C)C)c1NC(=O)N[C@@H](CCCO)c1ccccc1 96420088 SYQFPRQJDVIVGX-IBGZPJMESA-N 340.467 4.754 0 40 EJAB CC(C)(C)c1ccc(C(=O)CCC(=O)Nc2ccccc2F)cc1 96653288 FPGSBAMZFQLZOU-UHFFFAOYSA-N 327.399 4.725 0 40 EJAB CCOc1ccc(C(=O)Nc2ccccc2Cl)cc1COC(C)C 224715531 IDSHFFOAPWHFTM-UHFFFAOYSA-N 347.842 4.916 0 40 EJAB Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(Cl)cc1F)CC(C)(C)O2 225318094 NGSHFOVDHRJPHB-INIZCTEOSA-N 347.817 4.820 0 40 EJAB COc1ccccc1CCCNC(=S)Nc1ccc(C)c(Cl)c1 225549915 HIFBIUMYGMBETA-UHFFFAOYSA-N 348.899 4.576 0 40 EJAB CCNc1ccc2nc(-c3ccc(OC)c(Br)c3)oc2c1 226284387 TUNNGOLIGVSWHO-UHFFFAOYSA-N 347.212 4.698 0 40 EJAB CN1[C@H](c2ccccc2)C[C@H](O)[C@@H](c2ccccc2)[C@@H]1c1ccccc1 245380447 ZIIZMWKPNMCHTR-XQUALCHDSA-N 343.470 4.949 0 40 EJAB COc1ccc(CCCc2nnc(SCc3ccccc3)o2)cc1 409015878 PFRLUXCASDPWGT-UHFFFAOYSA-N 340.448 4.546 0 40 EJAB Cc1cccc(-c2ccc3c(c2)C2(CCOCC2)CN3C(=O)C(C)C)c1 585105745 HWJPBTQVJXVUNH-UHFFFAOYSA-N 349.474 4.713 0 40 EJAB Cc1cccc(Cn2c(C)cc3cc(C(=O)N4CCCCC4)ccc32)c1 1307258447 WUZUGVLACRMGIE-UHFFFAOYSA-N 346.474 4.933 0 40 EJAB O=C(Nc1cccc(C(F)(F)F)c1)N1[C@H]2CC[C@H]1CC(=C1CC1)C2 1776008801 NVJZMEFTHCDVIV-HOTGVXAUSA-N 336.357 4.955 0 40 EJAB Cc1ccccc1C(=O)Nc1ccccc1-c1nc2ccccc2[nH]1 181064 PFRWUFQKPYEXHZ-UHFFFAOYSA-N 327.387 4.791 0 40 EJAB CCOc1cc2cnc(Nc3ccc(OC)cc3)cc2cc1OCC 543229 BPKIDYIGWRBEBL-UHFFFAOYSA-N 338.407 4.784 0 40 EJAB Cc1cc2ncn(-c3ncnc4sc5c(c34)CC[C@H](C)C5)c2cc1C 3270692 UCZRDCLZOKSCSG-NSHDSACASA-N 348.475 4.772 0 40 EJAB O=C1NC(=O)/C(=C/c2ccccc2Oc2ccc(Cl)c(F)c2)S1 4050230 HECIPPVIVJEVMK-AUWJEWJLSA-N 349.770 4.595 0 40 EJAB O=C(CCSc1ccccc1)Nc1nc(-c2cccs2)cs1 4078572 UWFUECJPAOXUOJ-UHFFFAOYSA-N 346.502 4.993 0 40 EJAB Cc1cc2c(s1)[C@H]1CCCC[C@H]1O[C@@H]2c1ccc2c(c1)OCO2 4512280 KCUMDOBAIIFHQY-JCKWVBRZSA-N 328.433 4.931 0 40 EJAB O=C(O)c1cc(-c2ccccc2Cl)n(-c2cccc(Cl)c2)n1 5680054 XGPYEVQICAXXTF-UHFFFAOYSA-N 333.174 4.544 0 40 EJAB O=C(/C=C/c1ccc(Cl)cc1)N1CCC(Cc2ccccc2)CC1 5946827 JHNXPHIQNJJJSV-DHZHZOJOSA-N 339.866 4.835 0 40 EJAB COc1cc(Cl)c(C)cc1NC(=O)Cc1coc2cc(C)ccc12 6833414 SHYHNDFGXUYHHN-UHFFFAOYSA-N 343.810 4.893 0 40 EJAB COc1ccc(CNCc2cccc(OCc3ccccc3)c2)cc1 7538382 NUAQENOUMSSCDL-UHFFFAOYSA-N 333.431 4.564 0 40 EJAB CCCCc1ccc2nc(NC(=O)c3sc(C)nc3C)sc2c1 7996300 SWAQTIQVMAXTKE-UHFFFAOYSA-N 345.493 4.965 0 40 EJAB COc1ccc(CNC23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)cc1OC 8534514 VYPORFIFMNFWMO-SHYIKFMPSA-N 329.484 4.542 0 40 EJAB CSc1ccc(Cl)c(C(=O)NCC2(c3ccccc3)CCC2)c1 10221340 FQLREJYGLLZGFX-UHFFFAOYSA-N 345.895 4.914 0 40 EJAB CN(C(=O)C(c1ccccc1)c1ccccc1)c1nc2ccccc2o1 12733752 IBNBPEAVYIMAAC-UHFFFAOYSA-N 342.398 4.623 0 40 EJAB FC(F)(F)c1nc(N[C@H]2CCOc3ccccc32)c2ccccc2n1 14169295 YFLZHIQAOWGUOQ-AWEZNQCLSA-N 345.324 4.584 0 40 EJAB C[C@H](NC(=O)c1c(F)cccc1F)c1ccc(Cl)c(Cl)c1 14424927 KBGSXUZEXBBORB-QMMMGPOBSA-N 330.161 4.763 0 40 EJAB c1ccc(-[n+]2c(-c3cccs3)cn3c2CCc2ccccc2-3)cc1 15953118 GQURBCLQYBAANB-UHFFFAOYSA-N 329.448 4.581 0 40 EJAB CC[C@H](Oc1ccccc1[C@H](C)CC)C(=O)Nc1ccc(N)cc1C 19736778 PBVZXKRMTXAWOD-KUHUBIRLSA-N 340.467 4.887 0 40 EJAB CCCc1cc(=O)oc2c3c(ccc12)OCN([C@H](C)c1ccccc1)C3 20610061 OSQASRQBKLAJQZ-OAHLLOKOSA-N 349.430 4.659 0 40 EJAB biogenic Cc1cccc(-c2cc(NC(=O)c3ccco3)n(-c3ccccc3)n2)c1 21944831 KSVMZJBJRLNMBU-UHFFFAOYSA-N 343.386 4.693 0 40 EJAB CC[C@@H](NC(=O)CSCc1ccc(C)cc1)c1ccc(OC)cc1 22535005 DWEULURGOSRWFL-LJQANCHMSA-N 343.492 4.504 0 40 EJAB O=C(OCc1cc(-c2cc3ccccc3o2)on1)C1CCCCC1 22768988 HLKQPKHDMJHHHH-UHFFFAOYSA-N 325.364 4.711 0 40 EJAB CCOc1ccc(C(=O)O)cc1COc1ccc(C(C)(C)C)cc1 24549532 YLGPMKKNTOPGPV-UHFFFAOYSA-N 328.408 4.660 0 40 EJAB Cc1cc(C)n(-c2ccccc2NC(=O)c2oc3ccccc3c2C)n1 25013864 AWANSMISTOYHPM-UHFFFAOYSA-N 345.402 4.796 0 40 EJAB CC[C@@H](C)c1ccc(NC(=O)C[C@H](C(=O)O)c2ccc(F)cc2)cc1 25206323 UIRARYZNPMYLGD-ACJLOTCBSA-N 343.398 4.536 0 40 EJAB FC(F)(F)c1ccc2nnc(S[C@H]3CCCc4ccccc43)n2c1 32931650 JGFWMLDESYCQCP-AWEZNQCLSA-N 349.381 4.918 0 40 EJAB COc1ccccc1-c1cc(C(F)(F)F)c2c(C3CC3)noc2n1 36617453 JUQBTVFWMSFYMV-UHFFFAOYSA-N 334.297 4.795 0 40 EJAB O=C(Nc1ccccc1N1CCCC1)N[C@H](c1ccccc1)C1CC1 40103751 AUZZRPWBYPGFJF-HXUWFJFHSA-N 335.451 4.560 0 40 EJAB Cc1ccccc1Nc1c(C(=O)N2CCCC2)cnc2ccc(F)cc12 64471784 NXXBTPOYQZXZFV-UHFFFAOYSA-N 349.409 4.662 0 40 EJAB COc1ccc(C)cc1CN[C@@H](Cc1ccsc1)c1nccs1 72391125 IHVCFXTVHFXFBC-INIZCTEOSA-N 344.505 4.595 0 40 EJAB CC(C)Oc1ccc(C(=O)N2CCC(c3ccsc3)CC2)cc1 75157126 JNTRXVKDKJSKGQ-UHFFFAOYSA-N 329.465 4.555 0 40 EJAB Cc1cc2c(cc1C(F)(F)F)N(C(=O)OC(C)(C)C)CCC[C@@H]2N 91302078 ZTMQESWFSUIDFM-ZDUSSCGKSA-N 344.377 4.549 0 40 EJAB CC[C@H](CSC(F)(F)F)NCc1cccc(C(F)(F)F)c1 95918396 OVMJRQFDHJDOEF-LLVKDONJSA-N 331.325 4.827 0 40 EJAB O=c1c2cc(Cl)ccc2nc2n1CC/C2=C/c1cccc(Cl)c1 96759131 PEBCIPBBMSFUBC-WQLSENKSSA-N 343.213 4.648 0 40 EJAB O=C(O)CS/C(=C/c1cccs1)c1nc2ccccc2s1 96891469 BDDQTSYVZQEPAX-MDWZMJQESA-N 333.459 4.674 0 40 EJAB O=C(O)c1ccc2c(c1)N[C@H](c1ccccc1)[C@@H](c1ccccc1)N2 217676053 IHKRBIZCPIQQSB-WOJBJXKFSA-N 330.387 4.705 0 40 EJAB CC[C@@H](NC(=O)[C@@H](C)Oc1cccc(Cl)c1)c1ccc(C)c(C)c1 219292666 HNZZHSRLJKWUOZ-DNVCBOLYSA-N 345.870 4.992 0 40 EJAB CCc1ccc([C@@H](C)NC(=O)CSCc2cccc(C)c2)cc1 222882659 WWEKHAMLEFLMGP-MRXNPFEDSA-N 327.493 4.668 0 40 EJAB C[C@@H](CNC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1 224980790 XJLDYUSHVGZNQH-SFHVURJKSA-N 329.443 4.816 0 40 EJAB CCCOc1ccc(NC(=O)[C@@]2(OC)CCC[C@H](C)C2)cc1Cl 225639443 URUCGWYMBRKPSW-SCLBCKFNSA-N 339.863 4.663 0 40 EJAB CCCCOc1ccc(NC(=O)C2(OCC)CCCCC2)cc1C 225709913 DDYUSHULAONUAB-UHFFFAOYSA-N 333.472 4.852 0 40 EJAB C[C@H]1CCCCN1c1ccc(N)cc1NC(=O)c1cc2ccccc2o1 226254101 SALRMMKEQWHNHT-AWEZNQCLSA-N 349.434 4.646 0 40 EJAB Cc1cc(C)cc(Oc2ccc(NC(=O)[C@@H]3C[C@H]4CC[C@H]3O4)cc2)c1 504757853 VWYWLUUIRKDASV-MISYRCLQSA-N 337.419 4.602 0 40 EJAB Cc1ccc(-c2cncc(F)c2)cc1NC(=O)c1c(C)nsc1C 513308249 GRKFMUVFFDEVPV-UHFFFAOYSA-N 341.411 4.522 0 40 EJAB CCCC(=O)Nc1ccc(Oc2ccc(NC(=O)CCC)cc2)cc1 143499 GECXEOZZHGCNHN-UHFFFAOYSA-N 340.423 4.956 0 40 EJAB O=C(COc1ccc2ccccc2c1)Nc1cccc(C(F)(F)F)c1 289346 NIMRZVJKWVVBRT-UHFFFAOYSA-N 345.320 4.876 0 40 EJAB C[C@H]1CCc2sc(C(=O)Nc3ccc(OC(F)F)cc3)cc2C1 3419628 WZYWRXYCWCMLHF-JTQLQIEISA-N 337.391 4.727 0 40 EJAB CCc1nc(SCC(=O)c2ccccc2)c2c(C)c(C)sc2n1 4240963 KGHHJAYYKCKXCS-UHFFFAOYSA-N 342.489 4.846 0 40 EJAB COc1ccc(Cl)cc1-c1n[nH]c(S[C@H](C)c2ccccc2)n1 6463779 HFSJCDWHINZYSJ-LLVKDONJSA-N 345.855 4.987 0 40 EJAB Clc1ccc2[nH]c(SCc3cn4cc(Cl)ccc4n3)nc2c1 6567032 YFVAPHXCEPZESC-UHFFFAOYSA-N 349.246 4.810 0 40 EJAB COc1ccccc1[C@H](C)NC(=O)c1ccc(-c2ccccc2F)o1 6607951 HPUZAPHQWZFOGT-ZDUSSCGKSA-N 339.366 4.585 0 40 EJAB CN(Cc1cccc(Cl)c1)C(=O)CCc1nc2ccccc2s1 6847557 YLQZDJVWOKWHML-UHFFFAOYSA-N 344.867 4.541 0 40 EJAB OCCCNCc1ccc(N(c2ccccc2)c2ccccc2)cc1 8129458 XDBUTLHMCHHUGS-UHFFFAOYSA-N 332.447 4.628 0 40 EJAB Cc1nc2c(cc1-c1nc3ccccc3[nH]1)c(C)nn2-c1ccccc1 9517187 VHVSLZFDOJEGLV-UHFFFAOYSA-N 339.402 4.581 0 40 EJAB Cc1cc(C(=O)Nc2ccc(F)c(Cl)c2)c(C)n1Cc1ccco1 12997855 FKIVZQNKMCGQHA-UHFFFAOYSA-N 346.789 4.791 0 40 EJAB COc1cc(C)ccc1Oc1nc(C(F)(F)F)nc2ccccc12 14139395 LMFVILSXAJTWOU-UHFFFAOYSA-N 334.297 4.758 0 40 EJAB CCn1c(SCC(=O)c2ccc(Cl)cc2)nc2ccccc21 14776246 KVBMSEWXKXJQPG-UHFFFAOYSA-N 330.840 4.685 0 40 EJAB CN(C(=O)c1ccc(CN2CCc3ccccc32)cc1)C1CCCCC1 22534979 WWNPOOUOXXXRFF-UHFFFAOYSA-N 348.490 4.654 0 40 EJAB CC(C)CC[C@H](CC(=O)NCc1ccco1)[C@H]1CCOC(C)(C)C1 26961467 VPXAGZGTQSBXPJ-SJORKVTESA-N 335.488 4.544 0 40 EJAB Cc1c(C)n(C)c2ccc(C(=O)Nc3ncc(Cl)cc3Cl)cc12 27976100 LRTKRCZTSPWBDP-UHFFFAOYSA-N 348.233 4.749 0 40 EJAB CCOC(Cn1c(/C=C\c2ccccc2)nc2ccccc21)OCC 33442619 GUVSUSHWJSWITJ-PFONDFGASA-N 336.435 4.606 0 40 EJAB CC(=O)Oc1ccc(C(=O)c2ccc(Oc3ccccc3)cc2)cc1 43209939 XWWHYSFBAQRSCB-UHFFFAOYSA-N 332.355 4.635 0 40 EJAB CCCCc1ccc(NC(=O)[C@H](CC)Oc2cccc(OC)c2)cc1 44900557 NANKMNDITYFRQD-FQEVSTJZSA-N 341.451 4.834 0 40 EJAB CSc1cccc(NC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)c1 57412513 OCYDVEPAMWDJMP-UHFFFAOYSA-N 343.839 4.704 0 40 EJAB Cn1ncc(-c2ccncc2)c1-c1ccc(OCc2ccccc2)cc1 75172844 ZDLDRFDLZNDFRP-UHFFFAOYSA-N 341.414 4.728 0 40 EJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@H]1CCCc2ccccc21 113956440 ZJTUPBMBKAVNAT-OALUTQOASA-N 343.854 4.691 0 40 EJAB CC[C@@H](NC(=S)Nc1cccc(OC(C)C)c1)c1ccccc1 225481562 ZSDRVEQZWUBJRI-GOSISDBHSA-N 328.481 4.912 0 40 EJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NC(C)(C)Cc1ccccc1 225854548 YTWYRJNXEXAJIU-HXUWFJFHSA-N 339.479 4.598 0 40 EJAB CCN(C(=O)c1ccc(-c2ccc(Cl)c(N)c2)o1)c1ccccc1 226304102 ZAJCFYSVHLAWNS-UHFFFAOYSA-N 340.810 4.849 0 40 EJAB CCc1ccc(C(=O)Nc2cc(C(=O)O)cc(Cl)c2Cl)cc1 226354902 WEFOEYPIRCHRAG-UHFFFAOYSA-N 338.190 4.506 0 40 EJAB O=C(Nc1cc(-c2ccc(C(=O)O)o2)ccc1Cl)c1ccccc1 226356073 PALRLZYRQUOCJU-UHFFFAOYSA-N 341.750 4.551 0 40 EJAB C[C@@H](Cc1cc2ccccc2o1)NC(=O)Cc1c(F)cccc1Cl 253471450 CQICSIGQDZPQDI-LBPRGKRZSA-N 345.801 4.515 0 40 EJAB CCCc1cc2c(cc1Cc1cc3c(cc1CCC)OCO3)OCO2 888085789 PFIJCKXNLPXDRL-UHFFFAOYSA-N 340.419 4.640 0 40 EJAB Oc1ccc(F)c(CN2CC[C@@H](C(F)(F)F)c3ccccc32)c1F 1659862250 ASSSSOSPXFGMBZ-GFCCVEGCSA-N 343.295 4.727 0 40 EJAB COc1cc2sc(NC(=O)/C=C/c3ccccc3)nc2cc1Cl 557707 DUYVDZVIOQWEAG-BQYQJAHWSA-N 344.823 4.610 0 40 EJAB O=Cc1cn(Cc2ccccc2Cl)c2ccc(Br)cc12 578833 DTPLDKFYJDUCGP-UHFFFAOYSA-N 348.627 4.918 0 40 EJAB O=C(NC(=S)Nc1ccc(Nc2ccccc2)cc1)c1ccccc1 587330 NHNXXUVYVIYOCG-UHFFFAOYSA-N 347.443 4.557 0 40 EJAB COc1ccc([C@H]2c3sc(O)nc3S[C@@H]3[C@@H]4CC[C@@H](C4)[C@H]23)cc1 2463722 NPIJXUGEZHABCE-PWRGDLIESA-N 345.489 4.510 0 40 EJAB O=C(Cc1c(Cl)cccc1Cl)NCc1ccccc1Cl 3562332 NRXZCBCOPCSDCZ-UHFFFAOYSA-N 328.626 4.506 0 40 EJAB CC[C@@H](O)c1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1 4386178 XTKBUHKIJUOAKQ-MRXNPFEDSA-N 335.234 4.835 0 40 EJAB O=C(CSc1cccc2cccnc12)Nc1ccccc1Cl 4393403 XMBFCTNUESMLTO-UHFFFAOYSA-N 328.824 4.619 0 40 EJAB Cc1ccc([C@H]2c3cccn3CCN2C(=O)Nc2ccc(F)cc2)cc1 5256421 AQJRYHXPHCPRFW-FQEVSTJZSA-N 349.409 4.573 0 40 EJAB CC(C)c1ccccc1OCC(=O)Nc1ccc(C(F)(F)F)cc1 6392260 CUSRBXRCOLBZRG-UHFFFAOYSA-N 337.341 4.846 0 40 EJAB COc1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc(OC)c1C 6508784 NLTKFZLQCNEBSK-UHFFFAOYSA-N 340.206 4.571 0 40 EJAB O=C(O)c1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)cc1 6882438 ICYAGMYGTJHZCU-UHFFFAOYSA-N 341.750 4.551 0 40 EJAB Cc1ccc([C@H](NC(=O)c2ccc(Cl)nc2)c2ccccc2)cc1 8342746 CTDQXYOSEATUGA-LJQANCHMSA-N 336.822 4.563 0 40 EJAB CCOc1ccc2ccccc2c1C(=O)Nc1cccc([C@@H](C)O)c1 8382805 NHRIQMHSQXDGKV-CQSZACIVSA-N 335.403 4.544 0 40 EJAB C[C@H](Sc1ncnc2ccsc12)c1nnc(-c2cccs2)o1 9450942 DZMPHONZJQILJD-QMMMGPOBSA-N 346.462 4.656 0 40 EJAB Cc1c(C(=O)Nc2cccc3ccccc23)oc2c1[C@@H](O)CC(C)(C)C2 13551236 DWTILTPFXNFRAK-KRWDZBQOSA-N 349.430 4.999 0 40 EJAB Cc1ccccc1CCN1CCOc2nc3c(C)c(C)ccc3cc2C1 13563784 SFAXZUYOPBKMOR-UHFFFAOYSA-N 346.474 4.597 0 40 EJAB C[C@H](Oc1ccc2ccccc2c1)C(=O)N1CCCc2ccccc21 13708785 ATKKFEQKKVCNMR-INIZCTEOSA-N 331.415 4.587 0 40 EJAB Cc1ccc(S[C@H](C)C(=O)Nc2cccc(OC(C)C)c2)cc1 13942010 JNXAOBDHADIPEG-OAHLLOKOSA-N 329.465 4.902 0 40 EJAB Cc1nc(-c2cccs2)c(CC(=O)NCCC2=CCCCC2)s1 15840054 NBJKOBKPLKDDSW-UHFFFAOYSA-N 346.521 4.729 0 40 EJAB Clc1ccc2[nH]c(SCc3nnc(-c4ccccc4)o3)nc2c1 17877165 LJZDDVXSINJGQT-UHFFFAOYSA-N 342.811 4.559 0 40 EJAB aggregator Cc1ccc(NC(=S)NCCSCc2ccccc2)c(C)c1 18162786 FZZSTGNZPXDTQX-UHFFFAOYSA-N 330.522 4.523 0 40 EJAB COc1ccc(-c2cc(C(=O)Oc3ccc(Cl)c(C)c3)no2)cc1 21786517 GRPDGUGKIHEVEQ-UHFFFAOYSA-N 343.766 4.531 0 40 EJAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(C(C)C)cc3)cc2)n1 27970468 QKVOACSFEAXBQA-UHFFFAOYSA-N 347.462 4.924 0 40 EJAB O=C(c1ccc(-c2ccc(Cl)cc2)o1)N(Cc1ccco1)C1CC1 29269888 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Cc1ccc(C(=O)Nc2nnc(SCC(C)C)s2)c(Cl)c1 225006207 OGFRTRDDYTWSJL-UHFFFAOYSA-N 341.889 4.500 0 40 EJAB CC(C)[C@H](C)NC(=O)c1cccc(OCc2ccccc2Cl)c1 225222499 WXQHDMNUYABYED-AWEZNQCLSA-N 331.843 4.693 0 40 EJAB CCOc1ccc(C(=O)N[C@H](CC)c2ccc(OC)c(C)c2)cc1C 225646779 QTMCZRZLEYZPOP-GOSISDBHSA-N 341.451 4.592 0 40 EJAB C[C@@H]1CC[C@](C)(COC(=O)[C@H]2C(=O)[C@@]3(C)CC[C@H]2C3(C)C)C1(C)C 245239279 HCERMHIQIKFMFV-HDBZDWNXSA-N 334.500 4.633 0 40 EJAB O=C1c2ccccc2N[C@H](c2ccccn2)N1c1ccc(Cl)cc1 128709 YLOCCTNZHHPWTC-SFHVURJKSA-N 335.794 4.506 0 40 EJAB O=C(COc1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1 320445 RXAHXBOJWUKKJL-UHFFFAOYSA-N 330.598 4.664 0 40 EJAB O=C(Nc1ccccc1C(F)(F)F)c1ccc(OC(F)F)cc1 374420 ZCHYDRPHFXKGHG-UHFFFAOYSA-N 331.240 4.559 0 40 EJAB Cc1ccc2cc(C)c(SCC(=O)Nc3ccc(F)cc3)nc2c1 421038 PJCGDARZVZZLDJ-UHFFFAOYSA-N 340.423 4.722 0 40 EJAB Cc1nc(NC(=O)c2ccc(C(C)C)cc2)ccc1Br 515033 FOEPRFAKUYNXGN-UHFFFAOYSA-N 333.229 4.528 0 40 EJAB CCc1cccc(-n2c(-c3ccco3)nc3nc4ccccc4nc32)c1 522151 PJNDSAMPJMZCOB-UHFFFAOYSA-N 340.386 4.791 0 40 EJAB Cc1ccc(NC(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)cc1 1016833 GJFMVVDKMYZIOG-INIZCTEOSA-N 335.363 4.564 0 40 EJAB Cc1cc(C(F)(F)F)n(-c2nc(-c3ccc(Cl)cc3)cs2)n1 1407173 XBDYSGHDVGJJCZ-UHFFFAOYSA-N 343.761 4.976 0 40 EJAB O=C(N[C@H]1C[C@@H](c2ccccc2)Oc2ccccc21)c1ccccc1 1702585 NHBLIZLZYDJDKC-FPOVZHCZSA-N 329.399 4.682 0 40 EJAB CCCCCn1c([C@H](Cc2ccccc2)NC(C)=O)nc2ccccc21 1927012 LIGYTMOJMOXDQB-FQEVSTJZSA-N 349.478 4.646 0 40 EJAB CCCCN(CC)C[C@@H](O)COc1cc(C)c(Cl)cc1C(C)C 3395582 NCNVKWBAPUWAEI-MRXNPFEDSA-N 341.923 4.634 0 40 EJAB CCOC(=O)c1sc(Nc2nc3c(F)cccc3s2)cc1C 4137686 SQUGXPCHJRAJLW-UHFFFAOYSA-N 336.413 4.726 0 40 EJAB CC(C)c1ccc(/C=C/C(=O)Nc2ccc(Cl)c(C(=O)O)c2)cc1 4679938 HDCVNZBLSZJSRB-BJMVGYQFSA-N 343.810 4.814 0 40 EJAB Cc1ccc2nsnc2c1NC(=O)c1ccc(C(C)(C)C)cc1 5710647 FIQDHORBVIIFHQ-UHFFFAOYSA-N 325.437 4.550 0 40 EJAB COc1ccc2ccccc2c1[S@@](=O)Nc1cc(C)cc(C)c1 5724842 SQECMLOLFXWRQE-QHCPKHFHSA-N 325.433 4.600 0 40 EJAB C[C@H](Nc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1Cl 7382637 VKLISGCIRZOVJM-VIFPVBQESA-N 327.186 4.572 0 40 EJAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(Cl)cc1Cl 8493869 FDLXUYBTGOGCIK-CQSZACIVSA-N 342.197 4.929 0 40 EJAB COc1ccccc1Nc1ccc(NC(=O)c2ccccc2F)cc1 12554877 PZOSNEBBPSNRAB-UHFFFAOYSA-N 336.366 4.830 0 40 EJAB Cc1[nH]c2ccc(C(=O)NCc3cccc(C(F)(F)F)c3)cc2c1C 15976888 IVNJVOQKYAQAQR-UHFFFAOYSA-N 346.352 4.734 0 40 EJAB CCc1cccc(CC)c1NC(=O)[C@@H](C)Sc1ccc(OC)cc1 20104941 YTGAIEMYLRXDKB-CQSZACIVSA-N 343.492 4.939 0 40 EJAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N[C@@H](C)CCc1ccccc1 20491658 GWPVFUNLYDXSLT-FXAWDEMLSA-N 339.479 4.598 0 40 EJAB CCOc1ccc(C(=O)Nc2ccc3nc(CC)sc3c2)cc1C 22254885 TVOURXBPLRNKIR-UHFFFAOYSA-N 340.448 4.818 0 40 EJAB C[C@@H](O)CNCc1ccc(N(c2ccccc2)c2ccccc2)cc1 39976524 GERPRZSRWJFGGM-GOSISDBHSA-N 332.447 4.627 0 40 EJAB OC1=Nc2ccsc2[C@@H](c2cccc(OC(F)F)c2)SC1 71283128 KUTJLPLGPPMQCT-GFCCVEGCSA-N 327.377 4.774 0 40 EJAB Fc1ccc(-c2nccnc2[C@@H]2CCCN(Cc3ccccc3)C2)cc1 72358345 ATUAVQMDCVJLMD-LJQANCHMSA-N 347.437 4.662 0 40 EJAB O=C(CCc1cccc(F)c1)N1C[C@@H]2CCCC[C@]21c1ccccc1 79103435 IDKSESRUUSBINI-UGKGYDQZSA-N 337.438 4.686 0 40 EJAB Brc1cc2c(s1)-c1sc(Br)cc1C2 91301380 QDCGLGXROCRIBM-UHFFFAOYSA-N 336.073 4.906 0 40 EJAB COCc1ccc([C@H]2CCCN2[C@@H](C)c2ncc(C(C)(C)C)o2)o1 131201420 BWYMMIASFOEPAU-DZGCQCFKSA-N 332.444 4.610 0 40 EJAB O=C(O)c1ccc2c(c1)[C@H]1[C@H]([C@H]3CC[C@@H]1C3)[C@@H](c1ccccc1F)N2 169702398 YEKIJPBPCQBBIK-NQJLJZTISA-N 337.394 4.820 0 40 EJAB CSc1cccc(NC(=O)COc2ccc(C(C)(C)C)cc2)c1 218929110 FEJNIFOSSOEPKA-UHFFFAOYSA-N 329.465 4.724 0 40 EJAB CCc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1 222722111 GOZYSWPCZVRVEZ-KGLIPLIRSA-N 331.843 4.547 0 40 EJAB CC[C@@H](Oc1ccccc1)C(=O)N[C@H](CC)c1ccc(C)cc1C 222867821 RNNZDRVLAFJAHU-WOJBJXKFSA-N 325.452 4.728 0 40 EJAB CCCCc1ccc(NC(=O)COc2cccc3cccnc23)cc1 223136535 SUYAIRDKPUQMMX-UHFFFAOYSA-N 334.419 4.595 0 40 EJAB Cc1cccc(C[C@H](Oc2ccc(-c3ccccc3)cc2)C(=O)O)c1 225018012 QPTZZMZHXXVFNY-NRFANRHFSA-N 332.399 4.737 0 40 EJAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2)c1ccccc1 225544102 XJBCLOXJODHPDD-IIBYNOLFSA-N 337.463 4.600 0 40 EJAB CCCCOC(=O)c1ccc(NC(=O)c2cc(C)c(C)cc2C)cc1 225648043 LLHYRZKJKOTIIR-UHFFFAOYSA-N 339.435 4.821 0 40 EJAB O=C(Nc1cccc([N+](=O)[O-])c1)C1[C@H]2CCC=CCCC=CCC[C@H]12 27731 MWKIJKCNHZZODI-ADUPEVMXSA-N 340.423 4.862 0 40 EJAB O=C(Cc1ccc(Cl)cc1)Nc1ccc(N2CCCC2)c(Cl)c1 559883 QCIXXKKLHKFGIA-UHFFFAOYSA-N 349.261 4.775 0 40 EJAB Cc1onc(-c2ccccc2)c1C(=O)Nc1ccccc1C(F)(F)F 998914 XDTDFIYMYJKYJN-UHFFFAOYSA-N 346.308 4.921 0 40 EJAB COc1cc(C(F)(F)F)nc(Oc2cc(Cl)ccc2Cl)n1 1390166 ZOOXBAUHUSSTAO-UHFFFAOYSA-N 339.100 4.603 0 40 EJAB COc1cc(N[C@H](C)CN(CC(C)C)CC(C)C)c2ncccc2c1 1656153 USEIZQSPHUMIPW-QGZVFWFLSA-N 343.515 4.658 0 40 EJAB C[C@H](CCc1ccccc1)NC(=O)CSc1ccc(Cl)cc1 3222808 JDVLKZTWONALTB-CQSZACIVSA-N 333.884 4.570 0 40 EJAB Cc1sc2nc(-c3cccnc3)nc(N[C@@H](C)C(C)C)c2c1C 3455517 UEPRMEYLMRRZNR-LBPRGKRZSA-N 326.469 4.827 0 40 EJAB CCOC(=O)c1ccc2c(c1)nc(SCc1ccccc1)n2CC 5611082 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333.431 4.875 0 40 EJAB Cc1[nH]c2ccc(C(=O)N(C)Cc3c(F)cccc3Cl)cc2c1C 29367525 ZJFJCBVDLSQPJN-UHFFFAOYSA-N 344.817 4.849 0 40 EJAB Cc1ccc(-c2nc(C)c(C(=O)N[C@@H](C)c3cccs3)s2)o1 31203305 HUXYMBHANLSBKS-JTQLQIEISA-N 332.450 4.572 0 40 EJAB Cc1cccc(-c2noc(-c3cccnc3NCc3ccccc3)n2)c1 33004320 VYHUBAWPEKLTIF-UHFFFAOYSA-N 342.402 4.719 0 40 EJAB Cc1cc(NC(=O)[C@H](C)SCCC23CC4CC(CC(C4)C2)C3)no1 40018147 GSXNMZHOFRFCKZ-IWUURBKTSA-N 348.512 4.650 0 40 EJAB C[C@@H](NC(=O)c1[nH]c2ccc(F)cc2c1Cl)c1ccc(F)cc1 40144554 TYUXNEMIYOJPHV-SECBINFHSA-N 334.753 4.591 0 40 EJAB C[C@H](NC(=O)c1[nH]c2ccc(F)cc2c1Cl)c1ccccc1F 40144948 KZMUPJFFVQBSIF-VIFPVBQESA-N 334.753 4.591 0 40 EJAB CCOCCOCc1cccc(NC(=O)Nc2ccc(Cl)cc2)c1 48356313 CWIFFTJHCDUYKU-UHFFFAOYSA-N 348.830 4.537 0 40 EJAB Cc1cccc(C)c1NC(=O)c1cc(-c2ccccc2Cl)[nH]n1 57412209 IZPKVSNWPUBXEE-UHFFFAOYSA-N 325.799 4.599 0 40 EJAB Cc1cc2nc(-c3ccc(I)cc3)oc2cc1C 73639047 CRMFWHMAGSPDIJ-UHFFFAOYSA-N 349.171 4.716 0 40 EJAB O=C(c1ccc(Cl)s1)N(Cc1ccoc1)Cc1cccs1 90612102 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4.836 0 40 EJAB C[C@@H](NC(=O)c1ccc(-c2ccccc2F)o1)c1ccc(F)cc1 8305379 AGGRIHMJQCLSOK-GFCCVEGCSA-N 327.330 4.716 0 40 EJAB Cc1c2c(cc3c4c(c(=O)oc13)CCC4)C=C[C@]1(CCC[C@H](C)C1)O2 9340856 YBQWDODECSFRAJ-XMHCIUCPSA-N 336.431 4.945 0 40 EJAB Cc1cc2occ(CC(=O)N[C@H](c3ccccc3)C3CC3)c2cc1C 11213853 BIMIMQNBYJCRNG-JOCHJYFZSA-N 333.431 4.860 0 40 EJAB O=C(Nc1nc2ccc(Cl)cc2s1)[C@H]1Cc2ccccc2S1 11504285 RKQVPISUKAOXKQ-CQSZACIVSA-N 346.864 4.605 0 40 EJAB C[C@@H](NC(=O)c1ccccc1C(F)(F)F)c1cc2ccccc2o1 12976983 OLINZXNMAGPZAB-LLVKDONJSA-N 333.309 4.943 0 40 EJAB Cc1ccc(Nc2nn(-c3ccccc3)c3c2C(=O)CCC3)c(C)c1 17068092 QVVGCARHDIJAAE-UHFFFAOYSA-N 331.419 4.752 0 40 EJAB CCCc1nnc(NC(=O)c2cccc(Oc3ccccc3)c2)s1 18889586 CHCHIOVIVODXSR-UHFFFAOYSA-N 339.420 4.535 0 40 EJAB C[C@@H](NC(=O)CSCc1ccccc1Cl)c1ccc(F)cc1 20454341 ZTZUMNFHOGVJHH-GFCCVEGCSA-N 337.847 4.590 0 40 EJAB Cc1ccc(NC(=O)Nc2ccc(-n3cc(Cl)cn3)cc2)c(C)c1 28220167 KYVMMUTVCWVRBB-UHFFFAOYSA-N 340.814 4.787 0 40 EJAB 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348.421 4.757 0 40 EJAB Cc1ccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(C)c(C)c2)c(C)c1 59351395 GCHCJIDKUSZWDW-ZWKOTPCHSA-N 325.452 4.565 0 40 EJAB Cc1sc(-c2ccco2)nc1C(=O)N(C)C1CCCCCCC1 84057099 FZJKMFUVIQMVAR-UHFFFAOYSA-N 332.469 4.896 0 40 EJAB CC(C)c1ccc(N2C(=S)N[C@H]3C[C@@]2(C)Oc2ccccc23)cc1 101094747 QHVZPDZSZNBGRJ-FXAWDEMLSA-N 338.476 4.745 0 40 EJAB O=C(/C=C/c1ccco1)N1CCS[C@@H](c2ccccc2Cl)CC1 211145778 NAFDBGYTCSOUIW-IWAYRVGRSA-N 347.867 4.653 0 40 EJAB O=C(CCc1ccccc1F)Nc1ccc(OCc2ccccc2)cc1 223001088 IBPFZILELICNNF-UHFFFAOYSA-N 349.405 4.976 0 40 EJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NC[C@@H](C)c1ccccc1 224460051 SFPHTOUHFLNXDO-VGOFRKELSA-N 347.458 4.917 0 40 EJAB CCOc1ccc(C(=O)Nc2cccc(OC(C)C)c2)cc1OCC 225062276 JDPJTKYTYOYSBG-UHFFFAOYSA-N 343.423 4.524 0 40 EJAB Cc1ccc(NC(=S)NCC2(c3ccc(F)cc3)CCCC2)cc1 225809695 YMYSMQFBEUORAT-UHFFFAOYSA-N 342.483 4.933 0 40 EJAB CCCCc1ccc(NC(=O)c2cnn(Cc3ccccc3)c2)cc1 225889959 SFPADXCDKDUYOO-UHFFFAOYSA-N 333.435 4.526 0 40 EJAB 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4.699 0 40 EJAB c1ccc2c(c1)CCC[C@@H]2NCc1ccc(OCc2ccncc2)cc1 30543933 VZNFAOSVKUCIJZ-QHCPKHFHSA-N 344.458 4.828 0 40 EJAB O[C@H](COc1cccc2ccccc12)CSc1ccc(F)c(F)c1 32751131 WPVQEASUAMKUSX-CQSZACIVSA-N 346.398 4.650 0 40 EJAB C[C@H]1CCCN(c2nc(-c3ccc(Cl)cc3)cc(C(F)F)n2)C1 36612832 YTFSAJLUNSPHQU-NSHDSACASA-N 337.801 4.971 0 40 EJAB Cc1cccc(/C=C(/C(=O)N2CCCCCC2)c2cccs2)c1 40050358 VHWXCQLOHKVDGC-OBGWFSINSA-N 325.477 5.000 0 40 EJAB O=C(Cc1cccs1)Nc1ccc(SCc2cccnc2)cc1 40477550 FOWBOESAZNKMJR-UHFFFAOYSA-N 340.473 4.617 0 40 EJAB Cc1cnc(C(=O)N(c2ccc(Nc3ccccc3)cc2)C(C)C)cn1 60542933 ZLBKPPSKLKQIFY-UHFFFAOYSA-N 346.434 4.584 0 40 EJAB S=C(Nc1ccc2c(c1)CCC2)N[C@H]1CCc2c(Cl)cccc21 63790831 HIZFRAXEBNKESG-SFHVURJKSA-N 342.895 4.803 0 40 EJAB Cc1cc(N2CCCC2)ncc1[C@@H]1CCCCN1Cc1ccccc1 72218886 JBWLFTHCNTYOLO-NRFANRHFSA-N 335.495 4.717 0 40 EJAB Cc1ccc(Cc2cccc([C@@H]3CCCN3Cc3cccnc3)n2)cc1 72357675 UPVLEXGNBMIXTI-QHCPKHFHSA-N 343.474 4.713 0 40 EJAB Cc1cc(Cl)c2[nH]c(Cc3ccc(Br)cc3)nc2c1 216912139 GBISIKGZRDPXNJ-UHFFFAOYSA-N 335.632 4.878 0 40 EJAB S=C(NCc1cccc2ccccc12)Nc1ccc(Cl)cc1 222898438 FARNLNWWHKWHCD-UHFFFAOYSA-N 326.852 4.980 0 40 EJAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NC[C@H](C)c1ccccc1 224284692 NKILOYMNVIZFNB-DLBZAZTESA-N 333.431 4.527 0 40 EJAB C[C@@H](SCc1ccccc1)C(=O)Nc1ccc(N2CCCC2)cc1 224898171 ZFXRICFMAFVJDC-MRXNPFEDSA-N 340.492 4.547 0 40 EJAB COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(C)c(C)c2)cc1 225291489 ZDLCLNAKHKRQLF-FQEVSTJZSA-N 325.452 4.829 0 40 EJAB CC(C)Oc1cccc(NC(=O)CSc2ccc(Cl)cc2)c1 408564596 XQABESDLFZFDRE-UHFFFAOYSA-N 335.856 4.858 0 40 EJAB CCCN1C(=O)S/C(=C/c2c(OCC)ccc3ccccc23)C1=O 409229830 ACCGOBPKSDTDFV-SFQUDFHCSA-N 341.432 4.685 0 40 EJAB c1ccc(Cc2nc(SCc3cccc4ccccc34)n[nH]2)cc1 409384697 CTDXEXHWQTUQIB-UHFFFAOYSA-N 331.444 4.841 0 40 EJAB CCOC(=O)c1c(C)[nH]c(-c2csc(-c3ccccc3)n2)c1C 63778 WOJWASBHBOQWLC-UHFFFAOYSA-N 326.421 4.599 0 40 EJAB CC(C)CNC(=O)c1ccc(COc2cc(Cl)ccc2Cl)o1 115452 CHCOYBRXYYZNSW-UHFFFAOYSA-N 342.222 4.551 0 40 EJAB COc1ccc(NCc2nc3ccccc3n2Cc2ccccc2)cc1 178665 DJBOPICVOPLWDG-UHFFFAOYSA-N 343.430 4.705 0 40 EJAB CCCC1CCC(c2ccc(C(=O)N[C@H](C(=O)O)C(C)C)cc2)CC1 248475 SKMKUWKJBZSEJH-RJYAGPCLSA-N 345.483 4.600 0 40 EJAB CCOc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)cc1 559722 WIIGAFHCQJKUGB-UHFFFAOYSA-N 338.451 4.574 0 40 EJAB CCC(=O)O[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C 2099640 ULJOJMSGJSWPSE-BHNQRHOYSA-N 342.479 4.616 0 40 EJAB biogenic C[C@@H]1C[C@@H](C)CN(c2nc(-c3ccccc3F)nc3ccccc23)C1 2212599 CFBQVHQSIOEIPP-HUUCEWRRSA-N 335.426 4.918 0 40 EJAB Cn1c(SCc2ccc(F)cc2)nnc1-c1cccc(Cl)c1 2523588 ZONWXPBGRRVLGR-UHFFFAOYSA-N 333.819 4.567 0 40 EJAB Cc1ccc([C@H]2O[C@H]2C(=O)c2ccccc2OCc2ccccc2)cc1 3120607 KAFWCLJYZXXPQF-PKTZIBPZSA-N 344.410 4.897 0 40 EJAB COc1ccc(CSc2nnc(Nc3ccccc3)s2)cc1F 3380990 DCYIGQTZPQBODO-UHFFFAOYSA-N 347.440 4.722 0 40 EJAB O=C(/C=C/c1cccs1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 4033920 UZOXONCJUWLMIP-VAWYXSNFSA-N 345.427 4.943 0 40 EJAB CCc1ccc(CSc2nnc(-c3ccc(OC)cc3)o2)cc1 4050260 DNDCFGQRMBUHGH-UHFFFAOYSA-N 326.421 4.600 0 40 EJAB Cc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2)cc1 4320343 IYQNEJZTLTVZFW-FQEVSTJZSA-N 332.378 4.905 0 40 EJAB c1ccc(COc2ccc(CNc3nc4ccccc4[nH]3)cc2)cc1 4741725 NJPXZBKSMYTHRA-UHFFFAOYSA-N 329.403 4.754 0 40 EJAB C[C@@H]1CCCCN1c1ccc(NC(=O)c2cccc(Cl)c2)cc1 14268885 AQKXWSMULZQSPS-CQSZACIVSA-N 328.843 4.971 0 40 EJAB O=C(Nc1cccc(C2SCCS2)c1)c1cc2ccccc2[nH]1 15037679 ACRWYKSQBUMGTI-UHFFFAOYSA-N 340.473 4.899 0 40 EJAB CC[C@H](Oc1ccccc1[C@@H](C)CC)C(=O)Nc1cc(N)ccc1C 19736724 PBYZPQVAQPNFDE-LIRRHRJNSA-N 340.467 4.887 0 40 EJAB C[C@H](c1nnc(-c2cccc(Cl)c2)o1)N1CCc2ccccc2C1 20962620 QYZYIHZSJPKCRT-CYBMUJFWSA-N 339.826 4.509 0 40 EJAB Cc1nn(Cc2cccc(F)c2)c(C)c1NC(=O)CCC1CCCC1 27922312 IDKNUEPXWXCZOG-UHFFFAOYSA-N 343.446 4.596 0 40 EJAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCSC(C)(C)C 30751295 GYBJCVKDURJGCQ-AWEZNQCLSA-N 345.961 4.859 0 40 EJAB C[C@H]1Cc2ccccc2N1C(=O)c1cccc(OCc2cccs2)c1 32940390 VLKXPAAYCJQSFH-HNNXBMFYSA-N 349.455 4.919 0 40 EJAB COc1ccc(-c2nc3cnccn3c2Nc2cccc(C)c2C)cc1 35622639 QNHJQHTUNFRVNZ-UHFFFAOYSA-N 344.418 4.765 0 40 EJAB Fc1cccc(NCc2nc(-c3cccc(C(F)(F)F)c3)no2)c1 40032403 XXXUKYWHRLRLSH-UHFFFAOYSA-N 337.276 4.507 0 40 EJAB CCN(Cc1cccc(F)c1)C(=O)c1c(C)oc2ccc(OC)cc12 48290976 LTCYHXCLWATWGS-UHFFFAOYSA-N 341.382 4.551 0 40 EJAB FC(F)(F)Oc1ccc([C@H]2NCc3ccccc3-n3cccc32)cc1 55211070 JJEXDQGGUVTJJC-GOSISDBHSA-N 344.336 4.569 0 40 EJAB Fc1cc(Br)ccc1NC(=S)NC1CCCCCC1 59114287 OTJWXTBFKDGYGW-UHFFFAOYSA-N 345.281 4.597 0 40 EJAB C[C@H](c1ccccc1Cl)N(CC(=O)Nc1ccccc1)C1CC1 59334063 MUIJJAQNBWDMNX-CQSZACIVSA-N 328.843 4.504 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccccc2Cl)cc1C 59351238 HGJFFJNSBOWECP-CABCVRRESA-N 331.843 4.602 0 40 EJAB CCOc1ccc(NC(=O)N(CC)[C@H](CC)c2ccncc2)c(C)c1 75144128 HAMKBTFRQZNSGQ-LJQANCHMSA-N 341.455 4.794 0 40 EJAB Cc1ccc(CN[C@H](C)c2ccc(Oc3cccnc3)c(F)c2)nc1 95416690 OPFHXODUGVALLU-OAHLLOKOSA-N 337.398 4.567 0 40 EJAB O=c1[nH]c2c(s1)[C@@H](c1ccc(Cl)cc1)[C@H]1[C@@H]3CC[C@H](C3)[C@H]1S2 100860014 ATOKCVQCCLMGBV-IGJDLRFWSA-N 349.908 4.742 0 40 EJAB Cc1cccc(C(=O)Nc2cc(N3CCCC[C@@H]3C)c(C)cc2N)c1 216867177 SKUSFOBCLIVPFH-INIZCTEOSA-N 337.467 4.517 0 40 EJAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCCSC(C)(C)C)c1 223208959 NWDPUUMFSXFIMV-HNNXBMFYSA-N 337.529 4.534 0 40 EJAB CCOc1ccc(C(=O)Nc2cc(C)ccc2C)cc1COC(C)C 224714738 UMUXJMGWKQCPRS-UHFFFAOYSA-N 341.451 4.879 0 40 EJAB CCCOc1ccc(NC(=O)[C@](C)(CC)OCC)c2ccccc12 225817932 HSSZBWWCIHXWSE-FQEVSTJZSA-N 329.440 4.772 0 40 EJAB CCOc1ccc(C(=O)N[C@@H](CC)c2ccc(OC)cc2)cc1Cl 225849233 JROAAEHBKZMQLW-KRWDZBQOSA-N 347.842 4.628 0 40 EJAB Cc1nc(-c2ccc(C(=O)Nc3cccc(F)c3)cc2)c(C)s1 408579682 JNZVXUNSSBTOKC-UHFFFAOYSA-N 326.396 4.818 0 40 EJAB O=C1S/C(=C/c2ccc(C(F)(F)F)cc2)C(=O)N1c1ccccc1 408902122 KJWROVLKIRZHQC-GXDHUFHOSA-N 349.333 4.946 0 40 EJAB Cc1ccc(S[C@H](C)C(=O)NCCSCc2ccccc2)cc1 409172234 DRCBZXMOWDJUPQ-MRXNPFEDSA-N 345.533 4.525 0 40 EJAB CC[C@@H]1CN(C(=O)Cc2cccc3ccccc23)c2ccccc2O1 1126597078 MLZPHCLLPPHATI-GOSISDBHSA-N 331.415 4.587 0 40 EJAB O=C(Cc1c(F)cccc1Cl)NCc1cc(-c2ccco2)cs1 1775968276 AVMAYCRUOHEGRN-UHFFFAOYSA-N 349.814 4.660 0 40 EJAB CC(=O)N(c1ccccc1)[C@H](C(=O)c1ccccc1)c1ccccc1 1555428 UGHPGBNFXXYGSP-NRFANRHFSA-N 329.399 4.664 0 40 EJAB CC1(C)C[C@H]2C[C@](C)(CN2c2ncnc3c2[nH]c2ccc(F)cc23)C1 2310185 NCOAPQJQLYUNEA-RBZFPXEDSA-N 338.430 4.655 0 40 EJAB CN(Cc1c(F)cccc1Cl)C(=O)CCc1c[nH]c2ccccc12 3345906 CTVATPZGQXFWSA-UHFFFAOYSA-N 344.817 4.552 0 40 EJAB CC(C)c1ccc(C(=O)OCC(=O)Nc2ccccc2C(C)C)cc1 3358534 HSUZKOSFXXUWDV-UHFFFAOYSA-N 339.435 4.729 0 40 EJAB CN(C)c1ccc(SCOCSc2ccc(N(C)C)cc2)cc1 4718289 YOGWKASPFMHQRU-UHFFFAOYSA-N 348.537 4.635 0 40 EJAB O=C(C[C@H](C(=O)O)c1c(F)cccc1Cl)c1ccc(Cl)cc1 5344193 CVNAUENCSVSXRV-NSHDSACASA-N 341.165 4.574 0 40 EJAB COc1ccccc1CN(C)Cc1csc(-c2ccc(C)cc2)n1 6847630 ILOGQUNYGMSPIR-UHFFFAOYSA-N 338.476 4.759 0 40 EJAB CCOc1ccc(NC(=O)CCC(=O)c2ccc3ccccc3c2)cc1 7942846 NUCGMGBQUMPWGW-UHFFFAOYSA-N 347.414 4.840 0 40 EJAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 8041041 LPOOFSOZZITTLK-MRXNPFEDSA-N 337.341 4.810 0 40 EJAB CCCCOc1ccc(C(=O)Nc2ccc(OCC)cc2)cc1OC 8286120 NVSAYHTVFRCBAH-UHFFFAOYSA-N 343.423 4.525 0 40 EJAB O=C(CSc1nnc(C2CCCCC2)o1)c1c[nH]c2ccccc12 8751584 WQDKCAZSAFMKQR-UHFFFAOYSA-N 341.436 4.574 0 40 EJAB CCCc1noc([C@H](C)Sc2nc(C3CC3)nc3ccccc23)n1 13013603 XBEUEFUSIKPDFH-NSHDSACASA-N 340.452 4.696 0 40 EJAB Cc1ccc(S[C@@H](C)C(=O)Nc2cccc(OC(C)C)c2)cc1 13942012 JNXAOBDHADIPEG-HNNXBMFYSA-N 329.465 4.902 0 40 EJAB Cc1cc(C)cc(-c2nc3cc(NC(=O)c4cccnc4)ccc3o2)c1 14258050 FXPCBWCKPXNSJR-UHFFFAOYSA-N 343.386 4.759 0 40 EJAB CS(=O)(=O)c1ccc(-c2csc(-c3cccc(Cl)c3)n2)cc1 18941301 GCUJBKOHLQLDDG-UHFFFAOYSA-N 349.864 4.534 0 40 EJAB CC(C)c1ccc2nc(NC(=O)C(C)(C)Br)sc2c1 20133215 AQEABVFRXDQIPZ-UHFFFAOYSA-N 341.274 4.532 0 40 EJAB Cc1cc(-c2nc(-c3ccc4nc(O)oc4c3)cs2)ccc1F 23625160 YLRUUXSYFSOXEI-UHFFFAOYSA-N 326.352 4.771 0 40 EJAB CC(=O)Nc1cc(NCc2c(C)cc(C)c(C(C)=O)c2C)ccc1F 24368117 INWKHAVXTMBPGE-UHFFFAOYSA-N 342.414 4.524 0 40 EJAB S=c1[nH]cc(-c2ccc(Br)cc2)n1Cc1ccco1 26423092 AYSHKXMMGPMNTN-UHFFFAOYSA-N 335.226 4.616 0 40 EJAB O=C(Nc1c(-c2ccc(Cl)cc2)nc2ccccn12)c1ccco1 26963187 JAQANDPMHGBOPC-UHFFFAOYSA-N 337.766 4.500 0 40 EJAB O=C(c1cccs1)N(Cc1ccco1)Cc1c(F)cccc1Cl 28250910 YOWRERCSYSRAFH-UHFFFAOYSA-N 349.814 4.976 0 40 EJAB Cc1nc(CSCC(=O)Nc2ccc(C(C)(C)C)cc2)cs1 32808550 VOCYUATZIKAEJE-UHFFFAOYSA-N 334.510 4.621 0 40 EJAB O=C(/C=C\c1cccs1)Nc1nc(-c2ccc(F)cc2)cs1 33314024 VWVAORNPJFLDEG-FPLPWBNLSA-N 330.409 4.663 0 40 EJAB COc1ccccc1Nc1c(-c2ccc(O)cc2)nc2cccc(C)n12 35616194 UYTGWUUUJWIUOY-UHFFFAOYSA-N 345.402 4.768 0 40 EJAB COC(=O)c1nc(-c2ccc(C)cc2)oc1Sc1ccc(C)cc1 35681765 LUUCRFVDNHUZBX-UHFFFAOYSA-N 339.416 4.896 0 40 EJAB Clc1ccc(-c2nnc([C@H]3CCN(C4CCCCC4)C3)o2)cc1 49169412 HPPAALSQYQTYQD-AWEZNQCLSA-N 331.847 4.512 0 40 EJAB biogenic,in-vitro O=C(NCc1ccoc1)Nc1cccc(-c2nc3ccccc3s2)c1 61041977 TZLKEYHGFCYLBC-UHFFFAOYSA-N 349.415 4.878 0 40 EJAB CCOc1ccc(-c2csc(-c3cccc(N)c3)n2)cc1OCC 76560857 GQPOUUOUHXVDNA-UHFFFAOYSA-N 340.448 4.857 0 40 EJAB CCC[C@H]1CCCN(C(=O)c2sc(C)cc2OC(F)F)CC1 78725564 BIBPDCBXSMNPBU-LBPRGKRZSA-N 331.428 4.700 0 40 EJAB C[C@@H](C(=O)Nc1ccc(C(F)(F)F)nc1)c1cc2ccccc2o1 95445727 PJNUWCKWMZKMBP-SNVBAGLBSA-N 334.297 4.589 0 40 EJAB CC[C@H](c1ccncc1)N(C)Cc1cc(-c2ccc(Cl)cc2)no1 95446809 XFSQLIDUCUYMLK-LJQANCHMSA-N 341.842 4.973 0 40 EJAB CC1(C)C[C@@H](NCCc2cccc3cccnc23)c2ccccc2O1 95967249 QOVAVUUEDJBWFM-LJQANCHMSA-N 332.447 4.669 0 40 EJAB CC(C)(C)CN(CC(C)(C)C)C(=O)c1ccc(C(F)(F)F)nc1 95984556 NNCBGWWONFEIMG-UHFFFAOYSA-N 330.394 4.635 0 40 EJAB C[C@@H](NC(=O)C1c2ccccc2Oc2ccccc21)[C@H]1C[C@H]2CC[C@H]1C2 102606966 NWULNUHXJNDWKR-PASDCYSWSA-N 347.458 4.865 0 40 EJAB Cc1ccc([C@H](C)NC(=O)COc2ccccc2C(C)(C)C)cc1C 222801698 LXJLZMFCTRDEEC-KRWDZBQOSA-N 339.479 4.857 0 40 EJAB COc1cc(C)c([C@H](C)NC(=O)Cc2ccccc2)cc1C(C)C 223266237 JINUOGSQMQDNOU-INIZCTEOSA-N 325.452 4.547 0 40 EJAB CCN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(Cl)cc1 224709199 INANSINIHXKTEX-UHFFFAOYSA-N 344.263 4.517 0 40 EJAB CCCOc1ccc(NC(=O)[C@@]2(OCC)CCC[C@@H](C)C2)cc1C 225717069 AUCIGJVVFDUDKV-FOIQADDNSA-N 333.472 4.708 0 40 EJAB CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@H]3CC[C@@]2(C)C1 253617433 MBXPDDMFPRWSTF-IEMMZTIOSA-N 346.511 4.920 0 40 EJAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](C1)C(=O)C[C@@H]1[C@H]3CCC[C@@]3(C)CC[C@H]12 254310100 KDFBVYUYNLYXGM-VBLUMELBSA-N 332.484 4.530 0 40 EJAB c1ccc([C@@H](Cc2ccccn2)NCc2cccc3cccnc23)cc1 390834443 YWQCHSCMHQRJKR-JOCHJYFZSA-N 339.442 4.703 0 40 EJAB O=C(C1CC1)N(c1nnc(-c2ccc(Cl)cc2)s1)C1CCCC1 1345587 IRKZJSVCYXGSBI-UHFFFAOYSA-N 347.871 4.544 0 40 EJAB CCOc1cc([C@H](C)c2ccc(OC)cc2)c(OCC)cc1OC 1587179 WXHKOTJHEIOHDH-CQSZACIVSA-N 330.424 4.653 0 40 EJAB COc1cccc2c1CCC1=C2CC=C2CC3(CC[C@@]21C)OCCO3 1729285 NXXWVWMIAAZIPB-NRFANRHFSA-N 338.447 4.658 0 40 EJAB O=C(Nc1cccc(-c2nc3cccnc3s2)c1)c1ccccc1 2961493 AFAFRKNXTMADDH-UHFFFAOYSA-N 331.400 4.611 0 40 EJAB CCc1cccc(CC)c1NC(=O)[C@H](C)Oc1cccc(Cl)c1 6125535 OERUMRUKYIAFKR-ZDUSSCGKSA-N 331.843 4.871 0 40 EJAB Cc1cccc(NC(=O)CN(C)Cc2ccc3ccccc3c2)c1C 8127331 WJUZARHLJDRCER-UHFFFAOYSA-N 332.447 4.527 0 40 EJAB CCOc1cc(CNC2CCCCCC2)cc(Cl)c1OCC 8253873 JWCGREIHZGRPPB-UHFFFAOYSA-N 325.880 4.950 0 40 EJAB CC(C)(C)c1cc(NC(=O)c2sccc2-c2ccccc2)on1 8345642 RHKKAMRKDLSHDK-UHFFFAOYSA-N 326.421 4.953 0 40 EJAB CC(C)(C)C(=O)NC(=S)Nc1cc(Cl)c(Cl)cc1Cl 8555961 UGHVMEQIARUVOL-UHFFFAOYSA-N 339.675 4.506 0 40 EJAB CCOc1ccc(-c2cc(C(=O)Nc3ccc(C)c(C)c3)no2)cc1 11915161 DYGNVHVIGAXGBC-UHFFFAOYSA-N 336.391 4.609 0 40 EJAB CCc1ccc(C(=O)CCC(=O)Nc2ccc(C)cc2Cl)cc1 12982151 UCVOWPQLYQITTQ-UHFFFAOYSA-N 329.827 4.812 0 40 EJAB C[C@@H]1c2ccsc2CCN1Cc1nnc(-c2ccccc2Cl)o1 16420791 JABUESSGZTZCHY-LLVKDONJSA-N 345.855 4.571 0 40 EJAB C[C@@H](O)c1cccc(NC(=S)Nc2ccc(Cl)cc2Cl)c1 16576754 YBYBHGYOTNCRDS-SECBINFHSA-N 341.263 4.856 0 40 EJAB Cn1cccc1CN1CCCCC[C@@H]1c1cc(-c2cccs2)on1 19291136 CPSYBAJXZOCCGH-QGZVFWFLSA-N 341.480 4.859 0 40 EJAB CCc1ccccc1O[C@H](C)C(=O)Nc1cccc(Cl)c1Cl 20461041 RPDQMLAXEQHJTM-LLVKDONJSA-N 338.234 4.962 0 40 EJAB CC(=O)c1cccc(Oc2nc(-c3ccncc3)nc3ccccc23)c1 24040881 YHGJHXNTOCAVDX-UHFFFAOYSA-N 341.370 4.687 0 40 EJAB Cc1ccccc1Cn1nc(C)c(NC(=O)/C=C/c2ccccc2)c1C 27922057 KBVZPJFSUOEWQI-BUHFOSPRSA-N 345.446 4.509 0 40 EJAB Cc1ccccc1OCc1ccc(C(=O)N2c3ccccc3C[C@H]2C)o1 27972661 OLTSVXLUSRIUJY-MRXNPFEDSA-N 347.414 4.758 0 40 EJAB CSc1ncccc1C(=O)N[C@H](c1cccs1)C1CCCC1 31806108 UDZSXFOOYYCPLI-HNNXBMFYSA-N 332.494 4.526 0 40 EJAB COc1ccc(C(=O)Nc2nc(C)c(-c3ccccc3)s2)cc1F 31968004 BNHUNKCHMFHPER-UHFFFAOYSA-N 342.395 4.519 0 40 EJAB O=C(Nc1ccc(-n2cccn2)c(F)c1)c1occc1-c1ccccc1 40150950 GFAQCRHVGUKSDC-UHFFFAOYSA-N 347.349 4.524 0 40 EJAB C[C@@H](NC(=O)N(C)Cc1ccccc1)c1ccc(C(F)(F)F)cc1 45636965 DJZSSJBCMLKSOK-CYBMUJFWSA-N 336.357 4.608 0 40 EJAB CC/C=C(\C)C(=O)N[C@H](C)c1ccc(OC2CCCC2)c(OC)c1 48341647 MIKHTUJTWJGNDD-UJMHRVFCSA-N 331.456 4.550 0 40 EJAB O=C(CSCc1cccc(Cl)c1)N[C@@H]1CCCc2ccccc21 58014151 TXOADUDLUXPDJQ-GOSISDBHSA-N 345.895 4.767 0 40 EJAB CCCCCN(C(=O)c1[nH]c2c(c1C)C(=O)CCC2)[C@@H](C)CCC 58130061 KEMNIOHXOJPHOL-AWEZNQCLSA-N 332.488 4.663 0 40 EJAB Cc1nc(Oc2cccc([C@H](C)O)c2)c2c3c(sc2n1)CCCC3 58166699 RWCQSHLMDPMILG-NSHDSACASA-N 340.448 4.724 0 40 EJAB C[C@@H](c1ccc(F)cc1)[S@@](=O)Cc1csc(C2CCCC2)n1 78556338 OJNUYIFOMIFOJE-AMXDTQDGSA-N 337.485 4.950 0 40 EJAB Clc1ccc(SCc2csc(C3CCCCC3)n2)nn1 84429267 GIHIFCCEYJYIHI-UHFFFAOYSA-N 325.890 4.927 0 40 EJAB Cc1cc(Cl)cc(C)c1NC(=O)c1csc([C@H]2CCCO2)n1 95440060 VNXJCKSGMSZLBX-CYBMUJFWSA-N 336.844 4.517 0 40 EJAB Cc1ccsc1[C@H](C)NCc1cccc(COC2CCOCC2)c1 95967914 BJDJPGCYRQRERD-INIZCTEOSA-N 345.508 4.603 0 40 EJAB O=c1[nH]c2c(s1)[C@@H](c1ccccc1Cl)[C@H]1[C@@H](S2)[C@@H]2CC[C@@H]1C2 102002117 JSSBVGZWZPTGCP-IZPVPAKOSA-N 349.908 4.742 0 40 EJAB O[C@H](c1ccccc1Br)c1ccc2c3c(cccc13)CC2 158877524 IMZZQXYVOZJPRM-IBGZPJMESA-N 339.232 4.783 0 40 EJAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCCc1ccccc1 223026648 RKKBDVQNKOFSJY-IBGZPJMESA-N 345.870 4.555 0 40 EJAB Cc1ccc(C(=O)NCCSCc2ccccc2Cl)cc1C 224085783 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EJAB Cc1ccc(N2C(=O)S[C@@H](Nc3ccc4ccccc4c3)C2=O)cc1 4459077 ITYHFUZTWQCCDD-GOSISDBHSA-N 348.427 4.786 0 40 EJAB COc1ccccc1-c1ccc(Nc2cccc(C(F)(F)F)c2)nn1 4859040 KSVOVZKHJLRDFP-UHFFFAOYSA-N 345.324 4.915 0 40 EJAB CCn1c(SCc2cccc(OC)c2)nnc1-c1ccc(C)cc1 5499449 YKNLEUIQJDFZHH-UHFFFAOYSA-N 339.464 4.574 0 40 EJAB CSc1ccccc1C(=O)Nc1ccc(SC(F)F)cc1 5937017 AGVOPZQZAFGPOV-UHFFFAOYSA-N 325.405 4.976 0 40 EJAB COc1cccc(-n2cnnc2S[C@@H](C)c2ccccc2Cl)c1 6163599 USKCPVLTYQUGHZ-LBPRGKRZSA-N 345.855 4.783 0 40 EJAB C[C@@H](c1nnc(-c2cccs2)o1)N1CC=C(c2ccccc2)CC1 7913194 GQIOHWNVNOLQET-AWEZNQCLSA-N 337.448 4.648 0 40 EJAB O=C(CNc1cccc(F)c1)Nc1ccc(Oc2ccccc2)cc1 7971926 YZWRKKYPFWDQSK-UHFFFAOYSA-N 336.366 4.669 0 40 EJAB CC[C@@H](C)c1ccc(N[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)cc1 11157471 HDHOEALXDLFSSP-JLTOFOAXSA-N 340.442 4.771 0 40 EJAB O=C(Nc1ccccc1Cl)c1cccc(OCc2cscn2)c1 12754934 UIASSOMVXKVRQC-UHFFFAOYSA-N 344.823 4.628 0 40 EJAB O=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccccn1 14604074 VWYFLWFQOQEXNR-UHFFFAOYSA-N 331.400 4.611 0 40 EJAB CC(C)OC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CC2 16222462 QDTNQCIVRXTUAJ-OWBHPGMISA-N 333.387 4.880 0 40 EJAB CCCCOC(=O)Cn1cnc(-c2ccccc2)c1-c1ccccc1 16956234 NVMXKDWEZWHEIJ-UHFFFAOYSA-N 334.419 4.560 0 40 EJAB C[C@@H](c1nc2ccccc2n1C(F)F)N1CCCc2ccccc21 23016434 YSXAKLKOBCZSHX-ZDUSSCGKSA-N 327.378 4.945 0 40 EJAB CCOC(=O)Nc1c(-c2ccc(Cl)cc2)nc2c(C)cccn12 26687932 YLSBANRUSMJKFA-UHFFFAOYSA-N 329.787 4.532 0 40 EJAB CCOc1ccccc1NC(=O)c1c(C)noc1-c1ccc(C)cc1 35671956 PCPJJRMBFZKZLC-UHFFFAOYSA-N 336.391 4.609 0 40 EJAB CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OC(=O)COc1ccc3ccccc3c1)C2 36615470 LDBLTMDNXJRMLC-JUXOCIIHSA-N 338.447 4.977 0 40 EJAB CC(C)(C)c1ccc(C(=O)Nc2ccc(N)cc2Br)cc1 36738586 RCCZHSXVTVJLSY-UHFFFAOYSA-N 347.256 4.581 0 40 EJAB O=C(NCc1cc2ccccc2[nH]1)c1ccccc1Oc1ccccc1 58903313 SXPHGDJEMOEEND-UHFFFAOYSA-N 342.398 4.890 0 40 EJAB Cc1c(C(=O)NCc2cc3ccccc3[nH]2)sc2cccc(F)c12 65478218 GTMRVPRIHIVNSU-UHFFFAOYSA-N 338.407 4.760 0 40 EJAB CCOc1cc(C)ccc1NC(=O)NCc1cccc(NC(C)C)c1 79073110 ACNFNGJQPKYFKB-UHFFFAOYSA-N 341.455 4.536 0 40 EJAB CC[C@@H](c1ccccc1)c1nnc(NC(=O)c2ccc(C)cc2)s1 95116324 ILAPYXXDIDIONA-INIZCTEOSA-N 337.448 4.641 0 40 EJAB CCc1ccc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1 106702807 HWCXDYQVDYDSQM-PDGQHHTCSA-N 337.444 4.794 0 40 EJAB O=C(CCSCc1ccccc1)NCc1cccc2ccccc12 222864973 RGIYKTMLAXPAEB-UHFFFAOYSA-N 335.472 4.780 0 40 EJAB CC[C@@H](NC(=O)/C=C/c1ccc(OC)cc1)c1ccc2c(c1)CCCC2 223014860 RCQKLCHAIWUHID-RCJYHZQCSA-N 349.474 4.855 0 40 EJAB COc1ccc(/C=C(/C(=O)NCC2=CCCCC2)c2ccccc2)cc1 223426897 AVULEYOTHCLNAB-CJLVFECKSA-N 347.458 4.852 0 40 EJAB Cc1cc(C)cc(CSCC(=O)NC(C)(C)Cc2ccccc2)c1 223645085 WPXUTKDFLOYRNF-UHFFFAOYSA-N 341.520 4.674 0 40 EJAB Fc1ccc(NC(=S)NC2(c3cccs3)CCCC2)cc1F 225860777 KHYCXJUIEOHHDF-UHFFFAOYSA-N 338.448 4.782 0 40 EJAB O=C(Nc1ccc(Cl)c(Cl)c1)c1conc1-c1ccccc1 225871368 DSCXQHGPOZPQRG-UHFFFAOYSA-N 333.174 4.901 0 40 EJAB COC1(c2noc(-c3ccc(C4SCCCS4)cc3)n2)CCC1 274109938 UEENPECURKKUPX-UHFFFAOYSA-N 348.493 4.631 0 40 EJAB O=C1Nc2ccccc2S/C1=C\c1cc(Cl)cc(Cl)c1O 409104989 LTDKDSIUCJSLFO-MLPAPPSSSA-N 338.215 4.784 0 40 EJAB O=C(c1cc2c(ccc3ccccc32)[nH]1)N1CC=C(c2ccccc2)C1 501567543 NYEYKEQQYWPYQB-UHFFFAOYSA-N 338.410 4.861 0 40 EJAB C[C@H]1CC[C@H](NC(=O)c2ccccc2SCc2ccco2)CC1 594561875 BUGIBNDTMBFZTC-SHTZXODSSA-N 329.465 4.880 0 40 EJAB CCOc1ccc(C(=O)CSc2nc3ccccc3s2)cc1 192233 DOQUDONGUVOEAZ-UHFFFAOYSA-N 329.446 4.670 0 40 EJAB Oc1cc2ccccc2cc1-c1nnc(SCc2ccccc2)o1 411410 RYYGAJLOYFDHBX-UHFFFAOYSA-N 334.400 4.888 0 40 EJAB CC1CCN(C(=O)c2cc(-c3ccc(Cl)c(Cl)c3)on2)CC1 425701 UWMFHPGFSLKBNU-UHFFFAOYSA-N 339.222 4.521 0 40 EJAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ccccc1N1CCCCC1 520734 UXDGBCIQPILPOX-JLHYYAGUSA-N 340.854 4.982 0 40 EJAB CC(C)CCn1c(-c2ccc(F)cc2)nc2nc3ccccc3nc21 546029 QGBFEZAIPSMCRK-UHFFFAOYSA-N 334.398 4.832 0 40 EJAB CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1ccccc1Cl 569713 BKAQPVZZBGVUPZ-GFCCVEGCSA-N 346.883 4.980 0 40 EJAB Cc1cc(C)cc(NC(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)c1 1358412 WDNAVZCVRYSSQB-INIZCTEOSA-N 348.450 4.591 0 40 EJAB CCC[C@H](CC)[C@](O)(c1ccccc1)c1ccc(OCOC)cc1 1719866 CLYCETMYZQSFRN-UWJYYQICSA-N 328.452 4.732 0 40 EJAB Cc1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)n3ncnc3N2)cc1C 2919580 NIKLQXANSVAIHM-ROUUACIJSA-N 338.842 4.695 0 40 EJAB Cc1cccc(Nc2nnc(SCC(=O)c3ccccc3)s2)c1 3220952 NKRPDDSTEOXXLZ-UHFFFAOYSA-N 341.461 4.565 0 40 EJAB CCCCN(CCCC)C(=O)c1ccc(C(=O)c2ccccc2)o1 3664362 LPZIBIGNDJUVFG-UHFFFAOYSA-N 327.424 4.553 0 40 EJAB CCCCSc1nc2c(c(=O)[nH]1)[C@](C)(CC)Cc1ccccc1-2 3771730 JYQGLDPFPBHVAS-LJQANCHMSA-N 328.481 4.553 0 40 EJAB O=C(O)c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@@H]1[C@@H](c1ccccc1F)N2 4151498 YEKIJPBPCQBBIK-MSICBTANSA-N 337.394 4.820 0 40 EJAB O=C(CCOc1ccccc1F)Nc1ccc(SC(F)F)cc1 6940413 JERCDQWFNHPYEO-UHFFFAOYSA-N 341.354 4.548 0 40 EJAB COc1ccc(C)cc1[C@H](C)NC(=O)c1ccc(C(F)(F)F)cc1 7922760 REUOPLZAMWCMRB-LBPRGKRZSA-N 337.341 4.513 0 40 EJAB Cc1cc2nc(-c3ccc(NC(=O)C(F)(F)F)cc3)oc2cc1C 8053943 QQWWBNDNSGSAPC-UHFFFAOYSA-N 334.297 4.612 0 40 EJAB O=C(Nc1nc2c(C(F)(F)F)cccc2s1)c1ccccc1F 12750666 HUGLGECXJOUSFE-UHFFFAOYSA-N 340.301 4.707 0 40 EJAB CCSc1ccccc1NC(=O)CCCOc1ccc(C)cc1 22525887 AHBPRDKHJKEARB-UHFFFAOYSA-N 329.465 4.905 0 40 EJAB Cc1ncc(-c2ccc(NC(=O)Cc3c(C)[nH]c4ccccc34)cc2)o1 24901812 KXDGUOSYQIYMLO-UHFFFAOYSA-N 345.402 4.621 0 40 EJAB CC[C@H](C)c1ccc(N[C@H](C)C(=O)Nc2ccc(Cl)cn2)cc1 24986473 VBHCVSAQYJIXIG-QWHCGFSZSA-N 331.847 4.688 0 40 EJAB CCc1ccc2nc(NC(=O)CSc3cccs3)sc2c1 31603954 RKXQLPSMDSZBLN-UHFFFAOYSA-N 334.491 4.651 0 40 EJAB C[C@@H](NC[C@H](O)c1ccc(Cl)cc1)c1cccc2ccccc12 32906734 XZJTZGSDLROZNL-VLIAUNLRSA-N 325.839 4.877 0 40 EJAB CC(C)Sc1ccc(CC(=O)NCC2(c3cccs3)CC2)cc1 38593029 CTATTWLBTUXXIB-UHFFFAOYSA-N 345.533 4.639 0 40 EJAB COc1cccc(/C=C/C(=O)N(C)[C@@H](C)c2cc3ccccc3o2)c1 40056975 GPSBPOPBZDEJDD-RUMSDORHSA-N 335.403 4.674 0 40 EJAB COc1cc([C@@H](C)NC(=O)[C@@H]2CC=CCC2)ccc1OC1CCCC1 48340054 VENLRASEXVWVPZ-HZPDHXFCSA-N 343.467 4.550 0 40 EJAB COc1ccc([C@H](C)N(C)Cc2c(C3CC3)[nH]c3ncccc23)cc1 72393374 DGBGCXDKPZAEEX-AWEZNQCLSA-N 335.451 4.642 0 40 EJAB CCC[C@@H]1CCCN(C(=O)c2sc(C)cc2OC(F)F)CC1 78725563 BIBPDCBXSMNPBU-GFCCVEGCSA-N 331.428 4.700 0 40 EJAB CC(C)[C@H]1SCC(O)=Nc2c1cnn2Cc1ccccc1Cl 79484193 OSSQVVSYVIJIMW-OAHLLOKOSA-N 335.860 4.617 0 40 EJAB C[C@H](N[C@@H]1CCCc2ccccc21)c1ccc(C(F)(F)F)nc1O 95427036 HZOYGJNXOKTADW-XHDPSFHLSA-N 336.357 4.534 0 40 EJAB O=C(O)c1cccc2c1N[C@H](c1ccc(F)cc1)[C@H]1[C@@H]2[C@@H]2CC[C@@H]1C2 100263794 XRZXZBRJZSEQSF-GTBHSOEESA-N 337.394 4.820 0 40 EJAB CCOc1ccc(OC)cc1NCc1ncc(-c2cccc(F)c2)o1 177233619 YVEWEDPHWLTASW-UHFFFAOYSA-N 342.370 4.500 0 40 EJAB CSC1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-c2ccsc2)cc1 206758696 POECDGQEBFBWJC-JWTNVVGKSA-N 343.517 4.914 0 40 EJAB COc1cc(Cl)c2[nH]c(-c3ccccc3Br)nc2c1 216915232 FDJOJBDVLIGCSH-UHFFFAOYSA-N 337.604 4.654 0 40 EJAB CCc1ccc(CC(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)cc1 223650398 PMPNHYWYSQTSFM-LJQANCHMSA-N 337.463 4.519 0 40 EJAB CCOc1ccc(C(=O)NCCC2CCCCCC2)cc1OCC 225065199 CJQONIJMKPVYSU-UHFFFAOYSA-N 333.472 4.574 0 40 EJAB O=C(Nc1cccc2ccccc12)c1ccc2c(c1)OCC1(CC1)CO2 225364624 JNYGVVJMZIYDDO-UHFFFAOYSA-N 345.398 4.644 0 40 EJAB Cc1ccccc1[C@H](NC(=S)Nc1ncccc1C)c1ccccc1 225507483 PMHMVMXLXZODKO-LJQANCHMSA-N 347.487 4.774 0 40 EJAB Cc1ccc(NC(=S)NCCCc2cccc(OC(C)C)c2)cc1 225563921 ZTICGSKUQIWBCP-UHFFFAOYSA-N 342.508 4.701 0 40 EJAB CCCOc1ccc(NC(=O)C2(OCCC)CCCCCC2)cc1 225658883 FEXKVSHUVBITDP-UHFFFAOYSA-N 333.472 4.934 0 40 EJAB Brc1cccc2c(-c3nc4cnccc4o3)cccc12 226281553 GFHORMXOLACEBZ-UHFFFAOYSA-N 325.165 4.806 0 40 EJAB COc1ccc(N=c2sc(-c3ccc(Cl)cc3)cn2C)cc1 575628196 VCYAIHBOKZOJGM-UHFFFAOYSA-N 330.840 4.648 0 40 EJAB CCOC(=O)c1nc(Nc2cccc3ccccc23)c2ccccc2n1 145889 MAVORVJCDHQYPF-UHFFFAOYSA-N 343.386 4.703 0 40 EJAB Cc1ccc(C(=O)Nc2ccc(Br)cc2C)cc1Cl 514161 OCQDJRDLZGOBBC-UHFFFAOYSA-N 338.632 4.972 0 40 EJAB O=C(Cc1c(F)cccc1Cl)Nc1ccccc1N1CCCCC1 3428284 OYZJLCWNBCGNBL-UHFFFAOYSA-N 346.833 4.651 0 40 EJAB COc1ccc2c(C)c(C(=O)c3ccc(OC(F)F)cc3)oc2c1 3495897 CNZASOACFQGMFH-UHFFFAOYSA-N 332.302 4.582 0 40 EJAB CC(=O)C(=Cc1ccccc1)C(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C 4266897 FDAUAWCWYPKAFJ-ZAAXVRCTSA-N 328.452 4.663 0 40 EJAB biogenic OC(Cc1cc(-c2ccccc2)n[nH]1)(c1ccccc1)c1ccccc1 4706414 LCWVUEZGQUUMOL-UHFFFAOYSA-N 340.426 4.555 0 40 EJAB Cc1ccc(C(=O)O)cc1NC(=O)Nc1ccc(Cl)c(Cl)c1 5375242 FCIQDSQYAWZGBR-UHFFFAOYSA-N 339.178 4.644 0 40 EJAB CCCCOc1ccc(C(=O)Nc2ccc3scnc3c2)cc1 10217429 KUKDYLOURTYFJG-UHFFFAOYSA-N 326.421 4.728 0 40 EJAB O=C(NCC1(c2ccccc2)CCC1)c1ccc(Cl)cc1Cl 10221300 MXTVAXZJQGIDAE-UHFFFAOYSA-N 334.246 4.845 0 40 EJAB CC(C)c1nnc(NC(=O)c2ccccc2Cc2ccccc2)s1 12786841 QZESRAPKGAQYHD-UHFFFAOYSA-N 337.448 4.505 0 40 EJAB Cc1c(C(=O)N(C)c2ccccc2)oc2ccc(Br)cc12 12940485 LIBBJLCIBYIFPY-UHFFFAOYSA-N 344.208 4.780 0 40 EJAB c1ccc2c(c1)O[C@H]1c3ccccc3O[C@H]3c4ccccc4O[C@@H]2N31 19334911 GYHIUCWIJXVSLP-ACRUOGEOSA-N 329.355 4.562 0 40 EJAB CCc1ccccc1O[C@H](C)C(=O)Nc1cc(Cl)ccc1Cl 20110255 CHXOARIYPIAAFY-LLVKDONJSA-N 338.234 4.962 0 40 EJAB CCCCN1Cc2c(sc(C)c2C)N(C(=O)c2ccccc2)C1 20193327 SCARLRCXUXUVLM-UHFFFAOYSA-N 328.481 4.585 0 40 EJAB C[C@@H](c1ccccc1)N(C)C(=O)c1ccc(COc2ccccc2)o1 25613987 PCRHAMNFDKZCRT-INIZCTEOSA-N 335.403 4.692 0 40 EJAB CC[C@H](Oc1cccc(C)c1)C(=O)NCCCc1ccc(Cl)cc1 30867330 PGURTZZJTGIBIB-IBGZPJMESA-N 345.870 4.555 0 40 EJAB Cc1ccc(-c2nn3c(NCc4ccccc4)cc(C)nc3c2C)cc1 40216892 NUAKHSBRNNNZTP-UHFFFAOYSA-N 342.446 4.934 0 40 EJAB Cc1cc(C)n(-c2ccc(NC(=O)c3ccccc3Cl)cc2F)n1 47409279 VORNVXZVAPJXRD-UHFFFAOYSA-N 343.789 4.534 0 40 EJAB O=C(Nc1ccncc1)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 57681266 MQMFWYLTTWDARJ-RGMRCXJASA-N 332.447 4.558 0 40 EJAB CCCCCOc1ccc([C@@H](C)NC(=O)c2occc2C)cc1OC 57831988 LQPXWTQKLFZRHA-OAHLLOKOSA-N 345.439 4.657 0 40 EJAB CN(Cc1cccc(O)c1)C(=O)c1sc2ccccc2c1Cl 59885818 XHNAIAFPJGBIBT-UHFFFAOYSA-N 331.824 4.533 0 40 EJAB C[C@@H](c1ccc2ccccc2c1)N(Cc1cccc(C(N)=O)c1)C1CC1 63577743 KKPYVDDNQMKFQP-INIZCTEOSA-N 344.458 4.664 0 40 EJAB Cc1nc(N2CCCc3ccccc32)ccc1[C@@H](O)c1ccccc1 72224963 WNDCNJAFWQIUCE-QFIPXVFZSA-N 330.431 4.556 0 40 EJAB CCc1ccc([C@H](C)NC(=O)[C@@H](CC)Oc2cccc(C)c2C)cc1 78458435 ZSMVESNYGVETJV-FXAWDEMLSA-N 339.479 4.901 0 40 EJAB C[C@H](NC(=O)C1c2ccccc2Oc2ccccc21)[C@H]1C[C@H]2CC[C@H]1C2 102606969 NWULNUHXJNDWKR-IUVQAAGXSA-N 347.458 4.865 0 40 EJAB COc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3onc(C)c32)cc1 102728876 MOSTXBUPVHHXCO-KRWDZBQOSA-N 338.407 4.842 0 40 EJAB Cc1nc2cc(NC(=O)c3ncc(-c4ccccc4)o3)ccc2s1 206585429 OIXBRYDLLKVYTG-UHFFFAOYSA-N 335.388 4.512 0 40 EJAB CCCOCc1cc(C(=O)Nc2cccc(Cl)c2C)ccc1OC 224413387 SGSPFZDQSQUZBP-UHFFFAOYSA-N 347.842 4.836 0 40 EJAB CCOc1ccc(C(=O)Nc2ccc(C)cc2)cc1COC(C)C 224714546 SNNLTEZAJCQSEA-UHFFFAOYSA-N 327.424 4.571 0 40 EJAB C[C@H](Cc1cccc2ccccc12)C(=O)NC[C@H](C)c1ccccc1 224941955 INSLMHDZGNANRG-MSOLQXFVSA-N 331.459 4.938 0 40 EJAB C[C@@H](CC(C)(C)c1ccccc1)NC(=S)Nc1ccccc1F 225658984 DGXKKTLKHUFJMK-AWEZNQCLSA-N 330.472 4.869 0 40 EJAB O=C(O)c1cc(-c2ccc(-c3ccc(F)cc3)o2)nc2ccccc12 75863 QNUJPPMEIZVUHQ-UHFFFAOYSA-N 333.318 4.999 0 40 EJAB COc1cc(-c2nc3ccc(Cl)cn3c2NC(C)(C)C)ccc1O 412147 OZOQPDZKOUURRI-UHFFFAOYSA-N 345.830 4.579 0 40 EJAB Cc1cc(Br)ccc1NC(=O)c1ccc(OC(C)C)cc1 514212 MFCMYYZAUXSZFA-UHFFFAOYSA-N 348.240 4.797 0 40 EJAB Cc1cc(C)cc(Nc2ncc3c(n2)C[C@H](c2cccs2)CC3=O)c1 2429889 KWCPACIPDLOVAU-AWEZNQCLSA-N 349.459 4.811 0 40 EJAB Cc1cccc(NC(=S)NCCc2ccc(C(F)(F)F)cc2)c1 3388584 NEZOVAPDEPNDGO-UHFFFAOYSA-N 338.398 4.543 0 40 EJAB O=C(NC(=S)Nc1ccc2ccccc2c1)c1cc2ccccc2o1 4663611 KSAZISZNVRKUMG-UHFFFAOYSA-N 346.411 4.713 0 40 EJAB Cc1oc(C23CC4CC(CC(C4)C2)C3)cc1C(=O)NCc1ccccc1 4718044 IVDRVYDZHPCYNM-UHFFFAOYSA-N 349.474 4.986 0 40 EJAB Cc1cc2oc(=O)cc(CSc3nc4ccccc4[nH]3)c2cc1C 4830108 BCPWABSPZIISSU-UHFFFAOYSA-N 336.416 4.578 0 40 EJAB CC(C)(C)C(=O)COC(=O)c1cc(-c2ccccc2)nc2ccccc12 5505999 XTZBQPOLEAMAOW-UHFFFAOYSA-N 347.414 4.674 0 40 EJAB O=C(Nc1nc2c(s1)CCC2)C1c2ccccc2Oc2ccccc21 6535873 DMCWHVLSTVRZHL-UHFFFAOYSA-N 348.427 4.508 0 40 EJAB CC(C)(C)c1ccc(OCCCC(=O)NCc2cccs2)cc1 6790615 VWROBLHSSBVFAW-UHFFFAOYSA-N 331.481 4.521 0 40 EJAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2ccc3c(c2)CCC3)c1C 7830291 HMLXIPHLCJLGGD-AWEZNQCLSA-N 341.476 4.686 0 40 EJAB Cc1noc(C)c1CC(=O)Nc1ccc(-c2cc3ccccc3o2)cc1 8429396 KITWVPFJBHPBRJ-UHFFFAOYSA-N 346.386 4.886 0 40 EJAB CC(C)Sc1ccccc1C(=O)N[C@@H](C)CCc1ccccc1 8478838 IJEPBNAZJXTHCW-INIZCTEOSA-N 327.493 4.938 0 40 EJAB C[C@H](NC(=O)NC12CC3CC(CC(C3)C1)C2)c1cccc(Cl)c1 8855805 YNMPOWQHKFZPHB-UHSVVUDUSA-N 332.875 4.669 0 40 EJAB COc1cccc(NC(=O)N(C2=NCCC2)c2cc(C)cc(C)c2)c1 10166020 OZEWXDMMXOWFIH-UHFFFAOYSA-N 337.423 4.543 0 40 EJAB O=C1C[C@H](c2ccccc2OCCc2ccccc2)c2sccc2N1 12376339 BFOBRGMBDZIJQT-QGZVFWFLSA-N 349.455 4.844 0 40 EJAB Cc1noc(CSc2nc3ccccc3n2C2CCCCC2)n1 12628782 JUEQBYMPBMQJTR-UHFFFAOYSA-N 328.441 4.525 0 40 EJAB CCc1ccc(NC(=O)Cc2sc(C)nc2-c2cccs2)cc1 15840150 HQGJHRFJXZZHRW-UHFFFAOYSA-N 342.489 4.924 0 40 EJAB CCC(C)(C)c1ccc(OCC(=O)Nc2ccc(Cl)c(N)c2)cc1 19736693 TWKAZVOBUIMMNU-UHFFFAOYSA-N 346.858 4.627 0 40 EJAB O=C(Nc1ccnn1C1CCCCC1)c1cc2ccccc2s1 39978223 NQAZJRXKSNNFIU-UHFFFAOYSA-N 325.437 4.855 0 40 EJAB O=C(Nc1cccc2ccc(-n3cccc3)nc12)c1ccc(F)c(F)c1 49027986 XWNKFPHVDLQMOO-UHFFFAOYSA-N 349.340 4.556 0 40 EJAB Cc1nc(S[C@@H](C)C(=O)Nc2c(Cl)cccc2Cl)oc1C 53720679 PHKSPDDUKODBPX-VIFPVBQESA-N 345.251 4.718 0 40 EJAB C[C@@H]1CCC[C@H](NC(=O)CSCc2ccc(F)cc2Cl)[C@@H]1C 58162726 IVOQSVZALFSFDG-HSMVNMDESA-N 343.895 4.653 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)c2cc(-c3ccco3)nc3ccccc23)o1 58416905 XYGFBUSSACXFQT-CQSZACIVSA-N 346.386 4.887 0 40 EJAB FC(F)(F)c1nc(NCc2cc3ccccc3[nH]2)c2ccccc2n1 58544105 QFOUEQALNOFVLR-UHFFFAOYSA-N 342.324 4.742 0 40 EJAB Cc1ccc(C(=O)Nc2nc(-c3ccccc3Cl)ns2)cc1F 75610207 ZJTGOFISSRCLEA-UHFFFAOYSA-N 347.802 4.558 0 40 EJAB O=C(CSc1ccccc1Cl)N1CCC[C@@H]1c1ccc(O)cc1 78714388 YJIMUBCWEVPOJB-MRXNPFEDSA-N 347.867 4.501 0 40 EJAB Cc1cc([C@@H](NCc2ccc([S@@](C)=O)cc2)C(C)C)c(C)s1 95409650 QYBANGOGCTVYKS-AVRDEDQJSA-N 335.538 4.589 0 40 EJAB C[C@H]1CCCN(c2ccccc2OCc2nc3cccnc3s2)C1 95458369 MISHLUNNKBAPCF-AWEZNQCLSA-N 339.464 4.507 0 40 EJAB CCSc1ccccc1NC(=O)[C@H](C)Oc1ccc(C)cc1C 219531521 KPMADEUXUWDMQI-HNNXBMFYSA-N 329.465 4.821 0 40 EJAB Cc1cc(C)cc(O[C@H](C)C(=O)N[C@H](CC(C)C)c2ccccc2)c1 219546761 KZFUDYAODAFRPD-WIYYLYMNSA-N 339.479 4.974 0 40 EJAB O=C(NCc1ccc2ccccc2c1)C1(c2ccccc2)CCCC1 222819846 DPQCFAYZAQNOIH-UHFFFAOYSA-N 329.443 4.968 0 40 EJAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc2c3c(cccc13)CC2 224450084 QQBGUQDAABNQCX-HXUWFJFHSA-N 349.405 4.874 0 40 EJAB Cc1ccc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1 225574864 GPYVSJDMROQCQA-MRXNPFEDSA-N 326.465 4.584 0 40 EJAB O=C(NCCSC1CCCC1)c1cc2c(ccc3ccccc32)o1 225771982 KVGHNHKTONJZHL-UHFFFAOYSA-N 339.460 4.992 0 40 EJAB CCCCOc1ccc(NC(=O)[C@](C)(CC)OC)c2ccccc12 225792020 HJWVDUQDDXAAQZ-FQEVSTJZSA-N 329.440 4.772 0 40 EJAB CCc1ccc(-c2nc3ccc(NC(=O)C(F)(F)F)cc3o2)cc1 226269708 NRYBYQAYPDYIMJ-UHFFFAOYSA-N 334.297 4.558 0 40 EJAB Cc1ccccc1Oc1ccc(N2C(=O)c3ccccc3C2=O)cc1 409089399 MIDBITMDDNJRQF-UHFFFAOYSA-N 329.355 4.588 0 40 EJAB O=C(Nc1cc(Cl)nc(Cl)c1)Sc1ccc(F)cc1F 163171 YJVLNBSRGJVLCU-UHFFFAOYSA-N 335.162 4.991 0 40 EJAB O=C(c1cnn(-c2ccc(Cl)cc2)c1)c1ccc2ccccc2c1O 1395041 AAVXNQNPPFTKDA-UHFFFAOYSA-N 348.789 4.616 0 40 EJAB Fc1ccccc1-c1nc(Cl)c2cc(Br)ccc2n1 2527425 BAHQFLGDULAYEK-UHFFFAOYSA-N 337.579 4.852 0 40 EJAB O=C(Nc1ccccc1C(=O)c1ccccc1)c1cc2ccccc2o1 2708325 BUOSMICLRPYVJE-UHFFFAOYSA-N 341.366 4.916 0 40 EJAB O=C(O)CC1(CC(=O)Nc2ccc3ccccc3c2)CCCCC1 3257405 MRFDGPBJIFXZIT-UHFFFAOYSA-N 325.408 4.594 0 40 EJAB Cc1ccc(C)c2sc(NC(=O)CSc3ccc(F)cc3)nc12 4496794 UBJVKQIBIIKQOD-UHFFFAOYSA-N 346.452 4.783 0 40 EJAB O=C(NC1(c2ccc(F)cc2)CCCC1)c1cccc2cccnc12 5007246 SIOPYFSCTMHATC-UHFFFAOYSA-N 334.394 4.573 0 40 EJAB O=Cc1cc(Br)ccc1OCc1ccc2ccccc2c1 5778361 WVYQVRXHVINNOU-UHFFFAOYSA-N 341.204 4.994 0 40 EJAB C[C@H](N[C@@H](C)c1nnc(-c2cccs2)o1)c1ccc(Cl)cc1 7919219 ZLESPCJLMTWWOW-QWRGUYRKSA-N 333.844 4.863 0 40 EJAB CCc1cccc(C)c1NC(=O)Cc1csc(-c2ccsc2)n1 8007553 GOYMJNRLBBOYHR-UHFFFAOYSA-N 342.489 4.924 0 40 EJAB CCOc1cc(CNC2CCCC2)ccc1OCc1ccccc1 8254611 GLLOKEGPOYYXRX-UHFFFAOYSA-N 325.452 4.697 0 40 EJAB Nc1nc(-c2ccc(Br)cc2)c(-c2ccccc2)s1 8700350 NATKERXUDDQTBX-UHFFFAOYSA-N 331.238 4.822 0 40 EJAB Fc1cccc(CSc2nnc(-c3ccccc3F)n2C2CC2)c1 8747889 BYBLUGYWTOCWBW-UHFFFAOYSA-N 343.402 4.851 0 40 EJAB Cc1ccc(C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1F 9515299 ZUPDBYPVJSDFTL-UHFFFAOYSA-N 348.349 4.788 0 40 EJAB CN(C(=O)Cc1c(F)cccc1Cl)[C@H]1CCCc2ccccc21 9544725 RGLBAHPMSGVFCN-SFHVURJKSA-N 331.818 4.558 0 40 EJAB Cc1ccc(SCCNC(=O)[C@@H](C)Sc2ccc(C)cc2)cc1 16310966 QRKAACYXMTXZEL-MRXNPFEDSA-N 345.533 4.693 0 40 EJAB COc1ccc2c(c1)C[C@H](C)C1=C2CC[C@@]2(C)C1=CC[C@@H]2OC(C)=O 16609726 VNZLWPUSAJFFMR-JYYJXNPCSA-N 338.447 4.703 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccccc2Cl)c(C)c1 20460761 ZOMITSSNCJWJEH-HUUCEWRRSA-N 331.843 4.602 0 40 EJAB Cc1occc1C(=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12 22878577 HEQMQGRLDKZSSI-IYJORBIASA-N 343.426 4.615 0 40 EJAB O=C(Nc1cccnc1)C1(c2cccc(C(F)(F)F)c2)CCCC1 29519285 BYBVTHDJRBQPDT-UHFFFAOYSA-N 334.341 4.551 0 40 EJAB Cc1ccc(-c2nc(CN(C)Cc3ccc(F)c(F)c3)co2)c(C)c1 32760744 VTTBONFJVZEZGK-UHFFFAOYSA-N 342.389 4.869 0 40 EJAB O=C(Cc1cccs1)NCc1cccc(Oc2ccc(F)cc2)c1 38679890 BJRNZKRBUPMZAZ-UHFFFAOYSA-N 341.407 4.538 0 40 EJAB CCCCC(=O)Nc1cc(-c2cccs2)nn1-c1ccccc1 41085967 WAQHWBLJMKJTFH-UHFFFAOYSA-N 325.437 4.730 0 40 EJAB CCc1cc(-c2ccc(/C=C/C(=O)O)o2)cc(C)c1Br 45889522 GHQSEVCWWNOHQQ-FNORWQNLSA-N 335.197 4.678 0 40 EJAB O=C(c1cccnc1Sc1ccccc1)N1CCCc2ccccc21 58014234 ZSWWBFYTDMGZKX-UHFFFAOYSA-N 346.455 4.826 0 40 EJAB CCN(CC)Cc1ccc(C(=O)N(C)C2CCCCCCC2)cc1 60303378 XJCPBVPXCQDNLF-UHFFFAOYSA-N 330.516 4.713 0 40 EJAB Cc1ccc(NC(=O)c2ccc(N3CCc4ccccc4C3)cc2)cc1 63887846 CISSJVOVBVBHKC-UHFFFAOYSA-N 342.442 4.810 0 40 EJAB Cn1c(SCCCc2ccccc2)nnc1-c1ccc(Cl)cc1 72100229 QYWOWYMDRJUMRF-UHFFFAOYSA-N 343.883 4.860 0 40 EJAB CO[C@H]1CC2(CCN(Cc3ccsc3)CC2)c2ccc(C)cc21 96100187 GDLUJQUMHPMSLY-IBGZPJMESA-N 327.493 4.682 0 40 EJAB CC(C)(NC(=O)Nc1ccccc1SC(F)F)c1nccs1 96407940 QFDNGUHFOAHRTN-UHFFFAOYSA-N 343.424 4.515 0 40 EJAB COc1ccc(N(C(=O)OC(C)(C)C)c2cc(C)ccn2)cc1F 199713836 AYJOAYHIKCWSPF-UHFFFAOYSA-N 332.375 4.611 0 40 EJAB CC[C@H](NC(=O)CSCc1ccccc1F)c1ccc(C)cc1 222709745 POTFIGKFUQBLMZ-SFHVURJKSA-N 331.456 4.635 0 40 EJAB FC(F)(F)c1cc(NC(=S)N[C@H]2C[C@@H]3CC[C@@H]2C3)ccc1Cl 225321298 MWAZNBDAYJSSLB-KKFJDGPESA-N 348.821 4.834 0 40 EJAB CCCC[C@](C)(OC)C(=O)Nc1cc(C)c(OCC(C)C)c(C)c1 225620967 BIGNCKCXLUXXJR-FQEVSTJZSA-N 335.488 4.872 0 40 EJAB Cc1cc(C)c(C(=O)NCCSCc2ccccc2Cl)cc1C 225640070 PIUUMVMKZHZSHY-UHFFFAOYSA-N 347.911 4.928 0 40 EJAB Cc1ccc(NC(=O)c2snnc2-c2ccc(F)cc2)cc1Cl 225779709 PWEMJDLXSPPWSM-UHFFFAOYSA-N 347.802 4.558 0 40 EJAB CCOc1ccc(NC(=O)C2(OCC)CCCC2)c2ccccc12 225829281 LVOAXGYMVZBDAP-UHFFFAOYSA-N 327.424 4.526 0 40 EJAB COc1cc2c(cc1C)-c1[nH]c(=Nc3ccccc3F)sc1CC2 408890899 IELFGELUCHXWDV-UHFFFAOYSA-N 340.423 4.530 0 40 EJAB C[C@@H](Nc1ccc(-c2cn3ccccc3n2)cc1)c1ccncc1F 551127357 ZNOXCTYXYHERAD-CQSZACIVSA-N 332.382 4.709 0 40 EJAB Cc1cccc(-c2cc(C(=O)Nc3ccncc3)c3ccccc3n2)c1 484208 XVWUEUJKUXFUDZ-UHFFFAOYSA-N 339.398 4.858 0 40 EJAB Cc1cc(Cl)ccc1OC(F)(F)C(=O)Nc1ccc(Cl)cc1 1396703 UVOUWSKJTIBWMB-UHFFFAOYSA-N 346.160 4.912 0 40 EJAB O=C(Nc1ccccc1N1CCCCC1)c1ccc(OC(F)F)cc1 3331885 OHZMOBLYHQYYSA-UHFFFAOYSA-N 346.377 4.531 0 40 EJAB COc1cc(Cl)c(C)cc1NC(=O)Cc1c(F)cccc1Cl 3438427 ZNIKOOOJJIYSKJ-UHFFFAOYSA-N 342.197 4.631 0 40 EJAB Cc1ccc(NC(=O)CSc2cn(C)c3ccccc23)cc1Cl 4060488 YUJGANYSFIJGBS-UHFFFAOYSA-N 344.867 4.871 0 40 EJAB Cc1cc(Cl)cc2sc(NC(=O)CSc3ccccc3)nc12 4496697 HTSVABYXKRVLAA-UHFFFAOYSA-N 348.880 4.989 0 40 EJAB CC(=O)NC[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@@H]21 4776360 FODXIORRSBDQQV-BHIFYINESA-N 327.512 4.956 0 40 EJAB FC(F)(F)c1cccc(CSc2nnc3[nH]c4ccccc4n23)c1 6507013 YMUYCROLTLVEDH-UHFFFAOYSA-N 348.353 4.522 0 40 EJAB Cc1ccc2[nH]c(S[C@@H](C)c3nnc(-c4cccs4)o3)nc2c1 6649740 ZPQDWKLSOVYTIN-JTQLQIEISA-N 342.449 4.836 0 40 EJAB O=C(CCSc1ccccc1)Nc1ccc(N2CCCCC2)cc1 6820467 GTMVONVWNLFSRT-UHFFFAOYSA-N 340.492 4.798 0 40 EJAB 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C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(C(F)(F)F)cc1 14400770 MHKQIZUNYAZXAF-JTQLQIEISA-N 343.732 4.765 0 40 EJAB C[C@H](Sc1n[nH]c(/C=C/c2ccc(F)cc2)n1)c1ccccc1 14897919 ZZNZURQWNSWTPT-SRXBQZRASA-N 325.412 4.968 0 40 EJAB CC[C@H](NC(=O)[C@@H](C)Oc1cccc2ccccc12)c1ccccc1 20049727 UAXSELBCYUZZPA-UZLBHIALSA-N 333.431 4.875 0 40 EJAB CN(Cc1ccccc1C(F)(F)F)C(=O)Nc1ccc(F)cc1 22966186 KIPVEYOKWAOFAW-UHFFFAOYSA-N 326.293 4.508 0 40 EJAB COc1ccccc1-c1cc(COc2cccc3ccc(C)nc23)on1 29376741 YDNPPWXKLVVHRB-UHFFFAOYSA-N 346.386 4.786 0 40 EJAB CCC(=O)Nc1cc(NC(=O)c2ccc(Cl)cc2)ccc1Cl 36354763 GRMZCCRODGFLRI-UHFFFAOYSA-N 337.206 4.594 0 40 EJAB C[C@H](c1ccccc1)n1c([C@H](O)c2ccccc2)nc2ccccc21 40224191 SKVSGFPMANFINY-IIBYNOLFSA-N 328.415 4.727 0 40 EJAB CC[C@@H]1c2ccsc2CCN1C(=O)N[C@H](C)c1sc(C)nc1C 57283390 AJVODLBMPZSRSZ-BXUZGUMPSA-N 349.525 4.601 0 40 EJAB COc1ccc(Cl)cc1NC(=O)N1CCC[C@@H]1C1CCCCC1 71808119 RHKGMZRWCMIWJO-MRXNPFEDSA-N 336.863 4.925 0 40 EJAB C[C@@H](Nc1cccc(CN2CCCCC2=O)c1)c1ccccc1F 71902640 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225133909 ODAXKPJJCNQIGN-ZWKOTPCHSA-N 339.479 4.806 0 40 EJAB Nc1ccc(Nc2ccccc2Sc2ccccc2)c(C(=O)O)c1 225323797 NBNJNLORSSSPBH-UHFFFAOYSA-N 336.416 4.862 0 40 EJAB COc1ccc([C@@H](C)NC(=S)Nc2cccc(OC(C)C)c2)cc1 225466165 GQDGQGAOXBNXHC-CQSZACIVSA-N 344.480 4.530 0 40 EJAB CC(C)Oc1cccc(NC(=S)N[C@@H](C)CCc2ccccc2)c1 225515569 WJJNQTDJHTYZRU-INIZCTEOSA-N 342.508 4.782 0 40 EJAB COc1ccc2c(c1)CCC[C@H]2NC(=S)Nc1cc(C)ccc1C 225702168 ZQWGBCNDIHJJOI-GOSISDBHSA-N 340.492 4.676 0 40 EJAB Cc1cccc(NC(=S)NC2(c3ccccc3Cl)CCCC2)n1 225872957 NRGVYXFJSOGRNX-UHFFFAOYSA-N 345.899 4.799 0 40 EJAB Cc1ccc(OCc2noc(SCc3ccc(Cl)cc3)n2)cc1 226822616 LXKJCZZXRDNLSK-UHFFFAOYSA-N 346.839 4.903 0 40 EJAB CC(C)c1ccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)cc1 260781521 SWAVXGWNCSWPMS-MDASCCDHSA-N 337.492 4.794 0 40 EJAB O=C1S/C(=C\c2ccc(Cl)cc2)C(=O)N1CCc1ccccc1 409008003 UHDANZNYJWDFNA-VBKFSLOCSA-N 343.835 4.619 0 40 EJAB O=C1S/C(=C/c2cccc(Cl)c2)C(=O)N1CC1CCCCC1 409145601 QKEUTNUBJYDQGX-XNTDXEJSSA-N 335.856 4.957 0 40 EJAB O=C(Cc1ccccc1)Nc1ncc(Cc2cccc(Cl)c2)s1 134153 MVCNUTBZWFDVNT-UHFFFAOYSA-N 342.851 4.569 0 40 EJAB Cc1cccc(C2(c3cccc(C)c3)C[C@@H]2C(=O)Nc2nccs2)c1 509348 HZHOTZDBKGHSJI-GOSISDBHSA-N 348.471 4.705 0 40 EJAB Cc1cc(-c2ccc(Cl)cc2)oc(=O)c1NC(=O)c1ccccc1 1398203 RVYQUGUMJNTYEP-UHFFFAOYSA-N 339.778 4.521 0 40 EJAB CC[C@@H](C)c1ccc(NC(=O)COC(=O)c2cc(C)cc(C)c2)cc1 2617179 OBXGJLGMGAKIRO-MRXNPFEDSA-N 339.435 4.612 0 40 EJAB O=C(Nc1ccc(-c2nc3cccnc3s2)cc1)C1CCCCC1 2961328 NXNJBBQMNNDZTN-UHFFFAOYSA-N 337.448 4.877 0 40 EJAB Cc1ccc([C@@H](NC(=O)c2ccccc2)C(Cl)(Cl)Cl)cc1 3138928 ROQQUOYFMATYNX-CQSZACIVSA-N 342.653 4.836 0 40 EJAB FC(F)Oc1ccc(NC(=S)Nc2cccc3cnccc23)cc1 3354474 ZZZOFMIKDHQORG-UHFFFAOYSA-N 345.374 4.645 0 40 EJAB CC(C)(C)c1ccc(OCCSc2ccccc2C(=O)O)cc1 4520469 XNVXVPUKYJNEFA-UHFFFAOYSA-N 330.449 4.853 0 40 EJAB C=CC(=O)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1 5480557 QLWGOOITNIDNOY-GBUKHBGESA-N 342.442 4.996 0 40 EJAB COc1ccc(Nc2ncnc3c2sc2nc(C)cc(C)c23)cc1 5587647 GEPSZHKLYIXIOF-UHFFFAOYSA-N 336.420 4.609 0 40 EJAB CCOc1ccc([C@H](C)NC(=O)c2ccc(C)c(C)c2)cc1OCC 8294727 NFUINSLHHOXFSY-INIZCTEOSA-N 341.451 4.592 0 40 EJAB O=C(c1cccc(OC(F)F)c1)N(Cc1ccco1)c1ccccc1 9387213 GUKFXOADZOAEEZ-UHFFFAOYSA-N 343.329 4.728 0 40 EJAB CSc1cccc(NC(=O)[C@@H](C)Oc2cccc3ccccc23)c1 13709181 LXQVORNGCDABCD-CQSZACIVSA-N 337.444 4.968 0 40 EJAB S=C(Nc1ccc(Br)cc1)NC1CCCCCCC1 13818513 PDEKBYGBODYCFX-UHFFFAOYSA-N 341.318 4.848 0 40 EJAB Cc1ccnc(S[C@H](C)C(=O)n2c3ccccc3c3ccccc32)n1 14608351 VJXGLRWADGDGAW-CQSZACIVSA-N 347.443 4.714 0 40 EJAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCc1ccccc1 20039049 MJIHHUUQBMPORH-KRWDZBQOSA-N 333.884 4.570 0 40 EJAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N[C@@H]1CCCc2ccccc21 20104401 WIBLHNZCIMAKCV-WOJBJXKFSA-N 337.463 4.655 0 40 EJAB Cc1ccc(NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)c(C)c1 20459919 BIAQYCQLDSHWRM-KRWDZBQOSA-N 336.479 4.788 0 40 EJAB Cc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2cccc(C)c2C)c(C)c1 20460940 LCKPVFJFUZIXGY-ZWKOTPCHSA-N 325.452 4.565 0 40 EJAB CC(C)(C)C(=O)NC(=S)Nc1c(Cl)cc(Cl)cc1Cl 21596390 UPTLXTBKGHESCK-UHFFFAOYSA-N 339.675 4.506 0 40 EJAB Fc1ccc(-c2nc(CN3CCC[C@@H]3c3cccs3)co2)cc1 24433783 FHYYMSZUMRKRAI-MRXNPFEDSA-N 328.412 4.879 0 40 EJAB Cc1ccc(-c2noc(CN(Cc3ccccc3)[C@@H](C)C3CC3)n2)cc1 32819977 KWDJJXUHNVWVPE-KRWDZBQOSA-N 347.462 4.846 0 40 EJAB CC1(C)[C@H]2CC[C@]1(C)[C@H](OC(=O)COc1ccc3ccccc3c1)C2 36615469 LDBLTMDNXJRMLC-LRXVAGHRSA-N 338.447 4.977 0 40 EJAB O=C(Nc1ccc(F)cc1Cl)c1cc(F)cc(Br)c1 40128488 HIRFIOSFRPKRJW-UHFFFAOYSA-N 346.558 4.633 0 40 EJAB COc1ccc(Cl)cc1NC(=O)Nc1ccc(C)c(Cl)c1 44845229 CSLLFZKPXILZOD-UHFFFAOYSA-N 325.195 4.954 0 40 EJAB Cc1ccc(-c2noc(-c3cc(-c4cccc(Cl)c4)n[nH]3)n2)cc1 46913988 MZYQJIJDGINHDX-UHFFFAOYSA-N 336.782 4.756 0 40 EJAB CC(=O)O[C@@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC[C@@]4(C)CC[C@@H]32)CC1=O 64560116 IBJSQLOPRJPKPB-GKLTVPDCSA-N 332.484 4.530 0 40 EJAB O[C@H](CSCc1coc(-c2ccccc2Cl)n1)c1ccccc1 65622525 KFHRORBHONXIRI-QGZVFWFLSA-N 345.851 4.962 0 40 EJAB O=[S@](Cc1coc(-c2ccc(F)cc2)n1)Cc1ccccc1Cl 69350716 IECFKMIRIZBEJL-HSZRJFAPSA-N 349.814 4.583 0 40 EJAB Cc1cc(N2CCCc3ccccc32)ncc1C(=O)c1ccccc1 72223915 WNOZZHUUBXCZTL-UHFFFAOYSA-N 328.415 4.705 0 40 EJAB O[C@@H](c1cc(Cl)cc(Cl)c1)c1ccccc1Br 95730076 YPGXZPPLMZSTQP-ZDUSSCGKSA-N 332.024 4.838 0 40 EJAB Cc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc(C)cc3)[C@H]3C=C[C@H]2C3)cc1 104141571 FHGLVZYTICFTPF-TUFLPTIASA-N 330.427 4.807 0 40 EJAB CCc1ccc(O[C@H](CC)C(=O)N[C@H]2CCCc3ccccc32)cc1 113968904 NRGGPVGHECXVSP-LEWJYISDSA-N 337.463 4.600 0 40 EJAB CC(=O)[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CC[C@@]2(C)C1 118915089 HAAMJEYGPJBHCI-HSZHAZPASA-N 332.528 4.985 0 40 EJAB CC[C@H](NC(=O)COc1ccc(Cl)c(C)c1)c1ccc(C)cc1C 218941532 MWQBOJMRXLBXDT-IBGZPJMESA-N 345.870 4.912 0 40 EJAB CC[C@@H](NC(=O)CSCc1ccccc1F)c1ccc(C)cc1C 222712270 XYBGDVMRQIKGOL-LJQANCHMSA-N 345.483 4.943 0 40 EJAB Cc1cccc(OCC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)c1C 222817742 RPNCLTZGQHOHNN-QGZVFWFLSA-N 339.479 4.857 0 40 EJAB CSc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Cl)cc1 223435104 CFKLVSSNCSMDQU-UHFFFAOYSA-N 348.276 4.516 0 40 EJAB O=C(O)[C@@H](Cc1cccc(Cl)c1Cl)Oc1ccccc1Cl 225082205 MQHCUUUPQOZTNH-CYBMUJFWSA-N 345.609 4.722 0 40 EJAB COc1ccc(NC(=S)NC2(c3ccccc3C)CCCC2)cc1 225847115 LDUVXAQMKZGVLN-UHFFFAOYSA-N 340.492 4.760 0 40 EJAB CCOc1ccccc1-c1nc(SCc2ccccc2Cl)n[nH]1 408526769 FYIQAZBFDAWTJZ-UHFFFAOYSA-N 345.855 4.816 0 40 EJAB O=C(NCc1ccc(-c2ccsc2)o1)c1c(F)cccc1Cl 575611534 WCAJXQMCSKJFIE-UHFFFAOYSA-N 335.787 4.731 0 40 EJAB O=[N+]([O-])N1CCn2c3c(c4cc(C5CCCCC5)ccc42)CCC[C@H]31 131426 CGBJMCAWUZNITI-LJQANCHMSA-N 339.439 4.574 0 40 EJAB biogenic,in-vitro Clc1ccc(-c2nc(-c3c(Cl)cccc3Cl)no2)cn1 165926 HHKYWMZAEORKRC-UHFFFAOYSA-N 326.570 4.759 0 40 EJAB CC(=O)O[C@H]1c2cc(C)ccc2N[C@H](c2ccc(F)cc2)C1(C)C 172760 VYOMGGLYTZAYIH-MOPGFXCFSA-N 327.399 4.931 0 40 EJAB C[C@@H]1CCCC[C@H]1Nc1nc(-c2ccccc2O)nc2ccccc12 2409186 PSINKMOSZHXTLD-RHSMWYFYSA-N 333.435 4.993 0 40 EJAB O=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)c1cccs1 3345757 OHCDEUBPASYAPI-QGZVFWFLSA-N 346.455 4.791 0 40 EJAB CC1(C)C[C@H]2C[C@](C)(CN2c2ncnc3sc4c(c23)CCCC4)C1 4056138 ZXKKXZFPKWPHJY-RBZFPXEDSA-N 341.524 4.975 0 40 EJAB CC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccco2)N3)C1 4153192 WKVHBNOJINAGIT-ZUZCIYMTSA-N 330.453 4.921 0 40 EJAB aggregator O=C(Nc1cccc(Cl)c1)c1ccc(COc2ccccc2)o1 4699456 WRQHQPKOTGKLOZ-UHFFFAOYSA-N 327.767 4.764 0 40 EJAB CCCCCCNC(=O)c1cc(-c2ccncc2)nc2ccccc12 4780427 RFRJPDDJTYJOAY-UHFFFAOYSA-N 333.435 4.607 0 40 EJAB C[C@@H](NC(=O)NC(=S)c1cccc2ccccc12)c1ccccc1 6525367 UELVFRGVPUOUAL-CQSZACIVSA-N 334.444 4.576 0 40 EJAB CC1=C(C)[C@H](Sc2ccc(F)cc2)N(Cc2ccccc2)C1=O 9434529 HPHDWWLTWSMPAC-IBGZPJMESA-N 327.424 4.623 0 40 EJAB COC(=O)c1cccc(NC(=O)c2cc3c(ccc4ccccc43)o2)c1 10440750 NGTHQZKAYSITAU-UHFFFAOYSA-N 345.354 4.625 0 40 EJAB C[C@@H]1CCCCN1c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 14268878 FTQVKXZUGZXVIK-CQSZACIVSA-N 328.843 4.971 0 40 EJAB O=C(Nc1ccncc1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 17584122 ZVNYKHKULQQNJF-UHFFFAOYSA-N 332.281 4.613 0 40 EJAB Cc1cccc(-n2ncc3c2C[C@H](c2cccc(Cl)c2)CC3=O)c1 20632839 CADJWBQMFHCPEM-HNNXBMFYSA-N 336.822 4.747 0 40 EJAB O=C(Nc1ccc(F)c(Cl)c1)c1cccnc1Nc1ccccc1 22072706 OVJRMVUGSNBNIY-UHFFFAOYSA-N 341.773 4.870 0 40 EJAB O=C(c1cc2ccccc2[nH]1)N(Cc1ccco1)Cc1cccs1 24460519 FGXWLUMSKWSGFE-UHFFFAOYSA-N 336.416 4.665 0 40 EJAB CCc1nnsc1C(=O)Nc1ccc(-c2cc3ccccc3o2)cc1 39980561 QKGWSISLPVKQHA-UHFFFAOYSA-N 349.415 4.766 0 40 EJAB O=C(CCc1ccc(Cl)cc1)Nc1ccc(N2CCCCC2)cc1 40995213 CTSDOCHDRATBFZ-UHFFFAOYSA-N 342.870 4.902 0 40 EJAB CCCCOc1ccccc1C(=O)Nc1ccc(C)c2ncccc12 41156673 QUPPJCYBTXPFPY-UHFFFAOYSA-N 334.419 4.974 0 40 EJAB Cc1csc(-c2ccc(C(=O)N(C)Cc3ccccc3C)cc2)n1 58141637 UUMZZTUNLRIWHO-UHFFFAOYSA-N 336.460 4.699 0 40 EJAB Cc1ccc(C)c([C@H](C)NC(=O)[C@@H](C)Oc2cccc(C)c2C)c1 59351469 FTRXGLZHLXYUDJ-ZWKOTPCHSA-N 325.452 4.565 0 40 EJAB CCCOc1cccc(C(=O)Nc2cc(Cl)c(N)cc2Cl)c1 72229459 ZHATUTDJQWNLAB-UHFFFAOYSA-N 339.222 4.617 0 40 EJAB Cc1nc(-c2ccccn2)nc(Oc2ccc(F)c(Cl)c2)c1C 72274825 JDEKVFYKKQJYON-UHFFFAOYSA-N 329.762 4.740 0 40 EJAB Clc1c(CN2CCC(N3CCCC3)CC2)sc2ccccc12 84587752 GAJHXINGVPABRV-UHFFFAOYSA-N 334.916 4.615 0 40 EJAB O=C(NCc1ccccc1F)Nc1ccc(Cl)c(C(F)(F)F)c1 96171207 ZHQOFDDEXCIARL-UHFFFAOYSA-N 346.711 4.820 0 40 EJAB O=C(Nc1cccc(C[S@](=O)C2CCCCC2)c1)c1ccsc1 96408274 CGNYKVYBCPAVRB-HSZRJFAPSA-N 347.505 4.582 0 40 EJAB C[C@@]12CC3CC(CNC(=S)Nc4ccccc4)(C1)C[C@@](C)(C3)C2 100619633 CPFTZMYAXMCMFH-DSOJJBLGSA-N 328.525 4.970 0 40 EJAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1cccc(N2Cc3ccccc3C2)c1 103520681 PZOOPWGNIRNKHL-ZWOKBUDYSA-N 346.474 4.972 0 40 EJAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)N[C@@H](C)c1ccc(C)cc1C 113970330 XHNXFAFJPSGXDS-AZUAARDMSA-N 339.479 4.955 0 40 EJAB CC(=O)[C@H]1[C@@H](C)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 123195164 CGMZETDGTMDEAD-CCWQIFSESA-N 332.528 4.841 0 40 EJAB Cc1c(Cl)cnc(NC(=S)NC2CCCCCC2)c1Cl 224040665 YOOWXTCVLZUIRD-UHFFFAOYSA-N 332.300 4.706 0 40 EJAB CCCOc1ccc(NC(=O)C(Cl)(Cl)Cl)c2ccccc12 225784431 ZRMSPTVUMBQBBZ-UHFFFAOYSA-N 346.641 4.937 0 40 EJAB COc1ccc(C(=S)N2CCc3ccccc3C2)c2ccccc12 409194814 NADZMPPWXVFOKA-UHFFFAOYSA-N 333.456 4.582 0 40 EJAB Cc1ccccc1[C@H](N[C@H](C)c1ccc(O)nn1)[C@H]1CCC[C@@H](C)C1 671747520 HUEVAMFTLUQQDF-RACNMONISA-N 339.483 4.709 0 40 EJAB Clc1c(CN2CCC[C@H](c3nccs3)C2)[nH]c2ccccc12 2037850054 LXLIYPCKJIYRTM-LBPRGKRZSA-N 331.872 4.657 0 40 EJAB Cc1cccc(N2COc3c(cc4c(C)c(C)c(=O)oc4c3C)C2)c1C 2124986 CAQAECJMLUXHPC-UHFFFAOYSA-N 349.430 4.692 0 40 EJAB biogenic O=C(c1cccc(C(F)(F)F)c1)c1ccccc1CN1CCCCC1 2515520 PWACEDBGFLPPSC-UHFFFAOYSA-N 347.380 4.922 0 40 EJAB COCc1c(C(=O)Nc2ccc(C)c(Cl)c2)oc2ccccc12 2654381 IUSBSZGJSLKNBR-UHFFFAOYSA-N 329.783 4.793 0 40 EJAB Cc1c(Cl)cccc1NC(=O)Cc1cccc(C(F)(F)F)c1 6560949 PSAWBUGQEDJVEL-UHFFFAOYSA-N 327.733 4.848 0 40 EJAB ClC1(Cl)C[C@@H]1Cn1c(Cc2cccs2)nc2ccccc21 8786977 NRZCAKOEPMUCAR-LLVKDONJSA-N 337.275 4.882 0 40 EJAB CCCCN1C(=O)c2ccccc2[C@H]1c1c(C)n(C)c2ccccc12 9355464 PKWQHYZIJZWOED-NRFANRHFSA-N 332.447 4.832 0 40 EJAB O=C([C@@H](c1ccccc1)C1CCCC1)N1CCC(c2ccncc2)CC1 12117367 RXLDMBVMKOKZOC-QFIPXVFZSA-N 348.490 4.762 0 40 EJAB CCn1nc(C)c(CN2C[C@@H](c3ccccc3)C3(CCCC3)C2)c1C 12228191 XHSUFUPOHKMCQJ-NRFANRHFSA-N 337.511 4.680 0 40 EJAB C=CCc1ccc(OCC(=O)Nc2ccc3ccccc3c2)c(OC)c1 15415635 OPGJHGXZIZDEOO-UHFFFAOYSA-N 347.414 4.594 0 40 EJAB Cc1cccc(OCCS[C@H](C)C(=O)Nc2cc(C)ccc2C)c1 15492275 IKGKOTWXNRQADS-QGZVFWFLSA-N 343.492 4.751 0 40 EJAB COc1ccc(-c2nc3cnccn3c2Nc2cc(C)cc(C)c2)cc1 35622631 GEPZBWVLLGKDOA-UHFFFAOYSA-N 344.418 4.765 0 40 EJAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cccc(Cl)c1Cl 44946404 GEYXMRBIZSZQMP-CQSZACIVSA-N 342.197 4.929 0 40 EJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N[C@@H](C)c1ccc(C)c(C)c1 59351304 RNRPZWXYXCTMKM-RXVVDRJESA-N 339.479 4.955 0 40 EJAB O=[S@](Cc1csc(C2CCCC2)n1)Cc1ccc(Cl)s1 69813112 VLXBFRJEQBPJFO-FQEVSTJZSA-N 345.942 4.965 0 40 EJAB Cc1nc(N2CCCC2)ccc1[C@@H]1CCCCN1Cc1ccccc1 72218946 BZCWEIFEUZEXTL-NRFANRHFSA-N 335.495 4.717 0 40 EJAB CC1=C[C@@H](CN(C)C)[C@H](C(C)C)C[C@H]1Cc1nc2cccc(C)c2[nH]1 72320792 LHJLBECWATUPIX-FHWLQOOXSA-N 339.527 4.830 0 40 EJAB biogenic,in-vitro O=C(Nc1ccc(F)cc1F)N1C[C@@H]2CCCC[C@]21c1ccccc1 84525239 LYCVMSUSPKJXLG-YWZLYKJASA-N 342.389 4.898 0 40 EJAB O=C(COc1ccc2c(c1)CCCC2)Nc1ccccc1C(F)(F)F 96586353 OXGOIOHOZBWKKT-UHFFFAOYSA-N 349.352 4.602 0 40 EJAB Cc1ccc(NC(=S)NCCCSCc2ccccc2F)cc1 225611294 OAQSASITGURKJD-UHFFFAOYSA-N 348.512 4.744 0 40 EJAB CCCO[C@](C)(C(=O)Nc1ccc(OC2CCCC2)cc1)C1CC1 225671080 KOKLXAMBKNZNDF-FQEVSTJZSA-N 331.456 4.542 0 40 EJAB Cc1ccc(-c2nnsc2C(=O)Nc2ccc(F)c(Cl)c2)cc1 225774491 YMVQNVWLTDHRIB-UHFFFAOYSA-N 347.802 4.558 0 40 EJAB O=C(Nc1ccccc1-c1ccc(-c2ccccc2)cc1)c1cnc[nH]1 605663016 KBJPUTZRZDTKNC-UHFFFAOYSA-N 339.398 4.996 0 40 EJAB CCC(=O)c1ccc(OC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 118149 MQKBTBUNBSAYKZ-UHFFFAOYSA-N 346.810 4.534 0 40 EJAB CSc1ccccc1NC(=O)c1noc2c1C[C@H](C(C)(C)C)CC2 426625 YBGSMZJMBRRHNA-GFCCVEGCSA-N 344.480 4.800 0 40 EJAB O=C1N(c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)N2CCCN12 547609 UZCHRESNJPUUIR-INIZCTEOSA-N 348.233 4.555 0 40 EJAB Cc1ccc(C(=O)Nc2c(-c3ccccc3)nc3c(C)cccn23)cc1 577159 UAYMZYSUUVDIOX-UHFFFAOYSA-N 341.414 4.870 0 40 EJAB CCCCOc1ccc2c(C)c(CCCC)c(=O)oc2c1C(C)=O 2180714 MBTLUGRYSFHSLL-UHFFFAOYSA-N 330.424 4.826 0 40 EJAB CSCc1cc(Oc2ccc(Cl)cc2)nc(-c2ccncc2)n1 3105287 WHCJQSHAXWQWGZ-UHFFFAOYSA-N 343.839 4.847 0 40 EJAB O=C(Nc1ccc2c(c1)CCC2)c1ccc2[nH]c3c(c2c1)CCCC3 3286811 DPDVQXNLUHGUJK-UHFFFAOYSA-N 330.431 4.788 0 40 EJAB CC[C@@H](C(=O)OCC(=O)Nc1cccc2ccccc12)c1ccccc1 3411398 AIOTXRODCOJNBD-GOSISDBHSA-N 347.414 4.515 0 40 EJAB CCOc1ccccc1[C@@H]1N=C(O)c2c(sc3c2CC[C@@H](C)C3)N1 4571624 OJHIAYJMXSPZDW-PIGZYNQJSA-N 342.464 4.701 0 40 EJAB CC(C)(C)c1cc(OC(=O)Cc2cccc3ccccc23)ccc1O 4659265 ABQKMDIJZMNCPO-UHFFFAOYSA-N 334.415 4.991 0 40 EJAB C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1cccc(Cl)c1Cl 6587603 LBNBVLUDAPVZMC-QQOCCKOMSA-N 337.250 4.595 0 40 EJAB CCCSc1ncc(Cl)c(C(=O)Nc2ccccc2Cl)n1 6810506 GJVNMPQEQUAUCT-UHFFFAOYSA-N 342.251 4.538 0 40 EJAB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(OC(F)F)cc1 6886924 ZSUPCOWESVABCL-UHFFFAOYSA-N 332.133 4.847 0 40 EJAB Cc1cccc(NC(=O)CN2CC[C@H](C)Sc3ccccc32)c1C 8132344 POBJKJLIEYSTIQ-HNNXBMFYSA-N 340.492 4.633 0 40 EJAB Sc1nc2ccccc2c2nc(-c3ccc(Cl)cc3Cl)nn12 8559867 ZJXPYXWROUWPEP-UHFFFAOYSA-N 347.230 4.540 0 40 EJAB Cc1cc(Nc2ccccc2C(=O)O)nc(-c2ccc(Cl)cc2)n1 8702977 MWNWYMQWCAQQET-UHFFFAOYSA-N 339.782 4.547 0 40 EJAB O=C1C[C@H](c2ccc(OC3CCCCC3)cc2)c2sccc2N1 12429143 JDVHEMDPMQVFPT-MRXNPFEDSA-N 327.449 4.934 0 40 EJAB C[C@]12C=CC(=O)C(Cl)=C1CC[C@@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@]2(C)O 12656794 AGUNEISBPXQOPA-JCKPQHEUSA-N 334.887 4.612 0 40 EJAB biogenic,in-vitro CCCCOCCCNCc1ccccc1OCc1ccc(F)cc1 13719599 LCDRPEBVTGVBQC-UHFFFAOYSA-N 345.458 4.701 0 40 EJAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCCc1ccc(C)cc1 20458280 LSJKIMNQLWAYAU-HXUWFJFHSA-N 339.479 4.518 0 40 EJAB C[C@@H](Sc1ncnc2ccsc12)C(=O)c1cccc(Cl)c1 32850642 VFSDNKATHCOQPM-SECBINFHSA-N 334.853 4.708 0 40 EJAB COc1ccc(C(=O)Nc2ccc(OCc3cccs3)cc2)cc1 32930530 FMJMJVCOMBTTSN-UHFFFAOYSA-N 339.416 4.588 0 40 EJAB CC/C=C(/C)C(=O)N[C@@H](C)c1ccc(OC2CCCC2)c(OC)c1 40121438 MIKHTUJTWJGNDD-OWTLUSIOSA-N 331.456 4.550 0 40 EJAB Cc1nc(CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)no1 53223375 RNUPLBPQUKEOPF-UHFFFAOYSA-N 348.431 4.727 0 40 EJAB CCC[C@@H](C)NC(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 58202077 YAMUSHNWZGBBAG-BUDYXABQSA-N 325.496 4.829 0 40 EJAB O=C(Cc1cccc2ccccc12)N[C@H](c1ccccc1)C(F)(F)F 59301569 GSMSRUUCALKCGV-LJQANCHMSA-N 343.348 4.802 0 40 EJAB Cc1ccc(-n2nnc(-c3nc(-c4ccccc4)cs3)c2C)cc1C 67341691 IQEAJXCLSNIUBM-UHFFFAOYSA-N 346.459 4.983 0 40 EJAB CC(=O)N(c1nc(CS[C@H](C)c2cccs2)cs1)C1CC1 77962335 JRWYKJCOFHOEGI-SNVBAGLBSA-N 338.523 4.714 0 40 EJAB O=C(O)CC/C(=C/c1cccc(F)c1)c1nc2ccccc2s1 89874958 YNZQJZGHPGBXDI-RAXLEYEMSA-N 327.380 4.841 0 40 EJAB COc1ccc([C@@H]2c3sc(O)nc3S[C@@H]3[C@@H]4CC[C@H](C4)[C@H]23)cc1 100619929 NPIJXUGEZHABCE-GBIGGCNCSA-N 345.489 4.510 0 40 EJAB O=C(NCC[C@H]1C[C@H]2CC[C@H]1C2)N1CCCCC[C@@H]1c1ccncc1 107334944 PEOZENXAUFGANG-FRYIKTPZSA-N 341.499 4.535 0 40 EJAB COc1cc(SC)ccc1NC(=O)c1ccccc1C(F)(F)F 192972311 AOILEUIHTQRMIK-UHFFFAOYSA-N 341.354 4.688 0 40 EJAB COc1cc(Cl)c2[nH]c(-c3ccc(Br)cc3)nc2c1 216915456 KKZYAQSPBHPNHQ-UHFFFAOYSA-N 337.604 4.654 0 40 EJAB CCc1ccc(OCC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1 218955081 BVEJVIANCDYKIK-MRXNPFEDSA-N 339.479 4.803 0 40 EJAB CCc1ccc(CC)c(CNC(=O)[C@H](CC)Oc2cccc(C)c2)c1 225712100 CYKAUGUKZYPKDX-NRFANRHFSA-N 339.479 4.594 0 40 EJAB CCc1ccccc1NC(=O)c1snnc1-c1ccc(Cl)cc1 225769540 LVJDWZIOIJJIJT-UHFFFAOYSA-N 343.839 4.673 0 40 EJAB O=C(CSCc1c(Cl)cccc1Cl)N[C@H]1C[C@H]2CC[C@H]1C2 250780228 HVISAQAXDOQFFH-PGUXBMHVSA-N 344.307 4.531 0 40 EJAB C[C@@H]1C[C@@H](C)CN(c2ncnc3scc(-c4ccc(F)cc4)c23)C1 521492 LEWMLPXVFIGBOQ-CHWSQXEVSA-N 341.455 4.980 0 40 EJAB Fc1ccc(-c2csc(NC(=S)Nc3ccccc3)n2)cc1 521848 PLIZLGBKUVWUEA-UHFFFAOYSA-N 329.425 4.758 0 40 EJAB Clc1ccc([C@H](CCNC[C@@H]2CCCO2)Cc2ccccc2)cc1 2360436 OQGCDSXZUITRFQ-CTNGQTDRSA-N 343.898 4.825 0 40 EJAB CCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1cccs1)C2 2499244 NRRSVDPTUBXUEE-CYBMUJFWSA-N 345.464 4.644 0 40 EJAB Cc1c(Cl)c(=O)oc2cc(OCc3ccccc3Cl)ccc12 3217981 HFAAHUUQTFCNCW-UHFFFAOYSA-N 335.186 4.987 0 40 EJAB COc1ccc(NC(=O)c2sccc2-c2ccccc2)cc1OC 3326818 TVMOFOYELXCHSA-UHFFFAOYSA-N 339.416 4.685 0 40 EJAB Cc1ccc2nc(NC(=O)c3nc(-c4ccccc4)oc3C)sc2c1 3359595 LIVQKUXUCKUKOU-UHFFFAOYSA-N 349.415 4.820 0 40 EJAB O=C(Nc1ccccc1-c1ccccc1)C(=O)c1c[nH]c2ccccc12 4268556 YEZRIBXANRYCPY-UHFFFAOYSA-N 340.382 4.656 0 40 EJAB O=C(CSc1ccccc1)Nc1nc2c(Cl)cccc2s1 4496614 JMICEIFLQNFJLE-UHFFFAOYSA-N 334.853 4.681 0 40 EJAB C/C(=C/c1ccccc1)C(=O)Nc1nnc(C2CCCCC2)s1 4696228 AWMMHKZPGZAHFV-SEYXRHQNSA-N 327.453 4.628 0 40 EJAB COc1cc(C)ccc1C(=O)CCCC(=O)c1ccc(C)cc1OC 5539137 SUPBPECSDIXYJV-UHFFFAOYSA-N 340.419 4.557 0 40 EJAB CCc1oc2c(C)c(O)ccc2c(=O)c1-c1ccc2ccccc2n1 6366409 OWAJLWOUTXHOMQ-UHFFFAOYSA-N 331.371 4.585 0 40 EJAB Cc1cc2nc(NC(=O)Nc3cccc(C(F)(F)F)c3)[nH]c2cc1C 6796956 PHWWLIFWSYQXAI-UHFFFAOYSA-N 348.328 4.843 0 40 EJAB COc1cc(NC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)cc(OC)c1 7969918 GFRPKIXBZLPFDD-GOSISDBHSA-N 347.842 4.736 0 40 EJAB COc1cccc(CNC2CCCC2)c1OCc1ccccc1Cl 8495566 PTWRQVYWTRVYGQ-UHFFFAOYSA-N 345.870 4.960 0 40 EJAB Cc1cccc(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)c1 8724868 BJBMXRDFPOFVQA-UHFFFAOYSA-N 340.810 4.875 0 40 EJAB C[C@H]1CCC[C@@]2(CCc3cc4c5c(c(=O)oc4cc3O2)CCCC5)C1 9135105 WVUOPDJQAXABCC-RCDICMHDSA-N 338.447 4.946 0 40 EJAB O=C(COc1ccccc1Cl)Nc1ccc2c(c1)Cc1ccccc1-2 9141963 FDQIDRILWJPDCM-UHFFFAOYSA-N 349.817 4.929 0 40 EJAB C[C@@H](Nc1ccc2oc3ccccc3c2c1)C(=O)N1CCCCCC1 9364355 NPZNWHHLALRYIT-OAHLLOKOSA-N 336.435 4.789 0 40 EJAB O=C(Nc1ccc(N2CCCC2)cc1)c1ccccc1C(F)(F)F 10429494 QHVVESNPCFTAAU-UHFFFAOYSA-N 334.341 4.558 0 40 EJAB COc1ccc(CN(C(=O)Nc2cccc(Cl)c2)C2CC2)cc1 12875618 VKJKPLIUMAYRHX-UHFFFAOYSA-N 330.815 4.545 0 40 EJAB Cc1nc(-c2cccs2)sc1C(=O)N[C@@H](C)c1ccc(F)cc1 12892144 IONWJLNADXUHCV-JTQLQIEISA-N 346.452 4.810 0 40 EJAB Cc1cc(OC(=O)c2c(Cl)cccc2Cl)n(-c2ccccc2)n1 16283369 ATIGFACQCGLSSY-UHFFFAOYSA-N 347.201 4.707 0 40 EJAB C[C@H]1c2cccn2CCN1C(=S)Nc1ccc(Cl)cc1Cl 16310223 DOIZYZHTHQUGPS-JTQLQIEISA-N 340.279 4.569 0 40 EJAB CC[C@H](Oc1ccccc1C)C(=O)Nc1cccc(C(F)(F)F)c1 20567778 OAIGBWVYOQQVLY-HNNXBMFYSA-N 337.341 4.810 0 40 EJAB CCCC(=O)Nc1ccc(C(=O)[C@H](C)Sc2nc(C)cs2)cc1 21106771 NHCPMYLJCROWMN-LBPRGKRZSA-N 348.493 4.554 0 40 EJAB CCOC(=O)c1ccc(NCc2cc3ccccc3nc2Cl)cc1 24226125 QYKOFQSFEOXUBR-UHFFFAOYSA-N 340.810 4.677 0 40 EJAB COc1cccc(N(Cc2cccs2)C(=O)c2ccccc2F)c1 27749100 LACFYLRUIANQSH-UHFFFAOYSA-N 341.407 4.743 0 40 EJAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)[C@H](C)n1cnc2ccccc21 30606108 KMBSWAXMFUQEEJ-GJZGRUSLSA-N 347.418 4.563 0 40 EJAB Cc1ccccc1NC(=O)c1ccc(CN2CCc3ccccc32)cc1 38771726 FXBFVRXGLHYBAH-UHFFFAOYSA-N 342.442 4.810 0 40 EJAB O=C(CCc1ccc(Cl)cc1)Nc1cccc(C(F)(F)F)c1 40995205 FMMOVMBRRONLPO-UHFFFAOYSA-N 327.733 4.930 0 40 EJAB CC(C)c1noc([C@H](C)N2Cc3ccccc3-c3ccccc3C2)n1 60361405 WXWXZRROWURZIM-HNNXBMFYSA-N 333.435 4.937 0 40 EJAB COc1ccc(C)cc1C[S@](=O)Cc1csc(C2CCCC2)n1 69845323 JQXIOIFKCFLLAW-HSZRJFAPSA-N 349.521 4.567 0 40 EJAB Cc1nnc(S[C@H](C)c2nnc(CC(C)C)o2)n1C1CCCCC1 71893882 UQHWLAFNVSYIHZ-GFCCVEGCSA-N 349.504 4.527 0 40 EJAB Cc1csc(C(C)(C)NCc2csc(-c3ccccc3F)n2)n1 71911970 BGLSGDGKKHTPLF-UHFFFAOYSA-N 347.484 4.739 0 40 EJAB CCSc1ncccc1[C@H]1CCCCN1C(=O)c1ccccc1 72217218 DOSATXSUBDMEBG-QGZVFWFLSA-N 326.465 4.561 0 40 EJAB CSc1ccc(Cl)cc1NCc1nnc(Cc2ccccc2)o1 86203806 NIIIMZXRFLOBFS-UHFFFAOYSA-N 345.855 4.648 0 40 EJAB CC[C@@H](C)c1ccc(-n2c(S)nc3ccc(Cl)cc3c2=O)cc1 100435638 MPEVBFOPPVHBJP-LLVKDONJSA-N 344.867 4.841 0 40 EJAB CSc1ccc([C@@H]2C3=C(O)CCCC3=Nc3onc(C)c32)cc1 102718928 NRMAFGQFCVSLNO-INIZCTEOSA-N 326.421 4.919 0 40 EJAB Fc1cccc(-c2nc3cc(Br)cc(Cl)c3[nH]2)c1 216914603 CXZOQIUMKABGMW-UHFFFAOYSA-N 325.568 4.785 0 40 EJAB CC[C@H](NC(=O)[C@@H](C)Oc1ccc(C)c(C)c1)c1ccc(C)cc1C 219519922 YFUUZHAMCDSHDA-NQIIRXRSSA-N 339.479 4.955 0 40 EJAB CC[C@@H](NC(=O)COc1cccc2c1CCCC2)c1ccccc1C 222710221 AQNMLSZDVUTNDI-HXUWFJFHSA-N 337.463 4.520 0 40 EJAB CCc1ccc([C@@H](C)NC(=O)CCCOc2ccc(C)cc2)cc1 224223050 ULKGWUIBDVCPJD-QGZVFWFLSA-N 325.452 4.594 0 40 EJAB CCOC(=O)c1cc(NC(=O)c2cc(C)c(C)cc2C)ccc1Cl 225647249 IMYFKIVKXLDIPI-UHFFFAOYSA-N 345.826 4.694 0 40 EJAB CCOP(=O)(OCC)O[C@@H](c1ccc(Cl)cc1)C(F)F 306145738 OWIYLNYKYKJTEX-NSHDSACASA-N 328.679 4.844 0 40 EJAB FC(F)c1cc(NCC(c2ccccc2)c2ccccc2)ncn1 1639167825 VIOXHZCYDFKJRM-UHFFFAOYSA-N 325.362 4.658 0 40 EJAB COc1ccc(-c2csc3ncnc(N4CCC(C)CC4)c23)cc1 90128 RBMDSCPHMSFBON-UHFFFAOYSA-N 339.464 4.603 0 40 EJAB CCOc1ccc(/C=C/C(=O)Nc2cc(C)cc(C)c2)cc1OCC 147408 OHFDWSSIVUGDTM-CSKARUKUSA-N 339.435 4.753 0 40 EJAB Cc1ccc(-n2c(SC(C)C)nc3c([nH]c4ccccc43)c2=O)cc1 214025 JFYPYPFJULDCRZ-UHFFFAOYSA-N 349.459 4.676 0 40 EJAB O=C(Nc1ccccc1F)c1cc(-c2ccco2)nn1-c1ccccc1 254884 KPDQVPGUVRGOGB-UHFFFAOYSA-N 347.349 4.524 0 40 EJAB O=C1c2ccc3c4c(ccc(c24)C(=O)N1c1ccc2ccccc2c1)CC3 354337 AXTWTHAKJDGTSI-UHFFFAOYSA-N 349.389 4.892 0 40 EJAB CCN(CC)C1CCC(Nc2ccnc3cc(Cl)ccc23)CC1 1592047 JLAYDKVSQLVTNK-UHFFFAOYSA-N 331.891 4.953 0 40 EJAB Cc1ccc(SCCOc2ccc3c(C)cc(=O)oc3c2)cc1 2093817 VCQVBHMDWYBDPU-UHFFFAOYSA-N 326.417 4.581 0 40 EJAB biogenic COc1ccc(C)c2sc(NC(=O)c3ccc(Cl)s3)nc12 2723935 DWTRETIUCYZFIM-UHFFFAOYSA-N 338.841 4.581 0 40 EJAB C1=C(c2cccnc2)Nc2nc3ccccc3n2[C@H]1c1cccs1 2914643 URVBPCZBTJGAKH-QGZVFWFLSA-N 330.416 4.549 0 40 EJAB COc1ccccc1NCC(=O)Nc1ccccc1Oc1ccccc1 3403500 SRLVRGCXGATQDK-UHFFFAOYSA-N 348.402 4.538 0 40 EJAB Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)N2CCC(C)CC2)c1 7389222 GNGUTLBKOLBDQP-OAQYLSRUSA-N 336.479 4.715 0 40 EJAB Cc1ccccc1NC(=O)c1cccc(OCc2ccc(F)cc2)c1 8395215 KIVKFAMRIRCFAK-UHFFFAOYSA-N 335.378 4.965 0 40 EJAB CC(C)c1ccc(-c2nnc(NC(=O)/C=C/c3ccco3)s2)cc1 9910344 WHYGFXJYQGKGOU-MDZDMXLPSA-N 339.420 4.573 0 40 EJAB O=C(Nc1cc(Cl)ccc1Cl)c1ccc(CN2CCCC2)cc1 10433859 FCKDBPUTJNDQOE-UHFFFAOYSA-N 349.261 4.842 0 40 EJAB O=C(COc1ccc2c(c1)CCCC2)Nc1cccc2ccccc12 13897804 IHLRIXMWLHCWRI-UHFFFAOYSA-N 331.415 4.736 0 40 EJAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(F)c(F)c1 14400609 PSWWGSPPXYNHRJ-LBPRGKRZSA-N 333.378 4.668 0 40 EJAB O=C(NCCC12CC3CC(CC(C3)C1)C2)c1c(F)cccc1Cl 14723044 PBMBOWXCLQFHEV-UHFFFAOYSA-N 335.850 4.815 0 40 EJAB O=C(O)[C@@H]1CC(c2ccc3c(c2)CCCC3)=Nc2ccccc2S1 16776746 PAKGBKFTJUEOJX-IBGZPJMESA-N 337.444 4.635 0 40 EJAB CC[C@@H](NC(=O)[C@@H](C)SCc1ccccc1)c1ccc(OC)cc1 20484398 PZLZYIPZPHJEDY-DNVCBOLYSA-N 343.492 4.584 0 40 EJAB Cc1ccc([C@@H]2CC(=O)c3c(C)nn(-c4cccc(C)c4)c3C2)cc1 20632858 XQLUXSIDQOGLJK-SFHVURJKSA-N 330.431 4.710 0 40 EJAB CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@H](CC)c1ccccc1 22528327 PQBBLFZSEPYCBJ-IAGOWNOFSA-N 331.843 4.765 0 40 EJAB O=C(CSCc1cccc(Cl)c1)Nc1ccccc1Cl 23411017 HSPASYBDVIMXRK-UHFFFAOYSA-N 326.248 4.865 0 40 EJAB C[C@H](Sc1nc2ccccc2s1)c1nc(-c2ccco2)no1 29738106 QGGQWJOFNJPFTA-VIFPVBQESA-N 329.406 4.793 0 40 EJAB Fc1cc2c(cc1F)N(Cc1csc(-c3ccsc3)n1)CC2 32935637 FDCFVZYFFKULGB-UHFFFAOYSA-N 334.416 4.713 0 40 EJAB CN(Cc1cccs1)C(=O)c1ccc(-c2ccccc2Cl)o1 39514950 LEQIGPLTCZNTIX-UHFFFAOYSA-N 331.824 4.934 0 40 EJAB C[C@@H](c1cc2ccccc2o1)N(C)Cc1nc(-c2ccsc2)no1 40066993 AXZBKCDNCYEPMJ-LBPRGKRZSA-N 339.420 4.737 0 40 EJAB CCCCOc1ccc(-c2cc(C(=O)Nc3ccccc3)no2)cc1 61997089 YZFGNPUTRNOQAE-UHFFFAOYSA-N 336.391 4.773 0 40 EJAB COc1ccc(C(=O)N2CCc3sccc3C2)cc1-c1ccccc1 64898983 PQYCUNIGNSTLMU-UHFFFAOYSA-N 349.455 4.622 0 40 EJAB COC(=O)C1=C(Nc2ccc(OC)cc2)C=C(C)C[C@@H]1c1ccccc1 66091577 IBRAMJQFBKGLGE-LJQANCHMSA-N 349.430 4.668 0 40 EJAB Cc1cc(=S)[nH]cc1[C@@H]1CCCCN1C(=O)OCc1ccccc1 72218350 ZUKRPCNPPNNPLO-KRWDZBQOSA-N 342.464 4.916 0 40 EJAB CCC[C@@H](CNC(=O)c1cc(-c2cccs2)on1)c1ccccc1 72427526 SCQNAPRKOIBGFP-HNNXBMFYSA-N 340.448 4.717 0 40 EJAB Cc1ccc([C@H](C)NC(=O)[C@H](C)Sc2nc3ccccc3s2)o1 95447716 YQYHITCCIHLCCY-RYUDHWBXSA-N 346.477 4.556 0 40 EJAB Clc1cccc2c1CC[C@@H]2NCc1csc(-c2ccccn2)n1 95956252 ILHVBHZLUTUPPP-INIZCTEOSA-N 341.867 4.636 0 40 EJAB 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343.835 4.885 0 40 EJAB CCC[C@H](C)NCC(=O)Nc1ccccc1Sc1ccccc1 2647532 PMCZMBQUUFTLEH-HNNXBMFYSA-N 328.481 4.555 0 40 EJAB Cc1cccc(C)c1NC(=O)c1cc(Br)ccc1Cl 3405347 ODHNGGMRFAHFSI-UHFFFAOYSA-N 338.632 4.972 0 40 EJAB CCOc1ccc(-c2cnc(NCc3ccc(Cl)cc3)n2C)cc1 4679004 AGNMLOQGLXMSCS-UHFFFAOYSA-N 341.842 4.751 0 40 EJAB CCn1c(-c2ccccc2)c(C(=O)CNCC(C)C)c2ccccc21 5939795 BLWVAAPLZQIZLM-UHFFFAOYSA-N 334.463 4.757 0 40 EJAB O=C(c1ccccc1F)N(Cc1ccc(Cl)cc1)Cc1ccco1 6810590 ZRCCUQBPJVQFJM-UHFFFAOYSA-N 343.785 4.915 0 40 EJAB COc1ccc(CN(C)C(=O)CCc2ccc(C(C)(C)C)cc2)cc1 10357969 TZVJULAZBUXLLB-UHFFFAOYSA-N 339.479 4.584 0 40 EJAB Cc1cccc(-n2c(N)c(-c3nc4ccccc4[nH]3)sc2=S)c1 13216635 HPUFDXLCXITGKG-UHFFFAOYSA-N 338.461 4.702 0 40 EJAB Brc1cccc([C@H]2SCc3nc4ccccc4n32)c1 13220129 WMEXLDJBKXUZPX-OAHLLOKOSA-N 331.238 4.593 0 40 EJAB COc1ccccc1NC(=O)Nc1nc2cc(C)c(C)cc2s1 13326539 IIUOBMQRQQYBFV-UHFFFAOYSA-N 327.409 4.566 0 40 EJAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccccc1Cl 14914715 YXEHAXADKUQYJW-LLVKDONJSA-N 340.275 4.790 0 40 EJAB CCOc1ccc(-c2cc(C(=O)Sc3ccc(C)cc3)no2)cc1 20896758 ROVXDRWVSAJMST-UHFFFAOYSA-N 339.416 4.981 0 40 EJAB O=C(NCc1ccccc1C(F)(F)F)c1cc(Cl)ccc1Cl 72331634 VKEWJLNZWXFTTM-UHFFFAOYSA-N 348.151 4.942 0 40 EJAB Cc1ccc(SCC(F)(F)F)c(NC(=O)c2c(C)noc2C)c1 76448144 MCJXCKRNJPIAQM-UHFFFAOYSA-N 344.358 4.507 0 40 EJAB COC(=O)Nc1cccc(NCc2cc3ccccc3nc2Cl)c1 79180069 BNMCNZRVVRQUQG-UHFFFAOYSA-N 341.798 4.679 0 40 EJAB c1cnc(OC2CCCC2)c(CNCc2cccc3ccccc23)c1 84598468 VMIIOOIEPAAIFO-UHFFFAOYSA-N 332.447 4.846 0 40 EJAB O=c1ccn(CCCc2ccc(C(F)(F)F)cc2)c2ccccc12 95965860 KTQBBWJYNODRAA-UHFFFAOYSA-N 331.337 4.653 0 40 EJAB CCN(C(=O)Nc1cccc(COC(C)C)c1)[C@@H](C)c1cccnc1 96406975 SNWLCFSWAOSIOB-INIZCTEOSA-N 341.455 4.622 0 40 EJAB CCSc1ccccc1C(=O)N1CCS[C@H](c2ccco2)CC1 207009065 SRKQTLKQHXCJDY-KRWDZBQOSA-N 347.505 4.712 0 40 EJAB CCc1ccccc1O[C@H](C)C(=O)N[C@@H](C)c1ccc(C)c(C)c1 219295636 TWYHWBRWDSJFBI-DLBZAZTESA-N 325.452 4.511 0 40 EJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCCc1ccc(C)cc1 219605340 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4.589 0 40 EJAB O=C([C@@H]1CCCc2ccccc21)N(C1CC1)[C@@H]1CCc2ccccc21 58101909 AJDKPIAOUZKFQR-FGZHOGPDSA-N 331.459 4.785 0 40 EJAB CC(=O)Nc1ccc(CN[C@H](C)c2ccccc2C(F)(F)F)cc1 58216853 VGQPXYMLBBCQIK-GFCCVEGCSA-N 336.357 4.515 0 40 EJAB Oc1nc(SCc2cc(F)cc(F)c2)nc2c1oc1ccccc12 67259873 JINAFVGBFSARRL-UHFFFAOYSA-N 344.342 4.652 0 40 EJAB CC(=O)Nc1c(C(=O)Cc2c(C)cc(C)cc2C)oc2ccccc12 68603829 ZQNZCUDLINGXTC-UHFFFAOYSA-N 335.403 4.742 0 40 EJAB OC1=Nc2c(cnn2Cc2cccs2)[C@H](C2CCCCC2)SC1 95475815 QAMWVCWTBUZMQR-INIZCTEOSA-N 347.509 4.949 0 40 EJAB COc1cc(C)c(S(=O)(=O)Nc2c(C)cccc2C(C)C)c(C)c1 96659383 UUYXSOXEVWEAPC-UHFFFAOYSA-N 347.480 4.545 0 40 EJAB Cc1ccc(C)c([C@H](C)NC(=O)CSc2ccc(Cl)cc2)c1 113935160 XZZTYNHYSDAVQA-AWEZNQCLSA-N 333.884 4.926 0 40 EJAB O=C(O)c1cn(C(=O)c2ccc(-c3ccccc3)cc2)c2ccccc12 216950765 IJAVCRWYVUVRNF-UHFFFAOYSA-N 341.366 4.695 0 40 EJAB CCc1ccccc1O[C@@H](C)C(=O)N[C@@H](CC)c1ccc(C)c(C)c1 219295729 RDADDGPYIMYRLK-PXNSSMCTSA-N 339.479 4.901 0 40 EJAB CC(C)(C)SCCNC(=O)CCCSc1ccc(Cl)cc1 222685248 XOGCDXYFWHIGJI-UHFFFAOYSA-N 345.961 4.860 0 40 EJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCc1cccc2ccccc12 222873622 HDELKOLQBWXLCX-NRFANRHFSA-N 347.458 4.930 0 40 EJAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NC(C)(C)CC(C)(C)C 224283691 PTXUUTYAJUBYNC-OAHLLOKOSA-N 327.468 4.938 0 40 EJAB CC[C@@H](NC(=O)c1ccccc1SC)c1ccc(OC)c(C)c1 224458663 PGJWZVJVWHTDQV-MRXNPFEDSA-N 329.465 4.607 0 40 EJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(F)c(F)c1 225570020 WRXALYXJTYJTNN-LJQANCHMSA-N 345.389 4.640 0 40 EJAB CCOc1ccc(NC(=O)C2(OCC)CCC(C)CC2)cc1Cl 225721871 PIBIESYTSIPCRX-UHFFFAOYSA-N 339.863 4.663 0 40 EJAB CCCC[C@@](C)(OC)C(=O)Nc1ccc(OCC)c2ccccc12 225800982 LGVMERDVLVYPKF-HXUWFJFHSA-N 329.440 4.772 0 40 EJAB CC1(c2cccc(Cl)c2)CCN(C(=O)c2ccc(F)cc2F)CC1 1128364129 QBIMWXCIZVOGBX-UHFFFAOYSA-N 349.808 4.812 0 40 EJAB Cc1ccc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc1 387055 AFCDBROLFOELAV-UHFFFAOYSA-N 333.416 4.624 0 40 EJAB COc1cc2cc(C)c(SCc3ccccc3F)nc2cc1OC 415762 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CCc1ccc2oc(-c3cc(NC(=O)CC(C)C)ccc3O)nc2c1 8990350 YKDURYNGPOYRFQ-UHFFFAOYSA-N 338.407 4.747 0 40 EJAB Cc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c(F)c1 12784811 FNFALEFHGZJFCO-JTQLQIEISA-N 342.197 4.847 0 40 EJAB Cc1cc(C(=O)CCC(=O)N[C@@H](c2cccs2)C(C)C)c(C)s1 14228227 BGAFLFYUMXUZCI-GOSISDBHSA-N 349.521 4.903 0 40 EJAB O=C(Nc1nc2ccccc2s1)c1cc(F)c(Cl)cc1Cl 17367945 FDAWLFMEXCYPPF-UHFFFAOYSA-N 341.194 4.995 0 40 EJAB O=C(Cc1cccc(F)c1)N(Cc1ccccc1)Cc1ccccc1 19934902 MNFIOZBCPAWSKL-UHFFFAOYSA-N 333.406 4.597 0 40 EJAB CN(C(=O)c1ccc(CN2CCCc3ccccc32)cc1)C1CCCC1 20050114 YHSKANFORPRZSA-UHFFFAOYSA-N 348.490 4.654 0 40 EJAB Cc1ccc(NC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)cc1C 20493043 MHPARQMMZMRWSC-MRXNPFEDSA-N 336.479 4.788 0 40 EJAB Cc1ccc(O[C@@H](C)C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)cc1 21830004 QNYOTJVFZZWZPH-LIRRHRJNSA-N 343.854 4.683 0 40 EJAB O=C(Nc1ccccc1)c1cccnc1Nc1ccc(F)c(Cl)c1 22053712 IOHNBMSPWPTZLW-UHFFFAOYSA-N 341.773 4.870 0 40 EJAB O=C(Nc1ccc(F)cc1)c1cccnc1Nc1ccc(Cl)cc1 22053890 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CC(=O)c1cc2c(C)c(C(=O)c3ccc(Cl)cc3)oc2cc1O 68734545 UJMPKBAHOUUKBV-UHFFFAOYSA-N 328.751 4.534 0 40 EJAB Cc1cnc(NC(=O)c2ccc(Oc3cccc(Cl)c3)o2)s1 72264835 UJHHDNWYRNETBY-UHFFFAOYSA-N 334.784 4.743 0 40 EJAB COc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCCCC[C@@H]1c1ccco1 75142749 HVHHXPKFXHHYMQ-RCCFBDPRSA-N 339.435 4.536 0 40 EJAB CO[C@@H](C)c1cccc(NC(=O)N(C2CC2)[C@H](C)c2ccco2)c1 84656150 OPQVVJGNOQXUGM-KGLIPLIRSA-N 328.412 4.745 0 40 EJAB CCOc1cc(/C=C/[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1 96190090 OPPUZFADVMQZQS-MDZDMXLPSA-N 333.771 4.565 0 40 EJAB Cc1cccc(CSCC(=O)NCCCc2ccccc2Cl)c1 222741236 WSIUMLIXKWURFK-UHFFFAOYSA-N 347.911 4.631 0 40 EJAB CC[C@H](Oc1cccc(C)c1)C(=O)NCc1ccc2ccccc2c1 222795694 ZRGWSTDRCGXTMQ-NRFANRHFSA-N 333.431 4.622 0 40 EJAB C[C@@H](NC(=O)Cc1ccc(Cl)cc1F)c1ccc2c(c1)CCCC2 222999679 GJSQALGHZBQJKL-CYBMUJFWSA-N 345.845 4.778 0 40 EJAB CCc1ccc(CC)c(CNC(=O)c2ccccc2Br)c1 223014182 ACVGEIILXFVJJU-UHFFFAOYSA-N 346.268 4.504 0 40 EJAB Fc1cccc(F)c1NC(=S)NC1(c2ccccc2)CCCC1 225860065 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Cc1ccccc1CN1CCCC[C@H]1c1nnc(-c2cccs2)o1 72390136 BBFOLYMOUXBHQV-INIZCTEOSA-N 339.464 4.834 0 40 EJAB C[C@@H](c1ccc(F)cc1)[S@@](=O)Cc1csc(-c2ccco2)n1 78602610 GOCMWVXTBJNKPS-KPWVOAKYSA-N 335.425 4.552 0 40 EJAB COc1ccc2c(c1)c(C(=O)N[C@H](C)CCC(C)C)c(C)n2C1CC1 84026931 WWEMJUPHCHNDGM-CQSZACIVSA-N 342.483 4.848 0 40 EJAB Cc1ccc(SCc2ccc(I)cc2)cc1 88186590 JVZQEEPJVPVJKP-UHFFFAOYSA-N 340.229 4.892 0 40 EJAB COc1cc(C)c(CN2CCCCC[C@@H]2c2ccncc2)cc1OC 95356878 FIGKCTXRBUGTOP-LJQANCHMSA-N 340.467 4.525 0 40 EJAB CCCC(=O)c1cn(CCOc2ccc(OC)cc2)c2ccccc12 107881439 HAHKKZOKCUDOAD-UHFFFAOYSA-N 337.419 4.712 0 40 EJAB CO[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H](OC(C)=O)C[C@@]4(C)CC[C@@H]32)C1 118926495 FQVPPGVKBAZPLS-HRXWASAYSA-N 346.511 4.896 0 40 EJAB Cc1ccc(NC(=O)c2ncc(-c3ccc(F)cc3)o2)c(Cl)c1 206588047 MPLPEIVDDUNGKK-UHFFFAOYSA-N 330.746 4.695 0 40 EJAB Cc1cc(C)c2oc(-c3ccc(N(C)C)c(Br)c3)nc2c1 216879695 NJJGLYXRQGHMID-UHFFFAOYSA-N 345.240 4.940 0 40 EJAB CC[C@H](NC(=O)CSCc1ccccc1F)c1ccc(C)c(C)c1 222712176 HFIWCLTZTLWGIB-IBGZPJMESA-N 345.483 4.943 0 40 EJAB O=C(CCCc1c[nH]c2ccccc12)N1CCCC[C@@H]1c1cccnc1 225411415 XKYKVYFGVZEROH-OAQYLSRUSA-N 347.462 4.639 0 40 EJAB biogenic Cc1ccc([C@@H](C)NC(=S)Nc2cccc(Br)c2)cc1 225467764 YRVNEIMUSDWNAH-GFCCVEGCSA-N 349.297 4.805 0 40 EJAB C[C@@H](Sc1ncnc2c1CCC2)c1ccc(OC(F)(F)F)cc1 590492434 FMLPWFAACRFVNC-SNVBAGLBSA-N 340.370 4.717 0 40 EJAB CN(C)c1ccc2cc(NC(=O)c3ccc4c(c3)CCC=C4)ccc2n1 1535349028 MFRMDBQYBVVJBT-UHFFFAOYSA-N 343.430 4.513 0 40 EJAB CCOc1ccc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cc1 290831 FCFIAKLBVCDQOJ-UHFFFAOYSA-N 329.399 4.909 0 40 EJAB CC(C)Cc1ccc([C@@H](C)C(=O)Nc2cc(Cl)ccc2O)cc1 365187 JHTULMNKLFLNTH-CYBMUJFWSA-N 331.843 4.986 0 40 EJAB Clc1ccc2nc(-c3cccs3)c(NCc3ccco3)n2c1 413730 OEGJPENCWZWWHS-UHFFFAOYSA-N 329.812 4.921 0 40 EJAB Cc1cc(OCC(=O)Nc2ccc(F)c(Cl)c2)cc(C)c1Cl 514094 OEXFAUAYDKXJPY-UHFFFAOYSA-N 342.197 4.767 0 40 EJAB Cc1ccc(NC(=O)c2ccc(OC(C)C)cc2)c(Br)c1 3400865 XNECZQKVTUVDFB-UHFFFAOYSA-N 348.240 4.797 0 40 EJAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccccc1F 4703989 OSUGGYNGQRAAPP-VOTSOKGWSA-N 340.181 4.793 0 40 EJAB Cc1cccc(-n2ncc3c(Nc4cccc(Cl)c4)ncnc32)c1 6207451 GQOVNANAFIMTDC-UHFFFAOYSA-N 335.798 4.521 0 40 EJAB CC[C@@H](C)c1ccccc1OCC(=O)N[C@@H]1CCCc2ccccc21 7063504 WOFKUXJXCQXTEH-OXQOHEQNSA-N 337.463 4.773 0 40 EJAB COc1ccc(-c2csc(Nc3ccc(F)cc3)n2)c(OC)c1 8042170 JAUMEPUPIJCCMU-UHFFFAOYSA-N 330.384 4.710 0 40 EJAB CCc1cccc(CC)c1NC(=O)[C@H](CC)Oc1ccc(C)cc1 8478464 ONHPLVJGXDTWRQ-IBGZPJMESA-N 325.452 4.916 0 40 EJAB O=C(Nc1nc2ccccc2s1)N1CCC[C@H]1c1cccs1 10035817 LVYNYRSVZLNJEZ-LBPRGKRZSA-N 329.450 4.727 0 40 EJAB COc1ccc(C(=O)Nc2cccc(Oc3ccccc3)c2)c(OC)c1 12764615 HEAXLKHYYMTDJU-UHFFFAOYSA-N 349.386 4.748 0 40 EJAB Cc1ccc(-c2cn3c4ccccc4nc3n2CCCNC(C)C)cc1 13801914 UNIJHHDFTVSVEH-UHFFFAOYSA-N 346.478 4.653 0 40 EJAB CC[C@H]1c2ccsc2CCN1Cc1c[nH]nc1-c1cccs1 19500995 IRKIGXWISFBEPX-AWEZNQCLSA-N 329.494 4.709 0 40 EJAB CCCn1nc(NC(=O)c2ccccc2)c2cc3cc(C)ccc3nc21 21596581 MKIMDGBLBDNCDR-UHFFFAOYSA-N 344.418 4.555 0 40 EJAB COCc1cccc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)c1 29143642 FRJSMBMHINGYOG-SOFGYWHQSA-N 336.218 4.792 0 40 EJAB CC[C@H](NC(=O)c1cc(C2CC2)nc2onc(C)c12)c1ccc(C)cc1 36614055 UFYNXIUHHSOYBD-KRWDZBQOSA-N 349.434 4.598 0 40 EJAB O=C(NCc1cccs1)Nc1cccc(-c2nc3ccccc3[nH]2)c1 36709344 CCYUSOXGGPHHRF-UHFFFAOYSA-N 348.431 4.613 0 40 EJAB Cc1cc(Br)c2oc(-c3ccc(N)cc3Cl)nc2c1 40542281 PZAXAUIEJPCKNZ-UHFFFAOYSA-N 337.604 4.801 0 40 EJAB CC[C@H](C)c1ccc(OCC[C@@H]2CCCCN2)c(Br)c1 42770383 FMEVYXJNSPYRRN-ZFWWWQNUSA-N 340.305 4.874 0 40 EJAB O=C(NCCSc1ccccc1)Nc1ccccc1C(F)(F)F 43159347 NLMCWTMFTYKPSR-UHFFFAOYSA-N 340.370 4.619 0 40 EJAB CCCCNc1cc(C(F)(F)F)c(Br)c(Cl)n1 43224368 DYKCGBXLWXFTLZ-UHFFFAOYSA-N 331.563 4.728 0 40 EJAB c1ccc2ncc(CN3CC[C@H](c4nc5ccccc5s4)C3)cc2c1 49168912 FICDCHNHNXLZOH-KRWDZBQOSA-N 345.471 4.834 0 40 EJAB biogenic,in-vitro CC(C)(C)OC(=O)N(c1ccccc1)c1ccc([C@H]2CCCN2)cn1 72215785 BHUCEVXYPVUGNT-QGZVFWFLSA-N 339.439 4.579 0 40 EJAB CC(C)Sc1ncccc1[C@H]1CCCN1C(=O)c1ccccc1 72217549 MTRVBLNVYKCHQN-QGZVFWFLSA-N 326.465 4.559 0 40 EJAB Cc1ccc(NC(=O)N2CCC(C)CC2)c(OCc2ccccc2)c1 84146350 JEMQBYOJLKIMML-UHFFFAOYSA-N 338.451 4.838 0 40 EJAB Cc1nc(C(F)(F)F)ccc1C(=O)N(C)C1CCCCCCC1 89536865 AUVVEJQOJVAPGS-UHFFFAOYSA-N 328.378 4.594 0 40 EJAB O=C(Nc1ccc(F)c(F)c1F)C12C[C@@H]3C[C@H](CC(Cl)(C3)C1)C2 102337098 UGGPJAJIQQDCHJ-ILFNSWOPSA-N 343.776 4.620 0 40 EJAB Cc1cc(Cl)ccc1OCCCC(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 102607665 IZTFTQNBTGOQST-CVYDXHPNSA-N 349.902 4.748 0 40 EJAB CCOC(=O)c1ccc(OCc2ccc(C)cc2)c(Br)c1 216817776 YLUVDZDJBWPTDX-UHFFFAOYSA-N 349.224 4.513 0 40 EJAB CCc1ccc(OCC(=O)Nc2ccc(OC3CCCC3)cc2)cc1 218956182 QSDCOYIHCGHGJH-UHFFFAOYSA-N 339.435 4.588 0 40 EJAB Cc1ccc([C@H](C)NC(=O)[C@H](C)Oc2cccc3c2CCCC3)cc1 223652648 ORXNEVYWBCJTTK-IRXDYDNUSA-N 337.463 4.519 0 40 EJAB C[C@H](Oc1cccc2ccccc12)C(=O)NC[C@@H](C)c1ccccc1 224288098 TZYSOFAHIGAPFU-SJORKVTESA-N 333.431 4.527 0 40 EJAB CCSc1ccccc1C(=O)NCc1ccc(-c2ccco2)o1 585147812 OBPJNIYDAOUWBO-UHFFFAOYSA-N 327.405 4.582 0 40 EJAB Cc1ccc2c(c1)OC1(CCN(C3CCCC3)CC1)[C@@H]1CCCO[C@@H]21 1615155670 PIHJNIRTRNNNKP-CTNGQTDRSA-N 341.495 4.632 0 40 EJAB CCc1ccc(NC(=O)c2noc3c2C[C@@H](C(C)(C)C)CC3)cc1 426611 IQTZAUSYRSBSHU-AWEZNQCLSA-N 326.440 4.640 0 40 EJAB CC(C)(C)c1ccc(C(=O)Nc2nc3ccc(F)cc3s2)cc1 1268913 HHUFTIHWRWHFED-UHFFFAOYSA-N 328.412 4.985 0 40 EJAB CCOC(=O)C(CCC(C)(C)C)(CCC(C)(C)C)C(=O)OCC 1646244 BXUVKNGFXWJLLQ-UHFFFAOYSA-N 328.493 4.752 0 40 EJAB CC1(C)C[C@](Br)(Cc2ccccc2)C(=O)c2ccccc21 1744752 RQUFVADUAKLTFG-LJQANCHMSA-N 343.264 4.927 0 40 EJAB CCCOc1ccc(Cc2c(Cl)nc(SC)nc2Cl)cc1 2262059 ULGNLOQEJRSZPU-UHFFFAOYSA-N 343.279 4.885 0 40 EJAB N#Cc1ccc(NC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1 2636056 JHXUIEQQOGEHNM-UHFFFAOYSA-N 339.354 4.619 0 40 EJAB Cc1sc2c(c1C)c(=O)n(-c1ccccc1)c(=S)n2C(F)F 3277591 NCBWLAXTDHAUAX-UHFFFAOYSA-N 338.404 4.595 0 40 EJAB Cc1oc(-c2ccccc2Cl)cc1C(=O)NCCc1ccccc1 5033259 ALRNRCGUPHJNQC-UHFFFAOYSA-N 339.822 4.881 0 40 EJAB Cc1ccc(C)c(NC2=NN=C(c3ccc(Cl)s3)CS2)c1 5660403 FWAMJGNSYKXVMC-UHFFFAOYSA-N 335.885 4.937 0 40 EJAB O=c1c(-c2ccccc2Cl)c(C(F)(F)F)oc2cc(O)ccc12 5731330 NVWFOLBTOQENGO-UHFFFAOYSA-N 340.684 4.838 0 40 EJAB CCOc1ccc(C(=O)Nc2c(CC)cccc2CC)cc1OCC 6168971 CNECPGZPYVNTLF-UHFFFAOYSA-N 341.451 4.861 0 40 EJAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc(Cl)cc1F 6270765 KUWXEMIOHUZECU-JTQLQIEISA-N 342.197 4.847 0 40 EJAB CCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 6870035 DCBLUYLJUFLJMJ-UHFFFAOYSA-N 332.382 4.658 0 40 EJAB COc1ccc(CNCc2ccc(-c3ccc(Cl)cc3)o2)cc1 7538635 BADHCEPWNQKWNZ-UHFFFAOYSA-N 327.811 4.898 0 40 EJAB O=C(Nc1nc2c(s1)CCC2)c1cccc(Oc2ccccc2)c1 8184611 MEVDLTXNOILCPN-UHFFFAOYSA-N 336.416 4.676 0 40 EJAB O=C(CCSc1ccc(F)cc1)Nc1ccc2ncsc2c1 10217343 PNIFZOMPJVQXJF-UHFFFAOYSA-N 332.425 4.556 0 40 EJAB O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)Nc1cccc(N2Cc3ccccc3C2)c1 12360056 PZOOPWGNIRNKHL-QKLQHJQFSA-N 346.474 4.972 0 40 EJAB Cc1ccc(CC(=O)NCCSCc2cccc(Cl)c2)cc1C 13677791 CBLDITZDTANZRB-UHFFFAOYSA-N 347.911 4.549 0 40 EJAB C[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)OCO2 14483497 QHHXKYSOFQHXKI-HNNXBMFYSA-N 345.398 4.573 0 40 EJAB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1 16439852 REDXJLZZROAFAC-RVDMUPIBSA-N 340.810 4.674 0 40 EJAB CC[C@H](C)c1ccccc1O[C@H](C)C(=O)Nc1ccc(Cl)c(N)c1 19736699 MYFXIFSWODZJOP-QWHCGFSZSA-N 346.858 4.842 0 40 EJAB Cc1cc(C)c(NC(=O)c2cnn(-c3ccccc3)c2C)c(Cl)c1 21973734 LTQIMKULDGGEAZ-UHFFFAOYSA-N 339.826 4.703 0 40 EJAB Cc1ccc2oc(C(=O)Nc3ccnn3Cc3ccccc3)c(C)c2c1 28402745 NMOHPAPPXLCWBO-UHFFFAOYSA-N 345.402 4.547 0 40 EJAB Clc1ccc(-c2nc(CSc3nc4ccccc4[nH]3)no2)cc1 29296097 HIALNIYEPRCMAF-UHFFFAOYSA-N 342.811 4.559 0 40 EJAB O=C(Nc1cc(-c2ccccc2)n[nH]1)c1c(Cl)cccc1Cl 32501741 SPDLEGSHEGFPJD-UHFFFAOYSA-N 332.190 4.636 0 40 EJAB Cc1ccc2oc([C@H]3CCN(Cc4cccc(Cl)c4)C3)nc2c1 35446471 LHUUGKQLMUDCTQ-HNNXBMFYSA-N 326.827 4.779 0 40 EJAB biogenic,in-vitro C[C@@H](NC(=O)Nc1ccc(OC(F)(F)F)cc1)c1cccs1 40023913 YJIIABIENAXTND-SECBINFHSA-N 330.331 4.529 0 40 EJAB Cc1[nH]c2ccc(C(=O)N(C)Cc3ccc([C@H]4C[C@@H]4C)o3)cc2c1C 45927539 RRYUPXSQGLEUQE-SJCJKPOMSA-N 336.435 4.773 0 40 EJAB Cc1oc(-c2ccccc2)nc1C[S@@](=O)Cc1ccc(Cl)cc1 69488710 NFEXFFSIBPQSMR-HSZRJFAPSA-N 345.851 4.752 0 40 EJAB Cc1cc(CC(=O)Nc2ccccc2Oc2ccccc2Cl)no1 71905585 DQTZSUFKFWCMET-UHFFFAOYSA-N 342.782 4.610 0 40 EJAB CC(=O)c1sccc1-c1cc(NC2CCCC2)nc2[nH]ccc12 72144164 PKIDXEAIVYAJCD-UHFFFAOYSA-N 325.437 4.849 0 40 EJAB CN1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 72215517 LRRWUBQCVGOCJK-QGZVFWFLSA-N 345.487 4.532 0 40 EJAB Cc1cccc(C(C)C)c1NC(=O)c1cccc(Oc2cnccn2)c1 78169564 IIHGBGTVCRNOHI-UHFFFAOYSA-N 347.418 4.953 0 40 EJAB CC(C)c1nc(C[S@](=O)Cc2ccccc2C(F)(F)F)cs1 78394562 TULVZOHHCMGEQS-QFIPXVFZSA-N 347.427 4.734 0 40 EJAB Cc1cccc([C@@H]2CC(c3ccco3)=NN2C(=O)c2ccccc2F)c1 97165242 DGCXXHLPKIRZDI-IBGZPJMESA-N 348.377 4.719 0 40 EJAB CC[C@H](NC(=O)COc1cc(C)ccc1C)c1ccc(C)c(C)c1 218952280 GDDYECMVDVCYEH-IBGZPJMESA-N 325.452 4.567 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)COc2ccccc2C(C)(C)C)cc1C 222801651 LXJLZMFCTRDEEC-QGZVFWFLSA-N 339.479 4.857 0 40 EJAB C[C@H](NC(=O)CSCc1ccccc1)c1ccc2c(c1)CCCC2 222904219 NAEMLVJUPXMPJK-INIZCTEOSA-N 339.504 4.676 0 40 EJAB Cc1ccc(O[C@@H](C)C(=O)N[C@H](C)c2cc(C)c(C)cc2C)c(C)c1 223472307 VWCBOQKSBPSOCN-MOPGFXCFSA-N 339.479 4.873 0 40 EJAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc2c3c(cccc13)CC2 224450132 QQBGUQDAABNQCX-FQEVSTJZSA-N 349.405 4.874 0 40 EJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NC[C@@H](C)c1ccccc1 224455945 ORSWYOCFLCJRKG-DYESRHJHSA-N 347.458 4.917 0 40 EJAB CCc1ccc([C@@H](C)NC(=O)[C@H](CC)Oc2cccc(C)c2)cc1 224927501 VLNOYSRAJATBCC-UZLBHIALSA-N 325.452 4.592 0 40 EJAB Fc1cccc(Cc2cnc([C@@H]3CCN(C4CCCCC4)C3)o2)c1 257334441 YFWOBTUMVPBXAC-MRXNPFEDSA-N 328.431 4.527 0 40 EJAB Cc1nnc(SCc2cccc(F)c2)n1-c1ccc(Cl)cc1 409087059 IRPOHWXIEZGVAA-UHFFFAOYSA-N 333.819 4.661 0 40 EJAB Oc1ccc(C(=S)N2CCC(Cc3ccccc3)CC2)cc1Cl 409231822 MPULAPGEKMAKBS-UHFFFAOYSA-N 345.895 4.676 0 40 EJAB C[C@@H]1CCN(C(=O)c2ccn(C3CCCCC3)n2)CC12CCCCC2 622514362 RNGHFKLMEHCKSY-QGZVFWFLSA-N 343.515 4.821 0 40 EJAB Cc1ccc(C(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)c(C)c1 557875 JPOCNZCPIYTVNZ-UHFFFAOYSA-N 343.386 4.759 0 40 EJAB CCCCOc1ccc(C(=O)Nc2ccc(Br)cc2)cc1 4672219 PMRHWGLAIHYZPU-UHFFFAOYSA-N 348.240 4.880 0 40 EJAB CCc1cccc(C)c1Nc1c(-c2ccc(O)cc2)nc2cnccn12 4733461 QDYYBFPOOWQNHP-UHFFFAOYSA-N 344.418 4.716 0 40 EJAB Cc1cc(C(F)(F)F)c2c(C)nn(-c3ccc(Cl)cc3)c2n1 4743564 MYPBOKQMCUKTRF-UHFFFAOYSA-N 325.721 4.710 0 40 EJAB CCCC[C@H](CC)C(=O)Oc1ccc(C(=O)c2ccccc2)c(O)c1 5554250 ZCVNWLRGTCLNIG-HNNXBMFYSA-N 340.419 4.745 0 40 EJAB Cc1[nH]c2ccc(C(=O)Nc3cccc(Br)c3)cc2c1C 6670001 WWOCJAUJRMHXOP-UHFFFAOYSA-N 343.224 4.800 0 40 EJAB Cc1cccc(C)c1-n1c(SCC(C)C)nc2ccccc2c1=O 6787629 PVKQHTVAMZOJGO-UHFFFAOYSA-N 338.476 4.751 0 40 EJAB CC[C@H](O)c1nc2ccccc2n1CCCOc1cc(C)ccc1C 7548905 UKCQDXJQKRLTPV-IBGZPJMESA-N 338.451 4.566 0 40 EJAB COc1ccc(Cl)cc1-c1nnc(SCc2ccccc2)o1 7605043 AOYDTMMTEYWJKU-UHFFFAOYSA-N 332.812 4.691 0 40 EJAB CSc1ccc(CN(C)C(=O)c2cc3ccccc3cc2O)cc1 7985927 RJFCGZHGKSTTDP-UHFFFAOYSA-N 337.444 4.540 0 40 EJAB CCOc1ccc(NC(=O)c2c(C)oc3ccc(OCC)cc23)cc1 11866460 VWIWPCDNSKZRDE-UHFFFAOYSA-N 339.391 4.791 0 40 EJAB biogenic CC(C)c1ccc(O[C@@H](C(=O)O)c2ccccc2)c(Br)c1 11962101 IGSBLCRDMUDWBG-MRXNPFEDSA-N 349.224 4.777 0 40 EJAB Cc1c(C(=O)Nc2ccnn2C2CCCCC2)oc2ccc(F)cc12 12756691 OOLRFLVUJJJBGE-UHFFFAOYSA-N 341.386 4.834 0 40 EJAB C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1nc(-c2ccccc2)no1 13495462 FCVHUCZQFDHXRT-AWEZNQCLSA-N 349.434 4.525 0 40 EJAB COc1ccc2c(c1C)CCC1=C2CC[C@]2(C)C1=CC[C@@H]2OC(C)=O 16249928 QDTQZEGNQUSCPP-FCHUYYIVSA-N 338.447 4.765 0 40 EJAB CC[C@@H](Oc1ccccc1[C@H](C)CC)C(=O)Nc1cc(N)ccc1F 19736797 QOMYZJZKWZAJTE-FZKQIMNGSA-N 344.430 4.718 0 40 EJAB O=C(CCOc1ccccc1-c1ccccc1)NCc1ccccc1F 24845782 YTBMABJLTPXXJF-UHFFFAOYSA-N 349.405 4.578 0 40 EJAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(F)c(Cl)c1 30755667 TVYJPJWARDRFHS-MRXNPFEDSA-N 335.806 4.892 0 40 EJAB O=Cc1cc2ccccc2c(-c2c(O)c(C=O)cc3ccccc23)c1O 34620877 DENRDANQMQOFEU-UHFFFAOYSA-N 342.350 4.696 0 40 EJAB COc1ccc(C2(CNC(=O)c3cc4ccccc4o3)CCCC2)cc1 38593550 FMSNTSXRVMNWHT-UHFFFAOYSA-N 349.430 4.683 0 40 EJAB CN(C)c1ccc(C(F)(F)F)cc1NCc1csc(C2CC2)n1 83854368 BJDSYEXDWRYVBI-UHFFFAOYSA-N 341.402 4.717 0 40 EJAB FC(F)(F)c1ccc(CN2CCC(Cc3cccnc3)CC2)cc1 95983404 ZODRFNDLEBXBNI-UHFFFAOYSA-N 334.385 4.555 0 40 EJAB CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)COc2cccc3ccccc23)C1 100987533 XVEVHEMDUBNXEZ-VGSWGCGISA-N 337.463 4.646 0 40 EJAB CC[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1)c1ccc(C)cc1 113943591 XTDCNRBECPGJOS-KBXCAEBGSA-N 331.843 4.683 0 40 EJAB CCOc1cccc(NC(=O)[C@@H](CC)Oc2ccc(Cl)cc2)c1 113956156 BKEOZMUENKFKSV-QGZVFWFLSA-N 333.815 4.535 0 40 EJAB CSc1ccccc1C(=O)N1CCS[C@@H](c2cccs2)CC1 219494958 ZBLVATHRIYIBSZ-MRXNPFEDSA-N 349.546 4.790 0 40 EJAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(F)cc1 222934344 DYPFHJFBURPBCZ-IBGZPJMESA-N 343.442 4.597 0 40 EJAB CC[C@@H](NC(=O)Cc1ccccc1F)c1ccc2c(c1)CCCC2 223142295 VCLQBPFELVZUOT-HXUWFJFHSA-N 325.427 4.515 0 40 EJAB Cc1ccc2c(c1)[C@@H](NC(=S)Nc1ccccc1F)CC(C)(C)O2 225673399 PZQYVCSHVJTQDA-INIZCTEOSA-N 344.455 4.723 0 40 EJAB CCO[C@@]1(C(=O)Nc2ccc(OC)c3ccccc23)CCC[C@H](C)C1 225833587 OLKUDVASGNLXNU-BTYIYWSLSA-N 341.451 4.772 0 40 EJAB O=C(NCCC1=CCCCC1)c1ccc(Oc2nccs2)cc1 238842457 HXJDNUGRRITHCB-UHFFFAOYSA-N 328.437 4.556 0 40 EJAB O=C1S/C(=C/c2cccn2-c2ccccc2)C(=O)N1c1ccccc1 408903188 VIXNPTSISRNXGH-NBVRZTHBSA-N 346.411 4.718 0 40 EJAB CCCCCOc1ccc(/C=C2\N=C(c3cccc(C)c3)OC2=O)cc1 408974771 DUHGPZJRMXLCFF-HKWRFOASSA-N 349.430 4.909 0 40 EJAB CC(C)(C)C[C@@H]1CCN(C(=O)c2ccnn2C2CCCC2)C1(C)C 622709962 RUQVCLADOCRGPV-HNNXBMFYSA-N 331.504 4.675 0 40 EJAB Clc1ccc(COc2ccccc2CNCc2cccnc2)cc1 119163 HQYYPEABZCQIEL-UHFFFAOYSA-N 338.838 4.604 0 40 EJAB CCSc1nc2ccc(NC(=O)c3ccccc3OC)cc2s1 532809 KXFVJUWXWWKINP-UHFFFAOYSA-N 344.461 4.669 0 40 EJAB CC(C)(C)c1ccc(-c2noc(CCC(=O)Nc3ccccc3)n2)cc1 2395477 LQGNLOBMLRZUOM-UHFFFAOYSA-N 349.434 4.605 0 40 EJAB CC[C@@H](C)c1ccc(NC(=O)CSc2nc(C)c(C)c(C)n2)cc1 2625884 XUZFXVSFWBUQTI-GFCCVEGCSA-N 343.496 4.646 0 40 EJAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccccc1Cl 2765988 GAQKOHPQVIGYBF-CQSZACIVSA-N 345.870 4.721 0 40 EJAB Cc1ccc(NC(=O)Cc2nc(-c3cc(F)ccc3F)cs2)cc1 3358218 VXAVGWDZVZRIKY-UHFFFAOYSA-N 344.386 4.578 0 40 EJAB CCc1cccc2c(C(=O)C(F)(F)F)cn(Cc3ccccc3)c12 3634655 CCJLCRJJUKYQKP-UHFFFAOYSA-N 331.337 4.997 0 40 EJAB CCCc1cc(Nc2ccc(F)cc2)n2nc3nc(C)cc(C)c3c2n1 5350615 CZMVSHVVWPBUCX-UHFFFAOYSA-N 349.413 4.730 0 40 EJAB CC(C)c1ccccc1NC(=S)NCCc1c[nH]c2ccccc12 6541237 JUXVHUTYHSXSTR-UHFFFAOYSA-N 337.492 4.820 0 40 EJAB Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccc(F)c(Cl)c1 8122676 AVAMOQQFHRQUKJ-UHFFFAOYSA-N 347.802 4.558 0 40 EJAB CCc1cccc(C)c1NC(=O)Cc1csc(-c2cccs2)n1 8129858 RPWINYHJYLMYRG-UHFFFAOYSA-N 342.489 4.924 0 40 EJAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1cccc(OC(C)C)c1 8481251 HZALQSZLSVEWFQ-LJQANCHMSA-N 327.424 4.578 0 40 EJAB Cc1cc(Cl)ccc1OCc1n[nH]c(-c2ccc(Cl)cc2)n1 9871262 MNSZAFQFKQHHFZ-UHFFFAOYSA-N 334.206 4.666 0 40 EJAB Cc1cccc(C(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)c1 10542707 MSXOKAVSNWSDOO-UHFFFAOYSA-N 349.405 4.643 0 40 EJAB Cc1cccc(C(=O)N2CCc3sccc3[C@@H]2c2cccs2)c1 12808847 ZTRQRAYXJIHCFH-GOSISDBHSA-N 339.485 4.906 0 40 EJAB O=C(Nc1ccccc1F)N[C@@H](c1ccccc1)c1cccs1 13000534 AMNDTQBWKNBMQV-KRWDZBQOSA-N 326.396 4.798 0 40 EJAB C[C@@H](Oc1cccc2ccccc12)C(=O)NC12CC3CC(CC(C3)C1)C2 13709418 HGDPJTUHNJWRBU-LRYXAPPNSA-N 349.474 4.692 0 40 EJAB CCOc1cc2ccccc2cc1C(=O)N[C@@H]1CCc2ccccc21 14683114 VEOQGDCYVGXFMK-HXUWFJFHSA-N 331.415 4.656 0 40 EJAB O=C(Nc1ccccc1)c1ccccc1OC[C@@H]1CC1(Cl)Cl 14858067 KXMOXPCQIQDYLG-LBPRGKRZSA-N 336.218 4.512 0 40 EJAB COc1ccccc1C(=O)N[C@H](c1ccccc1)c1ccccc1C 20452180 KITVBVATIAGUQQ-OAQYLSRUSA-N 331.415 4.523 0 40 EJAB O=C(CSc1ncnc2ccsc12)c1ccc2c(c1)CCCC2 22004973 KAMNSHFTFVXVHW-UHFFFAOYSA-N 340.473 4.545 0 40 EJAB CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)c1C 32750232 MRFVVAAUQTXQPS-UHFFFAOYSA-N 344.414 4.658 0 40 EJAB CC(=O)Nc1ccc(OC(=O)c2sccc2-c2ccccc2)cc1 32988071 HFXMIVKSNXEDIA-UHFFFAOYSA-N 337.400 4.593 0 40 EJAB Cc1cc(C)c(NC(=O)c2cc(F)cc(Br)c2)c(C)c1 40128146 BDKIVNQGHRNBGY-UHFFFAOYSA-N 336.204 4.766 0 40 EJAB CCCCC(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 54256632 MMCOVDVXHOUKRR-UHFFFAOYSA-N 330.815 4.721 0 40 EJAB C[C@@H](CCc1ccco1)Nc1nc(-c2ccncc2)nc2ccccc12 65504619 QEUPLOLVRVUVNA-HNNXBMFYSA-N 344.418 4.718 0 40 EJAB Cc1ccc(CCC(=O)NCc2cccc(C(F)(F)F)c2)cc1C 96621628 RNIPEKSLILYWEB-UHFFFAOYSA-N 335.369 4.571 0 40 EJAB Cc1ccc(C(=O)N2N=C(c3ccco3)C[C@H]2c2ccccc2)cc1 97165240 UQXWJAQHRYZZDO-IBGZPJMESA-N 330.387 4.580 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)cc1 113969030 DJVUAKVKLSMEBD-HUUCEWRRSA-N 331.843 4.602 0 40 EJAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1cccc2ccccc12 216390321 OKARQGHTPAUCLI-FQEVSTJZSA-N 335.403 4.645 0 40 EJAB CCSc1ccccc1C(=O)NCCSCc1ccccc1F 219646487 QAHZODLBFMYLPL-UHFFFAOYSA-N 349.496 4.601 0 40 EJAB C[C@@H](SCc1ccccc1)C(=O)NCc1ccc2ccccc2c1 222749175 WQCWJBSEHRZVBE-MRXNPFEDSA-N 335.472 4.778 0 40 EJAB Cc1ccc(C[C@H](Oc2ccccc2C(C)C)C(=O)O)cc1Cl 225080234 OZMJPDOPLJRTCX-SFHVURJKSA-N 332.827 4.847 0 40 EJAB CCc1cc(Br)cc(C)c1NC(=O)c1cccc(F)c1 226097573 AXISMVBDVHWFKH-UHFFFAOYSA-N 336.204 4.711 0 40 EJAB Cc1cc(SCc2ccc(Cl)cc2)nc(-c2ccccn2)n1 520245062 KAMNPMXPZLAHJJ-UHFFFAOYSA-N 327.840 4.793 0 40 EJAB COC(=O)c1ccc(N[C@H](C(=O)c2ccccc2)c2ccccc2)cc1 151238 MSCBFOLLGARCIR-FQEVSTJZSA-N 345.398 4.509 0 40 EJAB Clc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)n3ncnc3N2)cc1 407821 WNVAJAMIIYZLMR-HZPDHXFCSA-N 345.233 4.731 0 40 EJAB CC(=O)Oc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1570823 KYAFWYJCFMCDQI-UHFFFAOYSA-N 348.398 4.770 0 40 EJAB CSC(=S)C[C@H](O)[C@H]1CC2c3ccccc3C1c1ccccc12 1856347 HBXQKYHUVCXNNU-NNVNDSJASA-N 340.513 4.725 0 40 EJAB CCCCNc1ncnc2c1sc1nc(C)c3c(c12)CCCC3 2275336 BPLRLYVQYJVLLM-UHFFFAOYSA-N 326.469 4.639 0 40 EJAB CCCOc1ccc(C(=O)Nc2ccc(CC)cc2)cc1OCC 6415424 OGPCEOCDGZOUJF-UHFFFAOYSA-N 327.424 4.689 0 40 EJAB CCOC(=O)c1ccc(-c2ccc(CNCc3ccc(C)cc3)o2)cc1 7538201 OBFJBPORPLRVRF-UHFFFAOYSA-N 349.430 4.722 0 40 EJAB O=C(c1ccc(F)cc1)N1CCc2sccc2[C@H]1c1cccs1 7946933 ZPOSJTCMYFFCFI-KRWDZBQOSA-N 343.448 4.737 0 40 EJAB O=C(CCc1ccc(-c2ccccc2)o1)N1CC[C@@H]2CCCC[C@H]2C1 7980270 LZIRJKRXAAUVDB-HKUYNNGSSA-N 337.463 4.918 0 40 EJAB C[C@@H](CNC(=O)c1ccc(C2SCCS2)cc1)c1ccccc1 8167692 VKGSMQLBNZUURS-AWEZNQCLSA-N 343.517 4.699 0 40 EJAB C[C@H](NC(=O)c1ccccc1C(F)(F)F)c1cc2ccccc2o1 12976985 OLINZXNMAGPZAB-NSHDSACASA-N 333.309 4.943 0 40 EJAB Cc1nc(-c2cc(C(=O)Nc3ccc(C)c(Cl)c3)n(C)c2)cs1 16200095 DTUYETXULHQOBU-UHFFFAOYSA-N 345.855 4.671 0 40 EJAB CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccc(-c3nccs3)cc2)C1(C)C 24541681 JLINGDSVELYWNQ-HOTGVXAUSA-N 326.465 4.987 0 40 EJAB O=C(Nc1cccc(OC2CCCC2)c1)c1ccccc1OC(F)F 29070299 UOWADGNJVSZBOE-UHFFFAOYSA-N 347.361 4.862 0 40 EJAB C[C@H](NC(=O)c1csc(-c2ccco2)n1)c1cc2ccccc2o1 29543851 SRTXOBPPUCKDLB-NSHDSACASA-N 338.388 4.640 0 40 EJAB O=C(CC1CCCCC1)N1CCC[C@H](c2nc3ccccc3o2)C1 31129237 WZSXILNREQIKBK-INIZCTEOSA-N 326.440 4.504 0 40 EJAB O=C(Nc1ccc2ccccc2c1)C1(c2ccccc2)CCOCC1 32644476 LINGCCAPFVRSEU-UHFFFAOYSA-N 331.415 4.527 0 40 EJAB CCOC(=O)c1cccc(Nc2ccnc3c(Cl)cccc23)c1 34925928 SVGPBRWIVDAWCD-UHFFFAOYSA-N 326.783 4.809 0 40 EJAB O=C(c1cnc(-c2ccccc2)s1)N1CCC[C@@H]1c1ccsc1 40110550 WTLGBJPUYTWODB-OAHLLOKOSA-N 340.473 4.849 0 40 EJAB O=C(c1ccc(-c2ccccc2)cc1)N(Cc1ccncc1)C1CC1 50822030 STFGBHQULRLIII-UHFFFAOYSA-N 328.415 4.553 0 40 EJAB CCc1ccc([C@H](C)NC(=O)c2ccc(Br)cc2)cc1 70134354 YILVFQQPZNZZPT-LBPRGKRZSA-N 332.241 4.503 0 40 EJAB CCc1cccc(NC(=S)N2c3ccc(F)cc3CC[C@@H]2C)c1 72332213 PYLIPUIFSUMZTJ-ZDUSSCGKSA-N 328.456 4.926 0 40 EJAB Clc1ccc(C2=C[C@H](c3cccs3)n3ncnc3N2)c(Cl)c1 101254700 RNPPAFOFQAFYCF-CYBMUJFWSA-N 349.246 4.702 0 40 EJAB CC[C@@H](Oc1ccc(C)cc1)C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 223227681 SCHWGUJJYQKXLD-HRAATJIYSA-N 337.463 4.519 0 40 EJAB Cc1cc(C)c([C@H](C)NC(=O)[C@@H](C)Sc2ccccc2)cc1C 223398874 GILYBSYTNGBYSJ-DLBZAZTESA-N 327.493 4.970 0 40 EJAB CCOc1ccc(C(=O)Nc2ccccc2CC)cc1COC(C)C 224715066 RIXWZMFJNSUVIN-UHFFFAOYSA-N 341.451 4.825 0 40 EJAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc2c(c1)CCCC2 224896990 OHFXSHGTJWPYCG-UHFFFAOYSA-N 335.325 4.716 0 40 EJAB Cc1cccc(OCCNC(=O)[C@H](C)Cc2cccc3ccccc23)c1 224941562 SNIMHDBEFFCPQP-GOSISDBHSA-N 347.458 4.522 0 40 EJAB C[C@H](NC(=O)CCc1ccc(F)cc1)c1ccc(C(C)(C)C)cc1 225054168 JGSGSPYGBJTAJM-HNNXBMFYSA-N 327.443 4.933 0 40 EJAB Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc3c(c1)CCCC3)CC(C)(C)O2 225632979 CFQKVOZLMUYNLY-FQEVSTJZSA-N 349.474 4.906 0 40 EJAB Cc1ccnc(NC(=S)N[C@@H](c2ccc(C)cc2C)C(C)C)c1 225766470 ZMCURNBCHAHRAE-GOSISDBHSA-N 327.497 4.691 0 40 EJAB Cc1ccc(-c2nc3cc(N4Cc5ccccc5C4=O)ccc3o2)cc1 226286070 VEWBTOMWEBOSDK-UHFFFAOYSA-N 340.382 4.964 0 40 EJAB Cc1ccnc(Nc2ccc(Br)cc2Br)c1 228952751 GXBPANNSLHJKFU-UHFFFAOYSA-N 342.034 4.659 0 40 EJAB C[C@H](Nc1ncnc2[nH]ccc12)c1ccc(Oc2ccccc2)cc1 1611909161 WZFUNUBOGKEOND-AWEZNQCLSA-N 330.391 4.923 0 40 EJAB O=C(/C=C/c1ccccc1)Nc1ncc(Cc2ccc(F)cc2)s1 272065 JPIZOXFITUYFPW-DHZHZOJOSA-N 338.407 4.525 0 40 EJAB Cc1ccc(C(=O)c2sc3nc4ccc(C)cc4cc3c2N)cc1 422160 VSJCWOOJPMPXLA-UHFFFAOYSA-N 332.428 4.880 0 40 EJAB Cc1ccc2c(c1)-c1nc(SCC(=O)C(C)(C)C)ncc1CS2 1403616 MLGPYZSMZXUHQZ-UHFFFAOYSA-N 344.505 4.765 0 40 EJAB Cc1nc(SCc2ccccc2)nc2c1CCN2c1ccccc1 4052020 ITQYHTPAVRVWSN-UHFFFAOYSA-N 333.460 4.772 0 40 EJAB COc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@]2(C)[C@H]1CC[C@@]2(C)N(C)C 4900232 IXZPZMBLHXZOLG-CDJZJNNCSA-N 327.512 4.872 0 40 EJAB COc1ccc(/C=C(\Cl)c2nc(-c3ccsc3)no2)cc1OC 7333504 SDCWQXQBHOATHQ-GHXNOFRVSA-N 348.811 4.552 0 40 EJAB CCN(CC)C(=O)c1ccc(NC(=O)c2cccc3ccccc23)cc1 7408474 KYTUHYQSHMEQAV-UHFFFAOYSA-N 346.430 4.574 0 40 EJAB C[C@H](N[C@H](C)c1nnc(-c2cccs2)o1)c1ccc(Cl)cc1 7919226 ZLESPCJLMTWWOW-WDEREUQCSA-N 333.844 4.863 0 40 EJAB Cc1cccc(C(=O)N2CCc3sccc3[C@H]2c2ccccc2)c1 8115198 IWTYHRULZKDDRU-HXUWFJFHSA-N 333.456 4.844 0 40 EJAB CSCc1ccc(C(=O)N[C@@H](C)c2cc3ccccc3o2)cc1 8239324 XNEYKJKMUHOIRB-ZDUSSCGKSA-N 325.433 4.787 0 40 EJAB C[C@@H](CNC(=O)c1cc(C2CC2)nc2ccccc12)c1ccccc1 9377241 BNUUYMLZLWHFNP-HNNXBMFYSA-N 330.431 4.646 0 40 EJAB Cc1nc(-c2cccc(NC(=O)Cc3c[nH]c4ccccc34)c2)cs1 9516029 CXISLIKCORKPOG-UHFFFAOYSA-N 347.443 4.781 0 40 EJAB Cc1ccc(C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cc1C 11071972 JBZYLAHNVPOLHQ-UHFFFAOYSA-N 330.431 4.714 0 40 EJAB COc1ccccc1Oc1ccc(NC(=O)c2ccc(Cl)o2)cc1 13006490 TYVZEWYUVJPALB-UHFFFAOYSA-N 343.766 4.986 0 40 EJAB CC[C@@H](Nc1ccc(OC)cc1)c1cc2cc(C)c(C)cc2[nH]c1=O 13564256 DPFLKOPXIDJVIP-LJQANCHMSA-N 336.435 4.717 0 40 EJAB Cc1ccc(SCCNC(=O)CCSCc2ccccc2)cc1 13687928 FRIBGRFHBRLNHZ-UHFFFAOYSA-N 345.533 4.527 0 40 EJAB O=C1S/C(=C/c2ccccc2)C(=O)N1Cc1ccccc1Cl 15019167 OMWAXQZAOQYEMU-XNTDXEJSSA-N 329.808 4.577 0 40 EJAB Cc1nc(-c2ccccc2)c(C(=O)N2CCCc3ccccc32)s1 15576738 FXUGWNMAKMWFMT-UHFFFAOYSA-N 334.444 4.712 0 40 EJAB CCCCc1ccc(NC(=O)C2=Cc3cc(OC)ccc3OC=C2)cc1 15838812 QOZNXTOJTZUIDM-UHFFFAOYSA-N 349.430 4.966 0 40 EJAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1cc(Cl)ccc1OC 20038537 LPNCEABYUJIOBL-INIZCTEOSA-N 347.842 4.762 0 40 EJAB CCOc1ccc(CCC(=O)Nc2ccc(C)cc2C)cc1OCC 20046057 JTUUHQJGMXYIRQ-UHFFFAOYSA-N 341.451 4.672 0 40 EJAB CC(C)(C)[C@H]1CCc2nc(NC(=O)c3ccccc3F)sc2C1 20897463 QSKJSDBKKUEVGR-NSHDSACASA-N 332.444 4.686 0 40 EJAB CCCCC[C@@H](C)NC(=O)c1cccc(OCc2c(C)noc2C)c1 20935770 OQUVFHPKZACGES-CQSZACIVSA-N 344.455 4.569 0 40 EJAB COCc1cccc(NC(=O)c2ccccc2OCc2ccccc2)c1 30954805 GUEYWBYEIGEZST-UHFFFAOYSA-N 347.414 4.664 0 40 EJAB CN(C(=O)c1[nH]c2ccccc2c1Br)C1CCCCCC1 58412963 SAPJOZSZLWXXFB-UHFFFAOYSA-N 349.272 4.725 0 40 EJAB CN(CC(=O)Nc1ccc2c(c1)oc1ccccc12)Cc1ccccc1 65474492 ICFWTKBWKFXSSU-UHFFFAOYSA-N 344.414 4.657 0 40 EJAB Cc1cc(-n2cnnc2)cc2nc(-c3cccc4ccccc34)oc12 73639410 NRIVDNLGOPFTDE-UHFFFAOYSA-N 326.359 4.537 0 40 EJAB Cc1csc(C2(NC(=O)Nc3ccc(C(C)(C)C)cc3)CCC2)n1 75094172 YLVYCIDVVYPDBD-UHFFFAOYSA-N 343.496 4.950 0 40 EJAB Cc1ccccc1CN1CCC(COCc2ccc(F)cc2)CC1 75156568 KGLDNMSXBMKJNL-UHFFFAOYSA-N 327.443 4.563 0 40 EJAB C[C@@H](c1ccc(Cl)cc1)S(=O)(=O)[C@H](C)c1ccc(F)c(F)c1 77647159 IQUCZNQNJVLTMM-WDEREUQCSA-N 344.810 4.855 0 40 EJAB CN(C(=O)c1cc(C(C)(C)C)n[nH]1)c1ccc(Oc2ccccc2)cc1 84241095 ORPDPVSDIMFWRM-UHFFFAOYSA-N 349.434 4.776 0 40 EJAB O=C(/C=C/c1ccsc1)N(Cc1ccoc1)Cc1cccs1 90612176 DLSYACWCSCWCQO-ONEGZZNKSA-N 329.446 4.645 0 40 EJAB Cc1cccc([C@H]2CC(c3ccco3)=NN2C(=O)c2ccccc2)c1 96118929 VFZDFDNHJSJFCY-LJQANCHMSA-N 330.387 4.580 0 40 EJAB O=C(O)[C@@H](Cc1cc(Cl)cc(Cl)c1)Sc1ccccc1 225091988 YBYSYCALUWIPLC-CQSZACIVSA-N 327.232 4.781 0 40 EJAB COc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cc1 225547090 FHBLNFNAJWEOFZ-UHFFFAOYSA-N 327.399 4.675 0 40 EJAB CCOc1ccccc1NC(=O)CO[C@@H]1C[C@@H](C)CC[C@H]1C(C)C 245236970 AECQSHHHODSJDE-TXPKVOOTSA-N 333.472 4.501 0 40 EJAB O=C(CSCc1cccc(Cl)c1)NC1CCCCCCC1 408574977 NMOVCNZXHCSHGK-UHFFFAOYSA-N 325.905 4.802 0 40 EJAB CCCCN1C(=O)S/C(=C\c2c[nH]c3c(CC)cccc23)C1=O 409130749 UPOYFZFSTZNNDI-GDNBJRDFSA-N 328.437 4.567 0 40 EJAB FC(F)(F)Oc1ccc(Br)c2nccc(Cl)c12 1848350475 KGAMCFULQVTLRV-UHFFFAOYSA-N 326.499 4.549 0 40 EJAB CCOc1ccccc1N1C(=O)CS[C@H]1c1ccc(Cl)cc1 31857 VUUYCWHPKYSZNU-KRWDZBQOSA-N 333.840 4.517 0 40 EJAB O=C(Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1)c1cccnc1 271317 MPMPHJHUUUAWSA-UHFFFAOYSA-N 349.777 4.796 0 40 EJAB CC1(C)Cc2c(sc3nc(-c4ccccc4)nc(Cl)c23)CO1 519992 OUSJVUHXTXROCQ-UHFFFAOYSA-N 330.840 4.863 0 40 EJAB CC(=O)Nc1cc2c(cc1Cl)-c1cc(Cl)c(Cl)cc1C2=O 1596415 SAGAYAMBXWAEAL-UHFFFAOYSA-N 340.593 4.817 0 40 EJAB c1ccc(OCCSc2ncnc3sc4c(c23)CCCC4)cc1 1807251 VTUILEIQEBHGAI-UHFFFAOYSA-N 342.489 4.741 0 40 EJAB O=C(c1cccc(CN2CCCCC2)c1)c1ccc(Cl)c(F)c1 2515018 PQDSQEOVXVKKAJ-UHFFFAOYSA-N 331.818 4.696 0 40 EJAB Cc1ccc(-c2nc(C)sc2CC(=O)N2CCc3ccccc32)cc1 2633162 FUPBHBDTCKTADZ-UHFFFAOYSA-N 348.471 4.559 0 40 EJAB CCOc1cccc2sc(NC(=O)c3ccccc3Cl)nc12 4031677 OUBXXIQVPWYHAR-UHFFFAOYSA-N 332.812 4.601 0 40 EJAB C[C@H]1CC[C@@](C)(C(=O)CCOC(=S)Nc2ccccc2)C1(C)C 4235366 DAMDHESDQQVJRM-LIRRHRJNSA-N 333.497 4.822 0 40 EJAB biogenic Cc1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)c(O)c1 4666594 DXFBMVMPPIQBOA-UHFFFAOYSA-N 331.415 4.861 0 40 EJAB CC(=O)c1cccc(Nc2nc(-c3cccnc3)nc3ccccc23)c1 5519902 OKRMIOKQUOUFAU-UHFFFAOYSA-N 340.386 4.638 0 40 EJAB COc1ccccc1OCC(=O)Nc1ccccc1Oc1ccccc1 5965524 YGIBXMHQHSKBIE-UHFFFAOYSA-N 349.386 4.505 0 40 EJAB Cc1ccc(-n2c(CNc3ccc(C)c(Cl)c3)n[nH]c2=S)cc1 6533859 SPISIFIMZSHMPS-UHFFFAOYSA-N 344.871 4.812 0 40 EJAB CN(Cc1ccc(F)cc1)C(=O)c1cccc(OCc2ccccc2)c1 6940368 URIJDJJBECYGSA-UHFFFAOYSA-N 349.405 4.677 0 40 EJAB C[C@H](CCc1ccco1)NC(=O)C1c2ccccc2Oc2ccccc21 7037873 ZJDLAMWODCDKHB-OAHLLOKOSA-N 347.414 4.655 0 40 EJAB COc1ccc(SCC(=O)Nc2cccc(Cl)c2Cl)cc1 7790020 UBOGNAUWWGOQCQ-UHFFFAOYSA-N 342.247 4.733 0 40 EJAB O=C(Nc1ccccc1F)N[C@H]1CCSc2ccc(Cl)cc21 12993031 VFDBLGOBJYOHKC-ZDUSSCGKSA-N 336.819 4.838 0 40 EJAB O=C(Nc1ccc(F)cc1)N[C@@H](c1ccc(F)cc1)c1cccs1 12998290 NCBRZMLHYVKUEP-KRWDZBQOSA-N 344.386 4.937 0 40 EJAB C[C@@H](CCc1ccccc1)NC(=O)[C@H](C)Oc1ccc2ccccc2c1 13708706 XFUXOPMVKPUVEQ-ROUUACIJSA-N 347.458 4.745 0 40 EJAB COc1ccc(C)cc1NC(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 15614894 VGARAIKAAQKOGP-ZDUSSCGKSA-N 348.446 4.862 0 40 EJAB CC(C)Oc1ccc(-c2noc(-c3cc(-c4ccccc4)n[nH]3)n2)cc1 16841734 ZKMDSAXQJCUAPD-UHFFFAOYSA-N 346.390 4.581 0 40 EJAB C[C@@H](NC(=O)c1ccc(OCc2ccccc2)cc1)c1cccs1 17701905 AGSJWCNUABFKST-OAHLLOKOSA-N 337.444 4.818 0 40 EJAB Cc1cc(C)c2nc3c(cc2c1)CN(Cc1ccccc1F)C(=O)O3 19568344 AOAKNZAQBHETHR-UHFFFAOYSA-N 336.366 4.505 0 40 EJAB C[C@@H](SCc1ccccc1)C(=O)N[C@H]1CCCc2ccccc21 20493445 WEIKEJRICRNHPM-BEFAXECRSA-N 325.477 4.502 0 40 EJAB CC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCC1CCCCC1 21524489 IIXGOMBWZOWJBM-HXUWFJFHSA-N 339.483 4.690 0 40 EJAB Cc1ccc(CNC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)cc1F 23174766 QMZDXWPAZGQYPU-AWEZNQCLSA-N 340.398 4.783 0 40 EJAB FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc2c(Cl)cnn12 36610901 WXCBTMIVULHJBI-UHFFFAOYSA-N 332.112 4.722 0 40 EJAB C[C@H]1CCCN(Cc2ccc(C(=O)Nc3ccccc3Cl)cc2)C1 38833792 HICJEOXRMIMZOQ-HNNXBMFYSA-N 342.870 4.824 0 40 EJAB COc1ccc(C(=O)Nc2ccc3[nH]c4ccccc4c3c2)cc1OC 44781717 AGADSWDJHDLAPT-UHFFFAOYSA-N 346.386 4.591 0 40 EJAB c1csc(-c2nnc(SCCCc3nc4ccccc4o3)o2)c1 58003164 NGUHVNUIZPBTMF-UHFFFAOYSA-N 343.433 4.664 0 40 EJAB Fc1ccc(C2(CNc3nc4ccccc4s3)CCOCC2)cc1 65587357 HSJPIVPSOUCEQW-UHFFFAOYSA-N 342.439 4.596 0 40 EJAB CCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2CC(C)C)cn1 72214621 CEANUQKXNJTBEP-KRWDZBQOSA-N 347.503 4.636 0 40 EJAB CCOC(=O)C[C@H](c1ccccc1)c1ccc(Br)cc1 82238002 XXGMGHNYWPBFNH-MRXNPFEDSA-N 333.225 4.534 0 40 EJAB Cc1c(O)c(-c2cc3ccccc3[nH]2)cc2c3c(c(=O)oc12)CCCC3 96343743 VMSULVAIQUECDX-UHFFFAOYSA-N 345.398 4.834 0 40 EJAB Cc1cc(O[C@@H](C)C(=O)NC(C(C)C)C(C)C)cc(C)c1Cl 113942939 SJAHWCMQZQWBNO-AWEZNQCLSA-N 325.880 4.521 0 40 EJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(C)cc1C 222919386 PXHGVDHQEKKOAZ-OAQYLSRUSA-N 337.463 4.978 0 40 EJAB COc1ccc(C(=O)Nc2ccccc2)cc1COc1ccccc1 224084577 DHFYGWJIEIGNMR-UHFFFAOYSA-N 333.387 4.527 0 40 EJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(F)cc1 224194318 FJKFZKJANUBMEP-IBGZPJMESA-N 327.399 4.501 0 40 EJAB O=C(NCCSC1CCCC1)c1ccc(-c2ccccc2)cc1 225534596 KTNPZAAAOODBCZ-UHFFFAOYSA-N 325.477 4.759 0 40 EJAB CCCOc1ccc(NC(=O)[C@@]2(OCC)CCC[C@H](C)C2)cc1C 225717125 AUCIGJVVFDUDKV-MGPUTAFESA-N 333.472 4.708 0 40 EJAB O=C(N[C@H](c1ccsc1)c1cccs1)c1cccc(Cl)c1 390826373 JIXDHCFQHNZUMI-OAHLLOKOSA-N 333.865 4.982 0 40 EJAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1cccc2ccccc12 408706449 VOQFXHZSUYBNPJ-HXUWFJFHSA-N 335.403 4.645 0 40 EJAB CCCc1sc(NC(=O)c2ccccn2)nc1-c1ccc(F)cc1 408821829 KPQULQSJYNBDGJ-UHFFFAOYSA-N 341.411 4.549 0 40 EJAB CC(C)CN1C(=O)/C(=C\c2ccc(O)c(Cl)c2)c2ccccc21 409113269 FDDUAXONHRLIBJ-DHDCSXOGSA-N 327.811 4.589 0 40 EJAB CC[C@@H]1C[C@](C)(c2csc(Nc3ccccc3Cl)n2)OC1=O 330701 KLCFJWHXZMHIJJ-QLJPJBMISA-N 336.844 4.728 0 40 EJAB COc1ccc(-c2nnc(SCc3ccccc3Cl)o2)cc1 411244 WGAGMRFSWAPMCU-UHFFFAOYSA-N 332.812 4.691 0 40 EJAB CCCc1nc2sc3c(Cl)ncnc3c2c2c1COC(C)(C)C2 2458567 AZKOLBUHRCLKIS-UHFFFAOYSA-N 347.871 4.697 0 40 EJAB Cc1ccc(NC(=O)[C@H](C)Sc2nc3ccc(Cl)cc3[nH]2)cc1 3501063 YKURYWRVDBRMPS-NSHDSACASA-N 345.855 4.644 0 40 EJAB Cc1ccc(NC(=O)c2ccccc2C)c(C(=O)c2ccccc2)c1 3896038 FKLJMHHLWDSDJC-UHFFFAOYSA-N 329.399 4.787 0 40 EJAB CCCc1ccc(-c2ccc(-c3noc(-c4ccncc4)n3)cc2)nc1 4663331 NUDNBRAOFIVLSW-UHFFFAOYSA-N 342.402 4.813 0 40 EJAB O=Nc1cc(-c2ccccc2)nc(-c2ccc(Br)cc2)n1 4713598 GOXJNQIDQCDPGZ-UHFFFAOYSA-N 340.180 4.971 0 40 EJAB CC(=O)Nc1ccccc1OC(=O)N(c1ccccc1)c1ccccc1 4950429 OQESEXNVYOQODF-UHFFFAOYSA-N 346.386 4.982 0 40 EJAB Cc1cc(CSc2nnc(-c3cc4c(s3)CC[C@H](C)C4)o2)no1 5320942 CBFKADLGJOMBMF-VIFPVBQESA-N 347.465 4.512 0 40 EJAB Cc1cc(C)cc(NC(=O)c2cc(Br)ccc2Cl)c1 5687991 KMWAAQUDKCLGIP-UHFFFAOYSA-N 338.632 4.972 0 40 EJAB CC(=O)c1ccccc1NC(=O)[C@@H](c1ccc(Cl)cc1)C(C)C 6881760 TUUOTWQKJRWBTM-GOSISDBHSA-N 329.827 4.921 0 40 EJAB O=C(OCc1csc(-c2ccsc2)n1)c1c[nH]c2ccccc12 7855242 CRKHMANZRUCURF-UHFFFAOYSA-N 340.429 4.710 0 40 EJAB c1csc(-c2n[nH]c(SCc3coc(-c4cccs4)n3)n2)c1 8850007 MDUWBPJXAQDBAO-UHFFFAOYSA-N 346.462 4.542 0 40 EJAB Cc1ccc(NC(=O)c2cc(-c3ccccc3)nc3onc(C)c23)cc1 12227245 PEYTXEUPYMJSDX-UHFFFAOYSA-N 343.386 4.759 0 40 EJAB Cc1cc(C)cc(NC(=O)c2c[nH]c(=S)n2-c2ccc(F)cc2)c1 12636119 KGFGYZLLSJCSTM-UHFFFAOYSA-N 341.411 4.543 0 40 EJAB COc1cc(-c2csc(-c3cccs3)n2)cc(OC)c1OC 12756568 YKFZQVAWHMJVTL-UHFFFAOYSA-N 333.434 4.564 0 40 EJAB O=C(/C=C/c1ccc(Cl)cc1)Oc1ccccc1Br 13141625 ISCCCEMWPXNYRL-JXMROGBWSA-N 337.600 4.721 0 40 EJAB O=C(Nc1ccc2ccccc2c1)c1ccc(OC[C@@H]2CCCO2)cc1 13627482 XLRBYPXXOOUSRP-NRFANRHFSA-N 347.414 4.650 0 40 EJAB C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(F)c(F)c1 13708600 IMWFNWYGEOQUQP-LBPRGKRZSA-N 327.330 4.524 0 40 EJAB COc1ccccc1[C@H]1N=C(c2ccccc2)[C@H]2[C@@H](c3ccccc3)N12 19800714 ZYNSVKVRUBHSMG-ICIDBNQLSA-N 340.426 4.622 0 40 EJAB c1coc(CN(Cc2cccs2)c2ncnc3ccsc23)c1 23619531 BGFNSVGRWTUOFM-UHFFFAOYSA-N 327.434 4.553 0 40 EJAB O=C(CCc1c[nH]c2ccccc12)N1CCC[C@@H]1c1ccc(F)cc1 25535013 KDROTUYMCYBIEZ-HXUWFJFHSA-N 336.410 4.603 0 40 EJAB Fc1ccc(SCc2noc(-c3ccc(Cl)cc3)n2)cc1F 29392540 TUHFQXXJBHYBJH-UHFFFAOYSA-N 338.766 4.961 0 40 EJAB Cc1ccc(CCC(=O)N[C@@H](C)c2ccc(F)cc2F)cc1Cl 32847876 UTVWCFPMWCYUEA-LBPRGKRZSA-N 337.797 4.737 0 40 EJAB C[C@H](NC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1)c1ccccc1F 40067841 NTSSBBCWNOHSFQ-STQMWFEESA-N 334.822 4.943 0 40 EJAB COc1ccc2nc(Nc3nc4ccc(C)c(C)c4o3)sc2c1 57352988 XHPDWNDQFORDGZ-UHFFFAOYSA-N 325.393 4.807 0 40 EJAB CCCCc1noc([C@H](C)Sc2nc3ccccc3n2CC)n1 58656282 KXRSCMIGPRAAFC-LBPRGKRZSA-N 330.457 4.635 0 40 EJAB OC1=Nc2c(cnn2Cc2cccs2)[C@@H](c2cccc(Cl)c2)C1 72404417 RGOVQNCCRVKTEZ-CQSZACIVSA-N 343.839 4.770 0 40 EJAB CCc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccc(C)c(C)c2)cc1 78457996 KTRXXPZFYNENKG-SJORKVTESA-N 325.452 4.511 0 40 EJAB C[C@H](NC(=O)N(C)[C@@H]1CCc2ccccc21)c1ccc2c(c1)CCCC2 84651753 LTZHVWHWMAGPDX-KSFYIVLOSA-N 348.490 4.955 0 40 EJAB Cc1ccc(C)c([C@@H](C)NC(=O)c2cccn2Cc2cccs2)c1 95365118 TZMGXFQMZPVZSO-MRXNPFEDSA-N 338.476 4.706 0 40 EJAB COc1ccc([C@H](C)N[C@@H](C)c2cccc(C)c2C)cc1NC(C)=O 95422538 IUMXWCJVOKGQAQ-HOTGVXAUSA-N 340.467 4.682 0 40 EJAB O=C(Nc1cccc(C[S@@](=O)C2CCCCC2)c1)c1ccsc1 96408273 CGNYKVYBCPAVRB-QHCPKHFHSA-N 347.505 4.582 0 40 EJAB Cc1ccc(O[C@@H](C)C(=O)NCc2cccc3ccccc23)cc1C 222877188 AKGXCUPADFMRKS-KRWDZBQOSA-N 333.431 4.540 0 40 EJAB COc1cc(C)c([C@H](C)NC(=O)c2cccc(C)c2)cc1C(C)C 223271398 KUDLEYNXEGCSOP-INIZCTEOSA-N 325.452 4.926 0 40 EJAB CCOc1cccc(NC(=O)CCc2ccc(Cl)c(Cl)c2)c1 225330425 BVWRUNALSCWEIX-UHFFFAOYSA-N 338.234 4.963 0 40 EJAB COc1ccc([C@H](C)NC(=S)Nc2ccc(OC(C)C)cc2)cc1 225466120 COHORXBICWTECQ-AWEZNQCLSA-N 344.480 4.530 0 40 EJAB CCC1(CC)C[C@@H](NC(=O)NC2CCCCC2)c2ccccc2O1 225754134 NPWNRORWXJBXNK-QGZVFWFLSA-N 330.472 4.701 0 40 EJAB CC(C)c1ccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)cc1 260781527 SWAVXGWNCSWPMS-NIKGAXFTSA-N 337.492 4.794 0 40 EJAB COc1ccc(CCC(=O)N2CCCC[C@H]2CSC(C)(C)C)cc1 390830671 MPHGMXAWUHEEDT-KRWDZBQOSA-N 349.540 4.541 0 40 EJAB Cc1nc2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2s1 409190004 PPRILDTUSIABST-UHFFFAOYSA-N 336.338 4.876 0 40 EJAB COc1ccc(-c2[nH]c3ccccc3c2C(F)F)c(OC)c1OC 575628834 BZHSQQZNLVQYIK-UHFFFAOYSA-N 333.334 4.798 0 40 EJAB CCc1nc(CN(C)C(=O)CC2CCC(C(C)(C)C)CC2)cs1 622329239 DNDITUAZFCBVLQ-UHFFFAOYSA-N 336.545 4.907 0 40 EJAB Clc1ccc2nc(CSc3nc4ccccc4s3)cn2c1 81017 DWUQBKINGXYQFJ-UHFFFAOYSA-N 331.853 4.890 0 40 EJAB CCc1ccccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 282026 XILUPFKISHRLCE-NSHDSACASA-N 338.234 4.962 0 40 EJAB O[C@](Cc1cccnc1)(c1ccccc1)c1cccc2ccccc12 1562867 YHVXSUXSVFSZIV-HSZRJFAPSA-N 325.411 4.713 0 40 EJAB CCCc1ccc(OCCCC(=O)N[C@H](C)c2ccccc2)cc1 1787218 HLEPYQGYLCCFQF-QGZVFWFLSA-N 325.452 4.676 0 40 EJAB CCCCNC(=S)Nc1cc2oc3ccccc3c2cc1OC 3231630 XKUOHVYRYABMBC-UHFFFAOYSA-N 328.437 4.681 0 40 EJAB COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccco2)cc1 4142232 SSDAMYPWBSRGJN-WIYYLYMNSA-N 346.386 4.531 0 40 EJAB COc1ccccc1-c1ccc(SCc2ccccc2F)nn1 4356127 WLNGNECPJIWIAF-UHFFFAOYSA-N 326.396 4.584 0 40 EJAB C[C@H](Oc1ccc2c(c1)[nH]c1ccccc12)C(=O)Nc1ccccc1F 5498298 NKYOZGCIIBHXFE-ZDUSSCGKSA-N 348.377 4.866 0 40 EJAB CCOc1ccccc1CNc1ncc(-c2cccc(Cl)c2)n1C 6606043 WORXFQXJHPNUDJ-UHFFFAOYSA-N 341.842 4.751 0 40 EJAB COc1ccc(S[C@@H](C)C(=O)Nc2ccc(F)c(Cl)c2)cc1 7935358 ASDMEUWPVSLMCD-JTQLQIEISA-N 339.819 4.607 0 40 EJAB CCOc1ccc(NC(=O)c2sc(-c3ccccc3)nc2C)cc1 7995938 FMASEJVFEGHZDH-UHFFFAOYSA-N 338.432 4.770 0 40 EJAB C[C@H](CNC(=O)c1ccccc1C(=O)c1cccs1)c1ccccc1 8332750 WOSGMKUAVRJXFA-OAHLLOKOSA-N 349.455 4.513 0 40 EJAB O=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)[C@H]1CC=CCC1 10691234 IGYIAWKLXSLBBW-AZUAARDMSA-N 344.458 4.772 0 40 EJAB O=C(c1cc(Cl)cc(Cl)c1)N(c1ccccn1)c1ccccn1 12488468 UCYNEPWXOSIMOQ-UHFFFAOYSA-N 344.201 4.762 0 40 EJAB COc1ccc([C@H](NC(=O)CCCc2cccs2)C(C)C)cc1 12902914 IUWAUHMFUGEAMH-LJQANCHMSA-N 331.481 4.593 0 40 EJAB c1ccc(-c2nc3sccn3c2CN[C@@H]2CCc3ccccc32)cc1 14280012 MYGXGOGUZUQQIY-GOSISDBHSA-N 345.471 4.840 0 40 EJAB Cc1c(C(=O)Nc2cccc(Cl)c2)oc2c1C(=O)CC(C)(C)C2 16740300 NMDBOKSGYFRBQY-UHFFFAOYSA-N 331.799 4.649 0 40 EJAB O=C(NCCc1c[nH]c2ccccc12)c1cc(Cl)sc1Cl 17295903 DDIBNKPAUDXUGW-UHFFFAOYSA-N 339.247 4.509 0 40 EJAB Cc1cccnc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 18231161 TYGXDVWRIQUAKA-UHFFFAOYSA-N 348.246 4.680 0 40 EJAB O=C(CNc1cccc2ccccc12)c1ccc(Br)cc1 32192644 MXMJWCGQQOBFGO-UHFFFAOYSA-N 340.220 4.897 0 40 EJAB CCN(C(=O)c1csc(-c2ccc(C)o2)n1)c1ccc(F)cc1 32969999 OVJQCAOSAAMCSQ-UHFFFAOYSA-N 330.384 4.517 0 40 EJAB CN(C(=O)/C=C/c1cscn1)c1ccc(Oc2ccccc2)cc1 60267495 NUUIRPMSROEEGB-KPKJPENVSA-N 336.416 4.612 0 40 EJAB Cc1ccccc1-n1nc(C)c(CN(C)c2nc3ccccc3o2)c1C 65587844 HHDFVROMVZGCJL-UHFFFAOYSA-N 346.434 4.575 0 40 EJAB CC(C)N1CCC[C@@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 72359299 MQJAKPTUTFTZPN-OAHLLOKOSA-N 349.400 4.750 0 40 EJAB O=C(c1ccc2ccccc2n1)N(CCc1ccccc1)C1CCCC1 84528662 YYTCIBXDIUWFKU-UHFFFAOYSA-N 344.458 4.862 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)[C@H](C)Sc2nc3ccccc3s2)o1 95447715 YQYHITCCIHLCCY-NEPJUHHUSA-N 346.477 4.556 0 40 EJAB CCc1ccc(NS(=O)(=O)/C=C/c2c(C)cc(C)cc2C)cc1 96137106 PEEQBBXAVUAMPS-ZHACJKMWSA-N 329.465 4.587 0 40 EJAB CC[C@@H](c1ccncc1)N(C)C(=O)Nc1cccc(OC(F)F)c1C 96415884 PPJWEGDXCCJFGP-HNNXBMFYSA-N 349.381 4.606 0 40 EJAB COc1cccc(Cc2csc(Nc3ccc(OC)c(F)c3)n2)c1 211138232 GRGOKJPWKRMENX-UHFFFAOYSA-N 344.411 4.634 0 40 EJAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccc(F)c(F)c2)c1 222562725 VMAJXNCKYPCIPO-CYBMUJFWSA-N 333.378 4.803 0 40 EJAB CC[C@@H](NC(=O)COc1ccccc1C(C)(C)C)c1ccc(C)cc1 222799448 BCLMKDQSJIIGQV-LJQANCHMSA-N 339.479 4.939 0 40 EJAB C[C@@H](NC(=O)/C=C/c1ccc(Cl)cc1)c1ccc2c(c1)CCC2 223151029 WKKYJBUJTWJUKX-WEKMIXOTSA-N 325.839 4.719 0 40 EJAB C[C@H](NC(=O)CCc1ccccc1Cl)c1ccc2c(c1)CCC2 223233664 IQKLSAAKRAOHHD-AWEZNQCLSA-N 327.855 4.639 0 40 EJAB CC(C)(C)c1ccccc1O[C@H](Cc1cccc(Cl)c1)C(=O)O 225058644 AQFJNNQQISHIQF-QGZVFWFLSA-N 332.827 4.712 0 40 EJAB O=C(O)[C@H](Cc1ccc(Cl)cc1)Oc1cccc2ccccc12 225061772 PTWZRIKLHUTYDT-SFHVURJKSA-N 326.779 4.568 0 40 EJAB CC(C)OC(=O)c1cc(N)ccc1Nc1ccc(Cl)c(Cl)c1 225475466 BELZJDFHNDCROG-UHFFFAOYSA-N 339.222 4.884 0 40 EJAB CCO[C@@]1(C(=O)Nc2ccc(OC(C)C)c(C)c2)CCC[C@@H](C)C1 225717194 ZBKOTGBZFFNSQL-QRWLVFNGSA-N 333.472 4.706 0 40 EJAB CCC1(NC(=S)Nc2ccc(Br)c(C)c2)CCCC1 225854199 QXQSJXGHXKECKP-UHFFFAOYSA-N 341.318 4.767 0 40 EJAB COCc1nn2c(-c3ccccc3)cc(C)nc2c1-c1ccccc1 408541620 DOLLIQRWAZZYOY-UHFFFAOYSA-N 329.403 4.518 0 40 EJAB CC(C)Oc1ccc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1 408556383 KDWRQNDBTCWTCG-SFHVURJKSA-N 347.867 4.906 0 40 EJAB O=C(c1ccc(Cl)cc1C(F)(F)F)C(Cl)(Cl)Cl 575360593 GWRQFJGCOAMINN-UHFFFAOYSA-N 325.928 4.912 0 40 EJAB O=C(O)C1CCC(N[C@H](c2ccc(F)cc2)C2CCCCC2)CC1 635319908 OILRXXIUTSEGKR-KVZIAJEVSA-N 333.447 4.680 0 40 EJAB COc1cccc(C)c1NC(=O)N1CCC[C@H]1c1c(C)cccc1C 822975728 JTHPLMZIGYLULM-KRWDZBQOSA-N 338.451 4.989 0 40 EJAB O=C1O[C@H](Nc2ccc(Cl)cc2C(F)(F)F)c2ccccc21 91747 CNCBOMRTSJOVMG-ZDUSSCGKSA-N 327.689 4.640 0 40 EJAB O=C(Oc1ccc2c(=O)c(-c3ccccc3)coc2c1)c1ccccc1 101459 ASIFKZIJDIDMPE-UHFFFAOYSA-N 342.350 4.679 0 40 EJAB biogenic Cc1cc2ccccc2nc1SCC(=O)Nc1ccccc1Cl 416333 AVWFQMGQSBRIDE-UHFFFAOYSA-N 342.851 4.927 0 40 EJAB C[C@@H]1C[C@@H](c2nc(-c3cccc(Br)c3)cs2)CCO1 497077 YNLILRFUBKENFI-PWSUYJOCSA-N 338.270 4.855 0 40 EJAB COc1ccc(/C=C/[C@]23N=C(O)CCN2c2ccccc2C3(C)C)cc1 507905 SZGXFOQLDGGVFH-VKXNWWILSA-N 348.446 4.563 0 40 EJAB O=C1O[C@@H](Nc2nc(-c3ccc(Cl)cc3)cs2)c2ccccc21 552722 CWLNOWHKJXJOHM-OAHLLOKOSA-N 342.807 4.745 0 40 EJAB C[C@@H](O)c1nc2ccccc2n1CCCCOc1ccccc1Cl 1926796 YRNIAPJPOSRNMN-CQSZACIVSA-N 344.842 4.602 0 40 EJAB O=C(CC(c1ccccc1)c1ccccc1)N1CCc2ccccc2C1 2744378 SKBCLLFDNSAZPX-UHFFFAOYSA-N 341.454 4.794 0 40 EJAB CCCCCCN(CCCCCC)C(=O)c1nn(C)c(C)c1Cl 2781325 CMBMZRJGRXCMEP-UHFFFAOYSA-N 341.927 4.985 0 40 EJAB Cc1c(-c2ccccc2)sc2ncnc(Nc3cccc(CO)c3)c12 7186837 KVINSSIOSLFSMC-UHFFFAOYSA-N 347.443 4.903 0 40 EJAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Nc2ccccc2C(C)C)c1C 7370217 NDXSJYWYJMYOSF-AWEZNQCLSA-N 326.440 4.641 0 40 EJAB COc1ccc(C)cc1NCC(=O)Nc1ccccc1-c1ccccc1 7972989 KFHDUIKJEMHWFS-UHFFFAOYSA-N 346.430 4.721 0 40 EJAB Cc1nc(/C=C/C(=O)N[C@H](c2ccc(Cl)cc2)C(C)C)cs1 10857966 KKBYNZACGAFXBC-IJDCCNJMSA-N 334.872 4.632 0 40 EJAB O=C(Oc1ccc2c(Cc3ccccc3)noc2c1)c1ccccc1F 11854253 RAFOTSVZJPZYPG-UHFFFAOYSA-N 347.345 4.777 0 40 EJAB CC[C@@H](C(=O)OCc1cc(-c2cccs2)on1)c1ccccc1 12236729 WCZFNPAVQJCKMD-OAHLLOKOSA-N 327.405 4.640 0 40 EJAB O=C(Cc1cc(-c2ccc(Cl)cc2)on1)NCCC1=CCCCC1 12422175 HCFBMNOPIBKWBJ-UHFFFAOYSA-N 344.842 4.544 0 40 EJAB O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1ccc(Cl)o1 13015502 BUAVWXSSZAVSDR-UHFFFAOYSA-N 340.738 4.587 0 40 EJAB C[C@H](Oc1cc(Cl)ccc1Cl)c1nc(-c2cccnc2)no1 24924109 JANSLYUEUJQEJH-VIFPVBQESA-N 336.178 4.578 0 40 EJAB COc1cc(F)ccc1NC(=O)Cc1coc2ccc3ccccc3c12 25308929 UWLVCXRBFJAGBX-UHFFFAOYSA-N 349.361 4.915 0 40 EJAB Cc1cc(Br)cc(Cl)c1NC(=O)c1ccsc1 40134645 XAFRDIKGELBLIH-UHFFFAOYSA-N 330.634 4.725 0 40 EJAB Cc1nc(Oc2cccc3[nH]ncc23)c2c(CC(C)C)csc2n1 40158224 YZHQRHVTMAOSRJ-UHFFFAOYSA-N 338.436 4.867 0 40 EJAB Cc1c(NC(=O)C2CCCCC2)cccc1-c1nc2ncccc2o1 41107628 DNBLBHFWTYYPRS-UHFFFAOYSA-N 335.407 4.717 0 40 EJAB Cc1ccc(-c2n[nH]c(SCc3cccc4cccnc34)n2)cc1 54154980 FCVHFENCVXXVSK-UHFFFAOYSA-N 332.432 4.621 0 40 EJAB CCN(CC)c1ccc(NC(=O)Nc2ccc(F)cc2F)c(C)c1 57405859 NHVUZEPWSKEZHF-UHFFFAOYSA-N 333.382 4.763 0 40 EJAB Cc1ccccc1N(C(=O)c1ccccn1)c1nc2ccccc2s1 58377735 ROEQXGXCJAJNKV-UHFFFAOYSA-N 345.427 4.978 0 40 EJAB COc1cc(-c2ccccc2)sc1C(=O)Nc1ccc(C)cc1O 58382088 IXMOJSDDGFVOAW-UHFFFAOYSA-N 339.416 4.690 0 40 EJAB c1ccc(Cc2nnc(CN[C@H](c3ccccc3)C3CCCC3)o2)cc1 69628769 NFAYKFJUEKNKRB-JOCHJYFZSA-N 347.462 4.682 0 40 EJAB CCc1ccc([C@@H](C)NC(=O)[C@@H](CC)Oc2cccc(C)c2C)cc1 78458430 ZSMVESNYGVETJV-YLJYHZDGSA-N 339.479 4.901 0 40 EJAB Cc1c(-c2nnc3sc(-c4cccs4)nn23)oc2ccccc12 96194402 HSRQTWLWGXYBSH-UHFFFAOYSA-N 338.417 4.636 0 40 EJAB O=C(CCc1ccccc1Cl)N1CCC(Cc2ccccc2)CC1 96649164 FKVQEPJGPKWSKN-UHFFFAOYSA-N 341.882 4.754 0 40 EJAB C[C@H](N[C@@H](C[C@@H]1CCOC1)c1ccccc1)c1ncc(C(C)(C)C)o1 192758371 YUAZECNHUZQIIG-BQFCYCMXSA-N 342.483 4.791 0 40 EJAB CCc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1 222722167 GOZYSWPCZVRVEZ-KBPBESRZSA-N 331.843 4.547 0 40 EJAB O=C(O)[C@H](Cc1ccc(Cl)cc1)Oc1ccc2ccccc2c1 225061878 MTTIYMJKYFYLFK-SFHVURJKSA-N 326.779 4.568 0 40 EJAB O=C(O)[C@@H](Cc1ccc(Cl)c(Cl)c1)Oc1ccccc1Cl 225087738 SYAOOQTUELMQFC-CQSZACIVSA-N 345.609 4.722 0 40 EJAB CCOC(=O)c1ccc(Nc2ccccc2Oc2ccccc2)c(N)c1 225448014 FHOIPOIKOZCJQW-UHFFFAOYSA-N 348.402 4.981 0 40 EJAB O=C(O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccc(F)cc1)N2 245257673 CDKMKGVNQGCEMV-YDIRCUSSSA-N 337.394 4.820 0 40 EJAB Cc1cccc2sc(NC(=O)c3cccc(C(F)(F)F)c3)nc12 253369 QOAQIJBZLZWHRX-UHFFFAOYSA-N 336.338 4.876 0 40 EJAB CC(C)(C)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 549793 QRJLZVDWLBECPU-OAHLLOKOSA-N 330.815 4.657 0 40 EJAB FC(F)(F)c1cnc2c(-c3cccnc3)nn(-c3ccccc3)c2c1 1401428 BWONVOWDLFORCX-UHFFFAOYSA-N 340.308 4.501 0 40 EJAB Cc1ccccc1NC(=O)c1ccccc1C(=O)Nc1ccccc1C 2753179 FDYIKFBDTQRCNR-UHFFFAOYSA-N 344.414 4.808 0 40 EJAB Fc1ccc(-c2csc3ncnc(NCc4ccncc4)c23)cc1 3349354 IMYWHLCEDHEHAD-UHFFFAOYSA-N 336.395 4.505 0 40 EJAB c1ccc(-c2cnc(CSc3ncnc4sccc34)o2)cc1 3444942 IAAOEYCSJTZNIK-UHFFFAOYSA-N 325.418 4.639 0 40 EJAB COc1ccc(-c2csc(Nc3ccccc3OC)n2)c(OC)c1 4031787 OXFWASNNSZJGAN-UHFFFAOYSA-N 342.420 4.580 0 40 EJAB Cc1nc2c(ccc3nc(NC(=O)c4cccc(F)c4)sc32)s1 4174002 YYWKSBBMSWGGCC-UHFFFAOYSA-N 343.408 4.606 0 40 EJAB CC(C)c1nnc(NC(=O)/C(=C/c2ccccc2)c2ccccc2)s1 4704373 GNMPUIXHESDGKT-GHRIWEEISA-N 349.459 4.841 0 40 EJAB COc1ccc2nc(Nc3nc4ccccc4nc3Cl)sc2c1 4744963 DRPKNAZHEMVWKW-UHFFFAOYSA-N 342.811 4.645 0 40 EJAB Cc1ccccc1CN(C)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 9758077 RLEPAJRORUOAPF-LJQANCHMSA-N 342.870 4.941 0 40 EJAB Cc1ccc(Nc2nc(C)c3c(n2)C[C@H](c2cccs2)CC3=O)cc1 10156624 ADFFMSMASLKBGA-AWEZNQCLSA-N 349.459 4.811 0 40 EJAB O=C(CNc1ccccc1-c1ccccc1)Nc1cc(F)cc(F)c1 11619176 SIZBSVJTDDOPAN-UHFFFAOYSA-N 338.357 4.682 0 40 EJAB Cc1c(Cl)ccc(OCC(=O)Nc2ccc(OC(C)C)cc2)c1C 12138051 IHQQXORNKWHLJB-UHFFFAOYSA-N 347.842 4.762 0 40 EJAB COc1ccc(CN[C@@H](Cc2ccccc2)c2ccccc2)cc1OC 19841292 WNAJNQBJGGAVNR-NRFANRHFSA-N 347.458 4.777 0 40 EJAB Cc1ccc(SCCNC(=O)[C@H](C)SCc2ccccc2)cc1 20238729 CTDPMUBNRLGOHP-INIZCTEOSA-N 345.533 4.525 0 40 EJAB 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325.452 4.728 0 40 EJAB O=C(CSCc1ccc(Cl)c(Cl)c1)N1CCCCCC1 44902953 QKBNOJFSSZBHRU-UHFFFAOYSA-N 332.296 4.629 0 40 EJAB Cc1[nH]c2ccc(C(=O)N(C)Cc3ccc([C@@H]4C[C@@H]4C)o3)cc2c1C 45927537 RRYUPXSQGLEUQE-YVEFUNNKSA-N 336.435 4.773 0 40 EJAB CCc1ccc(O[C@H](CC)C(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1 59351348 RPTOFZBNPSDOQO-DYESRHJHSA-N 339.479 4.901 0 40 EJAB C[C@@H](c1ccccn1)N(Cc1ccc(Br)cc1)C1CC1 95369317 KGQMQRNMKKYVHB-ZDUSSCGKSA-N 331.257 4.570 0 40 EJAB C[C@H](NC(=O)C(c1ccccc1)c1ccccc1)[C@@H]1C[C@@H]2CC[C@@H]1C2 101393671 XBIOQKJAUYGCAY-NLEAXPPASA-N 333.475 4.759 0 40 EJAB CCOc1cc(CNc2ccc(OC)cc2)cc(Cl)c1OCC 106956771 FATDECIZKZODSY-UHFFFAOYSA-N 335.831 4.758 0 40 EJAB O=C(O)/C(=C/c1ccccc1Cl)Sc1nc2ccccc2o1 211502349 ITFDNWBYFWOMEV-ZROIWOOFSA-N 331.780 4.699 0 40 EJAB CCOC(=O)/C=C/c1ccc(OCc2ccc(C)cc2)c(Cl)c1 216888755 BTDLGTSARLGQSD-PKNBQFBNSA-N 330.811 4.804 0 40 EJAB C[C@@H](NC(=O)CSc1ccc(Cl)cc1)c1ccc2c(c1)CCC2 223151574 WISAZORQSVRIAD-CYBMUJFWSA-N 345.895 4.798 0 40 EJAB 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RCTXZUFDNCHXFZ-MRXNPFEDSA-N 333.435 4.567 0 40 EJAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCc1cccc(C)c1 20486485 SYYWDNQHLFVMRU-FQEVSTJZSA-N 333.431 4.622 0 40 EJAB COc1ccc(-n2nc(C3CC3)c3c(C(F)(F)F)cc(C)nc32)cc1 20615451 GCKRVILCCKPMFE-UHFFFAOYSA-N 347.340 4.634 0 40 EJAB Cc1oc(-c2ccccc2Cl)nc1COc1ccc(C=O)cc1 39321183 UXECQNOGHSGREU-UHFFFAOYSA-N 327.767 4.695 0 40 EJAB c1ccc(CNc2nc(N3CCCCCC3)nc3ccccc23)cc1 41151144 LSLOKWKXYUWKBR-UHFFFAOYSA-N 332.451 4.622 0 40 EJAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)N[C@@H](C)CCc2ccccc2)c1 44901633 VGMRHXLPVHXGQT-PKOBYXMFSA-N 339.479 4.517 0 40 EJAB O=C(Cc1ccc2ccccc2c1)N[C@@H](c1ccccc1)C(F)(F)F 59301710 HGLXKXBYVCWSOC-IBGZPJMESA-N 343.348 4.802 0 40 EJAB CCCc1ccc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1 65504771 SHTNPGQTTRYABF-UHFFFAOYSA-N 348.446 4.800 0 40 EJAB c1ccc(-c2cc(CSc3nccn3-c3ccccc3)no2)cc1 84560109 CLXWHIJITXXTDU-UHFFFAOYSA-N 333.416 4.820 0 40 EJAB Cc1ccc(C(=O)N2N=C(c3ccco3)C[C@@H]2c2ccccc2)cc1 97165241 UQXWJAQHRYZZDO-LJQANCHMSA-N 330.387 4.580 0 40 EJAB CCCCNC(=O)OC[C@@]12CO[C@@H](CCC)[C@H](C(C)=C[C@@H]1C)[C@H]2C 100741695 FGCOUMUUNRBVMZ-VBRUWADQSA-N 337.504 4.546 0 40 EJAB COc1cccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@@H]3[C@@H]2[C@H]2CC[C@@H]3C2)c1 169679176 GAHFOJIJYCNZSE-UPZARLHUSA-N 349.430 4.690 0 40 EJAB O=C(O)c1ccc2c(c1)[C@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccccc1F)N2 169702403 YEKIJPBPCQBBIK-HKRPGZNJSA-N 337.394 4.820 0 40 EJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccc(Cl)c3)N21 222643257 ZSUQXRICNMYPEL-DJIMGWMZSA-N 343.883 4.714 0 40 EJAB Cc1cccc(O[C@@H](C)C(=O)NCc2ccc3ccccc3c2)c1C 222795319 IZUZBBZVHDQKOR-KRWDZBQOSA-N 333.431 4.540 0 40 EJAB Cc1cc(C)c(C(=O)NCCOc2ccccc2C(C)(C)C)cc1C 223742029 DAAKYZFZJDALHX-UHFFFAOYSA-N 339.479 4.718 0 40 EJAB COc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1COCC(C)C 224447579 ZGJPFALQUFPBHM-UHFFFAOYSA-N 341.451 4.737 0 40 EJAB Cc1cc(C)c(C[C@H](Oc2cc(C)cc(C)c2C)C(=O)O)c(C)c1 225136975 ZMRDDOHYXCHPKR-FQEVSTJZSA-N 326.436 4.612 0 40 EJAB COc1ccc(CCC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1 225314764 XXMBFHCAPLRGGF-INIZCTEOSA-N 339.479 4.803 0 40 EJAB CCCCc1ccc(Nc2ccc(C(=O)N3CCCC3)cc2N)cc1 225446693 RPWXHBNSUUXWAZ-UHFFFAOYSA-N 337.467 4.591 0 40 EJAB CCCCc1ccc(Nc2ccc(N)cc2C(=O)OC(C)C)cc1 225493191 OBBNYKIMFLPRHI-UHFFFAOYSA-N 326.440 4.920 0 40 EJAB CC[C@@H](C)N1C(=O)S/C(=C/c2cc(C(C)C)c(OC)cc2C)C1=O 409013200 MEYWFAHYUDXFSP-VGSSETLESA-N 347.480 4.962 0 40 EJAB CCc1ccc(-n2c(C)nnc2SCc2ccc(F)cc2)cc1 409101753 XSBSNKYUIHPJNY-UHFFFAOYSA-N 327.428 4.570 0 40 EJAB Cc1csc([C@@H](C)Nc2ccc(-c3cn4c(n3)CCCC4)cc2)n1 623950922 UQXPPSNYANOCGF-CQSZACIVSA-N 338.480 4.824 0 40 EJAB CCSc1ccccc1C(=O)NCCCc1cc2ccccc2o1 669675496 BKSUTGGNOFABQK-UHFFFAOYSA-N 339.460 4.907 0 40 EJAB Cc1ccc(NC(=O)/C(Br)=C/c2ccccc2)cc1C 113741 DRRRGTWWMCSZDS-WJDWOHSUSA-N 330.225 4.678 0 40 EJAB O=C(C[C@@H](O)c1cccn(-c2ccccc2)c1=S)c1ccccc1 344302 QTSKZJJRBDQGJG-LJQANCHMSA-N 335.428 4.513 0 40 EJAB Cc1cc2cc(CNC(=O)c3cc(Cl)ccc3Cl)ccc2[nH]1 4138055 WEBJSUULUCKQRJ-UHFFFAOYSA-N 333.218 4.713 0 40 EJAB COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3C(=O)C[C@@H]21 4165051 URPBIQPJABGDJD-CEWLAPEOSA-N 328.452 4.634 0 40 EJAB biogenic,in-vitro O=C(Nc1ccccc1Br)NC12CC3CC(CC(C3)C1)C2 4717676 YAVHBZRBLWAECZ-UHFFFAOYSA-N 349.272 4.539 0 40 EJAB COc1ccc2oc(C(=O)N[C@@H]3CCCc4ccccc43)c(C)c2c1 5442778 NTSGVDGPBBYLSK-GOSISDBHSA-N 335.403 4.557 0 40 EJAB CCCc1cc(=O)oc2c(C)c3c(cc12)C(=O)CC1(CCCCC1)O3 8992509 AFWVNWJNLDNQOR-UHFFFAOYSA-N 340.419 4.722 0 40 EJAB O=C(c1ccc(Cl)s1)N1CCC[C@H]1c1nc2ccccc2s1 9337745 IDVLWUHANYPYSZ-NSHDSACASA-N 348.880 4.989 0 40 EJAB Cc1cccc(CS[C@H](C)C(=O)NCc2ccccc2Cl)c1 9913145 YYIDVYZTBVEUNM-CQSZACIVSA-N 333.884 4.587 0 40 EJAB COc1ccc(O[C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)cc1 11653956 PUHHZXPUTBNFQU-HNNXBMFYSA-N 327.424 4.533 0 40 EJAB CSc1ccc(-c2csc(-c3ccccn3)n2)cc1NC(C)=O 14103172 IUEKPLVWADEOJY-UHFFFAOYSA-N 341.461 4.552 0 40 EJAB O=C(COc1cccc(Cl)c1)Nc1ccc(SC(F)F)cc1 16018905 GSIVVSDEDXJXSF-UHFFFAOYSA-N 343.782 4.672 0 40 EJAB Cc1cnc(N2C(=O)CS[C@@H]2c2cccc(Cl)c2Cl)s1 17198068 AIPHTRVOWQSLOL-GFCCVEGCSA-N 345.276 4.537 0 40 EJAB Cc1ccc2c(CC(=O)Nc3cccc4cnccc34)coc2c1C 21217199 LFJHOCKJGTUPAP-UHFFFAOYSA-N 330.387 4.779 0 40 EJAB Cc1cccc(C)c1NC(=O)c1cccnc1Nc1ccccc1F 22073118 ABBKPWSLJGWOHD-UHFFFAOYSA-N 335.382 4.833 0 40 EJAB c1ccc2oc(CN3CCC[C@@H](c4nc5ccccc5s4)C3)nc2c1 23989917 ZIZIXFSOLVCOOO-CQSZACIVSA-N 349.459 4.817 0 40 EJAB Cc1c(C(=O)Nc2cc(-c3ccc(F)cc3)no2)oc2ccccc12 27990650 MPOGBZUTRMGISR-UHFFFAOYSA-N 336.322 4.788 0 40 EJAB CCc1oc2ccccc2c1/C=C/C(=O)N(C)Cc1ccsc1 32768914 BMXRAOCYEVSHBZ-CMDGGOBGSA-N 325.433 4.729 0 40 EJAB COc1ccc(-c2csc(NC(=O)/C=C\c3cccs3)n2)cc1 33320551 YEZMYZGXAPPNAJ-HJWRWDBZSA-N 342.445 4.532 0 40 EJAB C[C@H](NC(=O)c1cccc(OCc2cccs2)c1)c1ccccc1 40088740 DWXHVAVLSDAVDR-HNNXBMFYSA-N 337.444 4.818 0 40 EJAB CC1=Nc2c(c(O)nn2C2CCCCC2)[C@@H](c2ccc(O)cc2)S1 71285090 PQDVMMYRHNANKD-MRXNPFEDSA-N 343.452 4.686 0 40 EJAB O=C(c1ccccc1)N1CCC[C@@H]1c1cccnc1NC1CCCCC1 72214025 MERMSEIBXYZREA-HXUWFJFHSA-N 349.478 4.804 0 40 EJAB Cc1cc(N2CCCC2)ncc1[C@H]1CCCCN1Cc1ccccc1 72218887 JBWLFTHCNTYOLO-OAQYLSRUSA-N 335.495 4.717 0 40 EJAB O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1ccncc1F 78072454 HPVSJVHVZJIGJT-UHFFFAOYSA-N 349.390 4.750 0 40 EJAB CC(C)CCNC(=O)C12C[C@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 102062216 JDPAQHCQSBDKIC-HTAFUYNTSA-N 325.496 4.687 0 40 EJAB Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(F)cc2)o1 103013038 FKLZLVMZAXCPPU-RXVVDRJESA-N 348.377 4.969 0 40 EJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(C)cc1 216384405 BAGIVXXWDKZRRB-QGZVFWFLSA-N 333.884 4.836 0 40 EJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCC1=CCCCC1 222663554 CNDUKFGQOGFRDL-OAQYLSRUSA-N 341.495 4.730 0 40 EJAB CSc1cccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)c1 222797254 JEXPPIOLPWGDCK-CQSZACIVSA-N 341.476 4.693 0 40 EJAB O=C(NCCOc1ccc2ccccc2c1)c1ccc2c(c1)CCCC2 223646286 RZHNAQNUYYAFBB-UHFFFAOYSA-N 345.442 4.527 0 40 EJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NC(C)(C)Cc1ccccc1 223842321 PVTAZSRYFOKSJG-SFHVURJKSA-N 345.870 4.635 0 40 EJAB Cc1ccc(OCCNC(=O)CCc2cccc3ccccc23)cc1C 224940327 RAVDLTBWZOKCKJ-UHFFFAOYSA-N 347.458 4.584 0 40 EJAB COC1(C(=O)Nc2ccc(OCC(C)C)c(C)c2)CCC(C)CC1 225641421 RIUNBWVAUOPLMA-UHFFFAOYSA-N 333.472 4.564 0 40 EJAB COc1cc(C)c(C(=O)NCCSC2CCCC2)cc1C(C)C 225671229 XAEBGNWKUMTNDD-UHFFFAOYSA-N 335.513 4.533 0 40 EJAB CCOc1c(C)cc(NC(=O)[C@]2(OCC)CCC[C@H](C)C2)cc1C 225717973 IKAQHDQGGLGVDM-XOBRGWDASA-N 333.472 4.626 0 40 EJAB CCOc1ccc(NC(=O)C2(OCC)CCCCC2)c2ccccc12 225830229 LJCWZDAFLLWBSL-UHFFFAOYSA-N 341.451 4.916 0 40 EJAB O=C(O)c1cc(-c2ccccc2)nc2ccc(F)c(Br)c12 1857793884 OVQPZJMUZZXWTN-UHFFFAOYSA-N 346.155 4.502 0 40 EJAB COc1ccc(-c2nc3ncccn3c2Nc2c(C)cccc2C)cc1 320590 MQUMQPUFSFMANU-UHFFFAOYSA-N 344.418 4.765 0 40 EJAB O=S(=O)(c1ccccc1)C1c2ccccc2Sc2ccccc21 385932 CQVMXSQFPGWMHF-UHFFFAOYSA-N 338.453 4.715 0 40 EJAB Clc1ccc2c(Nc3ccc(Br)cc3)ncnc2c1 1387052 LIBHDFJWWPLMNX-UHFFFAOYSA-N 334.604 4.789 0 40 EJAB Cc1ccc(-c2nnc(SCCCCOc3ccccc3)o2)cc1 2270368 CZLFENNTAQLPRY-UHFFFAOYSA-N 340.448 4.996 0 40 EJAB Cc1ccc2c(CC(=O)NCc3cccc(C(F)(F)F)c3)coc2c1 2644826 ZYPGIWKBNPSVBW-UHFFFAOYSA-N 347.336 4.619 0 40 EJAB CCOC(=O)N[C@H]1Cc2ccccc2[C@H]1Sc1ccc(Cl)cc1 3047684 NVJOKZZYFMPHNR-DLBZAZTESA-N 347.867 4.844 0 40 EJAB CC(C)(C)c1ccc(-c2nc3sc4c(c3c(=O)o2)CCC4)cc1 3243327 XRAUPFACXMBWHA-UHFFFAOYSA-N 325.433 4.703 0 40 EJAB CN(C)[C@H](Cc1ccccc1)C(=O)c1ccc(-c2ccccc2)cc1 3282717 PGBOSHGQRMJEAQ-JOCHJYFZSA-N 329.443 4.709 0 40 EJAB O=C(c1ccccc1OCc1c(F)cccc1Cl)N1CCCCC1 3344838 BHPXKVYSHJLWJU-UHFFFAOYSA-N 347.817 4.684 0 40 EJAB CCOc1ccccc1C(=O)Nc1cc(C(C)(C)C)ccc1OC 3347447 XDMSVDKXLYSRFV-UHFFFAOYSA-N 327.424 4.644 0 40 EJAB COc1ccc(C(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 4769139 SWILASQDIICLLP-UHFFFAOYSA-N 334.415 4.893 0 40 EJAB biogenic CCOc1ccc(Oc2ccc(NC(=O)c3ccncc3)cc2)cc1 5632439 VVCVRMQIVFGUMU-UHFFFAOYSA-N 334.375 4.525 0 40 EJAB O=C(COc1ccccc1F)Nc1ccccc1Oc1ccccc1 5860600 SXVOQWCFDOSJJA-UHFFFAOYSA-N 337.350 4.636 0 40 EJAB COc1cccc(CNc2nc(-c3cccs3)nc3ccccc23)c1 5965820 RYIXFDZVDPQSAR-UHFFFAOYSA-N 347.443 4.979 0 40 EJAB CCN(C(=O)Cc1ccccc1)c1nc(-c2ccc(C)cc2)cs1 6826526 KYKSFXLYFGLCJO-UHFFFAOYSA-N 336.460 4.714 0 40 EJAB Cc1cc(NC(=O)CSc2nc3ccccc3s2)ccc1Cl 8336221 HJNMLURCDZMBFV-UHFFFAOYSA-N 348.880 4.989 0 40 EJAB Cc1ccc2nc(-c3ccc(NC(=O)c4cc(C)no4)cc3)sc2c1 12422366 JOPMAOOMANEDEM-UHFFFAOYSA-N 349.415 4.820 0 40 EJAB CCc1ccc2nc(NC(=O)Cc3c(F)cccc3Cl)sc2c1 12599171 YVDGOGZAXMPYQX-UHFFFAOYSA-N 348.830 4.832 0 40 EJAB CCOc1ccccc1C(=O)OCc1csc(-c2ccccc2)n1 12772217 IKSAMSHULUPAGV-UHFFFAOYSA-N 339.416 4.566 0 40 EJAB O=C1Cc2cc(-c3csc(-c4cccc(Cl)c4)n3)ccc2N1 12940603 RSZUCGAYOZWMSM-UHFFFAOYSA-N 326.808 4.625 0 40 EJAB C[C@H](Sc1ccccc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 14906198 DXGVZHFMARYXRM-NSHDSACASA-N 341.354 4.705 0 40 EJAB O=C(Nc1ccc(N2CCCCC2)c(F)c1)c1cc2ccccc2o1 21577946 PQOUVBKHHPFBIG-UHFFFAOYSA-N 338.382 4.815 0 40 EJAB Cc1cc(NC(=O)[C@@H](C)SCCC23CC4CC(CC(C4)C2)C3)no1 40018146 GSXNMZHOFRFCKZ-PGBRGIIUSA-N 348.512 4.650 0 40 EJAB CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@H](CC)c1ccccc1 44885197 ZHHPVCNFGHIPFM-MOPGFXCFSA-N 325.452 4.728 0 40 EJAB CCc1ccc([C@H](C)NC(=O)[C@@H](CC)Oc2cccc(Cl)c2)cc1 78458316 ZMRKQHBTUXATDF-IFXJQAMLSA-N 345.870 4.937 0 40 EJAB COC(=O)c1ccc2c(c1)CCCN2Cc1cccc2ccccc12 83895860 NLGKLNLGSRPLBT-UHFFFAOYSA-N 331.415 4.579 0 40 EJAB C[C@H](N[C@@H]1CCCOc2c1ccc1ccccc21)c1nc(C2CC2)no1 95409401 CXGLIZXCGFGMOC-SCLBCKFNSA-N 349.434 4.665 0 40 EJAB CC(C)c1ccc(NC(=O)N2CCC[C@@H]([C@@H](C)O)C2)c(C(C)C)c1 96483242 MGVSNMHKUYDIAF-NVXWUHKLSA-N 332.488 4.558 0 40 EJAB CCCCOc1ccc(NC(=O)[C@@]23CC[C@](C)(C(=O)C2)C3(C)C)cc1 100932171 FVHNJNYGINNMIT-NHCUHLMSSA-N 343.467 4.590 0 40 EJAB Cc1cccc(OCc2ccc(C(=O)Oc3ccc(F)cc3)cc2)c1 108030285 MLNBOLDOZFSEMN-UHFFFAOYSA-N 336.362 4.932 0 40 EJAB C[C@@H](C(=O)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118931104 NPBNRBWMDNZEBN-XRJVVGPWSA-N 346.511 4.647 0 40 EJAB COc1ccc(-c2nc3cc(Cl)cc(Br)c3[nH]2)cc1 216917067 UMZFKYQPYXQEJW-UHFFFAOYSA-N 337.604 4.654 0 40 EJAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1cc(Cl)ccc1OC 222979819 NDTAOUGGZWNSRS-KRWDZBQOSA-N 347.842 4.762 0 40 EJAB CCc1ccc(CC)c(CNC(=O)/C=C/c2ccccc2Cl)c1 224076833 NOPORGVUZWABEG-VAWYXSNFSA-N 327.855 4.794 0 40 EJAB COc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1COC(C)C 224425127 UFBKRKNSBBKRNS-UHFFFAOYSA-N 347.842 4.834 0 40 EJAB Nc1cc(-c2nc(-c3ccc(Cl)cc3Cl)no2)ccc1Cl 225171679 DHHLDTISCSDVTE-UHFFFAOYSA-N 340.597 4.946 0 40 EJAB COc1ccc(CCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1C 225868132 NRHQRAQANGWNQS-UHFFFAOYSA-N 338.234 4.882 0 40 EJAB Cc1ccc(-c2nnc(SC(=O)c3ccccc3Cl)o2)cc1 408598732 AGTSRSDDLNCJSG-UHFFFAOYSA-N 330.796 4.631 0 40 EJAB COc1cc(/C=C2\Sc3ccccc3NC2=O)ccc1OC(C)C 409084194 AISASWBRHFWBNB-WQRHYEAKSA-N 341.432 4.568 0 40 EJAB CC(=O)Nc1cccc(NC(=O)N2CCC(C)(CC(C)C)CC2)c1C 585083917 CBCNESVDPVALDS-UHFFFAOYSA-N 345.487 4.634 0 40 EJAB Cc1[nH]nc(-c2ccccc2)c1NC(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 585123571 CYLJXCSOSSXGSR-RTBURBONSA-N 345.446 4.908 0 40 EJAB CC[C@@H](C(=O)N1CC2(CCCCC2)C1)c1cccc(C(F)(F)F)c1 622495987 NWBKHYUHSQOCKD-MRXNPFEDSA-N 339.401 4.992 0 40 EJAB O=C(NCc1cccc2ccccc12)c1cc(F)c(F)cc1Cl 36031 WBQLKABXZGNIOQ-UHFFFAOYSA-N 331.749 4.701 0 40 EJAB CCOc1cccc(C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)c1 178321 QGTWMGVIBDIHHM-UHFFFAOYSA-N 344.842 4.591 0 40 EJAB COc1ccc(NC(=O)c2ccc(OCc3ccccc3)cc2)cc1 226663 RXDHGNRQHKOCNF-UHFFFAOYSA-N 333.387 4.527 0 40 EJAB biogenic CCOc1ccc(-c2cc3cc(Cl)ccc3oc2=O)cc1OCC 488498 AHMLQGXZSSPKOY-UHFFFAOYSA-N 344.794 4.911 0 40 EJAB biogenic Cc1sc(NC(=O)CSc2ccccc2)nc1-c1ccccc1 1000869 ZNPIFPVGNFMEDW-UHFFFAOYSA-N 340.473 4.849 0 40 EJAB CCOc1ccc(-[n+]2cc(-c3ccccc3)n3c2CCCCC3)cc1 2684731 FKWOHAWSFVOUGL-UHFFFAOYSA-N 333.455 4.557 0 40 EJAB O=C(Nc1ccccc1)OCCCCc1nc2ccccc2s1 2707585 AWNMKLZZSPXXEB-UHFFFAOYSA-N 326.421 4.868 0 40 EJAB COc1ccc(CN(C)C(=O)c2ccc(Oc3ccccc3)cc2)cc1 3178186 HXVAOMSFJWEYBW-UHFFFAOYSA-N 347.414 4.760 0 40 EJAB c1csc(-c2nc(N3CCc4ccccc4C3)c3ccccc3n2)c1 3365048 MQFOZXAGSYHKBX-UHFFFAOYSA-N 343.455 4.921 0 40 EJAB Cc1nc2ccccc2n1CCC(=O)Nc1ccc2ccccc2c1 5208791 AXAUKNVWDKQDPP-UHFFFAOYSA-N 329.403 4.527 0 40 EJAB Cc1c(C(=O)Nc2ccc(C(C)C)cc2)oc2c1[C@@H](O)CC(C)(C)C2 5323165 VQJDPESVIAABRN-INIZCTEOSA-N 341.451 4.970 0 40 EJAB Cc1ccc(CN2CCC(c3cc(-c4cccs4)[nH]n3)CC2)cc1 5625978 QWKVLFDZMMXCIJ-UHFFFAOYSA-N 337.492 4.826 0 40 EJAB COc1ccc(OC)c(/C=C/C(=O)Nc2c(C)cc(C)cc2Cl)c1 6236788 GZZWLJRNYVGNHF-VMPITWQZSA-N 345.826 4.626 0 40 EJAB CCCc1ccc(S(=O)(=O)Nc2ccccc2C(C)(C)C)cc1 6415682 VIRGGGMOLRIBNX-UHFFFAOYSA-N 331.481 4.737 0 40 EJAB Cc1sc(NC(=O)c2cc(F)cc(F)c2)nc1-c1ccccc1 6510468 LXQZXAGONCGATM-UHFFFAOYSA-N 330.359 4.649 0 40 EJAB C[C@@H](NC(=O)C(C)(C)c1ccccc1)C12CC3CC(CC(C3)C1)C2 7265259 MBFVKFDNQUCSFU-NOCBQHASSA-N 325.496 4.685 0 40 EJAB CCOc1ccc(Br)cc1CNC1CCCCCC1 8324499 UKAHAISKJGYVLK-UHFFFAOYSA-N 326.278 4.660 0 40 EJAB Cc1ccc(Nc2ncc3c(n2)C[C@@H](c2cccc(C)c2)CC3=O)cc1 10156613 KZEFENAWWWIBLK-QGZVFWFLSA-N 343.430 4.750 0 40 EJAB CC(C)(C)OC(=O)C(C)(C)Sc1ccc(Br)cc1 11919402 SYNUPKFIWSYGPA-UHFFFAOYSA-N 331.275 4.662 0 40 EJAB C[C@H](CCc1ccc(O)cc1)NC(=O)Nc1cccc2ccccc12 12800896 VHMCSTRKOCJNLK-OAHLLOKOSA-N 334.419 4.688 0 40 EJAB O=C(Nc1cc(Cl)ccc1F)c1csc(-c2cccs2)n1 12879034 BKIBVJGNZABWNT-UHFFFAOYSA-N 338.816 4.916 0 40 EJAB CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@@H]1CCCc2ccccc21 20104403 WIBLHNZCIMAKCV-UXHICEINSA-N 337.463 4.655 0 40 EJAB Cc1cccc(Nc2nn(-c3ccccc3)c3c2C(=O)C[C@H](C)C3)c1C 20671988 JRUIQHUUPDFIAY-CQSZACIVSA-N 345.446 4.998 0 40 EJAB CCCCN(C)C(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12 22279358 HJAFUYXQLNEEKB-UHFFFAOYSA-N 349.430 4.641 0 40 EJAB CCc1ccccc1NC(=O)c1cccnc1SCC(F)(F)F 22523089 ZQSMANKNNLSOPU-UHFFFAOYSA-N 340.370 4.551 0 40 EJAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(F)ccc1F 28211034 FQBVIMADXIDNMA-UHFFFAOYSA-N 335.659 4.889 0 40 EJAB COc1cc([C@@H](C)NC(=O)C[C@@H]2C=CCC2)ccc1OC1CCCC1 48331641 MSGVGHHAMNDYGS-HZPDHXFCSA-N 343.467 4.550 0 40 EJAB O=C(N[C@H]1CCc2ccccc21)c1ccccc1SC(F)(F)F 48355582 VYIHATPQFMIIJD-AWEZNQCLSA-N 337.366 4.716 0 40 EJAB FC(F)(F)c1nc(N[C@@H]2C[C@H]2c2ccccc2)c2ccccc2n1 63248795 BUWRPUDKFVOJAV-DZGCQCFKSA-N 329.325 4.617 0 40 EJAB CC(C)CN1CCC(NCc2ccc(F)c(-c3cccs3)c2)CC1 71817331 RMMPQRRNEDASTR-UHFFFAOYSA-N 346.515 4.764 0 40 EJAB c1ccc(CN2CCC[C@@H]2c2ccc(N3CCCCCC3)nc2)cc1 72216631 QVJYCXWAFZLMSU-OAQYLSRUSA-N 335.495 4.799 0 40 EJAB c1ccc(C2CCC(N3CCN([C@@H]4C[C@@H]5CC[C@@H]4C5)CC3)CC2)cc1 101584077 LRFGDHOYBPTOBR-JTBUPQJYSA-N 338.539 4.519 0 40 EJAB Cc1noc2c1[C@@H](C(C)C)C1=C(O)C[C@@H](c3ccc(O)cc3)CC1=N2 102744152 ZSELBJCXALPKGL-SUMWQHHRSA-N 338.407 4.904 0 40 EJAB CC(C)(C)SCCNC(=O)c1cc2c(ccc3ccccc32)o1 113941729 RMNMXWQLMNJNIS-UHFFFAOYSA-N 327.449 4.848 0 40 EJAB CO[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@H](OC(C)=O)C[C@@]4(C)CC[C@@H]32)C1 118926500 FQVPPGVKBAZPLS-CWAYHHJTSA-N 346.511 4.896 0 40 EJAB CC(C)(C)OC(=O)N1CCC[C@H]1c1cc(F)ccc1Br 199829600 XZDZZIIHDHRZLZ-ZDUSSCGKSA-N 344.224 4.660 0 40 EJAB CC[C@@H](Oc1ccccc1)C(=O)N[C@@H](CC(C)C)c1ccccc1 222863803 VZDMSPTZURDHOB-VQTJNVASSA-N 325.452 4.748 0 40 EJAB CC(C)(C)c1ccc(OCC(=O)NCc2cccc3ccccc23)cc1 222863862 GUFWTUMNPSTLSV-UHFFFAOYSA-N 347.458 4.833 0 40 EJAB CCOc1ccc(C(=O)NC2CC2)cc1CSc1ccc(C)cc1 224659497 CEGSVNSCZWPNBL-UHFFFAOYSA-N 341.476 4.578 0 40 EJAB CCN(c1ccccc1Cl)S(=O)(=O)c1ccc2ccccc2c1 225045178 YAYXKNXLUSTKDD-UHFFFAOYSA-N 345.851 4.708 0 40 EJAB Brc1cc(C23CC4CC(CC(C4)C2)C3)cc2[nH]cnc12 226305356 TXJSGNZXKRTXGT-UHFFFAOYSA-N 331.257 4.793 0 40 EJAB Cc1nc2cc(C(=O)Nc3cccc(Br)c3)ccc2s1 408977316 IEVWGKZFTIOXPM-UHFFFAOYSA-N 347.237 4.620 0 40 EJAB CCCOc1ccc(CNc2ccc(OCC)cc2)cc1OCC 409110656 XNUHVRQZDZDGLN-UHFFFAOYSA-N 329.440 4.885 0 40 EJAB Fc1ccc(-n2c(Sc3ccccn3)nnc2-c2ccccc2)cc1 409122158 ZYMUHFBIFZBLIL-UHFFFAOYSA-N 348.406 4.620 0 40 EJAB Cc1ccc(Oc2ccc(F)cc2OCC[C@@H]2CCCN2C)cc1 585266160 BSDPBUMLOKKVSS-KRWDZBQOSA-N 329.415 4.790 0 40 EJAB Cc1ccc(-n2c(C)cc(/C=C3/C(=O)N(C)c4ccccc43)c2C)cc1 575056 MAVFJXRTQITKMJ-KGENOOAVSA-N 342.442 4.920 0 40 EJAB Cc1cccc(-c2nnc(N(C(=O)C3CCCCC3)C(C)C)s2)c1 1345447 MEFFNAZZHFQJRT-UHFFFAOYSA-N 343.496 4.835 0 40 EJAB CC(C)NC(=O)OCc1cccnc1Sc1ccc(Cl)cc1 1388861 HIGZWKBHRORTJP-UHFFFAOYSA-N 336.844 4.521 0 40 EJAB CCCCCCOc1ccc(/C=C2\N=C(c3ccccc3)OC2=O)cc1 2186785 DOFDVZLMEQKJKU-SILNSSARSA-N 349.430 4.990 0 40 EJAB O=C(CCc1ccc(F)cc1)c1ccc(Br)c(F)c1 2517394 HQBWMOGCJPFKJB-UHFFFAOYSA-N 325.152 4.543 0 40 EJAB Cc1ccc(C)c(OCCn2cc(C(=O)C3CC3)c3ccccc32)c1 3648646 SSHUTBCESWBAPA-UHFFFAOYSA-N 333.431 4.930 0 40 EJAB CCOc1ccc2cc3c(N)c(C(=O)c4ccccc4)sc3nc2c1 4160562 UVWLBNZAFNYIJA-UHFFFAOYSA-N 348.427 4.661 0 40 EJAB CCO[C@]1(c2ccccc2)c2ccccc2C(=O)N1c1ccccc1 4726485 JXLPFVZKBPHJFC-JOCHJYFZSA-N 329.399 4.585 0 40 EJAB O=C(COc1c(Cl)cccc1Cl)Nc1cccc2cccnc12 6788455 LTUKQJXILFHXMB-UHFFFAOYSA-N 347.201 4.559 0 40 EJAB Cc1ccc(C(C)C)c(OCC(=O)Nc2cccc3cnccc23)c1 7655373 MPBYNHAPVXDMGI-UHFFFAOYSA-N 334.419 4.684 0 40 EJAB CC(C)(C)C(=O)Nc1cccc(NC(=O)c2ccccc2Cl)c1 9141955 UHJOZBMZHVMVIJ-UHFFFAOYSA-N 330.815 4.577 0 40 EJAB CCN1C(=O)[C@@H](Cc2ccc(OC3CCCC3)cc2)c2ccccc21 15018171 YDJAZSBGCNUFCF-FQEVSTJZSA-N 335.447 4.701 0 40 EJAB CCCCC(=O)Nc1cccc(-c2nc(-c3ccccc3C)no2)c1 15671102 XSKKAAMEQYDELO-UHFFFAOYSA-N 335.407 4.841 0 40 EJAB Cc1ccc(-c2nnc(C3CCN(Cc4ccsc4)CC3)o2)s1 19217871 PVXYJEZGPULRQU-UHFFFAOYSA-N 345.493 4.548 0 40 EJAB Cc1cc(C)cc(CSCC(=O)NCc2ccc(Cl)cc2)c1 20237913 SGKKILAYVBVBOA-UHFFFAOYSA-N 333.884 4.506 0 40 EJAB Cc1cc(C)cc(OCC(=O)Nc2nc3cc(C)c(C)cc3s2)c1 28284451 JDWVJYOMSBDATP-UHFFFAOYSA-N 340.448 4.547 0 40 EJAB Fc1cccc(-c2nc(CN3CCC[C@H]3Cc3ccccc3)co2)c1 28965826 MDRMNZARSCEVMR-FQEVSTJZSA-N 336.410 4.688 0 40 EJAB O=C(CSc1ccncc1)Nc1ccc(SC2CCCC2)cc1 30510753 GROITFPSKIZOOE-UHFFFAOYSA-N 344.505 4.847 0 40 EJAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)N[C@@H]2CCCc3ccccc32)c1 30849880 CDSFRASFUALZJQ-YLJYHZDGSA-N 337.463 4.573 0 40 EJAB O=C(O)[C@@H](Cc1ccc(Cl)cc1)c1cccc(Br)c1 40443196 HMACGKZYWDFEKR-AWEZNQCLSA-N 339.616 4.513 0 40 EJAB CC[C@@H](C)c1ccc(OCC[C@H]2CCCNC2)c(Br)c1 42770371 GVBIJYSQAGRSAT-ZIAGYGMSSA-N 340.305 4.731 0 40 EJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N1CCc2ccccc2C1 44841534 RKQQZORMSIFIOC-QFIPXVFZSA-N 345.442 4.582 0 40 EJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1c(F)cccc1F 44843026 OYMQESPVFMVNSP-QGZVFWFLSA-N 341.357 4.914 0 40 EJAB Cc1ccc(F)c(NC(=S)Nc2ccc(C(F)(F)F)cc2)c1 54922673 NQDSYJHZYZHBED-UHFFFAOYSA-N 328.334 4.962 0 40 EJAB Cc1cccc(Cc2cnc(NC(=O)N(C)CC3CCCC3)s2)c1 72277124 GJGALDBHFHXQOX-UHFFFAOYSA-N 343.496 4.696 0 40 EJAB CCCc1noc([C@H](C)OC(=O)c2ccc3c(c2)Cc2ccccc2-3)n1 84759046 PNSYVVGUWCURAR-ZDUSSCGKSA-N 348.402 4.511 0 40 EJAB Cc1ccc(CN2CC[C@@H](N(C)C(C)C)[C@@H]2Cc2ccccc2)s1 96061663 WENUQBMCNONOOO-RTWAWAEBSA-N 342.552 4.582 0 40 EJAB CC(C)Oc1ccc(CNC(=O)c2ccccc2SC(C)C)cc1 113958844 BIJHSZIMGQILNK-UHFFFAOYSA-N 343.492 4.904 0 40 EJAB O=C(CSc1ccc(Cl)cc1)NCc1cccc2ccccc12 222826828 YGSHQSXEEURVRW-UHFFFAOYSA-N 341.863 4.902 0 40 EJAB CCC1(CC)C[C@H](NC(=O)c2ccc(F)cc2)c2ccccc2O1 224906692 ZIPOXIZZMRIPOV-KRWDZBQOSA-N 327.399 4.638 0 40 EJAB CC[C@@H](C(=O)NCc1cncc(-c2cccs2)c1)c1ccccc1 225663783 NMXVPOLWXNBMCA-GOSISDBHSA-N 336.460 4.620 0 40 EJAB C[C@]12CCC3(C[C@H]1CC[C@@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@@]2(C)O)OCCO3 253617464 OCPDFDRDDCQKEV-YCEXZFRFSA-N 348.527 4.523 0 40 EJAB O=C(/C=C/c1ccccc1Cl)Oc1ccc(Br)cc1 146706 DVFURMPROCALCV-BJMVGYQFSA-N 337.600 4.721 0 40 EJAB Cc1nc(-c2ccccc2)sc1C(=O)N1CCCc2ccccc21 157248 VCQMPGKCVZXJOF-UHFFFAOYSA-N 334.444 4.712 0 40 EJAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(C)cc1 557422 NNARUCFZVUWFIS-VMPITWQZSA-N 336.218 4.962 0 40 EJAB Cc1ccc(N2C(=O)c3[nH]nc(C)c3[C@H]2c2ccc(C(C)C)cc2)cc1 4928754 UVDHNTQAUONJCG-OAQYLSRUSA-N 345.446 4.900 0 40 EJAB CSCC[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc(C)cc3)=NN21 5163817 PACSKYNGPFMXIT-AZUAARDMSA-N 338.476 4.618 0 40 EJAB CCCCn1cc(C(=O)OCC)c2cc(O)c3cc(C)ccc3c21 5793300 ZEGMPPGKFYMSBJ-UHFFFAOYSA-N 325.408 4.785 0 40 EJAB Cc1ccccc1NCc1ccc(OCC(=O)Nc2ccccc2)cc1 6969274 YIDIUYRTEPNOCO-UHFFFAOYSA-N 346.430 4.625 0 40 EJAB C[C@@H](NC(=O)c1ccccc1Br)c1cc2ccccc2o1 8062414 UPLLMYGMFLVRTN-LLVKDONJSA-N 344.208 4.686 0 40 EJAB C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)N(C)Cc1ccsc1 11438357 PXSRZGGOOKIBRH-CQSZACIVSA-N 330.497 4.505 0 40 EJAB Cc1ccc(-c2nc(NCc3ccccn3)ncc2-c2ccsc2)o1 12233136 OBQRTQONQIUMKL-UHFFFAOYSA-N 348.431 4.781 0 40 EJAB O=C(COc1cccc2ccccc12)N1CCC[C@H]1c1cccs1 12860593 MRPOTZYMXBMQSJ-KRWDZBQOSA-N 337.444 4.644 0 40 EJAB CCOP(=O)(OCC)[C@@H](/C=C(/Cl)c1ccc(C)cc1)N(C)C 16688016 VPZNSTDXHLKBCO-STTHAQSSSA-N 345.807 4.729 0 40 EJAB Cc1ccc(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)c(F)c1 18079719 CFURIWUMRXOCCA-UHFFFAOYSA-N 344.386 4.733 0 40 EJAB CCCCCC(=O)Nc1ccc2nn(-c3ccc(CC)cc3)nc2c1 20610126 XMGJZLCJTYAOFZ-UHFFFAOYSA-N 336.439 4.502 0 40 EJAB CC(C)c1nnc(NC(=O)/C=C/c2cccc(Cl)c2Cl)s1 21669677 KQIATSPQDSQIJI-VOTSOKGWSA-N 342.251 4.620 0 40 EJAB CCc1nc2ccc(NC(=O)c3cc(Cl)ccc3OC)cc2s1 22254839 FIHIUCLXCJOULO-UHFFFAOYSA-N 346.839 4.773 0 40 EJAB O=C(CSCc1ccccc1F)Nc1ccccc1C(F)(F)F 23410934 FJKWBJRMJSKYTL-UHFFFAOYSA-N 343.345 4.716 0 40 EJAB O=C(CC1CCCCC1)N1CCC(c2nc3ccccc3s2)CC1 23499793 ZKONELSCQHTQLV-UHFFFAOYSA-N 342.508 4.973 0 40 EJAB COc1ccc(SCC(=O)Nc2ccc(C(C)C)cc2)cc1OC 30873284 DSJZSZSJBZTLCJ-UHFFFAOYSA-N 345.464 4.558 0 40 EJAB O=C(NCc1ccc(Cl)cc1)Nc1ccccc1C(F)(F)F 33534571 CPFDDMJGIODPJE-UHFFFAOYSA-N 328.721 4.681 0 40 EJAB O=C(Nc1nc(C2CC2)cs1)c1cc(-c2cccc(Cl)c2)on1 40087421 VGIXNEWWEZZZTH-UHFFFAOYSA-N 345.811 4.581 0 40 EJAB O=C(c1ccc(-n2cc[nH]c2=S)cc1)N1CCC[C@@H]1c1ccccc1 45065078 UMWIXPUEEPUMCW-GOSISDBHSA-N 349.459 4.512 0 40 EJAB COc1ccccc1NC(=O)[C@H](C)SCc1cccc(Cl)c1 45089805 PLTJRTXIPRCHAY-LBPRGKRZSA-N 335.856 4.609 0 40 EJAB C[C@@H](Sc1ncccn1)c1cccc(NC(=O)c2ccccc2)c1 53336848 AWYJQGPTOCKSAV-CQSZACIVSA-N 335.432 4.582 0 40 EJAB CC[C@H]1c2ccsc2CCN1C(=O)N[C@H](C)c1sc(C)nc1C 57283391 AJVODLBMPZSRSZ-RISCZKNCSA-N 349.525 4.601 0 40 EJAB CC(C)(NCc1noc(-c2ccc(F)cc2)n1)c1ccc(Cl)cc1 84370340 DHJBKHYTSMQNJJ-UHFFFAOYSA-N 345.805 4.554 0 40 EJAB Cc1cccc([C@@H]2CC(c3ccco3)=NN2C(=O)c2ccccc2C)c1 96012472 PZKRFJDOJOVOHU-FQEVSTJZSA-N 344.414 4.888 0 40 EJAB COc1ccc([C@@H]2c3sc(O)nc3S[C@H]3[C@@H]4CC[C@H](C4)[C@@H]32)cc1 100619924 NPIJXUGEZHABCE-NXRJPMIISA-N 345.489 4.510 0 40 EJAB Cc1nc2cc(-c3ccc(Cl)cc3)nn2c(O)c1Cc1ccccc1 102803467 XLDYYKDRCVIYMG-UHFFFAOYSA-N 349.821 4.655 0 40 EJAB Cc1cs/c(=N/c2ccccc2)n1CC(=O)c1ccc(Cl)cc1 102946147 LMBBJDOHLODFSC-CZIZESTLSA-N 342.851 4.627 0 40 EJAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1ccc(F)c(Cl)c1 222953115 GGTOYHPYXKSLDT-MRXNPFEDSA-N 335.806 4.892 0 40 EJAB C[C@H](NC(=O)/C=C/c1ccc(Cl)cc1)c1ccc2c(c1)CCC2 223151092 WKKYJBUJTWJUKX-GMMCIKNFSA-N 325.839 4.719 0 40 EJAB O=C(NCCc1ccc(F)cc1)c1cc2c(ccc3ccccc32)o1 224019770 FKDCHGSLQZRIPA-UHFFFAOYSA-N 333.362 4.698 0 40 EJAB Cc1ccccc1[C@H](NC(=S)Nc1c(F)cccc1F)C(C)C 225761194 UXZIBBWRBFOSFT-MRXNPFEDSA-N 334.435 4.957 0 40 EJAB CCCCOc1ccc(NC(=O)[C@](C)(CCCC)OCCC)cn1 225907088 LWEHBZKALGXGFK-IBGZPJMESA-N 336.476 4.575 0 40 EJAB O=C1c2ccccc2CN1c1ccc2oc(-c3ccc(F)cc3)nc2c1 226286416 UHYWTJFGFVHXRF-UHFFFAOYSA-N 344.345 4.794 0 40 EJAB O=C(c1ccc([C@@H]2CCCOC2)cc1)N1CCCC12CCCCC2 507089302 SBZQPCHZGDAGSY-LJQANCHMSA-N 327.468 4.520 0 40 EJAB CCc1nn(C)cc1N[C@@H](C)c1cccc(OCc2ccccc2)c1 538580108 NOUCRQJVBXLRMZ-INIZCTEOSA-N 335.451 4.735 0 40 EJAB Cc1cccn2cc(-c3ccc(N[C@H](C)c4cscn4)cc3)nc12 580666765 ADAXOAOVZNEXND-CQSZACIVSA-N 334.448 4.939 0 40 EJAB CC(=O)Nc1cccc(-c2nc(-c3ccccc3)nc3ccccc23)c1 184167 GAHUOGFGMVBLOE-UHFFFAOYSA-N 339.398 4.922 0 40 EJAB Fc1ccc(-c2nc3ccccn3c2Nc2ccc3c(c2)OCO3)cc1 1412094 ZDSQPCJZERYQOV-UHFFFAOYSA-N 347.349 4.613 0 40 EJAB CCCCN(CCNc1cc(OC)cc2cccnc12)C[C@H](C)CC 1653254 NQFXOYSWSKBKDZ-QGZVFWFLSA-N 343.515 4.804 0 40 EJAB CCN(CC)c1nc(-c2ccc(Cl)cc2)nnc1-c1ccccc1 2050006 RCVJZCOLWWDDHS-UHFFFAOYSA-N 338.842 4.705 0 40 EJAB Fc1cc(NC(=S)Nc2cccc3cnccc23)ccc1Cl 3331356 VXPNOCUHEGHGAM-UHFFFAOYSA-N 331.803 4.836 0 40 EJAB O=C(Nc1cccnc1Cl)c1ccccc1CCc1ccccc1 4775585 AFONWKRGNDXVEA-UHFFFAOYSA-N 336.822 4.773 0 40 EJAB Cc1ccc(C2=NC3(CCCC3)N(C(=O)c3ccccc3)C2=S)cc1 4891792 ARIZWPKKTVGARI-UHFFFAOYSA-N 348.471 4.538 0 40 EJAB O=C(c1cc(-c2ccccc2Cl)nc2ccccc12)N1CCCC1 5392393 CSCWAQFKBXKHKL-UHFFFAOYSA-N 336.822 4.791 0 40 EJAB COc1ccc([C@H]2NN=C(C34CC5CC(CC(C5)C3)C4)S2)cc1 5744876 BXGULLHPJRBZRU-AFRKLYKTSA-N 328.481 4.560 0 40 EJAB Fc1ccc(CNCc2ccc(OCc3cccs3)cc2)cc1 7523990 XFGFKKUBTYLXHF-UHFFFAOYSA-N 327.424 4.756 0 40 EJAB O=C(Nc1ccc(F)c(F)c1)c1ccc(C2SCCS2)cc1 8035132 KWJJMMIJEIZVKJ-UHFFFAOYSA-N 337.416 4.696 0 40 EJAB O=C(OCc1cccc2ccccc12)c1cc(N2CCCCC2)ccn1 8395524 TZJBMHHAEVYEOH-UHFFFAOYSA-N 346.430 4.582 0 40 EJAB S=C1NC2=C(CCC/C2=C\c2ccccc2)[C@H](c2ccccc2)N1 8691602 OIWFTKSWHDPJCN-FLXZHSAZSA-N 332.472 4.727 0 40 EJAB aggregator O=C(Nc1noc2ccccc12)C(c1ccccc1)c1ccccc1 9667579 YUACEERRFUSYQO-UHFFFAOYSA-N 328.371 4.598 0 40 EJAB COc1ccc(NC(=O)CCc2ccc(-c3ccc(C)cc3)o2)cc1 9970562 WKZNDIGFNBVLHO-UHFFFAOYSA-N 335.403 4.835 0 40 EJAB Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)c1 13710696 GGWSEKRTZRZJOW-CYBMUJFWSA-N 337.341 4.728 0 40 EJAB C[C@@H](NCc1cnn(-c2ccccc2)c1)c1cccc2ccccc12 14232408 PCEYVUDDBZVOPJ-QGZVFWFLSA-N 327.431 4.876 0 40 EJAB Cc1cccc(OCC(=O)N(c2ccccc2)c2nc(C)cs2)c1 14586918 QNGXZXZVAQGKEW-UHFFFAOYSA-N 338.432 4.504 0 40 EJAB Cc1nn(-c2ccc(C(=O)N3CCCCCCC3)cc2)c(C)c1Cl 15992816 SBMUJOCLMNEWFM-UHFFFAOYSA-N 345.874 4.549 0 40 EJAB C[C@@H](NC(=O)Nc1ccccc1C(F)(F)F)c1ccc(F)cc1 20538207 WRNGEZPPRRIFHH-SNVBAGLBSA-N 326.293 4.727 0 40 EJAB O=C(Nc1cccc(-c2nc3cnccc3o2)c1)c1ccccc1Cl 20721498 LJXFBGAJQUMUQS-UHFFFAOYSA-N 349.777 4.796 0 40 EJAB CCC(CC)c1nnc(NC(=O)COc2ccccc2C(C)C)s1 21056656 MFXSFOANFSJRJG-UHFFFAOYSA-N 347.484 4.583 0 40 EJAB O=C(COc1ccc(F)cc1Cl)Oc1cccc2ccccc12 22392540 OJSPRZDRVUWBKJ-UHFFFAOYSA-N 330.742 4.617 0 40 EJAB COc1ccc(-c2csc(N(C(C)=O)c3ccc(C)cc3)n2)cc1 27525631 CKZCUPRGBDHQBP-UHFFFAOYSA-N 338.432 4.812 0 40 EJAB Cc1nc(CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)no1 30025687 OALXFMKEPSJIJM-UHFFFAOYSA-N 349.415 4.992 0 40 EJAB Cc1cc(NC(=O)CCSCc2ccc(Cl)cc2Cl)no1 32779050 KNUGVANXJVLKAI-UHFFFAOYSA-N 345.251 4.552 0 40 EJAB OC1=Nc2nc(N3CCCCC3)sc2[C@@H](c2ccc(F)cc2F)C1 36354349 SZXFESORFBZKHE-GFCCVEGCSA-N 349.406 4.535 0 40 EJAB O=C(Nc1ccc(C(F)(F)F)cc1)N1CC[C@H](c2ccccc2)C1 38935621 FKLFJYDSPLAQEA-AWEZNQCLSA-N 334.341 4.727 0 40 EJAB Cc1nc(-c2ccc(N[C@@H](C)c3nc(C(C)(C)C)no3)cc2)cs1 46814985 YWFXSVQXZRRNDE-NSHDSACASA-N 342.468 4.972 0 40 EJAB CCCCC(=O)Nc1nc(-c2cccs2)c(-c2cc(C)no2)s1 57742000 RGGWMLMLKLPJPL-UHFFFAOYSA-N 347.465 4.964 0 40 EJAB CSc1ccc([C@H]2SC(C)=Nc3c2c(O)nn3C(C)C)cc1 71284693 XUIKUPPABIETKU-CQSZACIVSA-N 333.482 4.778 0 40 EJAB CC(C)c1cc(C(=O)Nc2ccc3[nH]ccc3c2)n(-c2ccccc2)n1 71286067 RDWKVAJOWUTBQN-UHFFFAOYSA-N 344.418 4.729 0 40 EJAB Clc1ccc(-c2cc3ncccc3c(NCc3ccccn3)n2)cc1 72373210 WOOSUMCPKFFHFE-UHFFFAOYSA-N 346.821 4.957 0 40 EJAB O=C(CCSc1ccccc1)N1CCC(c2cccs2)CC1 75157040 LVYVLYUZQGGLDX-UHFFFAOYSA-N 331.506 4.637 0 40 EJAB CC(C)[C@@H]1SCC(O)=Nc2c1c(O)nn2C1CCCCCCC1 79482424 KEUBYDAFEYDBCY-HNNXBMFYSA-N 337.489 4.906 0 40 EJAB Cc1c([C@H](C)N[C@@H](C)c2ccncc2)cnn1-c1cccc(Cl)c1 89544950 JPUFRYKDVHSEAH-KBPBESRZSA-N 340.858 4.641 0 40 EJAB C[C@H](N[C@H]1CCc2ccccc21)c1ccc(OC2CCOCC2)cc1 95419577 FOVCMWAWYAXQCN-AOMKIAJQSA-N 337.463 4.583 0 40 EJAB C[C@@H](NC(=O)/C=C/c1ccc(Cl)cc1Cl)[C@H]1C[C@H]2CC[C@H]1C2 107450065 LYTBYJYOGOTVFB-RMQCZZPTSA-N 338.278 4.948 0 40 EJAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](SC(=N)N)CC[C@@]43C)[C@@H]1CCC2=O 118931214 CHRVZSYISQNFKQ-NIDXHAAISA-N 346.540 4.514 0 40 EJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCCc1ccc(C)cc1 216334661 MXCAMSIZQDSSPL-LJQANCHMSA-N 345.870 4.555 0 40 EJAB CCc1ccc(O[C@H](CC)C(=O)Nc2cccc(SC)c2)cc1 222879663 AOQMMAISUNDZSW-GOSISDBHSA-N 329.465 4.767 0 40 EJAB CCc1ccc(O[C@@H](CC)C(=O)Nc2ccc(OC(C)C)cc2)cc1 222886840 KXJOPKXPTPWUOB-FQEVSTJZSA-N 341.451 4.832 0 40 EJAB CC[C@H](NC(=O)CSc1ccccc1)c1ccc2c(c1)CCCC2 223016611 UICSZQOMFXOCEF-FQEVSTJZSA-N 339.504 4.925 0 40 EJAB COc1ccc(C(=O)Nc2cccc(Cl)c2)cc1COC(C)C 224424510 WJWLPOPCFBKEJN-UHFFFAOYSA-N 333.815 4.526 0 40 EJAB O=C(O)[C@H](Cc1ccc(Cl)cc1Cl)Sc1ccccc1 225086603 UIKMTZOLQDGGIQ-AWEZNQCLSA-N 327.232 4.781 0 40 EJAB O=C(O)[C@@H](Cc1ccc(Cl)c(Cl)c1)Sc1ccccc1 225089221 RXECGUFKCGSPBW-CQSZACIVSA-N 327.232 4.781 0 40 EJAB S=C(NCCc1ccccc1)Nc1ccc(OC2CCCC2)cc1 225282605 AJHJFMWQJTZQGU-UHFFFAOYSA-N 340.492 4.537 0 40 EJAB CCOc1cccc(NC(=S)NCCCc2ccccc2Cl)c1 225541150 AHVMNPIXZTVKBE-UHFFFAOYSA-N 348.899 4.658 0 40 EJAB C[C@H](CCc1ccccc1)NC(=O)CSCc1cccc(Cl)c1 408577343 ZJRXSGILJNBXKB-OAHLLOKOSA-N 347.911 4.711 0 40 EJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](C)CCc1ccccc1 408680980 UTEJRGZRALWQRQ-KXBFYZLASA-N 345.870 4.635 0 40 EJAB Cc1ccc2nc([C@H]3CCCN(C(=O)c4c(C)cccc4C)C3)[nH]c2c1 536455908 QQTMJPBZEFNCQF-KRWDZBQOSA-N 347.462 4.508 0 40 EJAB COc1ccc(SC[C@H]2CN(C)CC[C@@H]2c2ccc(F)cc2)cc1 346632 MLARQDLTIVCLRN-OXQOHEQNSA-N 345.483 4.662 0 40 EJAB CCN(CC)c1ccc(NC(=O)COc2cccc3ccccc23)cc1 362727 MWOJNZQAEDDXQM-UHFFFAOYSA-N 348.446 4.704 0 40 EJAB C[C@H]1C[C@H](C)CN(c2ncnc3scc(-c4ccc(F)cc4)c23)C1 521493 LEWMLPXVFIGBOQ-STQMWFEESA-N 341.455 4.980 0 40 EJAB O=C1NC(=O)/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)S1 975814 LINLFOKYKLOFSG-IZZDOVSWSA-N 340.187 4.577 0 40 EJAB CCCOc1ccc([C@@H](C)c2cc3c(cc2OCC)OCO3)cc1 1583505 WRGIAQUHDAENLX-CQSZACIVSA-N 328.408 4.755 0 40 EJAB COc1ccc(-[n+]2c(-c3ccc(C)cc3C)cn3ccccc32)cc1 2684626 WQWDUTJZGPQEQM-UHFFFAOYSA-N 329.423 4.508 0 40 EJAB CC(C)(C)c1ccc(C2=N/C(=C/c3ccc(Cl)cc3)C(=O)O2)cc1 3052808 DROUWIOVNGPAMT-SFQUDFHCSA-N 339.822 4.982 0 40 EJAB CC(=O)N1c2ccccc2C(c2ccccc2)(c2ccccc2)O[C@H]1C 4019426 LDVWQACAMPGBCB-SFHVURJKSA-N 343.426 4.708 0 40 EJAB CN1CCC(=C(c2ccccc2)c2ccc(Br)cc2)CC1 4128618 SMAVQOQAFDCUIZ-UHFFFAOYSA-N 342.280 4.977 0 40 EJAB Cc1cccc(C(=O)N2N=C(c3ccco3)C[C@@H]2c2cccs2)c1 4318000 XAWRCBBJFDLMNV-MRXNPFEDSA-N 336.416 4.641 0 40 EJAB Cc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)o1 4349494 GCPZHKOWNSMENP-KXBFYZLASA-N 336.416 4.892 0 40 EJAB COc1ccc(N[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)cc1 7223414 YETRVDZUGACRMN-INIZCTEOSA-N 346.430 4.801 0 40 EJAB COc1cc(C(=O)O)cc(Cl)c1OCc1cccc2ccccc12 7604039 ZWXIZOWBMNUTBU-UHFFFAOYSA-N 342.778 4.779 0 40 EJAB Cc1ccc(CNC(=O)CCc2ccc(-c3ccccc3F)o2)cc1 8330681 ZIAYFCFPYKANSL-UHFFFAOYSA-N 337.394 4.643 0 40 EJAB CCCCc1nnn(-c2nc(C)cc(-c3ccccc3)n2)c1CCCC 8781850 FXJDJGYMKGXFDO-UHFFFAOYSA-N 349.482 4.718 0 40 EJAB Cc1ccc(CNC(=O)CCc2ncc(-c3ccc(C)c(C)c3)o2)cc1 12265886 REXDQKOHRXEDKL-UHFFFAOYSA-N 348.446 4.516 0 40 EJAB C[C@H](N[C@H](C)c1ccc2ccccc2c1)C(=O)Nc1cccc(F)c1 12869689 LWWFAARRZYXROW-CABCVRRESA-N 336.410 4.657 0 40 EJAB O=C(Nc1cccc2ncccc12)c1csc(-c2ccsc2)n1 12996874 CHDIDDDXZXNLTL-UHFFFAOYSA-N 337.429 4.672 0 40 EJAB Cc1cccc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3s2)c1 14197775 SUTQOEQTCYDDAZ-QGZVFWFLSA-N 336.460 4.972 0 40 EJAB COc1ccc(C)cc1-c1csc(NC(=O)c2ccc(C)cc2)n1 15637334 BCYVRLWJRWLVCG-UHFFFAOYSA-N 338.432 4.688 0 40 EJAB Cc1ccc(-c2nc(CNC(=O)c3cccc(Cl)c3)cs2)cc1 15832579 SWRBRUJOOXCKRI-UHFFFAOYSA-N 342.851 4.702 0 40 EJAB Cc1ccc2nc(-c3cccs3)c(NC(=O)c3ccccc3)n2c1 16742301 PJGAYZLBNNBHOO-UHFFFAOYSA-N 333.416 4.624 0 40 EJAB CCOc1ccccc1NC(=S)N[C@@H](CC)c1ccc(OC)cc1 20625040 MDVBTKPEOOLPBV-INIZCTEOSA-N 344.480 4.532 0 40 EJAB COc1ccc(Cl)cc1C(=O)Nc1ccc(F)c(C(F)(F)F)c1 22250552 JZUOUGPXTRQQCS-UHFFFAOYSA-N 347.695 4.759 0 40 EJAB S=c1[nH]cc(-c2ccc(Br)cc2)n1-c1ccccc1 26423085 ZDOPRRNEKNKYEP-UHFFFAOYSA-N 331.238 4.964 0 40 EJAB Cc1cc(NC(=O)c2ccc(Cl)c(Cl)c2)n(C2CCCC2)n1 28305051 HLJXLMFTYBPOQN-UHFFFAOYSA-N 338.238 4.866 0 40 EJAB CCOc1ccc(/C=C/C(=O)N2CCC[C@@H]2c2cccs2)cc1 32988689 GZWRMYTWCKAQTL-XLNAKTSKSA-N 327.449 4.524 0 40 EJAB OC1=Nc2nc(N3CCCCC3)sc2[C@@H](c2c(F)cccc2F)C1 36358609 LHZUWAFONVIJAX-SNVBAGLBSA-N 349.406 4.535 0 40 EJAB O=C(CCCOc1cccc2ccccc12)Nc1nc2ccccc2[nH]1 40108598 TTYWHRCUZMQZGS-UHFFFAOYSA-N 345.402 4.514 0 40 EJAB Cc1ccc(NC(=O)COc2ccc(C(C)C)cc2)c2cccnc12 41156797 BMVFMODMHWIDPN-UHFFFAOYSA-N 334.419 4.684 0 40 EJAB Cc1ccc(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)n[nH]2)cc1 44837768 RJZUWIUWCPKXHG-UHFFFAOYSA-N 345.324 4.656 0 40 EJAB CCOC(=O)c1ccc(NC(=O)Nc2ccc(C(C)C)cc2)cc1 51354265 JDAVPCCAHFZYNF-UHFFFAOYSA-N 326.396 4.631 0 40 EJAB Cc1ccc(NC(=S)Nc2cccc(OC(F)(F)F)c2)cc1F 71760893 PIOCFTIITUQZAH-UHFFFAOYSA-N 344.333 4.842 0 40 EJAB Cc1nnc([C@H](C)N[C@H](C)c2ccc(Oc3ccccc3)c(F)c2)o1 79029699 YTXZRSFELDYRJF-OLZOCXBDSA-N 341.386 4.721 0 40 EJAB C[C@H](N[C@H](CO)c1ccc(Cl)c(F)c1)c1ccc(Cl)cc1 92769334 IAUZZTXZEUXUMU-MGPLVRAMSA-N 328.214 4.517 0 40 EJAB COCc1nc(CS[C@H](C)c2ncc(-c3ccccc3)o2)cs1 97014845 AJMGWWBQOJEZOO-GFCCVEGCSA-N 346.477 4.939 0 40 EJAB O=C(c1ccccc1F)N1[C@H]2CC[C@H]1CC(c1ccc(F)cc1)C2 100166246 VZCVELBUYMRCFD-IRXDYDNUSA-N 327.374 4.516 0 40 EJAB C[C@@H]1Cc2ccccc2N1C(=O)Cc1ccc(-c2ccccc2)cc1 224978856 SBDJPUOMDMWXSV-QGZVFWFLSA-N 327.427 4.874 0 40 EJAB Cc1cc(C)c(C)c(O[C@H](Cc2cc(Cl)ccc2C)C(=O)O)c1 225077839 CXKVHVKODLMRJT-GOSISDBHSA-N 332.827 4.648 0 40 EJAB CC(C)Oc1ccc(CNC(=S)Nc2ccc(Cl)cc2)cc1 225445621 YRGQOUNTZXTQTC-UHFFFAOYSA-N 334.872 4.614 0 40 EJAB Cc1csc(-c2cc([C@H]3CCCN3C(=O)OC(C)(C)C)ccn2)n1 257300083 RSUMZQUIPPZGRY-OAHLLOKOSA-N 345.468 4.586 0 40 EJAB COC1(COc2cccc(Cl)c2)CCN(C2CCCCC2)CC1 585280846 AXCKAZNFUSWJTM-UHFFFAOYSA-N 337.891 4.533 0 40 EJAB Cc1cccn2cc(-c3cccc(NC(=O)c4cccs4)c3)nc12 203135 SSGPYQJUVFWFOY-UHFFFAOYSA-N 333.416 4.624 0 40 EJAB Cc1ccc(C(=O)COc2cccc(NC(=O)c3ccccc3)c2)cc1 993076 DLQIOLNAJAIONX-UHFFFAOYSA-N 345.398 4.509 0 40 EJAB COc1ccc(OC)c(C(c2cc(OC)ccc2OC)C(C)C)c1 1438679 QNUNWVXAPNOHRE-UHFFFAOYSA-N 330.424 4.509 0 40 EJAB O=c1cc(CN2CCCCCC2)c2cc(O)c(-c3ccccc3)cc2o1 2121978 IYFDPSFCUXUCPH-UHFFFAOYSA-N 349.430 4.542 0 40 EJAB biogenic COc1ccc(CNCC[C@@H](C(C)C)[C@@H]2CCOC(C)(C)C2)cc1 2157203 FGCOYXVIXSZYRW-QUCCMNQESA-N 333.516 4.652 0 40 EJAB biogenic O=C(c1ccccc1)c1ccc(C(=O)N2CCCc3ccccc32)cc1 3451359 GBAVJPXTGCOILK-UHFFFAOYSA-N 341.410 4.511 0 40 EJAB CC1(C)C[C@@]2(CCCN(CCC(=O)c3ccc(Cl)cc3)C2)CCO1 4834825 CBNWYLOCQPQBCR-HXUWFJFHSA-N 349.902 4.584 0 40 EJAB Cc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccccc2)cc1 4899001 OTBPYQYHGIVDQG-FOCLMDBBSA-N 338.410 4.865 0 40 EJAB CSc1ccc2nc(NC(=O)/C=C/c3cccs3)sc2c1 5299128 BKNBIYBADCGIEX-FNORWQNLSA-N 332.475 4.732 0 40 EJAB COc1ccc(-c2ncnc(C(F)(F)F)c2-c2ccccc2)c(O)c1 5388959 GJGPXFKFNFQCCC-UHFFFAOYSA-N 346.308 4.544 0 40 EJAB biogenic COc1ccc(-c2cc3n(c2)CCc2cc4c(cc2-3)OCCCO4)cc1 5425745 FXVCLKGNKWPCMK-UHFFFAOYSA-N 347.414 4.548 0 40 EJAB c1ccc(-c2cccc[n+]2C2c3ccccc3Oc3ccccc32)nc1 5595486 KUIQJDAXEAUWKJ-UHFFFAOYSA-N 337.402 4.780 0 40 EJAB c1ccc(OCCN2CCC(c3nc4ccccc4s3)CC2)cc1 9577532 RMBWLGOVNFZDCT-UHFFFAOYSA-N 338.476 4.555 0 40 EJAB Cc1cc(NC(=O)c2sc3ccccc3c2Cl)n(C(C)C)n1 11695171 ZJAUHCHEQVRYCI-UHFFFAOYSA-N 333.844 4.893 0 40 EJAB CCc1ccccc1NC(=O)CCc1c(C)c2ccc(C)cc2oc1=O 12977882 JGZMQXRPKAVAGB-UHFFFAOYSA-N 349.430 4.544 0 40 EJAB Cc1cc(OCC(=O)N[C@H]2CCCC[C@H]2C)c(C(C)C)cc1Cl 13062807 FUVRSPZLXVQVES-DYVFJYSZSA-N 337.891 4.846 0 40 EJAB O=C(Cc1ccccc1)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 14242163 ZROMNJWMGYIBFX-NRFANRHFSA-N 335.834 4.788 0 40 EJAB C[C@@H](NC(=O)c1ncc(Cl)c(Cl)c1Cl)c1ccccc1 16024216 DAJZKWXQAAJDIN-MRVPVSSYSA-N 329.614 4.533 0 40 EJAB Cc1cc([C@@H]2CCCCCN2Cc2ccc(OC(C)C)cc2)on1 19120276 LXHREPMXNYPQRV-IBGZPJMESA-N 328.456 4.888 0 40 EJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N1CCc2ccccc2C1 20105618 XLHKEBZGCQVRKT-OAQYLSRUSA-N 345.442 4.582 0 40 EJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1c(F)cccc1F 20456216 RSHOZDPRVZRGFK-SFHVURJKSA-N 341.357 4.914 0 40 EJAB Cc1ccccc1Nc1nn(-c2ccccc2)c2c1C(=O)C[C@H](C)C2 20671976 YVNVOYCEYHJSHN-CQSZACIVSA-N 331.419 4.689 0 40 EJAB COc1ccc(-c2csc(NCCc3cccs3)n2)cc1F 22310110 GNKTVUYMGUHLHR-UHFFFAOYSA-N 334.441 4.674 0 40 EJAB Cc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cn1 23080689 JIGRIJHPFIOTRZ-UHFFFAOYSA-N 345.427 4.919 0 40 EJAB Clc1ccc2c(Oc3ccc(Br)cc3)ncnc2c1 23199747 YOHDNWQWJIKZNX-UHFFFAOYSA-N 335.588 4.838 0 40 EJAB COc1ccc(C(=O)N(Cc2ccco2)c2ccc(C)cc2)cc1F 23298975 PKELNQVQUUUZMA-UHFFFAOYSA-N 339.366 4.583 0 40 EJAB COc1ccc(NC(=O)CCOc2ccccc2-c2ccccc2)cc1 24840508 NDVVQXCSQWSMHT-UHFFFAOYSA-N 347.414 4.770 0 40 EJAB Nc1c(C(=O)c2ccccc2)sc2nc(-c3cccs3)ccc12 27084333 VLMPYPADLAKYNQ-UHFFFAOYSA-N 336.441 4.838 0 40 EJAB C[C@H](NCc1ccc(Cl)s1)c1ccc(NC(=O)C2CC2)cc1 28925511 CRXHIPAGZPAZHK-NSHDSACASA-N 334.872 4.601 0 40 EJAB c1ccc(COc2cccc(CN[C@@H]3CCCc4ccccc43)c2)nc1 30543926 IDSINAZBLOBNQJ-HSZRJFAPSA-N 344.458 4.828 0 40 EJAB O=C(CC1CCCCC1)Nc1ccc(-c2cn3c(n2)CCCC3)cc1 40156356 HXOHARYNADDBSL-UHFFFAOYSA-N 337.467 4.795 0 40 EJAB Cc1cc(Nc2ccc(F)cc2)n2nc(-c3ccccc3)c(C)c2n1 40216628 JUFMYSRUGRXVHG-UHFFFAOYSA-N 332.382 4.896 0 40 EJAB CCc1cc2c(N[C@@H](c3ccccc3)[C@H]3CCCO3)ncnc2s1 58217487 NVDDZKKWHPNRQN-SJORKVTESA-N 339.464 4.586 0 40 EJAB CC(C)[C@@H]1CCCN1C(=O)c1ccc2noc(-c3ccccc3)c2c1 58406859 HFZQETCTAGYNFG-IBGZPJMESA-N 334.419 4.755 0 40 EJAB Cc1nc(C(C)(C)C)sc1C(=O)NCC(C)(C)c1ccccc1F 60338136 OEPZPQVHMDSSOU-UHFFFAOYSA-N 348.487 4.596 0 40 EJAB Cc1cccc(C)c1NC(=O)NCCc1nc(-c2ccccc2)oc1C 71855121 KSUSLXUFBGEMSP-UHFFFAOYSA-N 349.434 4.631 0 40 EJAB CCc1ccc([C@H](C)NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 78458647 RVYDBGIOLOSCSB-AWEZNQCLSA-N 345.870 4.937 0 40 EJAB Clc1cccc(-c2nc(CN3CC[C@@H](c4ccccc4)C3)co2)c1 84525549 JTKDDUAFOXBGTQ-QGZVFWFLSA-N 338.838 4.985 0 40 EJAB CC(C)Nc1cccc(F)c1NCc1csc([C@@H]2CCCO2)n1 97233467 QKTHILBTDHHCEG-HNNXBMFYSA-N 335.448 4.566 0 40 EJAB CC(C)C[C@H](NC(=O)CSCc1ccccc1F)c1ccccc1 222710031 UNDRFXGGIZOAAF-IBGZPJMESA-N 345.483 4.963 0 40 EJAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)N[C@@H](C)c1ccc(C)c(C)c1 222971734 GJGSVPUNJIESAI-AZUAARDMSA-N 339.479 4.955 0 40 EJAB C[C@H](Oc1ccc2ccccc2c1)C(=O)NC[C@H](C)c1ccccc1 224284806 NKILOYMNVIZFNB-IRXDYDNUSA-N 333.431 4.527 0 40 EJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NC(C)(C)CC(C)(C)C 224443448 LOUUYNUXXPAMMF-OAHLLOKOSA-N 325.880 4.828 0 40 EJAB Cc1ccc(-n2nc(C(F)(F)F)c(-c3ccc(F)cc3)c2N)cc1 225179570 GRVLVRXJGHGQFH-UHFFFAOYSA-N 335.304 4.588 0 40 EJAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)Cc1ccccc1Cl 225440401 BIPCVQLTRLOUDI-QGZVFWFLSA-N 343.854 4.610 0 40 EJAB CCCOc1ccc(NC(=O)[C@@]2(OCCC)CCC[C@H](C)C2)cc1 225660940 JSIXJUKIYIMVGB-OXJNMPFZSA-N 333.472 4.789 0 40 EJAB CCc1nc2cc(C(=O)Nc3cccc(Cl)c3Cl)ccc2n1C 225896619 XVXHLEVCJMPSOZ-UHFFFAOYSA-N 348.233 4.695 0 40 EJAB C[C@@H](O)c1cccc(NC(=O)c2cccc(OCc3ccccc3)c2)c1 226274464 BCSCJOQOYNIYQU-MRXNPFEDSA-N 347.414 4.571 0 40 EJAB COc1cccc(NC(=O)[C@H]2[C@H]3CC/C=C/CC/C=C\CC[C@H]32)c1 252430949 VDKNMAMLBHJZFZ-GJWOWPOSSA-N 325.452 4.963 0 40 EJAB COc1cccc(NC(=O)C2[C@@H]3CCC=CCCC=CCC[C@@H]23)c1 252630688 VDKNMAMLBHJZFZ-LEAGNCFPSA-N 325.452 4.963 0 40 EJAB C[C@@H](SCc1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1 408771107 DFDJYYFCPOKUIM-GFCCVEGCSA-N 339.382 4.966 0 40 EJAB Cc1nc([C@H](C)Nc2ccc(-c3cn4ccccc4n3)cc2)cs1 561786218 NSYKIBFGTMSSBU-ZDUSSCGKSA-N 334.448 4.939 0 40 EJAB CCc1ccc(OCc2nnc(SCc3ccc(F)cc3)o2)cc1 418605 AZMGPDLEQGOHCH-UHFFFAOYSA-N 344.411 4.642 0 40 EJAB Cc1c(Cl)cccc1NC(=O)COc1ccc(C(C)(C)C)cc1 574415 KVWUGNUNCSEBSZ-UHFFFAOYSA-N 331.843 4.963 0 40 EJAB Fc1ccc([C@H]2C[C@H](c3cccc4ccccc34)n3ncnc3N2)cc1 803102 CVFMKIFBLUUWFW-WOJBJXKFSA-N 344.393 4.717 0 40 EJAB CC(=O)Nc1ccc2c(c1)[C@@H](N1CC3CCC(CC3)C1)c1ccccc1-2 1569621 XINRDXSLRJXVSV-OCJFHSIUSA-N 346.474 4.837 0 40 EJAB CSc1ccccc1C(=O)Nc1nc(-c2ccccc2)cs1 3480817 GLLSACCVQDMDPA-UHFFFAOYSA-N 326.446 4.784 0 40 EJAB COc1ccc(Nc2nnc(SCc3ccccc3F)s2)cc1 3500499 SLWHIDZOKHXHAD-UHFFFAOYSA-N 347.440 4.722 0 40 EJAB Cc1ccc(Cl)cc1NC(=O)COc1cccc2ccccc12 4666187 QDMGPWITCJSFPT-UHFFFAOYSA-N 325.795 4.819 0 40 EJAB CC[C@H](NC(=O)COc1ccc(Cl)c(C)c1)c1ccc(C)cc1 5779091 RHOFZQLJKPRFAW-SFHVURJKSA-N 331.843 4.603 0 40 EJAB O=C(NCCc1ccc(Cl)cc1)C1c2ccccc2-c2ccccc21 5938050 VZICPBNVAPCOBK-UHFFFAOYSA-N 347.845 4.811 0 40 EJAB O=C(NCCc1ccc(F)cc1)c1cccc(Oc2ccccc2)c1 6305359 AVFUFMZLTMAKEI-UHFFFAOYSA-N 335.378 4.591 0 40 EJAB CN(C(=S)NC1CCCCC1)C(c1ccccc1)c1ccccc1 6905701 PNTXDHGJCVMCNJ-UHFFFAOYSA-N 338.520 4.915 0 40 EJAB COc1cccc(C(=O)N(C)C(c2ccccc2)c2ccccc2)c1 7800352 JXELLGXXXMFUQX-UHFFFAOYSA-N 331.415 4.557 0 40 EJAB COc1ccc2cc([C@H](C)C(=O)NC3CCCCCC3)ccc2c1 8133555 XHQNDRIMOBHPIT-HNNXBMFYSA-N 325.452 4.791 0 40 EJAB Cc1cccc(-c2nnc(NC(=O)Nc3cccc(Cl)c3)s2)c1 8739939 LRPFHJVRELDRKI-UHFFFAOYSA-N 344.827 4.811 0 40 EJAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2cccc3ccc(C)nc23)c1 11917461 POYCDYQBRYAENN-MRXNPFEDSA-N 334.419 4.566 0 40 EJAB Cc1c(Cl)cccc1NC(=O)[C@@H](C)Nc1ccc2c(c1)CCC2 12554940 CJXYYTIXNUVPDW-CYBMUJFWSA-N 328.843 4.576 0 40 EJAB Cc1ccccc1NC(=O)Cc1nc(-c2ccc(F)cc2F)cs1 12599359 VIJBORZZZCCHRX-UHFFFAOYSA-N 344.386 4.578 0 40 EJAB CCn1c(NC(=O)c2oc3c(F)cccc3c2C)nc2ccccc21 12627281 UWLUJUQTUJMDBU-UHFFFAOYSA-N 337.354 4.502 0 40 EJAB C[C@@H](Oc1ccc(F)cc1)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 12947545 AAVRHBDEERLXEG-KZULUSFZSA-N 347.817 4.514 0 40 EJAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)N1CCCc2ccccc21 13708783 ATKKFEQKKVCNMR-MRXNPFEDSA-N 331.415 4.587 0 40 EJAB CC(C)(C)c1nnc2sc(C(c3ccccc3)c3ccccc3)nn12 13945092 KWPJTQCTOHAIFU-UHFFFAOYSA-N 348.475 4.664 0 40 EJAB C[C@@H](c1ccccc1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 20444400 YFARKOXLNOAESC-AWEZNQCLSA-N 335.278 4.877 0 40 EJAB CC(C)COc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)cc1 21149716 ODLJQJJELQJYMS-ZDUSSCGKSA-N 344.480 4.555 0 40 EJAB CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cccc2ncccc12 22020485 WTUBOPDZCORWQD-UHFFFAOYSA-N 345.229 4.814 0 40 EJAB Cc1cccc(C)c1NC(=O)c1ccc(CSc2ncccn2)cc1 32117656 VMYRDNWYADHZGQ-UHFFFAOYSA-N 349.459 4.638 0 40 EJAB CC(C)C(=O)Nc1cccc(NC(=O)Nc2ccccc2Cl)c1 51351663 OQXRHNSIYJQPEJ-UHFFFAOYSA-N 331.803 4.579 0 40 EJAB Cc1cc(CNc2nccc(C(F)(F)F)n2)c2[nH]c(C)c(C)c2c1 58032443 NYUPQWCQCRMPAQ-UHFFFAOYSA-N 334.345 4.514 0 40 EJAB CC(C)c1csc(C2CCN(C(=O)CCc3cccs3)CC2)n1 69663153 AYVFXNHDZSIXEV-UHFFFAOYSA-N 348.537 4.667 0 40 EJAB Fc1ccc(NC(=S)Nc2cccc(OC(F)(F)F)c2)cc1 71760855 CZSKNIKDQFAHQW-UHFFFAOYSA-N 330.306 4.533 0 40 EJAB Cc1cc(Cl)ccc1OCC(=O)OCCC1=CC[C@@H]2C[C@@H]1C2(C)C 104176785 DUFSSFCFZDQJII-WBVHZDCISA-N 348.870 4.953 0 40 EJAB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)CCC[C@H]4[C@@H]3C(=O)C[C@H]2C1 118925273 KLFLXXSXHKVJTP-HAFCSRAXSA-N 332.484 4.530 0 40 EJAB CC(C)Cn1c(SCc2ccccc2F)nc2ccsc2c1=O 206596491 VTNACJOMTTUMOW-UHFFFAOYSA-N 348.468 4.545 0 40 EJAB Cc1cc(C(=O)N2CCS[C@H](c3ccccc3Cl)CC2)c(C)o1 206993024 UCMFWOSIKAFFKL-KRWDZBQOSA-N 349.883 4.870 0 40 EJAB CSc1ccccc1C(=O)N1CCS[C@@H](c2ccccc2)CC1 208040441 GICIYPSUIZHGDJ-QGZVFWFLSA-N 343.517 4.729 0 40 EJAB Cc1ccc(OCCCC(=O)NCc2ccc3ccccc3c2)cc1 222781633 LREKPSFQUHFSPL-UHFFFAOYSA-N 333.431 4.624 0 40 EJAB CC[C@H](NC(=O)c1ccccc1SC)c1ccc(OC)c(C)c1 224458712 PGJWZVJVWHTDQV-INIZCTEOSA-N 329.465 4.607 0 40 EJAB CC1(C)C[C@H](NC(=O)C2(c3ccccc3)CCCC2)c2ccccc2O1 225303982 HXHABJHBWFGMEI-IBGZPJMESA-N 349.474 4.917 0 40 EJAB COc1ccccc1CCCNC(=S)Nc1ccc(C(C)C)cc1 225549110 UTEHFKVZQPUKPM-UHFFFAOYSA-N 342.508 4.738 0 40 EJAB Cc1ccc(C(=O)Nc2cc(-c3ccc(C(=O)O)o3)ccc2C)cc1 226356029 ZPEUREQJCLYNAE-UHFFFAOYSA-N 335.359 4.514 0 40 EJAB COc1ccc2c(c1)Cc1sc(=Nc3ccccc3Cl)[nH]c1-2 408886316 GCCIUGMUVVXOCY-UHFFFAOYSA-N 328.824 4.542 0 40 EJAB CCOc1ccc(-c2cc(OCC)c3c(C)oc(C)c3c(=O)c2)cc1 111958 ZNNZRWUZFJQVJD-UHFFFAOYSA-N 338.403 4.874 0 40 EJAB biogenic O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1c(F)cccc1F 180445 IBLFWLSRAZRXTA-UHFFFAOYSA-N 349.340 4.760 0 40 EJAB Cc1ccccc1C(=O)Nc1cccc(-c2nc3ncccc3o2)c1C 184340 SBGVWPZDUIRXRD-UHFFFAOYSA-N 343.386 4.759 0 40 EJAB CCOc1c(Cl)cc(-c2nc3ccccc3c(=O)o2)cc1Cl 367786 UCARQHQAZVZTAC-UHFFFAOYSA-N 336.174 4.561 0 40 EJAB FC(F)(F)Oc1ccc(Nc2ncnc3cc(Cl)ccc23)cc1 1387053 VATWZTCCHSNBLA-UHFFFAOYSA-N 339.704 4.925 0 40 EJAB O=C(CCc1ccc(F)cc1)c1ccc(Br)cc1F 2517402 NQLWHFUZHWGIBW-UHFFFAOYSA-N 325.152 4.543 0 40 EJAB C[C@@H](Cc1ccccc1)NCCCCCN[C@H](C)Cc1ccccc1 3058793 VYPSZCHCIAMVOW-OYRHEFFESA-N 338.539 4.598 0 40 EJAB CC(=O)c1cccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)c1 3345227 PZDHKCUJNXLREZ-UHFFFAOYSA-N 341.838 4.993 0 40 EJAB CCc1nc2ccc(C(=O)Nc3c(C)cc(C)cc3C)cc2nc1CC 3383268 LRSIFFDZGAMCQS-UHFFFAOYSA-N 347.462 4.932 0 40 EJAB CCOC(=O)c1sc(Nc2nc3c(OC)cccc3s2)cc1C 4137639 VWPXFTDGVDDMAU-UHFFFAOYSA-N 348.449 4.595 0 40 EJAB O=C(COc1ccc2c(c1)CCC2)Nc1ccc(SC(F)F)cc1 6336055 NAULPFQWZVNUKZ-UHFFFAOYSA-N 349.402 4.508 0 40 EJAB COc1ccc(OC)c(NC(=O)c2oc3cc(C)c(C)cc3c2C)c1 6826279 NHNLPDBDOJBGJO-UHFFFAOYSA-N 339.391 4.628 0 40 EJAB CCCOc1ccc(C(=O)Nc2ccc(CN(CC)CC)cc2)cc1 6880911 QMYQFDCNMMRVHW-UHFFFAOYSA-N 340.467 4.570 0 40 EJAB CCCCCCNCc1ccc(OCCc2ccccc2)c(OC)c1 7261006 XLWSYVUBIAFNFY-UHFFFAOYSA-N 341.495 4.987 0 40 EJAB O=C(CSc1c(Cl)cccc1Cl)NCc1ccccc1F 7400113 PAZYLVLXFKNECO-UHFFFAOYSA-N 344.238 4.541 0 40 EJAB CCOc1ccc(-c2cc(-c3nc(-c4ccc(C)cc4)no3)[nH]n2)cc1 8603009 SUJSTLYCEVEFPS-UHFFFAOYSA-N 346.390 4.501 0 40 EJAB Cc1ccc(-c2noc(CCCC(=O)Nc3cccc(C)c3C)n2)cc1 9196471 USFSTIXOGKYTJG-UHFFFAOYSA-N 349.434 4.623 0 40 EJAB Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)cc1 10429973 CTGKEEQPUALICP-INIZCTEOSA-N 340.492 4.715 0 40 EJAB Cc1cccc(CN[C@H](Cc2ccsc2)c2nc(C)c(C)s2)n1 19236348 IMFRSGBKUISELU-QGZVFWFLSA-N 343.521 4.598 0 40 EJAB CC[C@H](C)c1ccccc1O[C@H](CC)C(=O)Nc1cc(N)ccc1C 19736726 PBYZPQVAQPNFDE-IFXJQAMLSA-N 340.467 4.887 0 40 EJAB Cc1nc(C)c(C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)s1 32969236 GVYROFDTTVYBKA-ZETCQYMHSA-N 329.252 4.558 0 40 EJAB FC(F)(F)c1cccc(C2=NCc3ccccc3-n3cccc32)c1 38193836 YGIMYPSDRLYJNE-UHFFFAOYSA-N 326.321 4.847 0 40 EJAB C[C@@H](O)[C@@H](Cc1ccc(Cl)cc1)c1cccc(Br)c1 38878936 JZWMKTOFZFXAJB-BDJLRTHQSA-N 339.660 4.810 0 40 EJAB O=C(Nc1ccc(Cl)cc1)c1cc(-c2ccc(Cl)cc2)[nH]n1 40478270 IHAOJQJOSHJHNE-UHFFFAOYSA-N 332.190 4.636 0 40 EJAB Cc1nc2ccc(NC(=O)N3CCC[C@@H]3c3ccccc3)cc2s1 43375737 NQKCOEKOXTUKDL-QGZVFWFLSA-N 337.448 4.974 0 40 EJAB Fc1cccc(-c2nc(CN3CCC[C@@H]3c3ccsc3)co2)c1 46088971 IMNLAHMKGPIBCB-QGZVFWFLSA-N 328.412 4.879 0 40 EJAB Cc1cc2oc(=O)cc(CN[C@@H](C)c3ccc(Cl)cc3)c2cc1C 57553983 ZHZQEWZNRYAAFW-AWEZNQCLSA-N 341.838 4.914 0 40 EJAB Cc1ccc(NC(=O)NCCc2csc(C(C)C)n2)c(Cl)c1 58305161 ITWDVUGLWDYYRD-UHFFFAOYSA-N 337.876 4.593 0 40 EJAB CN(C(=O)c1ccc(Cl)nc1Cl)c1cccc2ccccc12 60246080 IOAMQVGMRPSKAK-UHFFFAOYSA-N 331.202 4.818 0 40 EJAB COc1ccc(NC(=S)Nc2cccc3c2CCCC3)cc1F 71325877 HENGUQWHSQTWFA-UHFFFAOYSA-N 330.428 4.522 0 40 EJAB Fc1ccc(NC(=S)Nc2cccc(OC(F)(F)F)c2)cc1F 71760861 NRYWAOATKIFFRF-UHFFFAOYSA-N 348.296 4.672 0 40 EJAB Cc1nc(NC(=O)c2ccc(Oc3cccc(F)c3)o2)sc1C 96183896 OAEYPCYLILCWGZ-UHFFFAOYSA-N 332.356 4.537 0 40 EJAB Cc1ccccc1/C=C1/SC(=O)N(c2cccc(Cl)c2)C1=O 210197814 URNBJVVPYDKEMK-OQLLNIDSSA-N 329.808 4.889 0 40 EJAB CC(C)C[C@@H](NC(=O)COc1ccc(Cl)cc1)c1ccccc1 216136312 AVLPCZRSUDMYIW-GOSISDBHSA-N 331.843 4.622 0 40 EJAB CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc2c3c(cccc13)CC2 224617916 DSXKEIFQZONPRY-IBGZPJMESA-N 349.405 4.874 0 40 EJAB O=C(CCc1c(Cl)cccc1Cl)Nc1ccc(F)c(F)c1 225352427 OCMAFXXEDGCMQU-UHFFFAOYSA-N 330.161 4.843 0 40 EJAB CC[C@H](NC(=S)Nc1ccc(OC)c(Cl)c1)c1ccccc1 225479956 SKMNGEROXJWXIA-HNNXBMFYSA-N 334.872 4.786 0 40 EJAB CCOc1ccccc1C(=O)N[C@@H](c1ccsc1)c1cccs1 390827062 SUXPPXLJFMZZPT-KRWDZBQOSA-N 343.473 4.728 0 40 EJAB CCn1cc(C(=O)Nc2c(C)cc(C)cc2C)c(=O)c2cc(C)ccc21 408713262 QLGUZLTUUGGXDT-UHFFFAOYSA-N 348.446 4.507 0 40 EJAB Cc1ccc(C(=O)N2CCC[C@@H]2COc2ccc(Cl)cc2)c(C)c1 1540513752 TUJFJUGSDSUOSU-QGZVFWFLSA-N 343.854 4.640 0 40 EJAB CC(C)(C)c1nn([C@H]2CCCCO2)c2cc(Br)ccc12 2086896704 QSMMLSXVTLUETM-CQSZACIVSA-N 337.261 4.795 0 40 EJAB CC(=O)c1cccc(NC(=O)C(c2ccccc2)c2ccccc2)c1 509957 AUJHAADFUCFEDX-UHFFFAOYSA-N 329.399 4.660 0 40 EJAB CC(C)Cc1nc2sc3c(Cl)ncnc3c2c2c1CCCC2 535156 OTPRCMWLHIERAI-UHFFFAOYSA-N 331.872 4.970 0 40 EJAB O=S(=O)(Nc1ccc(-c2ccc(Cl)cc2)cc1)c1ccccc1 1621482 GOKCBVHXMAHNRD-UHFFFAOYSA-N 343.835 4.808 0 40 EJAB CCC(CC)C(=O)Nc1nnc(-c2ccc(Cl)cc2Cl)s1 4072426 YWFNEXNOVUZAHA-UHFFFAOYSA-N 344.267 4.887 0 40 EJAB COc1ccccc1-n1cnnc1SCc1cccc2ccccc12 4894933 DEQNQWBVPLZILU-UHFFFAOYSA-N 347.443 4.721 0 40 EJAB O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1OC(F)F 6153051 PINUBEQCVBLEON-UHFFFAOYSA-N 331.240 4.559 0 40 EJAB COCc1c(C(=O)Nc2cc(F)ccc2C)sc2cccc(F)c12 6789174 WUPHVTSSDDNUHC-UHFFFAOYSA-N 347.386 4.887 0 40 EJAB CC1=C(c2sc(-c3ccccc3)nc2-c2cccs2)C(=O)OC1 7006602 PKPFSGGSMMWTEE-UHFFFAOYSA-N 339.441 4.869 0 40 EJAB CCCCCNCc1ccc(OCc2cccc(C)c2)c(OC)c1 7261285 VEQVUJQPTWJJSN-UHFFFAOYSA-N 327.468 4.862 0 40 EJAB COc1cc(CNC2CCCC2)cc(Cl)c1OCc1ccccc1 8470335 ZVQIBONSJTUSLH-UHFFFAOYSA-N 345.870 4.960 0 40 EJAB O=C(Cc1ccc(Cl)s1)Nc1ccc2c3c(cccc13)CC2 10061073 GMFPRAJZLDOVDF-UHFFFAOYSA-N 327.836 4.835 0 40 EJAB O=C(Nc1ccc(Cl)cc1)c1cccnc1SCC(F)(F)F 12863699 FUKIZOXMMDXPFL-UHFFFAOYSA-N 346.761 4.642 0 40 EJAB CCc1ccc(NC(=O)c2sc(-c3ccsc3)nc2C)cc1 12980490 HHOUQSYSSKPFRK-UHFFFAOYSA-N 328.462 4.995 0 40 EJAB CCn1c(Cc2cccs2)nnc1SCc1ccccc1C 14112953 MPDCFGIADDLAII-UHFFFAOYSA-N 329.494 4.551 0 40 EJAB O=C(Nc1ccccc1)c1ccccc1OC[C@H]1CC1(Cl)Cl 14858065 KXMOXPCQIQDYLG-GFCCVEGCSA-N 336.218 4.512 0 40 EJAB Fc1ccccc1COc1cccc(CNCCc2ccccc2)c1 16479384 DLCYZVAFLBNZCF-UHFFFAOYSA-N 335.422 4.737 0 40 EJAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CCOc1cccc(F)c1 30215419 QEVLIEWFDBJEEG-AWEZNQCLSA-N 341.382 4.560 0 40 EJAB CCc1ccccc1O[C@@H](C)C(=O)N[C@H](CC(C)C)c1ccccc1 30856359 HAKCRJYOPQKFLR-FXAWDEMLSA-N 339.479 4.920 0 40 EJAB COC(=O)c1cc(Nc2ccc(C)c(F)c2)c2cc(Cl)ccc2n1 38486601 NNJCDGGTAHJDOZ-UHFFFAOYSA-N 344.773 4.866 0 40 EJAB CC[C@H](NC(=O)[C@H](C)Oc1cc(C)cc(C)c1)c1ccc(C)cc1 59351762 RGUFYOJJJDOGQT-PXNSSMCTSA-N 325.452 4.647 0 40 EJAB Fc1cccc(Cc2cccc([C@@H]3CCCN3Cc3ccncc3)n2)c1 72357669 QSVDZCPLUKSPIP-QFIPXVFZSA-N 347.437 4.544 0 40 EJAB Cc1csc(C2(NCc3nc(-c4ccco4)oc3C)CCCC2)n1 83215876 UJCVICASSHGNBR-UHFFFAOYSA-N 343.452 4.567 0 40 EJAB O=C(NCc1cc2ccccc2o1)c1cc2ccccc2c(Cl)n1 89873051 RQXIEQREKCIDHB-UHFFFAOYSA-N 336.778 4.564 0 40 EJAB CC[C@@H](C)Sc1ccc(NC(=O)N[C@@H](C)c2ccon2)c(C)c1 96004122 QIWBKQIXOWNPLG-OLZOCXBDSA-N 333.457 4.756 0 40 EJAB CC[C@@H](NC(=O)CCc1ccc(OC)c(C)c1)c1ccccc1C 224462081 MZXKWHIADYECPA-LJQANCHMSA-N 325.452 4.512 0 40 EJAB CCc1ccc(CC(=O)N[C@@H](CC(C)C)c2ccc(OC)cc2)cc1 224697808 BIWQTQCRCWCDOG-NRFANRHFSA-N 339.479 4.704 0 40 EJAB O=C(O)[C@@H](Cc1cccc(Cl)c1)Oc1cccc2ccccc12 225059707 XVNVUYOAWOCDFZ-GOSISDBHSA-N 326.779 4.568 0 40 EJAB O=C(NCCCc1ccccc1Cl)C1(c2ccccc2)CCCC1 225623563 COZHDVUIAUWEOP-UHFFFAOYSA-N 341.882 4.901 0 40 EJAB O=C(NCCc1ccc(-c2ccoc2)s1)c1ccc(Cl)s1 390828838 BXJMEJBBENSBFY-UHFFFAOYSA-N 337.853 4.696 0 40 EJAB CC(C)c1cccc(NC(=O)N(C)C[C@@H]2OCCc3ccccc32)c1 513934209 RKDJLJUENXVNPZ-FQEVSTJZSA-N 338.451 4.588 0 40 EJAB OC(Cc1nccc2ccccc12)(c1ccccc1)c1ccccc1 1683655 WWOCFHWPXHWHBM-UHFFFAOYSA-N 325.411 4.713 0 40 EJAB O=C(COC(=O)c1c(F)cccc1Cl)c1ccc2ccccc2c1 2643430 OJWKUQXDIFZCRG-UHFFFAOYSA-N 342.753 4.672 0 40 EJAB Cc1nc(C(F)(F)F)c(C(=O)N[C@@H](C)c2ccc(Cl)cc2)s1 3047037 YKCSZJDOGLOBFD-ZETCQYMHSA-N 348.777 4.615 0 40 EJAB CCc1ccc(N2C[C@H](c3nc4ccccc4n3C(C)C)CC2=O)cc1 4033273 LWAHWRYZQQKHCM-QGZVFWFLSA-N 347.462 4.700 0 40 EJAB CCCCC(=O)N(c1nnc(-c2ccc(OCC)cc2)s1)C(C)C 4982621 MDYUECWNNOCBHJ-UHFFFAOYSA-N 347.484 4.535 0 40 EJAB CCOc1ccccc1NC(=O)[C@H](Nc1ccccc1)c1ccccc1 5118951 XSFJJYWMQUSDFN-OAQYLSRUSA-N 346.430 4.877 0 40 EJAB CC[C@@H](C)c1ccc(-c2csc(NC(=O)c3ccncc3)n2)cc1 5579083 DSOYCRPSNAXLGZ-CYBMUJFWSA-N 337.448 4.971 0 40 EJAB C[C@@H](Oc1ccccc1Cl)C(=O)Nc1cccc2ccccc12 5862010 KOXGOSUWJMNXPE-CYBMUJFWSA-N 325.795 4.899 0 40 EJAB C[C@H](Sc1ncnc2sccc12)C(=O)c1ccc2c(c1)CCC2 6115342 LWGYAVYTSAZNIU-NSHDSACASA-N 340.473 4.544 0 40 EJAB Cc1nc2ccc(OC(=O)c3ccc4ccccc4c3)cc2nc1C 6280112 KZHGBCODVZFDEK-UHFFFAOYSA-N 328.371 4.619 0 40 EJAB COc1ccc(Nc2ccccc2NC(=O)Cc2ccsc2)cc1 6650467 IJIWJLADFYZILN-UHFFFAOYSA-N 338.432 4.682 0 40 EJAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(Cl)c(Cl)c1 8041319 CMLVPXAGDSGHIE-CQSZACIVSA-N 342.197 4.929 0 40 EJAB Oc1ccccc1-c1cc(C(F)(F)C(F)F)nc(-c2ccccc2)n1 13129919 QRDUPZWKIMRACK-UHFFFAOYSA-N 348.299 4.873 0 40 EJAB aggregator Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(F)cc1 14257891 QMQAUPRJMFHXGQ-UHFFFAOYSA-N 345.377 4.930 0 40 EJAB COc1c(C)cccc1C(=O)Nc1ccc(N2CCCC[C@@H]2C)cc1 14268984 BOHIFHQXCBDHMP-INIZCTEOSA-N 338.451 4.635 0 40 EJAB COc1ccc(-c2ccc(CCC(=O)Nc3ccccc3C)o2)cc1 15867389 YHPLKGSJUXUKDX-UHFFFAOYSA-N 335.403 4.835 0 40 EJAB Clc1ccc([C@@H]2[C@@H](NCc3cccnc3)[C@H]3CCCC[C@H]32)cc1 19339696 VFLJBQSLKAAEQO-FYQPLNBISA-N 326.871 4.797 0 40 EJAB C[C@@]1(C(=O)Nc2cccc(OC3CCCC3)c2)CC1(Cl)Cl 29070597 ZCLJMMFEXIDGHR-HNNXBMFYSA-N 328.239 4.530 0 40 EJAB O[C@H](c1ccc(Br)cc1)c1ccc(Cl)c(Cl)c1 40243304 BYBWTNINVMXBIH-CYBMUJFWSA-N 332.024 4.838 0 40 EJAB Cc1ccc(NC(=S)Nc2cccc(CN3CCCC3)c2)cc1F 44132738 GVFIAQZNARGHQM-UHFFFAOYSA-N 343.471 4.539 0 40 EJAB O=C(CCCc1cccs1)Nc1cccc(C(=O)c2ccccc2)c1 58171158 USZOOWLBHYVKLE-UHFFFAOYSA-N 349.455 4.941 0 40 EJAB COc1cc(/C=C/C(=O)O)ccc1OCc1ccc(C(C)(C)C)cc1 62715776 WAWYEHFRGBFPHC-XYOKQWHBSA-N 340.419 4.670 0 40 EJAB O=C(Cc1ccccc1Cl)N(Cc1cccs1)CC(F)(F)F 74807635 PMHSIKRESYKMEE-UHFFFAOYSA-N 347.789 4.535 0 40 EJAB Cn1ccnc1-c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 79586945 GXZQXGHEORQYIV-UHFFFAOYSA-N 346.217 4.646 0 40 EJAB CC(C)c1ccc(CNc2cc(C[S@](C)=O)ccc2Cl)cc1 83141476 ZIXWSKZAISTPBR-JOCHJYFZSA-N 335.900 4.954 0 40 EJAB Cc1nc(-c2ccc(OC(=O)c3occc3-c3ccccc3)cc2)no1 84281499 QQMUGKJUPKJJCQ-UHFFFAOYSA-N 346.342 4.524 0 40 EJAB CCN(Cc1ccccn1)C(=O)Nc1cccc([C@H](C)SC)c1 84322640 GNUGGQOCFSRAEB-AWEZNQCLSA-N 329.469 4.560 0 40 EJAB C[C@@H]1CCCC[C@H]1OCCN1CCC(c2nc3ccccc3o2)CC1 84691959 LNKVEKLVCUJCFQ-VQIMIIECSA-N 342.483 4.603 0 40 EJAB CCCCC(=O)c1scc(Br)c1Br 85395006 JTPXXBZXEBHJDX-UHFFFAOYSA-N 326.053 4.646 0 40 EJAB CC(C)CCn1ccc2c(NC(=O)c3ccc(N[N+]#N)nc3)cccc21 95475866 ZRSOIJUSFVWWQB-UHFFFAOYSA-O 349.418 4.515 0 40 EJAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1ccc(C(C)C)cc1 107812679 SBKYTWOXCWSAJV-QGZVFWFLSA-N 342.464 4.578 0 40 EJAB C[C@H](SCc1ccccc1)C(=O)NCc1cccc2ccccc12 222827974 BCQIOCRYGYGKKU-INIZCTEOSA-N 335.472 4.778 0 40 EJAB CC[C@@H](NC(=S)Nc1ccc(C)cc1)c1ccc(OC)c(C)c1 225456958 VBLLEWGKIIPDLK-QGZVFWFLSA-N 328.481 4.750 0 40 EJAB CCCCOc1ccc(NC(=O)[C@]2(OC)CCC[C@H](C)C2)cc1C 225637511 DZSZSTUYYMTTSU-YWZLYKJASA-N 333.472 4.708 0 40 EJAB O=C(c1cccc(OCc2ccccc2)c1)C(F)(F)C(F)(F)F 309618223 VCLHRJUXWWWEKL-UHFFFAOYSA-N 330.252 4.646 0 40 EJAB CCOc1ccc(Br)cc1C(=O)Nc1ccccc1CC 408586624 OGVBYKPPCJSMDM-UHFFFAOYSA-N 348.240 4.663 0 40 EJAB CC(C)(C)c1ccc(CCNC(=O)c2ccc(C(F)(F)F)cc2)cc1 137956 PJHYWSZAWSLDEE-UHFFFAOYSA-N 349.396 4.975 0 40 EJAB Cc1cc(C)c(NC(=O)c2ccc(-n3nc(C)cc3C)cc2)c(C)c1 2654547 XTFRBEJDFCJPHJ-UHFFFAOYSA-N 333.435 4.667 0 40 EJAB Cc1ccc(F)cc1NC(=O)/C=C/c1cccc(Br)c1 3566454 ZERNEBRSIXBFHS-SOFGYWHQSA-N 334.188 4.549 0 40 EJAB Cc1ccccc1NC[C@@H](O)Cn1c2ccccc2c2ccccc21 3893659 ILHMWIUXYRUUHN-QGZVFWFLSA-N 330.431 4.576 0 40 EJAB O=C(C1CC1)N(Cc1ccccc1)c1nc(-c2ccccc2)cs1 4188704 FOINHSCTYXGAIY-UHFFFAOYSA-N 334.444 4.753 0 40 EJAB CCn1cc(NC(=O)NCc2ccc(Cl)cc2)c2ccccc21 5266062 PUQDHYFZUHZASW-UHFFFAOYSA-N 327.815 4.636 0 40 EJAB O=C(Nc1ncnc2sccc12)c1ccc(-c2ccccc2)cc1 5299389 QVKYSEFJZOOMEH-UHFFFAOYSA-N 331.400 4.611 0 40 EJAB O=C(Nc1cccc(C(F)(F)F)c1)NC12CC3CC(CC(C3)C1)C2 6220757 RGKCHEVIXUSLQD-UHFFFAOYSA-N 338.373 4.796 0 40 EJAB CCOc1ccc(NC(=O)c2cc3c(s2)CCCC3)cc1OCC 6259589 RXLVBWAHYRSUNZ-UHFFFAOYSA-N 345.464 4.677 0 40 EJAB O=C(O)c1cc(-c2ccc(Br)cc2)nc2ccc(F)cc12 6883566 CWOODRZOYJHYMP-UHFFFAOYSA-N 346.155 4.502 0 40 EJAB O=C(CSCc1ccc(F)cc1)Nc1ccc(C(F)(F)F)cc1 7146316 RGTIIAFMLASSTL-UHFFFAOYSA-N 343.345 4.716 0 40 EJAB COc1ccc(-c2nc(-c3ccc4c(c3)OCCCO4)cs2)cc1 8296888 ZWQJYSRXTBYNML-UHFFFAOYSA-N 339.416 4.647 0 40 EJAB Cc1ccc(CN2C(=O)c3ccccc3[C@@H]2c2c[nH]c3ccccc23)o1 9667295 FETXIOAAAZAQRV-OAQYLSRUSA-N 342.398 4.815 0 40 EJAB CSc1ccc(CC(=O)Nc2nc3c(Cl)cccc3s2)cc1 10252242 ANXBNHJOPUCMEM-UHFFFAOYSA-N 348.880 4.853 0 40 EJAB CCOc1ccccc1C(=O)Nc1cccc(OCc2ccccc2)c1 14783572 NHYKJDFISPRKPX-UHFFFAOYSA-N 347.414 4.917 0 40 EJAB Cc1ccc([C@H](C)NC(=O)CSCc2ccc(F)cc2)c(C)c1 22511558 VFGTYUPIWWAVLR-HNNXBMFYSA-N 331.456 4.553 0 40 EJAB CCOCc1cc(C(=O)Nc2cccc3ccccc23)ccc1OC 26939486 QVQWJUFCLTZQLJ-UHFFFAOYSA-N 335.403 4.637 0 40 EJAB COc1cccc(NC(=O)CS[C@H](C)c2ccccc2Cl)c1 33047579 HKLPTHHQDASADE-GFCCVEGCSA-N 335.856 4.782 0 40 EJAB COCc1ccccc1NC(=O)N[C@@H](c1cccs1)C1CCCC1 40105592 BITDWBSYOHCRGR-GOSISDBHSA-N 344.480 4.948 0 40 EJAB O=Cc1ccc(-c2ccc(Br)c(Br)c2)cc1 44563541 OTJKXDZPZQDDFB-UHFFFAOYSA-N 340.014 4.691 0 40 EJAB c1ccc(-c2ccc3oc(-c4ccc(-n5cnnc5)cc4)nc3c2)cc1 45920441 VRWRDUZNZYEODT-UHFFFAOYSA-N 338.370 4.743 0 40 EJAB CC(C)c1noc([C@@H](C)N2Cc3ccccc3[C@H](c3ccccc3)C2)n1 48326549 NRRWEHNEJWEKSD-UZLBHIALSA-N 347.462 4.902 0 40 EJAB O=C(/C=C/c1cccc(OCc2ccccc2)c1)Nc1ccc(O)cc1 60481280 DZNXHYBQDOIWNH-NTEUORMPSA-N 345.398 4.623 0 40 EJAB Cc1noc(C)c1NC(=O)N(C1CC1)[C@@H](C)c1ccc(Cl)cc1 71911828 GCXHXFLNCOXZLJ-NSHDSACASA-N 333.819 4.702 0 40 EJAB Cc1nn(C(C)C)c(C)c1NC(=O)c1ccc(Oc2ccccc2)o1 72260073 DFRKQOKIZYKQGD-UHFFFAOYSA-N 339.395 4.718 0 40 EJAB CSc1ccccc1NC(=O)c1cc(C)ccc1N(C)C(C)C 89611954 STKUMQFYILVJTR-UHFFFAOYSA-N 328.481 4.814 0 40 EJAB C[C@H](NC(=O)C1c2ccccc2-c2ccccc21)[C@H]1C[C@H]2CC[C@H]1C2 102347792 CRBVYEMBTIFLTN-VCAMNPENSA-N 331.459 4.740 0 40 EJAB CCc1ccc(O[C@@H](CC)C(=O)Nc2ccc(OC)c(Cl)c2)cc1 222877452 DXMDNPPWGPGFKQ-KRWDZBQOSA-N 347.842 4.707 0 40 EJAB CC(C)(C)c1ccc(-c2noc(-c3ccc(Cl)c(N)c3)n2)cc1 225172422 LKQWJULIFNKJBR-UHFFFAOYSA-N 327.815 4.937 0 40 EJAB CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC(C)C)c(C)c1 225700643 GLGJVNBMZFOFET-FQEVSTJZSA-N 335.488 4.954 0 40 EJAB O=C(NCc1ccnc(-c2ccsc2)c1)c1cccc2ccccc12 240122554 WCRPPYHYOUYVPW-UHFFFAOYSA-N 344.439 4.893 0 40 EJAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)c1cccc(OCc2ccccc2)c1 245228105 DJXJETVHGPUZGE-LLGFUMIMSA-N 337.463 4.820 0 40 EJAB CC(C)CC(=O)c1ccc(Br)cc1OC(F)(F)F 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CCc1cccc(C)c1NC(=O)c1cnn(-c2cccc(C)c2)c1C 29460416 HCJBNVBDYNPOTP-UHFFFAOYSA-N 333.435 4.612 0 40 EJAB O=C(Nc1ccnn1C1CCCCC1)c1cc(F)c(F)cc1Cl 32969277 QSAGKTLPMYFKQJ-UHFFFAOYSA-N 339.773 4.572 0 40 EJAB Cc1ccccc1O[C@@H](C)C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 38773031 PFJNIQZVOLMRBV-SJORKVTESA-N 339.479 4.937 0 40 EJAB O=C(CCc1cccc(Cl)c1Cl)N(Cc1ccco1)C1CC1 40120588 IDEKZYNAOOYUJB-UHFFFAOYSA-N 338.234 4.710 0 40 EJAB CC(C)c1cc(C(=O)Nc2ccc3ccccc3n2)nn1C(C)(C)C 40141400 LSQNAWKCANBYLH-UHFFFAOYSA-N 336.439 4.562 0 40 EJAB CCc1cccc(CC)c1NC(=S)N[C@@H]1CCc2ccccc2C1 57769436 CZIIJYJLDXEMQO-LJQANCHMSA-N 338.520 4.655 0 40 EJAB Cc1cc(O[C@H](C)C(=O)Nc2ccc(F)c(Cl)c2)ccc1Cl 58839989 YMCASIAHBACHES-SNVBAGLBSA-N 342.197 4.847 0 40 EJAB Cc1nn(-c2ccc(F)cc2)c(C)c1CNC[C@@H](C)c1ccccc1 61013317 VJYVHIVLPJWYLN-OAHLLOKOSA-N 337.442 4.522 0 40 EJAB CC(=O)Nc1cccc2c1CCN([C@H](C)c1cccc3ccccc13)C2 64142996 MDQAABQLEKQAOY-MRXNPFEDSA-N 344.458 4.918 0 40 EJAB COc1ccc(N(C(=O)c2ccc(F)cc2Cl)[C@H](C)C2CC2)cc1 65565860 QBIRFCGYSKPCOQ-GFCCVEGCSA-N 347.817 4.933 0 40 EJAB C[C@H]1C[C@H]1c1ccc(CN(C(=O)c2ccc(O)c(Cl)c2)C2CC2)o1 71811821 USWPIBHHGRRSJT-XHDPSFHLSA-N 345.826 4.567 0 40 EJAB Cc1nnc([C@@H](C)Nc2cccc(-c3nc4ccccc4s3)c2)o1 79029500 KAZIMPIJAYFFPC-LLVKDONJSA-N 336.420 4.828 0 40 EJAB Clc1ccc(Cl)c(-c2noc(-c3ccc(Cl)nc3)n2)c1 89262784 CQFUZRRMKUAJLK-UHFFFAOYSA-N 326.570 4.759 0 40 EJAB CC(C)(C)C(=O)N1N=C(c2ccco2)C[C@H]1c1ccc(Cl)cc1 89621218 YISOEYBSRRZHDL-HNNXBMFYSA-N 330.815 4.657 0 40 EJAB O=C(c1ccco1)N1N=C(c2ccsc2)C[C@@H]1c1ccc(Cl)o1 95116088 LAYLUVQGYWKSQM-GFCCVEGCSA-N 346.795 4.579 0 40 EJAB Cc1ccc(CSCC(=O)NCc2ccc3ccccc3c2)cc1 222748508 VZBHYWURXFGGGX-UHFFFAOYSA-N 335.472 4.698 0 40 EJAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1cc(C)ccc1OC 223011033 AUFRJOYRMRISQS-KRWDZBQOSA-N 347.842 4.762 0 40 EJAB Cc1ccc(CSCC(=O)N[C@H](C)c2ccc3c(c2)CCC3)cc1 223152591 ZVTKSUIDMNUWCP-MRXNPFEDSA-N 339.504 4.594 0 40 EJAB CC[C@H](C)NC(=O)c1ccc(OC)c(CSc2ccccc2)c1 224321149 KTTSOZGMEMQMCU-AWEZNQCLSA-N 329.465 4.516 0 40 EJAB Cc1ccc(NC(=S)NCc2cccc(OC(C)C)c2)cc1Cl 225523297 UKONHFODSLXWEZ-UHFFFAOYSA-N 348.899 4.922 0 40 EJAB O=C(Cc1c(F)cccc1Cl)NC1(c2cccs2)CCCC1 390826581 AOLLYQLVXQIACW-UHFFFAOYSA-N 337.847 4.669 0 40 EJAB Cc1cc(CNCc2ccc3ncccc3c2)c2[nH]c(C)c(C)c2c1 591709041 KXGZTUCOBYTAJR-UHFFFAOYSA-N 329.447 4.931 0 40 EJAB O=C(Nc1ccccc1F)NC1(Cc2ccc(Cl)cc2)CCC1 1666300453 HWLREYOLDVDLBF-UHFFFAOYSA-N 332.806 4.766 0 40 EJAB Cc1ccc([C@@H]2SCC(=O)N2c2ccc(Br)cc2)cc1 179983 ZKDVREYJAGVDOO-INIZCTEOSA-N 348.265 4.536 0 40 EJAB O=C(COc1ccc2ccccc2c1)Nc1cccc2c1CCCC2 323932 JDMBQJAOTZTBBQ-UHFFFAOYSA-N 331.415 4.736 0 40 EJAB Cc1cccc2nc(-c3ccc(N(C)C)cc3)c(NC3CCCC3)n12 417911 HQSXIIGYKUGBDB-UHFFFAOYSA-N 334.467 4.730 0 40 EJAB Cc1ccc(C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1 1505483 AXAKRKDQHYIGTG-UHFFFAOYSA-N 330.359 4.649 0 40 EJAB CCC(C)(C)NCCCCCNc1cc(OC)cc2cccnc12 1666875 XDRINNYGTWOXIX-UHFFFAOYSA-N 329.488 4.604 0 40 EJAB COc1ccc2ccccc2c1[S@@](=O)Nc1ccc(Cl)cc1 3855894 RVJXJMDMACIIHU-QFIPXVFZSA-N 331.824 4.637 0 40 EJAB C[C@H]1CCC[C@@H](C)N1C[C@H](O)COc1ccc(C2CCCCC2)cc1 3893478 CHJINILHYQKWHZ-UEXGIBASSA-N 345.527 4.737 0 40 EJAB CCSc1ccccc1C(=O)Nc1nc2c(OC)cccc2s1 5240684 PXZNNJGWKYVONI-UHFFFAOYSA-N 344.461 4.669 0 40 EJAB Cn1cc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccccc21 5265804 HZMQMLPRWGYJDZ-UHFFFAOYSA-N 349.312 4.721 0 40 EJAB O=C(Nc1cc(F)ccc1F)C1c2ccccc2Oc2ccccc21 5677048 LWMXWAARODSTMV-UHFFFAOYSA-N 337.325 4.841 0 40 EJAB O=C(CNc1ccccc1Oc1ccccc1)Nc1ccccc1F 6250114 MDLDHQHKKNBOBS-UHFFFAOYSA-N 336.366 4.669 0 40 EJAB Cc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccncc4)=NN32)cc1 6590528 QMCSZZALGFYYNJ-RBBKRZOGSA-N 341.414 4.632 0 40 EJAB S=C(Nc1ccc(Cl)cc1)N1CCC(c2ccccc2)CC1 6864105 FMFVFWKVQOHFSN-UHFFFAOYSA-N 330.884 4.916 0 40 EJAB Cc1ccc(C(=O)N(C2=N[C@H](C)CS2)c2ccc(Cl)cc2)cc1 7643404 QMBIQIKJEZTOMA-CYBMUJFWSA-N 344.867 4.787 0 40 EJAB CCCCOc1ccc(C(=O)Nc2cccc(F)c2)cc1OCC 8287556 WBCFKQRKQTWCAZ-UHFFFAOYSA-N 331.387 4.656 0 40 EJAB Cc1nc2ccc(OCC(C)C)cc2c(O)c1CN1CCCC[C@H]1C 8717497 IUGCVVCGSXFFNP-OAHLLOKOSA-N 342.483 4.658 0 40 EJAB C[C@H](C(=O)N1CCCC1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 9420225 APTMFYQJBMPVCJ-LBPRGKRZSA-N 326.827 4.700 0 40 EJAB Nc1c(Cl)cc(NC(=O)Cc2cccc3ccccc23)cc1Cl 16489482 QJHAYOXZEQVSDN-UHFFFAOYSA-N 345.229 4.910 0 40 EJAB O=C(c1ccccc1Nc1ccccc1)N1CCC[C@H](C(F)(F)F)C1 24183596 YLVJFLUNDCWTMY-AWEZNQCLSA-N 348.368 4.845 0 40 EJAB Cc1nc(-c2ccccc2)ccc1C(=O)N1CCC[C@H]2CCCC[C@@H]21 24884463 WGNZALMLOFEMRF-NQIIRXRSSA-N 334.463 4.852 0 40 EJAB CC[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1OC(F)F 31756498 SRWNFZRSPRNNGZ-CQSZACIVSA-N 339.769 4.823 0 40 EJAB CC(C)c1ccc(C(=O)Nc2ccc(NC(N)=O)cc2)c(C(C)C)c1 32901854 TZMHZAUUBUURES-UHFFFAOYSA-N 339.439 4.676 0 40 EJAB COC(=O)c1ccc(Nc2ccnc3c(C(F)(F)F)cccc23)cc1 34925919 LUEXIXDEQNPWHN-UHFFFAOYSA-N 346.308 4.784 0 40 EJAB Cc1ccn2cc(-c3cccc(NC(=O)c4cccs4)c3)nc2c1 37867978 AKDCLHAYVVMHFB-UHFFFAOYSA-N 333.416 4.624 0 40 EJAB COC(=O)c1cc(Nc2cccc(C)c2)c2cc(Cl)ccc2n1 38486589 BOHWJGWDLNIRJL-UHFFFAOYSA-N 326.783 4.727 0 40 EJAB CCCC(=O)Nc1cccc(NC(=O)Nc2ccccc2Cl)c1 53733952 YRBIURKZMHHEAM-UHFFFAOYSA-N 331.803 4.723 0 40 EJAB O=C(NCc1ccccc1C(F)(F)F)c1cc2c(s1)CCCC2 57416276 UZJDTPNPJFPMCK-UHFFFAOYSA-N 339.382 4.576 0 40 EJAB CC(C)(C)OC(=O)N1CCCC[C@H]1c1ccc(NC2CCC2)nc1 72213867 LGZAXECOVILHJD-INIZCTEOSA-N 331.460 4.508 0 40 EJAB Cc1cc(CN[C@H](C)c2noc(-c3ccc(Cl)cc3)n2)ccc1F 80342406 LLOJUEVJMOWWQL-GFCCVEGCSA-N 345.805 4.688 0 40 EJAB Cc1cccc(C2(CNC(=O)[C@@H]3C[C@@H]3c3cccnc3)CCCCC2)c1 84210682 POUOZMVNVPUUIS-NHCUHLMSSA-N 348.490 4.512 0 40 EJAB Brc1ccc(OCc2ccccc2)c(Br)c1 90413453 XETLZFWWVYNKJM-UHFFFAOYSA-N 342.030 4.791 0 40 EJAB in-vitro COc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3onc(C)c32)cc1 102728873 MOSTXBUPVHHXCO-QGZVFWFLSA-N 338.407 4.842 0 40 EJAB Cc1cc(NC(=O)Cc2cccc(Cl)c2)ccc1Br 110307696 YSVUIWIJYBMXLD-UHFFFAOYSA-N 338.632 4.592 0 40 EJAB Cc1nc(NC(=S)N[C@H](C)c2ccccc2)c(Cl)cc1Cl 223954636 HEIUZMHWVZPOHK-SECBINFHSA-N 340.279 4.744 0 40 EJAB CCN(Cc1ccccc1)C(=O)c1cc(C(C)C)c(OC)cc1C 225669263 DNINTSJTYLQEIT-UHFFFAOYSA-N 325.452 4.789 0 40 EJAB CCC[C@](C)(OCC)C(=O)Nc1ccc(OCc2ccccc2)cc1 225691939 RUZYOWGUSHURBH-NRFANRHFSA-N 341.451 4.799 0 40 EJAB COc1ccccc1NC(=O)Nc1ccc(OC2CCCC2)cc1 225768914 XWMCNPYJIHYVMC-UHFFFAOYSA-N 326.396 4.661 0 40 EJAB Cc1cccc2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)c(=O)oc12 226034736 DSEFYJSBDYLNTN-UHFFFAOYSA-N 348.185 4.661 0 40 EJAB CCc1c(C)c2ccc(OCc3cccc(OC)c3)c(C)c2oc1=O 489178 HGAOBBDXTHPJEH-UHFFFAOYSA-N 338.403 4.560 0 40 EJAB biogenic Cc1ccc([C@@H]2N(c3cccc4ccccc34)C(=O)N3CCCN23)cc1 519964 WPXWNTNVDPTVQM-NRFANRHFSA-N 343.430 4.710 0 40 EJAB CC1(C)CN=C(N(C(=S)Nc2ccccc2)c2ccccc2)S1 521053 VNNHFXZKOIUMEN-UHFFFAOYSA-N 341.505 4.771 0 40 EJAB Cc1ccc([C@H](CC(=O)c2ccc(Cl)c(Cl)c2)C(=O)O)cc1 1397690 WYXQBMOYMYWDLV-ZDUSSCGKSA-N 337.202 4.743 0 40 EJAB c1csc(-c2nc3ccccn3c2Nc2ccc3c(c2)OCO3)c1 1414416 ATDFDSWLTHMUAB-UHFFFAOYSA-N 335.388 4.535 0 40 EJAB Cc1csc(S[C@@H](C)C(=O)Nc2ccc3ccccc3c2)n1 3307583 RBDXNMIXKFQHGE-LBPRGKRZSA-N 328.462 4.724 0 40 EJAB Cc1ccc(CC(=O)NC(c2ccccc2)c2ccccc2)cc1C 3615312 BVWRYJOKTIMYDH-UHFFFAOYSA-N 329.443 4.752 0 40 EJAB Cc1ccc(NC(=O)c2ccccc2-c2nc3ccccc3[nH]2)cc1 3901905 WGMONLLQCULUJQ-UHFFFAOYSA-N 327.387 4.791 0 40 EJAB CC(=O)N(CCCN(C)C)C[C@H]1CC=C(CCC=C(C)C)C[C@H]1C 4025879 YFSDFXHVCMRUBE-WIYYLYMNSA-N 334.548 4.506 0 40 EJAB biogenic CC(=O)[C@@H]1[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 4802330 JYYRDDFNMDZIIP-GKRFIZMWSA-N 328.496 4.970 0 40 EJAB COc1ccc(-c2cc(-c3c(O)ccc4ccccc34)n[nH]2)cc1OC 5095274 RAJLGKIZSNSMJZ-UHFFFAOYSA-N 346.386 4.620 0 40 EJAB Cc1[nH]c2ccccc2c1C(=O)COc1ccccc1Br 5999891 DFZBJKCGIQJELD-UHFFFAOYSA-N 344.208 4.501 0 40 EJAB Cc1ccc(-c2csc(-c3cnn(-c4ccccc4)c3N)n2)cc1C 6051765 CELJMNIXUUZRPJ-UHFFFAOYSA-N 346.459 4.862 0 40 EJAB Cc1ccc(COC(=O)c2ccccc2NC(=O)c2ccccc2)cc1 6150668 YWCJUSYOPKJOQJ-UHFFFAOYSA-N 345.398 4.604 0 40 EJAB Cc1ccc(-c2n(O)c(-c3ccccc3)c(-c3ccccc3)[n+]2[O-])cc1 6923781 SFQRBAYOHKAHKT-UHFFFAOYSA-N 342.398 4.668 0 40 EJAB O=C1c2ccccc2N[C@@H](c2ccc(Cl)cc2Cl)N1C1CC1 7885960 AHAIVEIJOLTJOM-MRXNPFEDSA-N 333.218 4.722 0 40 EJAB Cc1ccc(N(CC(=O)c2ccc(Cl)cc2)C2=NCCCC2)cc1 8411708 KGYKFYMNBZTBGG-UHFFFAOYSA-N 340.854 4.920 0 40 EJAB O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1cccnc1Cl 9141821 GVHZBEUPRIZLRH-UHFFFAOYSA-N 335.112 4.660 0 40 EJAB O=C(Nc1ccc(Cl)cc1)N(C1=NCCC1)c1ccc(F)cc1 9316149 ZHGKZUROYQTWTK-UHFFFAOYSA-N 331.778 4.710 0 40 EJAB O=C(Nc1ccc(Cl)cc1)c1cccc(OCc2cscn2)c1 12755835 VUTIIFVUSVGPGO-UHFFFAOYSA-N 344.823 4.628 0 40 EJAB Cc1ccc(NC(=O)c2csc(COc3ccc(C)cc3)n2)cc1 12774298 XRQJNRCAYOBFFQ-UHFFFAOYSA-N 338.432 4.591 0 40 EJAB Cc1ccc(C)c(NC(=O)[C@@H](C)N(C)Cc2ccc3ccccc3c2)c1 12806661 LOCSQFVTNWLUJX-GOSISDBHSA-N 346.474 4.916 0 40 EJAB CCc1nc(C)c2c(C)c(C(=O)Nc3ccc(C)cc3C)sc2n1 12889450 FBYDMOPCXCRBSY-UHFFFAOYSA-N 339.464 4.740 0 40 EJAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccccc1C(F)(F)F 20486377 FELVYMWHVOEOMN-INIZCTEOSA-N 337.341 4.810 0 40 EJAB O=C(CSC(c1ccccc1)c1ccccc1)NC1CCCCC1 21004667 PIIBTEHUJNDRMR-UHFFFAOYSA-N 339.504 4.958 0 40 EJAB Cc1cc(C(=O)N2CCCSc3ccccc32)c2ccccc2n1 24049974 MOUNBSAPBHMNSH-UHFFFAOYSA-N 334.444 4.686 0 40 EJAB O=C(Cc1ccc(-n2cccc2)cc1)N1CCCSc2ccccc21 24575306 AROHCADOJYDOSY-UHFFFAOYSA-N 348.471 4.549 0 40 EJAB C[C@@H](NC(=O)CSCc1ccc(Cl)s1)c1ccc(F)cc1 32891044 MMLNTTJLUHQCOO-SNVBAGLBSA-N 343.876 4.651 0 40 EJAB Cc1cccc(C)c1NC(=O)N[C@H](C)c1ccccc1Br 43358353 YXFFEVBMQYXOHN-CYBMUJFWSA-N 347.256 4.949 0 40 EJAB CC(C)Cc1ccc([C@@H](NCc2nnc(C(C)C)o2)C(C)C)cc1 60371453 GFDYKIUJWHQDIL-IBGZPJMESA-N 329.488 4.878 0 40 EJAB COc1ccc(NC(=S)Nc2cccc(Cl)c2F)cc1Cl 71326212 JCOFRVKHRFGWDL-UHFFFAOYSA-N 345.226 4.950 0 40 EJAB CCOC(=O)c1cccc(NC(=S)Nc2cccc(C(C)C)c2)c1 71760703 NHCACZKHHWQAAW-UHFFFAOYSA-N 342.464 4.796 0 40 EJAB Cc1cc(C(=O)N[C@H](c2ccc(C(C)C)cc2)c2cccs2)no1 71806190 WGUAJXJWOULJIT-GOSISDBHSA-N 340.448 4.687 0 40 EJAB CCCOc1ccc(CNC(=O)c2cc(Cl)ccc2Cl)cc1 72331631 QIRIFDVQAJKVSO-UHFFFAOYSA-N 338.234 4.712 0 40 EJAB Cc1cc(C)c(C(=O)CCCC(=O)Nc2sc(C)nc2C)c(C)c1 75107496 XWABEVLNNRGGPE-UHFFFAOYSA-N 344.480 4.677 0 40 EJAB CC[C@H](c1ccncc1)N(CC)C(=O)Nc1cccc(OC(F)F)c1 75144141 XERMDTLNKYBPOP-MRXNPFEDSA-N 349.381 4.688 0 40 EJAB CC[C@H](NC(=O)Nc1cccc(Oc2ccncc2)c1)c1ccncc1 78937496 XVKJOQFHWFKRMP-IBGZPJMESA-N 348.406 4.542 0 40 EJAB Cc1cccc2c1C(=O)N[C@H](c1ccc(-c3cccs3)cc1F)N2 84229751 NTAIQVCAKQOACZ-GOSISDBHSA-N 338.407 4.717 0 40 EJAB O=C(c1cccc2ccccc12)N1CCC[C@@H]1Cc1cccc(F)c1 84598254 NVWIDDJRJKSVPN-LJQANCHMSA-N 333.406 4.826 0 40 EJAB Cc1cc(Cl)ccc1OCCCC(=O)N[C@H](C)[C@H]1C[C@@H]2CC[C@@H]1C2 102234230 IZTFTQNBTGOQST-YFHUEUNASA-N 349.902 4.748 0 40 EJAB Cc1ccc(C)c(NC(=O)c2cn(C)nc2-c2ccccc2Cl)c1 108668385 LDBVBVUJFYEBJX-UHFFFAOYSA-N 339.826 4.610 0 40 EJAB Cc1cccc(C)c1C[C@H](Oc1ccccc1C(C)(C)C)C(=O)O 225030831 SPBHWLCAMZDMNR-IBGZPJMESA-N 326.436 4.676 0 40 EJAB CO[C@@]1(C(=O)Nc2cc(C)c(OC(C)C)c(C)c2)CCC[C@H](C)C1 225638195 CKFLDMMGWYTOPS-XOBRGWDASA-N 333.472 4.624 0 40 EJAB CCCOc1ccccc1CCCNC(=O)c1cc(C)c(C)cc1C 225649771 HYAXSBJHMIKKSF-UHFFFAOYSA-N 339.479 4.763 0 40 EJAB Fc1ccccc1CNC(=S)Nc1ccc(OC2CCCC2)cc1 225836120 YUIPQZFDPOAWJR-UHFFFAOYSA-N 344.455 4.634 0 40 EJAB Cc1ccc(Cl)cc1NC(=O)c1cc2cccc(Cl)c2oc1=O 226039547 CSQGDMKVGJHTGU-UHFFFAOYSA-N 348.185 4.661 0 40 EJAB C[C@@H]1CCCCN1c1ccc(N)cc1NC(=O)c1cc2ccccc2o1 226254094 SALRMMKEQWHNHT-CQSZACIVSA-N 349.434 4.646 0 40 EJAB Cc1ccc(NC(=O)c2ccc(-c3ccccc3Cl)o2)c(N)c1 226347887 OJRRBLIZZXVVKH-UHFFFAOYSA-N 326.783 4.743 0 40 EJAB Cc1ccc(-c2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)nn2)cc1 408531437 TWBFTFNOBRCWMY-UHFFFAOYSA-N 346.430 4.969 0 40 EJAB COc1ccc(-c2nnc([C@H]3C[C@@H]3c3cccc(Cl)c3)o2)cc1 1117186503 HCRYKBIETMYOPZ-CVEARBPZSA-N 326.783 4.670 0 40 EJAB CC1(C)CC[C@H](NC(=O)CCc2cscn2)[C@@H](c2ccccc2)C1 1632867041 MQHAAWUKPKKHGW-MSOLQXFVSA-N 342.508 4.554 0 40 EJAB Cc1cc(Br)c2ccccc2c1I 2362804636 DHSXBYRGTIUJMU-UHFFFAOYSA-N 346.993 4.515 0 40 EJAB COc1ccccc1-n1c(C)nnc1-c1ccc(-c2ccccc2)cc1 3106 MHJPVIGLQHLUFI-UHFFFAOYSA-N 341.414 4.918 0 40 EJAB O=C(COc1cccc2cccnc12)Nc1ccc(Cl)c(Cl)c1 6127899 MALBFRDHHMQVJB-UHFFFAOYSA-N 347.201 4.559 0 40 EJAB O=S(=O)(NC1CCCCCCCCCCC1)c1ccc(F)cc1 6863307 HSQAXNQUZAKVFO-UHFFFAOYSA-N 341.492 4.777 0 40 EJAB C[C@@H](NCc1nnc(-c2ccc(C(C)(C)C)cc2)o1)c1ccccc1 9504132 CQVGYCYGJNVMBF-OAHLLOKOSA-N 335.451 4.885 0 40 EJAB O=C(CCSc1ccc(F)cc1)Nc1ccc2scnc2c1 10217602 QVBMMMFNSNKIJN-UHFFFAOYSA-N 332.425 4.556 0 40 EJAB CCOc1ccc([C@@H](C)NC(=O)CSc2ccc(Cl)cc2)cc1 11171738 LUCDBQLMZYAAAU-CYBMUJFWSA-N 349.883 4.708 0 40 EJAB Cc1ccc(CN(C(=O)c2cccc(Cl)c2)c2ccccn2)cc1 11916271 YQPQLLHRWYXZSP-UHFFFAOYSA-N 336.822 4.890 0 40 EJAB COCc1cc(C)nc2sc(-c3ccccn3)c(-n3cccc3)c12 12445386 JNEYZSJWKIRHSA-UHFFFAOYSA-N 335.432 4.604 0 40 EJAB Cc1nc(-c2nc(NC3CC3)ncc2-c2ccsc2)sc1C 12751444 QXLNQBROVWRFCV-UHFFFAOYSA-N 328.466 4.520 0 40 EJAB COc1ccc(-c2cc3ncnc(Oc4cccnc4)c3s2)cc1 12821936 WDHJHTITLGLDOI-UHFFFAOYSA-N 335.388 4.554 0 40 EJAB O=C1/C(=C\c2ccc(Cl)cc2Cl)N=C(S)N1c1ccccc1 13956788 DDMANRIXEMHHCM-RIYZIHGNSA-N 349.242 4.667 0 40 EJAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccccc1C(C)C 14398278 YKJWQAHMEBJIEK-IBGZPJMESA-N 327.424 4.615 0 40 EJAB O=C(CCSc1ccc(F)c(F)c1)Nc1cccc2ncccc12 14897131 BLRGHTBINHPCIE-UHFFFAOYSA-N 344.386 4.634 0 40 EJAB O=C(Nc1ccccc1O)[C@H](Sc1ccccc1)c1ccccc1 21866438 WXPRYIGZIKMCPT-LJQANCHMSA-N 335.428 4.864 0 40 EJAB Cc1occc1C(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 22878571 HEQMQGRLDKZSSI-NYMDZQDESA-N 343.426 4.615 0 40 EJAB CN(C)c1ccc(Nc2nc(-c3ccsc3)nc3ccccc23)cn1 23619009 KIRGAGJLXQRAJR-UHFFFAOYSA-N 347.447 4.563 0 40 EJAB Cc1ccc2cccc(SCC(=O)Nc3cccc(C)c3C)c2n1 30835556 UECFOUHNLORDHY-UHFFFAOYSA-N 336.460 4.891 0 40 EJAB COc1ccc([C@H](CC(C)C)NC(=O)c2cccc(Cl)c2)cc1 30868652 NAAYMNBFZVLNGJ-SFHVURJKSA-N 331.843 4.866 0 40 EJAB COCc1cccc(NC(=O)N[C@@H](c2cccs2)C2CCCC2)c1 40104950 LLUKEBFHTSTJID-GOSISDBHSA-N 344.480 4.948 0 40 EJAB Cc1c(C(=O)N2C[C@H](C)Oc3ccccc32)oc2ccc(Cl)cc12 41155836 RMCPRQQCSIPLJZ-NSHDSACASA-N 341.794 4.822 0 40 EJAB CC(C)=CCC/C(C)=C\CNCCNC1C2CC3CC(C2)CC1C3 45244934 JFIBVDBTCDTBRH-IDUWFGFVSA-N 330.560 4.683 0 40 EJAB in-vitro COc1cc(Cl)c(C)cc1N[C@H](C)c1nnc(-c2ccccc2)o1 48264255 YVIUGGUIGHZUGO-GFCCVEGCSA-N 343.814 4.880 0 40 EJAB CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccccc2OC(F)(F)F)C1(C)C 58166913 HNEGKRNQEYRTHI-BXUZGUMPSA-N 327.346 4.762 0 40 EJAB COc1ccc(-c2csc3ncnc(Oc4ccc(C)nc4)c23)cc1 58358230 SNMCSNHPYHHOAM-UHFFFAOYSA-N 349.415 4.863 0 40 EJAB CC[C@H](C)Nc1ncccc1[C@H]1CCCCN1C(=O)c1ccccc1 72213460 NQWMDAWPOCWPBD-QFBILLFUSA-N 337.467 4.659 0 40 EJAB Fc1ccc(CN2CCCC[C@@H]2c2nnc(-c3ccsc3)o2)cc1 72390145 BYJRRONZNLRZQJ-MRXNPFEDSA-N 343.427 4.664 0 40 EJAB CCNc1nnc(S[C@H](C)c2ccc(C(F)(F)F)cc2)s1 78480766 LOJKQHDXOADKDE-MRVPVSSYSA-N 333.404 4.842 0 40 EJAB O=C(Nc1ccc(OC2CCCC2)cc1)c1ccc(O)c(Cl)c1 84414499 RMNYUSZLWKVEJB-UHFFFAOYSA-N 331.799 4.619 0 40 EJAB O=C(Nc1ccc(C(F)(F)F)cc1)c1cc(F)cc2cccnc12 95453263 LQEBMGRBYITXRS-UHFFFAOYSA-N 334.272 4.645 0 40 EJAB COc1ccccc1C[C@H]1C(=O)N(c2ccccc2)c2ccccc21 101014932 HTEXUKZIAITSLH-LJQANCHMSA-N 329.399 4.700 0 40 EJAB COc1ccc(C(=O)CCc2cccc(C(F)(F)F)c2)cc1OC 139572341 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Cc1ccc(C)c(C(=O)CCC(=O)Nc2ccc(F)c(Cl)c2)c1 6433658 XYEBKLDNUKYPBU-UHFFFAOYSA-N 333.790 4.698 0 40 EJAB Cc1cccc(OCCSC2=Nc3ccccc3[C@H]3CC=NN23)c1 6787386 XDLOFBFWIKMRFC-GOSISDBHSA-N 337.448 4.541 0 40 EJAB O=C(c1ccccn1)N(c1ccccc1)c1nc2ccccc2s1 7989716 ZZHITTGEGZPSOW-UHFFFAOYSA-N 331.400 4.670 0 40 EJAB COc1ccc(C(=O)N2c3c(OC)cccc3C(C)=CC2(C)C)cc1 10157735 UVCFBEHILOIDBU-UHFFFAOYSA-N 337.419 4.546 0 40 EJAB CCCCc1nc2ccccc2n1CC(=O)N(c1ccccc1)C(C)C 12410992 KBAMXUVZSNHNQC-UHFFFAOYSA-N 349.478 4.821 0 40 EJAB O=C(Nc1nc2c(s1)CCCCC2)c1ccccc1C(F)(F)F 12771775 JZRRLGJPCDTVRU-UHFFFAOYSA-N 340.370 4.683 0 40 EJAB COc1cccc(-c2cc3nc(-c4ccccc4)cc(Cl)n3n2)c1 13562752 SWWUWCABWYBJFW-UHFFFAOYSA-N 335.794 4.725 0 40 EJAB Cc1ccccc1CNC(=O)c1ccccc1OCc1ccccc1 13687015 CSXRFJLXTABODP-UHFFFAOYSA-N 331.415 4.504 0 40 EJAB Cc1nc2ccccc2nc1SCC(=O)c1ccc(Cl)s1 16265534 ICDLHGLIPOHOFW-UHFFFAOYSA-N 334.853 4.628 0 40 EJAB O=[P@]1(Nc2ccccc2)OCCCN1Cc1ccccc1Cl 17380695 ZXGSGYKMFCZQTL-JOCHJYFZSA-N 336.759 4.783 0 40 EJAB Cc1ncc(CN[C@H]2[C@@H]3CCCC[C@H]3[C@@H]2c2ccc(Cl)cc2)cn1 19287283 NGCQAPOEQAJGRR-ZRNYENFQSA-N 341.886 4.500 0 40 EJAB O=C(CSCc1ccc(Cl)c(Cl)c1)N[C@@H]1C[C@H]2CC[C@@H]1C2 20041980 OVOJTZXPQVHTOX-JVLSTEMRSA-N 344.307 4.531 0 40 EJAB Cc1cccc(O[C@H](C)C(=O)N[C@H](CC(C)C)c2ccccc2)c1 20456446 CMIYMCDKPIVPBG-YLJYHZDGSA-N 325.452 4.666 0 40 EJAB CC(C)(C)SCC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 21206016 NWBCDIOUYUXVIT-UHFFFAOYSA-N 335.469 4.588 0 40 EJAB CC[C@H](NC(=O)CSc1ccc(Cl)cc1)c1ccc(OC)cc1 21837572 YNASRAMXCBCHPN-KRWDZBQOSA-N 349.883 4.708 0 40 EJAB CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccc(-c3nccs3)cc2)C1(C)C 24541676 JLINGDSVELYWNQ-CVEARBPZSA-N 326.465 4.987 0 40 EJAB C[C@H]1N(CCCCCC(=O)O)c2ccc3ccccc3c2C1(C)C 38490573 TULVHKHLIGTMSW-OAHLLOKOSA-N 325.452 4.971 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2cc(C)ccc2C)c(C)c1 38754187 QONRLBASLJINDR-MSOLQXFVSA-N 325.452 4.565 0 40 EJAB Cc1ccc(C)c([C@@H](C)NC(=O)COc2ccc(Cl)c(C)c2)c1 59351454 JQEPGYKNNMJKTO-OAHLLOKOSA-N 331.843 4.521 0 40 EJAB Cc1ccc(CSCC(=O)Nc2ccc(OC(C)C)cc2)cc1 69516343 PHYREPTWLRILIH-UHFFFAOYSA-N 329.465 4.654 0 40 EJAB CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2CC)cn1 72215100 GZJHLFLPPACLTO-RDJZCZTQSA-N 347.503 4.778 0 40 EJAB CC(C)(C)OC(=O)N(c1ccccc1)c1ncccc1[C@H]1CCCN1 72215845 IFXNTGPOPVPBNS-QGZVFWFLSA-N 339.439 4.579 0 40 EJAB Cc1cc(Cl)ncc1[C@@H]1CCCCN1C(=O)OCc1ccccc1 72217870 FKADAFHZTWFYMO-KRWDZBQOSA-N 344.842 4.907 0 40 EJAB CCc1ccc([C@@H](C)NC(=O)[C@H](CC)Oc2cccc(C)c2C)cc1 78458442 ZSMVESNYGVETJV-XLIONFOSSA-N 339.479 4.901 0 40 EJAB O=C(c1cccs1)N1N=C(c2ccsc2)C[C@H]1c1ccccc1 79112231 ZBJDOXWXCVYDEC-INIZCTEOSA-N 338.457 4.801 0 40 EJAB CCO[P@](C)(=O)[C@@H](C(=O)O)c1csc2ccc(Cl)cc12 82048686 XQUUWINBTHXKLR-BLVKFPJESA-N 332.745 4.625 0 40 EJAB CCC[C@H](C)C(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 84740079 YSKNAWICIPWTSH-TUKZGULFSA-N 333.475 4.836 0 40 EJAB Cc1ccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1F 96170913 DEOXYROVSVXYAI-UHFFFAOYSA-N 328.265 4.677 0 40 EJAB Cc1cccc(O[C@@H](C)C(=O)NCCc2ccc(C(C)C)cc2)c1C 216376125 PGARPIGBXHDPRV-SFHVURJKSA-N 339.479 4.553 0 40 EJAB Cc1cc(C)c([C@@H](C)NC(=O)CSCc2ccccc2F)cc1C 223489175 SLZCVUVTYYKFNE-MRXNPFEDSA-N 345.483 4.862 0 40 EJAB CCOc1cccc(NC(=S)N[C@@H](CC)c2ccc(C)cc2)c1 225484453 VCYSAXHQPFYVRA-SFHVURJKSA-N 328.481 4.831 0 40 EJAB CCc1cccc(C)c1NC(=O)[C@H](C)Oc1cccc2c1CCCC2 225570382 ZIFLNGNITCNYAJ-INIZCTEOSA-N 337.463 4.842 0 40 EJAB CCO[C@]1(C(=O)Nc2ccc(OC(C)C)c(C)c2)CCC[C@@H](C)C1 225717220 ZBKOTGBZFFNSQL-FOIQADDNSA-N 333.472 4.706 0 40 EJAB COc1ccc(NC(=S)N[C@H](c2ccccc2C)C(C)C)cc1 225760153 ZGKLQCFBZLZFSR-SFHVURJKSA-N 328.481 4.687 0 40 EJAB CCCCOc1ccc(O)c(-c2c[nH]nc2-c2ccc(OC)cc2)c1 524734118 XYRKLOYJOXFVDN-UHFFFAOYSA-N 338.407 4.637 0 40 EJAB CC1(C(=O)NCc2ccc(-c3cccnc3)cc2)CCC(F)(F)CC1 528700838 CYEQNKISSRIPKZ-UHFFFAOYSA-N 344.405 4.580 0 40 EJAB C[C@H]1C[C@H]1c1ccc(CCC(=O)NCc2ccc(-c3ccccc3)o2)o1 614967922 HIAWTFOFBLPZJI-HNAYVOBHSA-N 349.430 4.912 0 40 EJAB Cc1cccc(C(=O)Oc2cccc(OC(=O)c3cccc(C)c3)c2)c1 348016 WFCYXBZCJBYIOY-UHFFFAOYSA-N 346.382 4.742 0 40 EJAB Fc1ccc(CSc2nnc(C3CC3)n2-c2ccccc2)cc1 2524032 GVJZWTMKBJCOIW-UHFFFAOYSA-N 325.412 4.576 0 40 EJAB O=C(CC(=O)c1ccccc1)Nc1cc(C(F)(F)F)ccc1Cl 3037964 YTCWZYBBDZOIDX-UHFFFAOYSA-N 341.716 4.570 0 40 EJAB Cc1ccc(-c2cn3cccnc3n2)cc1NC(=O)CCC1CCCC1 4033062 WQLFRRXFFYXBEA-UHFFFAOYSA-N 348.450 4.614 0 40 EJAB O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(OC(F)F)cc1 4902238 GSMKRDQLKHWQOS-UHFFFAOYSA-N 346.377 4.531 0 40 EJAB C[C@H](Sc1nc2ccccc2o1)C(=O)Nc1ccc(Cl)cc1 5628832 LHEFYGXZUWJRLR-JTQLQIEISA-N 332.812 4.601 0 40 EJAB C[C@@H](CC(=O)NCCc1ccc(Cl)cc1Cl)c1ccccc1 6606770 ZLGMUOLKASPMIP-ZDUSSCGKSA-N 336.262 4.846 0 40 EJAB CC(C)c1cc(C(=O)NCc2ccc(Cl)cc2)c2ccccc2n1 7003858 HZDJMSRNGRPFFY-UHFFFAOYSA-N 338.838 4.942 0 40 EJAB Cc1ccccc1OCC(=O)N(C)C(c1ccccc1)c1ccccc1 7800399 MHXUSIVMKBAUIR-UHFFFAOYSA-N 345.442 4.622 0 40 EJAB Cc1ccc([C@H]2Nc3ccccc3C(=O)N2[C@H](C)c2ccccc2)o1 8160188 NPBZZUSYPKCCOE-QRWLVFNGSA-N 332.403 4.916 0 40 EJAB O=C(CCSc1nc2ccccc2s1)NC1CCCCCC1 8190493 FKTKGEAVHJCIGB-UHFFFAOYSA-N 334.510 4.618 0 40 EJAB O=C(CN1CCC[C@H]1c1cccs1)C12CC3CC(CC(C3)C1)C2 9377406 AKMXKIOBBUSCTE-FAKMSMKASA-N 329.509 4.671 0 40 EJAB CCOc1ccc(C(=O)NCc2cccc3ccccc23)cc1OCC 10039407 NPYZSYQGMQYQRS-UHFFFAOYSA-N 349.430 4.567 0 40 EJAB O=C(OCc1cc(-c2ccccc2)no1)C12CC3CC(CC(C3)C1)C2 12782537 YRNSJZMTUPTUCW-UHFFFAOYSA-N 337.419 4.601 0 40 EJAB C[C@@H](NC(=S)Nc1c(Cl)cccc1OC(F)F)C(C)(C)C 13878637 ZRKXGRFJLIBNAY-MRVPVSSYSA-N 336.835 4.662 0 40 EJAB O=C(CCSc1ccc(Cl)cc1)NCC1(c2ccccc2)CC1 14196582 DALOANXSDBNXOC-UHFFFAOYSA-N 345.895 4.670 0 40 EJAB Cc1c(C(=O)Nc2nnc(CC(C)C)s2)sc2cccc(F)c12 14633265 YGOYMXDSAKLPCA-UHFFFAOYSA-N 349.456 4.651 0 40 EJAB CCCOc1ccc(-c2nnc(NC(=O)C3CCCCC3)s2)cc1 17056877 AULSVKKBTOIJEW-UHFFFAOYSA-N 345.468 4.513 0 40 EJAB O=C(Cc1csc(-c2cccs2)n1)NC1CCCCCCC1 17338083 USVZPFONDSOYQB-UHFFFAOYSA-N 334.510 4.643 0 40 EJAB O=C(Nc1cccc(Cl)c1)c1cccnc1Nc1ccccc1F 22072802 OKRBMEVXSYADIA-UHFFFAOYSA-N 341.773 4.870 0 40 EJAB Cc1ccc(C)c(NC(=O)c2cccnc2SCC(F)(F)F)c1 22522498 YGXFXGWJMJGUEP-UHFFFAOYSA-N 340.370 4.605 0 40 EJAB Cc1ccc(-c2nnc(CN[C@H](c3ccc(F)cc3)C(C)C)o2)cc1 25928661 KUGOIGHMXBJWJA-IBGZPJMESA-N 339.414 4.671 0 40 EJAB c1ccc2c(-c3csc(Cc4cn5ccccc5n4)n3)c[nH]c2c1 32899500 UPTXOVFXRFMVPX-UHFFFAOYSA-N 330.416 4.530 0 40 EJAB C[C@H](NC(=O)N(C)[C@H](C)c1ccc(Cl)cc1)c1ccccc1F 40067843 NTSSBBCWNOHSFQ-QWHCGFSZSA-N 334.822 4.943 0 40 EJAB O[C@H](c1cccc(Br)c1)c1ccc(Cl)c(Cl)c1 40260244 XWBCGROLNAATIW-CYBMUJFWSA-N 332.024 4.838 0 40 EJAB CCC[C@H](C)NC(=O)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 58167843 ONXAMPKUDNKDRI-ZDUSSCGKSA-N 349.450 4.655 0 40 EJAB CC(C)(C)C[C@@H]1CCCN1C(=O)c1csc(-c2ccccc2)n1 60239535 AMGHRYIENPFSJG-HNNXBMFYSA-N 328.481 4.851 0 40 EJAB CN(C)Cc1c(C(=O)Nc2ccc(Cl)cc2F)oc2ccccc12 72283567 WZJIFIZKGMSEFL-UHFFFAOYSA-N 346.789 4.539 0 40 EJAB Cc1cc(Nc2ccccc2C(=O)O)c2c(Cl)ccc(C)c2n1 78401686 DAOCVLFKDQNEKL-UHFFFAOYSA-N 326.783 4.947 0 40 EJAB CC(=O)Nc1cccc2c1CCN([C@@H](C)c1cccc3ccccc13)C2 84656347 MDQAABQLEKQAOY-INIZCTEOSA-N 344.458 4.918 0 40 EJAB C[C@H](N[C@@H](C)c1ccc2c(c1)CCCC2)c1ccc([S@@](C)=O)cc1 95967169 KRGBXPSUMSLGRE-YWTKSJFSSA-N 341.520 4.715 0 40 EJAB Cc1cc(NC(=O)CCC2CCCCC2)cc2c1N(C)C(=O)C2(C)C 96182169 DKFMRHHFOZBRIV-UHFFFAOYSA-N 342.483 4.548 0 40 EJAB CO[C@@H](C)c1cccc(NC(=O)N2CC=C(c3cccs3)CC2)c1 96410634 RRAXNSOLLZQJHR-AWEZNQCLSA-N 342.464 4.777 0 40 EJAB CC[C@@H](c1ccncc1)N(CC)C(=O)Nc1cccc([C@@H](C)OC)c1 96418043 JRWNWMOSDHVJGI-BEFAXECRSA-N 341.455 4.794 0 40 EJAB C[C@@H]1CC[C@@](C)(COC(=O)[C@H]2C(=O)[C@]3(C)CC[C@@H]2C3(C)C)C1(C)C 100364097 HCERMHIQIKFMFV-CQSKZNDUSA-N 334.500 4.633 0 40 EJAB C[C@]12CC[C@H]3[C@@H](CC=C4C(F)(F)C(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(C)O 118922950 XRZWBBRIKOQLPC-DXYUECLBSA-N 338.438 4.515 0 40 EJAB COc1ccc(C(=O)CCc2cccc(OC(F)(F)F)c2)cc1F 199732013 OIGOTXUQQLYWOF-UHFFFAOYSA-N 342.288 4.548 0 40 EJAB CCc1ccc(CC)c(CNC(=O)CSc2ccc(C)cc2)c1 222961079 IQUDXLZHGNTIKH-UHFFFAOYSA-N 327.493 4.528 0 40 EJAB Cc1cc(C)c(C(=O)NCCOc2ccc3ccccc3c2)cc1C 223646370 DOOWWCKURQHXJO-UHFFFAOYSA-N 333.431 4.574 0 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341.417 4.574 0 40 EJAB CCOc1ccc(C(=O)Nc2nc3c(C)c(Cl)ccc3s2)cc1 4331334 BVDPMDQPXLUSBQ-UHFFFAOYSA-N 346.839 4.909 0 40 EJAB CC(=O)NCC[C@H]1[C@H](c2c(C)[nH]c3c2ccc2ccccc23)C1(C)C 5477729 LXJVNXPZQCZABX-AZUAARDMSA-N 334.463 4.895 0 40 EJAB CCCCOc1ccc([C@H](C)c2cc3c(cc2OC)OCO3)cc1 5784103 CYJSRVDDACXPMA-AWEZNQCLSA-N 328.408 4.755 0 40 EJAB CCOc1ccc2nc(NC(=O)C[C@@H](C)c3ccccc3)sc2c1 6270929 XOJQLESWPARLEP-CYBMUJFWSA-N 340.448 4.827 0 40 EJAB CCc1ccc2c(c1)C(c1ccc(F)cc1)=NNC(c1cccs1)=N2 6844094 RJEQSGZSYBQECE-UHFFFAOYSA-N 349.434 4.884 0 40 EJAB C[C@@H](NC(=O)CSc1ccc2ccccc2c1)c1ccc(F)cc1 6850170 NDCJIAQULVBFBM-CQSZACIVSA-N 339.435 4.948 0 40 EJAB C[C@@H](Sc1ccc2ccccc2c1)c1nc2ccccc2c(=O)[nH]1 7487832 KJFNHXYODURLJN-CYBMUJFWSA-N 332.428 4.930 0 40 EJAB COc1ccc(NC(=O)[C@@H](C)SCc2cccc(Cl)c2)cc1 8185054 PZQBCHAHKIUNPN-GFCCVEGCSA-N 335.856 4.609 0 40 EJAB C[C@H](Oc1ccc(F)cc1)C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 10276538 ZSBGSFUZKIWSJV-CABCVRRESA-N 343.442 4.768 0 40 EJAB CCc1cccc(C)c1NC(=O)c1csc(-c2ccsc2)n1 12979437 HXBQNSVQIJHBLO-UHFFFAOYSA-N 328.462 4.995 0 40 EJAB Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(C(C)C)cc3)cc2)n1 13945689 ICCPRRMRSFTEKQ-UHFFFAOYSA-N 333.435 4.865 0 40 EJAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2cc(Cl)ccc2C)c1 20110581 OQMWHEGBLPHJPP-OAHLLOKOSA-N 331.843 4.980 0 40 EJAB Cc1ccsc1CN(C)C(=O)c1sc(-c2ccccc2)nc1C 23040232 RJKNGBHNOFYGFQ-UHFFFAOYSA-N 342.489 4.761 0 40 EJAB Cc1noc(C)c1CCC(=O)Nc1ccc(Nc2ccccc2)cc1 32868904 AXNGUANUSJPRNT-UHFFFAOYSA-N 335.407 4.606 0 40 EJAB Cc1c(C(=O)N2CCC[C@@H]2c2ccsc2)oc2c(F)cccc12 40107753 BVMJKLNICAIIGZ-OAHLLOKOSA-N 329.396 4.919 0 40 EJAB Cc1ccsc1C(=O)Nc1ccccc1CN1CCc2ccccc21 47418580 VXGTXWLYTKXWIA-UHFFFAOYSA-N 348.471 4.872 0 40 EJAB Cc1cc(F)ccc1NC(=O)NC1(c2ccc(F)cc2)CCCC1 58325156 NYCAYYIQMJLBBO-UHFFFAOYSA-N 330.378 4.864 0 40 EJAB Cc1ccc(C)c(NC(=S)NCCSCc2ccccc2)c1 61248061 WCACWYJZBBDCRK-UHFFFAOYSA-N 330.522 4.523 0 40 EJAB c1ccc(OCCCN2CCC[C@@H]2c2nc3ccccc3s2)cc1 61780405 VTZQWIZKMNJGAP-GOSISDBHSA-N 338.476 4.902 0 40 EJAB CCCN1C(=O)c2ccc(Cl)cc2N[C@H]1c1csc(C2CC2)n1 63496084 OFWKZBVEJSDXTK-OAHLLOKOSA-N 347.871 4.650 0 40 EJAB CC1(C)[C@@H]2CC[C@]1(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C2 100399978 NGJIKNUKAYRYJI-LGFNAOKASA-N 326.267 4.938 0 40 EJAB COc1ccc(-n2c(C)ccc2-c2ccc(Br)cc2)cn1 106455097 JPDMLGCTDYQZEV-UHFFFAOYSA-N 343.224 4.619 0 40 EJAB CC(=O)O[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CCC(=O)C[C@@H]1C[C@H]3C 118915084 LLEADQQVTIBBHB-MSBPVDCOSA-N 346.511 4.776 0 40 EJAB Cc1ccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1 222957500 KFZLNERNBYHTCF-SJORKVTESA-N 337.463 4.519 0 40 EJAB CC[C@H](NC(=O)COc1ccc2c(c1)CCCC2)c1ccccc1C 224353022 VFFZFGOXNDZOHO-NRFANRHFSA-N 337.463 4.520 0 40 EJAB O=C(O)[C@H](Cc1ccccc1Cl)Sc1ccc(Cl)cc1 225057470 DFNLHBIMGLPLOS-AWEZNQCLSA-N 327.232 4.781 0 40 EJAB CCOc1ccc(NC(=S)NCCCc2ccccc2Cl)cc1 225539848 ZXYMNWYGLGSDSJ-UHFFFAOYSA-N 348.899 4.658 0 40 EJAB CCCC[C@](C)(OC)C(=O)Nc1ccc(OC2CCCC2)c(C)c1 225620354 VXTHHHCGULAYHX-FQEVSTJZSA-N 333.472 4.850 0 40 EJAB COc1ccccc1NC(=O)c1ccc(-c2nc(C)sc2C)cc1 408580383 PBTNLNWBHJBJGL-UHFFFAOYSA-N 338.432 4.688 0 40 EJAB O=C(NCc1ccoc1)c1ccccc1-c1ccc(C(F)(F)F)cc1 516712763 SALRMVBWVYIEOF-UHFFFAOYSA-N 345.320 4.895 0 40 EJAB O=C(Nc1ccc(F)c(Cl)c1)C(=S)Nc1ccc(Cl)cc1 124428 RKTLRXPXOKMBQW-UHFFFAOYSA-N 343.210 4.511 0 40 EJAB CCOc1ccc2nc(NC(=O)c3ccc(Cl)s3)sc2c1 179102 WYBAQCPIMOXNFH-UHFFFAOYSA-N 338.841 4.662 0 40 EJAB C[C@@H]1CCCCN1c1ncnc2c1oc1ccc(Br)cc12 541014 GUMNAUDLBMZBQW-SNVBAGLBSA-N 346.228 4.517 0 40 EJAB O=C1O[C@H](Nc2nc(-c3ccc(Cl)cc3)cs2)c2ccccc21 552721 CWLNOWHKJXJOHM-HNNXBMFYSA-N 342.807 4.745 0 40 EJAB CC[N+](CC)=c1sc(-c2ccccc2)c(-c2ccccc2)s1 1822424 VOEMFBQFXPTRCN-UHFFFAOYSA-N 326.510 4.956 0 40 EJAB CCOC(=O)c1cc(CP(=O)(OCC)OCC)oc1C(C)(C)C 2313489 JGKXQYIDNGAWIW-UHFFFAOYSA-N 346.360 4.520 0 40 EJAB CC(=O)N1N=C(c2cccc(Cl)c2)O[C@@H]1c1ccc(C(C)C)cc1 2393742 FHHASPRPAFEHOX-LJQANCHMSA-N 342.826 4.703 0 40 EJAB CC(=O)Nc1cccc(NC(=O)c2cccc(Oc3ccccc3)c2)c1 2654883 YZPISAGMFUGLFI-UHFFFAOYSA-N 346.386 4.690 0 40 EJAB Cc1ccc(C)c2sc(NC(=O)c3ccc4ncsc4c3)nc12 2723932 FZYSRGIXGZEZML-UHFFFAOYSA-N 339.445 4.775 0 40 EJAB CCc1cccc(C)c1Nc1c(-c2ccccc2O)nc2cnccn12 4733464 BOGJBWPYHUJDQL-UHFFFAOYSA-N 344.418 4.716 0 40 EJAB c1ccc2c(OCCCCCCNC[C@@H]3CCCO3)cccc2c1 4859574 MXKMAEAINHFLGT-IBGZPJMESA-N 327.468 4.548 0 40 EJAB COc1ccc(-c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 5156761 BQDUXAAQKTUZGT-UHFFFAOYSA-N 327.405 4.503 0 40 EJAB CCC(=O)Nc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 5524272 SXKWZXKYTLMCBE-UHFFFAOYSA-N 337.206 4.594 0 40 EJAB CC(=O)Nc1ccc(-c2nc(-c3ccco3)c(-c3ccco3)[nH]2)cc1 6549877 HNRJTOVPRZRADV-UHFFFAOYSA-N 333.347 4.555 0 40 EJAB Cc1cc(C(=O)NCCC(c2ccccc2)c2ccccc2)c(C)o1 6639312 MBQNDFJOGOCHND-UHFFFAOYSA-N 333.431 4.848 0 40 EJAB Cc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1 12938620 LYKCRXVDEZSALZ-INIZCTEOSA-N 336.460 4.625 0 40 EJAB CC(C)[C@@H](NC(=O)N(C)Cc1ccsc1)c1ccc(Cl)cc1 12973247 CASYORICQKFMGC-MRXNPFEDSA-N 336.888 4.940 0 40 EJAB Cc1c(Cl)cccc1NC(=O)CCc1ncc(-c2ccccc2)o1 12997170 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CCN(C(=O)Nc1cccc(N(C)C(C)C)c1)[C@@H](C)c1cccnc1 72286345 RQSCJTJYSOPHSN-INIZCTEOSA-N 340.471 4.541 0 40 EJAB CCc1ccccc1O[C@@H](C)C(=O)N[C@H](C)c1ccc(C)c(C)c1 219295659 TWYHWBRWDSJFBI-SJORKVTESA-N 325.452 4.511 0 40 EJAB Cc1ccccc1C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)O 225015495 MYFPBZPEHRGOFV-OAQYLSRUSA-N 332.399 4.737 0 40 EJAB Cc1ccc(C[C@@H](Oc2ccc(C(C)(C)C)cc2)C(=O)O)cc1C 225033761 QORUGCSDYSTKRP-LJQANCHMSA-N 326.436 4.676 0 40 EJAB Cc1cc(C)c(C)c(O[C@H](Cc2ccc(C)c(Cl)c2)C(=O)O)c1 225080585 QNGIZYYYXYHRGV-GOSISDBHSA-N 332.827 4.648 0 40 EJAB O=C(Nc1ccc2nc(-c3ccc(F)cc3)oc2c1)c1ccccc1 599811356 CUZISZJNWPLLGT-UHFFFAOYSA-N 332.334 4.886 0 40 EJAB CCO[C@H]1C[C@H](N(C)C(=O)c2ccc(-c3ccccc3)cc2)C12CCC2 1516251800 JSENUSPXUQULQO-SFTDATJTSA-N 349.474 4.773 0 40 EJAB c1ccc(C(CNc2ncnc3ccccc23)c2ccccc2)cc1 1651294047 WMUJOJCLYGVTSU-UHFFFAOYSA-N 325.415 4.874 0 40 EJAB COc1ccc(CSc2ncnc3sc4c(c23)CCCC4)cc1 526908 SBKNDLOYFBTWIL-UHFFFAOYSA-N 342.489 4.871 0 40 EJAB 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344.386 4.632 0 40 EJAB CCOC(=O)Cc1ccc(-c2nc3ccccc3s2)cc1Cl 41127251 DCGYEBYZRIZDGF-UHFFFAOYSA-N 331.824 4.722 0 40 EJAB COc1ccc(NC(=O)N2CCCCCCC2)c(C(F)(F)F)c1 48550316 WCULFURVDJRMDC-UHFFFAOYSA-N 330.350 4.512 0 40 EJAB COc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1Cl 59054984 HFQDCKIRMUDVGX-UHFFFAOYSA-N 330.598 4.908 0 40 EJAB Cc1nc(Sc2ccccc2)ccc1CNC(=O)OC(C)(C)C 72224220 AGMREOAWUAJEFG-UHFFFAOYSA-N 330.453 4.566 0 40 EJAB CC(C)CCn1c2ccc([C@@H](C)O)cc2c2cc([C@@H](C)O)ccc21 73634206 MWYDTJSFWQSCJJ-HUUCEWRRSA-N 325.452 4.947 0 40 EJAB Cc1ccc(NC(=O)NCCc2c(C)[nH]c3c(C)ccc(C)c23)cc1 96182563 LZDYHAJCIFGOMJ-UHFFFAOYSA-N 335.451 4.766 0 40 EJAB O=C(Nc1ccc(F)cc1)c1ccc(COc2ccc(Cl)cc2)o1 409202428 RZMVGTFTEDMVMM-UHFFFAOYSA-N 345.757 4.903 0 40 EJAB CO[C@@H](C)c1cccc(NC(=O)N[C@H](C)C2CCC(F)(F)CC2)c1 653965083 ZIGDGWNASMCTFR-OLZOCXBDSA-N 340.414 4.730 0 40 EJAB FC(F)(F)c1ccc(-c2nnc3sc(-c4ccccc4)nn23)cc1 385264 PMRWGVLUEXVEBH-UHFFFAOYSA-N 346.337 4.539 0 40 EJAB Cc1ccc(C(=O)Nc2ccccc2N2CCCCC2)cc1Cl 569692 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346.474 4.895 0 40 EJAB FC(F)(F)c1cccc(OCc2c(Cl)ccc3cccnc23)n1 95417229 HQCVTAFXJGJSDJ-UHFFFAOYSA-N 338.716 4.881 0 40 EJAB CC(C)c1sc(Cl)nc1C(=O)Nc1cccc2ncccc12 95477844 FNDOENUTFWLXPO-UHFFFAOYSA-N 331.828 4.720 0 40 EJAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccccc1SC 113969838 CHMXGGZUIYAXGM-KRWDZBQOSA-N 329.465 4.821 0 40 EJAB Cc1c(C=O)c2ccccc2n1C(=O)c1cc(Cl)ccc1Cl 216954507 PPPZPRLMCKTZTC-UHFFFAOYSA-N 332.186 4.758 0 40 EJAB CCc1ccc(O[C@@H](CC)C(=O)NCc2ccc3ccccc3c2)cc1 222815691 ODSRNLCRVAGHIT-QFIPXVFZSA-N 347.458 4.876 0 40 EJAB Cc1cccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c1 222947595 YRRCDPBWUKSXSF-IRXDYDNUSA-N 337.463 4.519 0 40 EJAB CC(C)c1ccc(CCC(=O)NCCc2ccc(Cl)cc2)cc1 224596527 HXIUDTWXUFOVIA-UHFFFAOYSA-N 329.871 4.755 0 40 EJAB Cc1cccc(CCCNC(=O)Cc2ccc(-c3ccccc3)cc2)c1 224978263 YNIMAYXUKZBEGQ-UHFFFAOYSA-N 343.470 4.954 0 40 EJAB CC[C@H](NC(=O)c1cc(C)c(C)cc1C)c1ccc(OC)c(OC)c1 225650991 AMRXOBGUVLWJIY-SFHVURJKSA-N 341.451 4.510 0 40 EJAB 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331.500 4.542 0 40 EJAB O=C(c1cc(C2CC2)nc2ccccc12)N1CC[C@@H]2CCCC[C@@H]2C1 8095388 DPSAIWDJHIMADS-DOTOQJQBSA-N 334.463 4.765 0 40 EJAB CC(=O)N(C)Cc1ccc(-c2cn3c(n2)sc2cc(C)ccc23)cc1 8165710 VUOXTKIJULEUBZ-UHFFFAOYSA-N 349.459 4.503 0 40 EJAB C[C@@H](Nc1ccc(Br)cc1)c1nnc(-c2ccccc2)o1 9745192 FJLOUVAXOZWFDP-LLVKDONJSA-N 344.212 4.672 0 40 EJAB CC(C)Oc1cccc(NC(=O)COc2ccccc2C(C)C)c1 10715421 BHJIBBFULHAFML-UHFFFAOYSA-N 327.424 4.615 0 40 EJAB CCOc1ccc2nc(SCc3cn4ccccc4n3)sc2c1 12580566 NZROMDADGFTDAF-UHFFFAOYSA-N 341.461 4.635 0 40 EJAB COc1cc(/C=C2/C(=O)Nc3ccccc32)cc(Cl)c1OC(C)C 12765625 HVQLURHPFRIZRH-RIYZIHGNSA-N 343.810 4.629 0 40 EJAB CCOc1ccc(C(=O)N(C)[C@H](C)c2nc3ccccc3s2)cc1 12876941 WQWIZOXSMKBIAG-CYBMUJFWSA-N 340.448 4.528 0 40 EJAB C[C@H]1C[C@@H](C)CN(c2nc(-c3ccccc3F)nc3ccccc23)C1 13660367 CFBQVHQSIOEIPP-GASCZTMLSA-N 335.426 4.918 0 40 EJAB Cc1cccc(OCC(=O)Nc2nc3ccc(Cl)cc3s2)c1C 14257992 XWRIBHIDMDCESE-UHFFFAOYSA-N 346.839 4.584 0 40 EJAB 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4763836 KUFAUZJRIITNBN-ZCPXKWAGSA-N 333.560 4.758 0 40 EJAB Cc1ccc2[nH]c(S[C@@H](C)C(=O)c3ccc(F)c(F)c3)nc2c1 6657859 IDYTUWMTSSCLML-JTQLQIEISA-N 332.375 4.513 0 40 EJAB Cc1cc(C(=O)Nc2nc(-c3ccc(F)c(F)c3)c(C)s2)c(C)o1 6994068 YYDJOKJTXVFSIW-UHFFFAOYSA-N 348.374 4.859 0 40 EJAB CC[C@@H](C)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1F 7057703 ZECATRSVVRXUSA-LLVKDONJSA-N 341.835 4.793 0 40 EJAB Cc1nc2c(C)ccc(C)c2c(O)c1CN(CC(C)C)CC(C)C 8717473 ZMERSPAJKKMFQD-UHFFFAOYSA-N 328.500 4.980 0 40 EJAB Cc1cc(N2CCCC2)ccc1NC(=O)CCn1ccc2ccccc21 11575358 RSJMOMFWEHLMQU-UHFFFAOYSA-N 347.462 4.579 0 40 EJAB COc1ccc(O[C@H](C)C(=O)Nc2c(C)cccc2C(C)C)cc1 11653954 PUHHZXPUTBNFQU-OAHLLOKOSA-N 327.424 4.533 0 40 EJAB COc1ccc(C)cc1NC(=O)[C@@H](C)Nc1ccc(C(C)C)cc1 12543770 YCHAYCDGQZKWGY-OAHLLOKOSA-N 326.440 4.566 0 40 EJAB O=C(Nc1ccc(F)cc1)C1[C@H]2CC[C@@H]3[C@@H](CC[C@H]12)C3(Cl)Cl 13144843 NLTXPOMUPHQBKJ-IGQOVBAYSA-N 342.241 4.620 0 40 EJAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)c1C 20451675 ZVAYQMUZWWNXEB-ZDUSSCGKSA-N 337.341 4.728 0 40 EJAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2cccc(Cl)c2C)c1 20484768 LXJCYQNULPCSHL-HNNXBMFYSA-N 331.843 4.980 0 40 EJAB COc1ccc2nc(C)c(C(=O)Nc3cccc(Cl)c3C)cc2c1 25765395 RCKQAZMGMXOOBM-UHFFFAOYSA-N 340.810 4.766 0 40 EJAB CCCCOc1ccccc1C(=O)Nc1cc(-c2ccccc2)no1 27584672 DZMCAAFTAHTWLS-UHFFFAOYSA-N 336.391 4.773 0 40 EJAB Cc1ccc(CN(C)C(=O)c2cccc(OCc3ccccc3)c2)cc1 38771622 QNOVRZAYKILREU-UHFFFAOYSA-N 345.442 4.846 0 40 EJAB COc1ccc2oc(/C=C/C(=O)Nc3ccc(Cl)cc3)cc2c1 67339835 JJZSZTIAQWVHTN-VQHVLOKHSA-N 327.767 4.747 0 40 EJAB O=C(Nc1ccncc1)N[C@@H](c1ccccc1)c1cc2ccccc2o1 70003779 DHBYZKSSDBVDBI-FQEVSTJZSA-N 343.386 4.739 0 40 EJAB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1ccc(Cl)c(Cl)c1)CC2=O 100834590 HNYFTRHWDOKJRP-IAGOWNOFSA-N 340.250 4.717 0 40 EJAB O=C(CSCc1ccc(Cl)cc1F)NC1CCCCCC1 222952008 HBVBFMKWYAQJLI-UHFFFAOYSA-N 329.868 4.551 0 40 EJAB C[C@@H](NC(=O)/C=C/c1ccccc1Cl)c1ccc2c(c1)CCC2 223149647 HRTOXSBEKCUNJH-GCZGRYASSA-N 325.839 4.719 0 40 EJAB COc1ccc([C@H](CC(C)C)NC(=O)Cc2ccc(C)cc2C)cc1 223406889 IEZBMUKOAOETIQ-NRFANRHFSA-N 339.479 4.758 0 40 EJAB Cc1ccc(O[C@@H](C)C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1 223452292 OIEPTXJJIOJJRZ-ROUUACIJSA-N 325.452 4.565 0 40 EJAB C[C@@H]1CCCCN1c1ccc(NC(=O)c2cccc(Cl)c2)cc1N 226266363 OXNLZVYUZUPQSR-CYBMUJFWSA-N 343.858 4.553 0 40 EJAB CCCOc1ccc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1 408558584 RVIXVXQVZMQGSI-SFHVURJKSA-N 347.867 4.907 0 40 EJAB FC(F)(F)c1cc(-c2cccs2)nc(NC2CCCCC2)n1 213301 TVSMZRNBIKRTMD-UHFFFAOYSA-N 327.375 4.969 0 40 EJAB CCOC(=O)c1cc(C)sc1NC(=O)c1cccc2ccccc12 227448 CMCMHSMONYPKQO-UHFFFAOYSA-N 339.416 4.639 0 40 EJAB CC(C)Nc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1 425751 LEQBZJGAQQRIAM-UHFFFAOYSA-N 328.419 4.908 0 40 EJAB CCC(=O)N(Cc1ccco1)c1nc(-c2ccc(Cl)cc2)cs1 932797 NUVQMIJOJVCAKH-UHFFFAOYSA-N 346.839 5.000 0 40 EJAB CC(=C/c1ccccc1)/C=C1/SC(=O)N(c2ccc(O)cc2)C1=O 1236419 SBULCXPNJGZXRW-RTNVFWHRSA-N 337.400 4.579 0 40 EJAB CC(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 4073874 XXSFRYVGIQYVIQ-XESNHILKSA-N 330.512 4.761 0 40 EJAB biogenic COc1ccc(Cl)c2sc(NC(=O)c3ccc(C)cc3)nc12 5256558 UVMKAGOYROMPLZ-UHFFFAOYSA-N 332.812 4.519 0 40 EJAB Cc1ccc2c(CN[C@@H]3CCCc4ccccc43)cc(=O)oc2c1C 6788263 JMQOLSOXOYNVQR-HXUWFJFHSA-N 333.431 4.577 0 40 EJAB Cc1ccc(F)cc1NC(=O)Cc1csc(-c2cccs2)n1 8394708 QQHYCRHNXIHBGL-UHFFFAOYSA-N 332.425 4.500 0 40 EJAB Cc1ccc(Cc2nnc(SCc3ccc(Cl)cc3)o2)cc1 9198852 YKLFFEAOQPZNCD-UHFFFAOYSA-N 330.840 4.915 0 40 EJAB Cc1[nH]c2ccccc2c1C(=O)CNc1ccc(Br)cc1 12554266 VTCDWECBZNVKDL-UHFFFAOYSA-N 343.224 4.534 0 40 EJAB O=C(Nc1nc(-c2ccc(F)cc2Cl)cs1)c1ccccc1 12822080 GTIWIDFCRZDJDX-UHFFFAOYSA-N 332.787 4.855 0 40 EJAB Fc1ccc(SC[C@@H]2CSc3nnc(-c4ccccc4)n32)cc1 12898111 XNRXHLSEXQFJAD-CQSZACIVSA-N 343.452 4.523 0 40 EJAB C[C@@H](SCCC(=O)NCc1ccccc1Cl)c1ccccc1 12979109 NMBWXPZAECEESY-CQSZACIVSA-N 333.884 4.841 0 40 EJAB CCCn1/c(=N/C(=O)/C=C/c2cccs2)sc2cc(C)ccc21 13283952 LGHBLXCCMTXQQI-GNIJCECWSA-N 342.489 4.623 0 40 EJAB C(=C/COc1cccc2cccnc12)\COc1cccc2cccnc12 17117967 GJLYROZPWGOINV-OWOJBTEDSA-N 342.398 4.797 0 40 EJAB Cc1nc(CSc2nc3ccccc3o2)c(Br)s1 27029022 JTFHCJIMCZAITK-UHFFFAOYSA-N 341.255 4.648 0 40 EJAB CCn1cc(C(=O)N(C)[C@@H](C)c2ccccc2OC)c2ccccc21 40070319 KQINIKOWQQPIPI-HNNXBMFYSA-N 336.435 4.503 0 40 EJAB Cc1cccc(C2=NC3(CCCC3)N(C(=O)c3ccccc3)C2=S)c1 45932657 QRBXVFBOTCAKCE-UHFFFAOYSA-N 348.471 4.538 0 40 EJAB CSc1ccc(CN(C)CC(=O)c2c(C)[nH]c3ccccc23)cc1 58165256 BQIGJNNIIBHPIB-UHFFFAOYSA-N 338.476 4.513 0 40 EJAB O=C(Nc1ccccc1-c1nnc(-c2ccccc2)o1)c1ccccc1 95554922 YPQFXNOONSIQPQ-UHFFFAOYSA-N 341.370 4.656 0 40 EJAB CCc1ccc(NC(=O)c2sc3ncccc3c2-n2cccc2)cc1 98212135 MIETYZVKRGANRU-UHFFFAOYSA-N 347.443 4.902 0 40 EJAB CC1CCN(C(=S)c2ccc(OCc3cccc(F)c3)cc2)CC1 106377775 ODHDMAHBZORFJA-UHFFFAOYSA-N 343.467 4.812 0 40 EJAB C[C@H](N[C@H](C[C@@H]1CCOC1)c1ccccc1)c1ncc(C(C)(C)C)o1 192758401 YUAZECNHUZQIIG-XYJFISCASA-N 342.483 4.791 0 40 EJAB COc1ccc(Cl)c(NC(=O)Nc2cnn(C3CCCC3)c2C)c1 193466008 GIROREKXSGRGQJ-UHFFFAOYSA-N 348.834 4.613 0 40 EJAB Cc1cc(C)cc(C(=O)N2CCS[C@H](c3ccccc3)CC2)c1 211140497 WWEBIKKPONXIHW-IBGZPJMESA-N 325.477 4.624 0 40 EJAB Cc1ccc(OC[C@@H](C)NC(=O)c2ccccc2SC(C)C)cc1 219656530 KFHCHJCWZNXNLC-MRXNPFEDSA-N 343.492 4.693 0 40 EJAB C[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc2ccccc2c1 222780851 WNKZUBDNCDCJLV-AWEZNQCLSA-N 339.822 4.577 0 40 EJAB Cc1cccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c1 222947658 YRRCDPBWUKSXSF-DLBZAZTESA-N 337.463 4.519 0 40 EJAB C[C@H](NC(=O)c1cc2cc3ccccc3nc2s1)c1ccccc1 223127295 XEYBHYMWIMXABH-ZDUSSCGKSA-N 332.428 4.941 0 40 EJAB C[C@H]1CCCN(Cc2ccc(C(=O)NC(C)(C)CC(C)(C)C)cc2)C1 224332946 QIQCSEPHUUNZCK-KRWDZBQOSA-N 344.543 4.863 0 40 EJAB C[C@H](CNC(=O)CSCc1cccc2ccccc12)c1ccccc1 224953894 KVLSJMODNBTFKG-QGZVFWFLSA-N 349.499 4.993 0 40 EJAB Cc1ccnc(NC(=S)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c1 225408984 DLZACOPPXQOKTH-AWEZNQCLSA-N 327.497 4.735 0 40 EJAB COc1ccc(-c2nc3cc(-n4cccc4)cc(C)c3o2)cc1OC 226247684 OPWFOLZDJKVOTA-UHFFFAOYSA-N 334.375 4.611 0 40 EJAB CCN(C(=O)C(F)(F)F)c1ccc2oc(-c3cccc(C)c3)nc2c1 226282007 ZFKCPTANCYRJQN-UHFFFAOYSA-N 348.324 4.718 0 40 EJAB Cc1cc(N)ccc1NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 227144639 QCVONMHHJXRDEG-UHFFFAOYSA-N 326.783 4.743 0 40 EJAB Cc1ccccc1CSCCNC(=O)/C=C/c1ccc(Cl)cc1 409025842 YELKFLKPQYKUPV-DHZHZOJOSA-N 345.895 4.711 0 40 EJAB C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NCc2ccc(-c3ccccc3)o2)o1 614967920 HIAWTFOFBLPZJI-BEFAXECRSA-N 349.430 4.912 0 40 EJAB O=C(NC[C@@H](c1ccco1)c1cccs1)c1ccc(Cl)s1 825566728 NMTBNACTXYQAHC-JTQLQIEISA-N 337.853 4.618 0 40 EJAB O=C(c1ccccc1C(F)(F)F)N1CCC(Cc2ccccc2)CC1 27166 LUHHARLTABWBTO-UHFFFAOYSA-N 347.380 4.800 0 40 EJAB in-vitro CCOc1ccc(/C=C/C(=O)Oc2cc(C)c(Cl)c(C)c2)cc1 144509 CTBHIHIBSWRZCF-JXMROGBWSA-N 330.811 4.974 0 40 EJAB COc1ccccc1O[P@](C)(=O)Nc1cc(Cl)ccc1C 326106 LAUXOQQIVLLHOY-NRFANRHFSA-N 325.732 4.971 0 40 EJAB Cc1cc(C)c2nc(SCC(=O)Nc3ccccc3)c(C)cc2c1 411906 RAPKMEDKKGANLK-UHFFFAOYSA-N 336.460 4.891 0 40 EJAB Cc1cc(C)cc(C(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)c1 512862 CXMKVWAMUVNLAZ-UHFFFAOYSA-N 343.386 4.759 0 40 EJAB Cc1cc(-c2ccco2)c2c(N)c(C(=O)c3ccccc3)sc2n1 544675 UHTDVHUGTAUDLJ-UHFFFAOYSA-N 334.400 4.678 0 40 EJAB COc1ccc(NC(=O)Cc2ccc(-c3ccccc3)cc2)cc1OC 2654555 LNLKASOGEVUOJC-UHFFFAOYSA-N 347.414 4.552 0 40 EJAB COc1ccc(Cl)cc1C(=O)Nc1nc(-c2ccccc2)cs1 3107716 TTWAKPAXOMPBLZ-UHFFFAOYSA-N 344.823 4.724 0 40 EJAB Cc1ccc2c(CC(=O)Nc3ccccc3OC(F)F)coc2c1 3528527 HDOHRPHPLXSNPF-UHFFFAOYSA-N 331.318 4.524 0 40 EJAB CC(C)c1ccc(-c2nc(COC(=O)c3ccco3)cs2)cc1 5080267 KZNMPTZNQHGGKR-UHFFFAOYSA-N 327.405 4.884 0 40 EJAB COc1ccc(OCCCC(=O)Nc2ccccc2C(C)C)cc1 5644740 WFLMWDBALVWBLM-UHFFFAOYSA-N 327.424 4.616 0 40 EJAB Cc1ccc(S(=O)(=O)NC2CCCCCCCCCCC2)cc1 5929719 QYZNWZHHNTZSLN-UHFFFAOYSA-N 337.529 4.947 0 40 EJAB Cc1ccc(CSc2nnc(-c3cc4ccccc4o3)n2C)cc1 6204567 DGNOENVGHOFURT-UHFFFAOYSA-N 335.432 4.829 0 40 EJAB CN(C)c1ccc([C@H]2CNC3(CCCC3)c3[nH]c4ccccc4c32)cc1 6831376 BLLNFIQAEYQQEA-LJQANCHMSA-N 345.490 4.738 0 40 EJAB C[C@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc(Cl)cc3)=NN12 12273852 RBWGKDKKNHJEOR-QLJPJBMISA-N 333.218 4.883 0 40 EJAB CN(C)c1ccc(NC(=O)CCC(=O)c2ccc3ccccc3c2)cc1 12563894 SIJNQONCVDDFTK-UHFFFAOYSA-N 346.430 4.507 0 40 EJAB Cc1ccccc1/C=C/C(=O)N1CCC[C@@H]1c1nc2ccccc2s1 13002091 BJNKCUUHULWUNG-QFQMRYFISA-N 348.471 4.982 0 40 EJAB CCOc1ccc2nc(Cl)c(CNCCc3ccccc3)cc2c1 13535362 ZNQQQXONYBDHIP-UHFFFAOYSA-N 340.854 4.619 0 40 EJAB C[C@H](Oc1cccc2ccccc12)C(=O)NC1CCCCCCC1 13709475 XWPDXHVRSSAPJU-INIZCTEOSA-N 325.452 4.836 0 40 EJAB O=C(CSc1ccccc1)Nc1ccc(-c2nccs2)cc1 14076586 NRSXBQGBNSEEJF-UHFFFAOYSA-N 326.446 4.541 0 40 EJAB O=C(Cc1ccccc1)N[C@H](c1ccccc1)c1ccc(Cl)cc1 14242164 ZROMNJWMGYIBFX-OAQYLSRUSA-N 335.834 4.788 0 40 EJAB O=C(c1ccccc1Cl)N1CC=C(c2c[nH]c3ccccc23)CC1 14349123 DDARFMYSPQXTIK-UHFFFAOYSA-N 336.822 4.751 0 40 EJAB CCc1cccc(CC)c1Nc1nnc(SC[C@@H]2CCCO2)s1 14676404 HRRODCJOWHVOOV-AWEZNQCLSA-N 349.525 4.678 0 40 EJAB CCOc1ccc(NC(=O)c2cccc(Cl)c2)c2cccnc12 15840847 OTHBCNJUGJBDRZ-UHFFFAOYSA-N 326.783 4.539 0 40 EJAB Cc1ccc2c(CC(=O)Nc3ccccc3OC(F)(F)F)coc2c1 16724667 BAZWYFQKQSBBRN-UHFFFAOYSA-N 349.308 4.821 0 40 EJAB COc1ccc(CN[C@H](Cc2ccsc2)c2nc(C)cs2)cc1 19240231 KWRPUZQFLVRAOT-QGZVFWFLSA-N 344.505 4.595 0 40 EJAB O=C(/C=C/c1ccc(Cl)c(C(F)(F)F)c1)NCc1cccs1 36333610 YCZGWNARWSZTSQ-GQCTYLIASA-N 345.773 4.750 0 40 EJAB C[C@@H](NC(=O)c1[nH]c2ccc(F)cc2c1Cl)c1cccc(F)c1 40144973 OVEJUQMGDSPWLO-SECBINFHSA-N 334.753 4.591 0 40 EJAB CC(C)c1ccccc1O[C@@H](C)C(=O)NCc1ccccc1Cl 44880507 QDWOUZLTEONCAQ-AWEZNQCLSA-N 331.843 4.547 0 40 EJAB Cc1csc([C@H]2CCCCN2C(=O)C[C@H]2CCc3ccccc32)n1 72285665 HQTWPCIYSFRWBY-SJLPKXTDSA-N 340.492 4.625 0 40 EJAB CC(C)(C)C(=O)N1CCCCC[C@H]1c1cc(-c2ccc(F)cc2)on1 72338410 ICDOOYTUDNMENZ-KRWDZBQOSA-N 344.430 4.971 0 40 EJAB c1ccc(CN2CC[C@@H](NC3CCCC3)[C@H](c3ccccc3)C2)cc1 72341601 NCIDXTBGDVKDPB-XZOQPEGZSA-N 334.507 4.577 0 40 EJAB OCc1cc(Cl)cc(Cl)c1OCc1c(F)cccc1Cl 95095019 JPPSKLUBWOFZAH-UHFFFAOYSA-N 335.589 4.857 0 40 EJAB COc1cc([C@H](C)NCc2ncccc2C)ccc1SC(F)F 95967776 OTXYRKGTJFFCOP-LBPRGKRZSA-N 338.423 4.564 0 40 EJAB C/C(=C\C(=O)Nc1cccc(C(F)(F)F)c1)NCc1ccc(C)cc1 100095412 QRANTVAHJLWDJV-GXDHUFHOSA-N 348.368 4.646 0 40 EJAB Cc1ccc(C)c(CC(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)c1 219276650 YBRNYTMDHLVQRK-IBGZPJMESA-N 337.463 4.573 0 40 EJAB Cc1ccccc1OC[C@H](C)NC(=O)CCc1cccc2ccccc12 222677059 BFSGQJPBHNIPQE-SFHVURJKSA-N 347.458 4.665 0 40 EJAB O=C(CSc1ccc(Cl)cc1)NCc1ccc2ccccc2c1 222747922 HLPDBOVQGJPKPF-UHFFFAOYSA-N 341.863 4.902 0 40 EJAB Cc1cc(O[C@@H](C)C(=O)N[C@@H](C)CCc2ccccc2)ccc1Cl 222847435 SBFLHNDQHBRQHW-HOTGVXAUSA-N 345.870 4.553 0 40 EJAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NC[C@H](C)c1ccccc1 224128674 CZYFPSUZDBZKOS-DLBZAZTESA-N 339.479 4.671 0 40 EJAB CCc1ccc(C[C@H](Oc2ccccc2C(C)(C)C)C(=O)O)cc1 225042782 KZIVOZGFGWHHOR-IBGZPJMESA-N 326.436 4.621 0 40 EJAB CCCNC(=S)Nc1cccnc1Sc1ccc(Cl)cc1 225189624 NDIRNGGGUZXMOI-UHFFFAOYSA-N 337.901 4.583 0 40 EJAB CCCCOc1c(C)cc(NC(=O)[C@@](C)(OCC)C2CC2)cc1C 225725390 LHYUVVAQLLGHMY-FQEVSTJZSA-N 333.472 4.626 0 40 EJAB CC[C@H](NC(=O)c1ccc(OC)c(Cl)c1)c1ccc(C)cc1C 225800226 PTKPHGPADAJXQH-KRWDZBQOSA-N 331.843 4.847 0 40 EJAB O=C(O)c1ccc(-c2cc(Cl)c(Br)cc2Cl)o1 226244335 YPIFOGZSLASHQM-UHFFFAOYSA-N 335.968 4.714 0 40 EJAB O=C(Nc1ccccc1C(F)(F)F)c1ccc([C@H]2CCCOC2)cc1 390834251 VDZATHJNMAXOOS-HNNXBMFYSA-N 349.352 4.852 0 40 EJAB CSc1nsc(SC)c1NC(=O)Nc1ccc(Cl)cc1 180357 RXBBGOIFSQPKTK-UHFFFAOYSA-N 345.902 4.884 0 40 EJAB CC(=O)Nc1cc(-c2ccc(C(C)(C)C)cc2)nn1-c1ccccc1 233482 KMPFCAAQIAJNID-UHFFFAOYSA-N 333.435 4.795 0 40 EJAB Cc1sc(NC(=O)c2ccc(F)cc2)nc1-c1ccc(F)cc1 260341 GXDOVFCWNCYEGU-UHFFFAOYSA-N 330.359 4.649 0 40 EJAB CCOc1ccc(/C(=C/c2ccc(Cl)cc2)C(=O)O)cc1OCC 1311795 NDQCLCLFLWQTJI-WJDWOHSUSA-N 346.810 4.763 0 40 EJAB Cc1ccc([C@@H]2C[C@@H](c3cccc(Cl)c3)n3ncnc3N2)cc1C 2919586 JGQKRLCBLLUPJI-ROUUACIJSA-N 338.842 4.695 0 40 EJAB CCOC(=O)c1cnc(-c2ccccc2)nc1Nc1ccc(C)cc1C 3140351 MJWFSCMREHGINX-UHFFFAOYSA-N 347.418 4.681 0 40 EJAB Cc1cccc(-c2nnc(NC(=O)c3c(F)cccc3Cl)s2)c1 4079049 OWZALHYZQHLWEZ-UHFFFAOYSA-N 347.802 4.558 0 40 EJAB COc1ccc2nc(Nc3nc4c(OC)cccc4s3)sc2c1 4121601 MINJMLDYZZPBEZ-UHFFFAOYSA-N 343.433 4.667 0 40 EJAB CSc1cccc(NC(=O)COc2cc(Cl)ccc2Cl)c1 4317087 SCRHZFVODDQXJU-UHFFFAOYSA-N 342.247 4.733 0 40 EJAB Cc1cccc(Nc2nc(C(=O)N(C)C3CCCCC3)cs2)c1 4688465 MFVPBRQLMXUPBU-UHFFFAOYSA-N 329.469 4.600 0 40 EJAB C[C@H](NC(=O)C[C@@H](c1ccc(F)cc1)c1ccco1)c1ccccc1 5478416 MMNJAEVCVXIQDG-KXBFYZLASA-N 337.394 4.818 0 40 EJAB CCCOc1ccc(C(=O)Nc2cccc(Cl)c2)cc1OCC 6152279 CQTAQEZRGZAQOI-UHFFFAOYSA-N 333.815 4.780 0 40 EJAB Cc1nc2cc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)ccc2o1 7036587 AUKVQGUCNMXZEF-UHFFFAOYSA-N 344.798 4.586 0 40 EJAB Cc1cc(Cl)ccc1OCCCC(=O)N[C@@H](C)c1cccs1 7792680 XNUIQDNNDSMUEB-ZDUSSCGKSA-N 337.872 4.746 0 40 EJAB Cc1ccccc1/C=C1/SC(=O)N(Cc2ccccc2Cl)C1=O 8570761 LWYSXZWXPAMZMA-MHWRWJLKSA-N 343.835 4.885 0 40 EJAB Cc1nc2ccc(OCC(C)C)cc2c(O)c1CN1CCC(C)CC1 8717970 XGOFSKTVJROTAW-UHFFFAOYSA-N 342.483 4.516 0 40 EJAB O=C(c1ccc(-c2ccc(F)cc2)o1)N1CCC[C@@H](C(F)(F)F)C1 10287663 GQISVZLUDZENDE-GFCCVEGCSA-N 341.304 4.500 0 40 EJAB COc1ccccc1-c1nnc(SCc2ccc(Cl)cc2)o1 12177309 HBEVOYPDOTYQHI-UHFFFAOYSA-N 332.812 4.691 0 40 EJAB Fc1ccc(F)c(NC(=S)Nc2cccc(C(F)(F)F)c2)c1 13787692 ZSADIGZBEGVFAP-UHFFFAOYSA-N 332.297 4.793 0 40 EJAB CCCCCC(=O)Nc1cccc(-c2cc3ccccc3oc2=O)c1 14258524 MKZHTJMEYFIDQT-UHFFFAOYSA-N 335.403 4.979 0 40 EJAB Cc1cc(Cl)ccc1OC(=O)Cc1nc(-c2ccccc2)oc1C 14898897 FMMOMBMZOHEYDF-UHFFFAOYSA-N 341.794 4.760 0 40 EJAB CCCCCCOc1ccccc1C(=O)Nc1ccc(N)cc1C 19736404 BIRWOSCKWWWSGC-UHFFFAOYSA-N 326.440 4.789 0 40 EJAB O=C(c1cc2cc(Br)ccc2o1)c1ccc(F)cc1F 20362309 LDLGYMUHJUJCJV-UHFFFAOYSA-N 337.119 4.705 0 40 EJAB CC[C@@H](NC(=O)[C@H](C)Sc1ccc(C)cc1)c1ccc(OC)cc1 23649836 SVNAOPBNGGJOEO-HNAYVOBHSA-N 343.492 4.752 0 40 EJAB Cc1nc2cc(N[C@@H](C)C(=O)Nc3ccccc3C(C)C)ccc2o1 24927616 QFGIXBHNQMHFNL-ZDUSSCGKSA-N 337.423 4.699 0 40 EJAB O=C(c1ccc2ncsc2c1)N1CCSc2ccc(Cl)cc21 32802007 SQUJWEVXFVRYBI-UHFFFAOYSA-N 346.864 4.702 0 40 EJAB Cc1ccccc1/C=C1\SC(=O)N(c2ccc(Cl)cc2)C1=O 39860648 ORKSHJBSWHCUEP-GDNBJRDFSA-N 329.808 4.889 0 40 EJAB COc1ccccc1NC(=O)[C@@H](C)SCc1ccccc1Cl 45089817 VWMSVBZWDNSZGS-GFCCVEGCSA-N 335.856 4.609 0 40 EJAB O=[S@@](Cc1cccc(Cl)c1)Cc1cccc(C(F)(F)F)c1 58203481 PQSYIQQTQRTVCA-NRFANRHFSA-N 332.774 4.808 0 40 EJAB CCc1ccc(O[C@@H](CC)C(=O)N[C@@H](C)c2ccc(C)c(C)c2)cc1 59351344 RPTOFZBNPSDOQO-UWJYYQICSA-N 339.479 4.901 0 40 EJAB Cc1ccc(C)c([C@@H](C)NC(=O)COc2cccc3ccccc23)c1 59351445 HUFVHFADZXNZQY-QGZVFWFLSA-N 333.431 4.713 0 40 EJAB CC(C)CNc1ncccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C 72213282 BUEZITDDUVQKGB-INIZCTEOSA-N 333.476 4.612 0 40 EJAB O=C(c1ccccc1)N1CCCC[C@@H]1c1ccc(NC2CCCC2)nc1 72213994 XUEPRHGUEQKBJX-HXUWFJFHSA-N 349.478 4.804 0 40 EJAB CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)c2cc(-c3ccc(F)cc3)no2)C1 101639695 PGWRDOBGUKDGOG-QRWLVFNGSA-N 342.414 4.522 0 40 EJAB Fc1ccc(CN2CC=C(c3nc4cc(Cl)ccc4o3)CC2)cc1 138165387 IJOBYVQRNGEHJQ-UHFFFAOYSA-N 342.801 4.910 0 40 EJAB CC[C@@H](NC(=O)/C=C/c1ccc(F)cc1)c1ccc2c(c1)CCCC2 223014710 MRQRPHCKJNROHS-ZGQNHIEXSA-N 337.438 4.985 0 40 EJAB CC[C@@H](NC(=O)c1cc(Cl)ccc1OC)c1ccc(OC)c(C)c1 225042264 OXCXUOSICNZECH-MRXNPFEDSA-N 347.842 4.547 0 40 EJAB Cc1cc(Cl)ccc1NC(=O)COc1cccc2c1CCCC2 225084777 FOSGQYHCAPBUQE-UHFFFAOYSA-N 329.827 4.545 0 40 EJAB Cc1cc(C)cc(O[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)O)c1 225085487 WJRLGBMFANXBMW-INIZCTEOSA-N 339.218 4.685 0 40 EJAB CCCC[C@H](CC)CNC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2 225115426 PFJSEXSCQIBIFH-SJORKVTESA-N 331.500 4.665 0 40 EJAB Cc1cc(C)c(C(=O)Nc2ccc(Br)c(C)c2)cc1C 225641307 YYHAMHMFYKLKTJ-UHFFFAOYSA-N 332.241 4.935 0 40 EJAB CCOc1ccc(NC(=S)NC2(c3ccccc3)CCCC2)cc1 225848202 KOXGKBARYXPZJJ-UHFFFAOYSA-N 340.492 4.841 0 40 EJAB Cc1ccc(C(=O)Nc2cccc(-c3ccc(C(=O)O)o3)c2C)cc1 226355858 YETNPGJJIKOKFS-UHFFFAOYSA-N 335.359 4.514 0 40 EJAB CCSCc1cccc(NC(=O)c2ccncc2C(F)(F)F)c1 252479775 BMSVZYRVLJGQPN-UHFFFAOYSA-N 340.370 4.606 0 40 EJAB Cc1ccc(CSc2nnc(-c3ccncc3)n2CC(C)C)cc1 203515 AFYIGZAAISDEEH-UHFFFAOYSA-N 338.480 4.597 0 40 EJAB Fc1ccc([C@@H]2C[C@H](c3cccc4ccccc34)n3ncnc3N2)cc1 803100 CVFMKIFBLUUWFW-VQTJNVASSA-N 344.393 4.717 0 40 EJAB CC(C)N(C[C@H](c1ccccc1)[C@@](C)(O)c1ccccc1)C(C)C 1670732 PKBJERGOXGFAOR-YADHBBJMSA-N 325.496 4.797 0 40 EJAB O=P(Nc1ccccn1)(Oc1ccccc1)Oc1ccccc1 2727357 UNKURGNQSBPFNC-UHFFFAOYSA-N 326.292 4.760 0 40 EJAB O=C(COc1ccc2c(c1)CCC2)Nc1ccccc1-c1ccccc1 3403718 KENKJZWUIDGOOO-UHFFFAOYSA-N 343.426 4.860 0 40 EJAB CC[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccccc2F)N3)C1 4545378 GHPOYLXPLVUNHT-HWPZZCPQSA-N 330.428 4.831 0 40 EJAB C[C@@]12Cc3cnoc3C=C1CC[C@@H]1[C@@H]3CC[C@@](C)(O)[C@@]3(C)CC[C@H]12 4802413 NYIRPOUXYQWAQW-DADBAOPHSA-N 327.468 4.608 0 40 EJAB C=C/C=C(\C=C(C)C)N(C(=O)NC1CCCCC1)C1=NCCCS1 4966975 FZVHZBLOMRZQNL-RQZCQDPDSA-N 347.528 4.860 0 40 EJAB C[C@@H]1CCN(C(=O)COc2ccccc2Cl)c2ccccc2S1 5861603 ZRBAYOHUFWLYDQ-CYBMUJFWSA-N 347.867 4.636 0 40 EJAB COc1ccc(-c2nc(NC(=O)c3cccc(C)c3)sc2C)cc1 6216830 NTXTVGPRWPIPNC-UHFFFAOYSA-N 338.432 4.688 0 40 EJAB C[C@@H]1CCC[C@@]2(CCc3cc4c5c(c(=O)oc4cc3O2)CCCC5)C1 9135104 WVUOPDJQAXABCC-JLCFBVMHSA-N 338.447 4.946 0 40 EJAB COc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc(C)cs2)cc1 9305153 AAUHHFWGMVBEBO-IBGZPJMESA-N 349.459 4.816 0 40 EJAB Fc1ccc(CN[C@@H](Cc2cccs2)c2nccs2)cc1F 19343337 YKLHOEWNHMNIDZ-HNNXBMFYSA-N 336.432 4.556 0 40 EJAB CC(C)Oc1cccc(NCc2ccc(OC[C@@H]3CCCO3)cc2)c1 19737513 YPVVMACSZXICJN-NRFANRHFSA-N 341.451 4.644 0 40 EJAB COCc1cccc(NC(=O)c2cc(F)c(Cl)cc2Cl)c1 25335228 ODEFHNZHXNYQTQ-UHFFFAOYSA-N 328.170 4.531 0 40 EJAB CCCCCc1ccc(/C=C\C(=O)Nc2ccccc2C(=O)O)cc1 31260879 GAMRBCZMOOMBSQ-PFONDFGASA-N 337.419 4.769 0 40 EJAB CC1=C(C)c2cccc[n+]2/C1=C\C=C\C=C1/C(C)=C(C)c2cccc[n+]21 31949878 WTSOMBFUKCBEQS-GIPNHUFHSA-N 340.470 4.814 0 40 EJAB O=C(NC1CCCCC1)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 32908057 MLOMALNKIMMNEW-HOTGVXAUSA-N 340.492 4.795 0 40 EJAB Cc1cccc(NC(=O)N2CCC(c3nc4ccc(C)cc4[nH]3)CC2)c1 35291860 JAWVTWMAKSBRRY-UHFFFAOYSA-N 348.450 4.591 0 40 EJAB CCN(C(=O)CSc1nnc(C2CCCCC2)o1)C1=CCCCC1 39976036 KPRIBCDKDQDSNK-UHFFFAOYSA-N 349.500 4.516 0 40 EJAB Cc1cc2oc(C(=O)N3C[C@H](C)Oc4ccccc43)c(C)c2cc1C 41155516 WUEKZHDFEPOITD-AWEZNQCLSA-N 335.403 4.786 0 40 EJAB CCC(C)(C)NC(=O)c1cc(C(C)C)nc2c1c(C)nn2C(C)(C)C 84721101 LENIHIZHOYZDSB-UHFFFAOYSA-N 344.503 4.537 0 40 EJAB CCOc1ccccc1C(=O)N(Cc1ccoc1)Cc1cccs1 90612125 PYYJEZNIQXDHQB-UHFFFAOYSA-N 341.432 4.582 0 40 EJAB COc1ccccc1[C@H](C)N(C)C(=O)[C@H](C)c1ccc(Cl)s1 95964095 QIXFDTLMTNBCRE-NEPJUHHUSA-N 337.872 4.733 0 40 EJAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)N[C@H](C)c1cc(C)ccc1C 113970612 VLBFNSMPFPMDJI-UYAOXDASSA-N 339.479 4.955 0 40 EJAB Cc1ccc(OCCCC(=O)NCc2cccc3ccccc23)cc1 222858664 NKMRFEJNXMAARH-UHFFFAOYSA-N 333.431 4.624 0 40 EJAB CCCOc1ccc(NC(=O)[C@@](C)(CCC)OCC)cc1Cl 225695275 HQPVRHBPZLWCPN-QGZVFWFLSA-N 327.852 4.663 0 40 EJAB Cc1cccc(-c2nc3cc(NC(=O)C(F)(F)F)cc(C)c3o2)c1 226269401 JRYLQRPPDZEDGV-UHFFFAOYSA-N 334.297 4.612 0 40 EJAB COc1cc(C=O)cc(CSC)c1OCc1ccc(Cl)cc1 226288312 UPJQLHZOBVLMJV-UHFFFAOYSA-N 336.840 4.603 0 40 EJAB Cc1nnc(SCc2ccccc2F)n1-c1ccc(Cl)cc1 409095540 IGZMVZSVLFRQHF-UHFFFAOYSA-N 333.819 4.661 0 40 EJAB COc1ccc(CCc2nnc(SCC3CCCCC3)o2)cc1 1888922139 MIXVCCFPJVDNMM-UHFFFAOYSA-N 332.469 4.536 0 40 EJAB O=C(/C=C/c1ccco1)Nc1ncc(Cc2ccc(Cl)cc2)s1 134185 LAESLKXLXGTIPT-BQYQJAHWSA-N 344.823 4.632 0 40 EJAB Cc1cc(C)cc(Nc2ncnc3c2cnn3-c2ccc(Cl)cc2)c1 426390 LNTSVHDTCVIDLZ-UHFFFAOYSA-N 349.825 4.829 0 40 EJAB Cc1cc(C)nc(S[C@@H](C(=O)c2ccccc2)c2ccccc2)n1 479963 HVSSNKKYBIXOPL-LJQANCHMSA-N 334.444 4.810 0 40 EJAB CC[C@@H](C)c1ccc(OCC(=O)Nc2cc(Cl)ccc2OC)cc1 505683 VBUIMIZESDBRHN-CYBMUJFWSA-N 347.842 4.880 0 40 EJAB O=C(Nc1nc2c(Cl)c(Cl)ccc2s1)c1cccc(F)c1 587057 JJFLEPCWAGQOPD-UHFFFAOYSA-N 341.194 4.995 0 40 EJAB CCc1c(C)sc2ncn3nc([C@H]4C[C@H]4c4ccc(C)cc4)nc3c12 2808968 IXTIMDNXEMURGN-HOTGVXAUSA-N 348.475 4.789 0 40 EJAB CCOc1ccc2nc(NC(=O)Nc3ccccc3Cl)sc2c1 3422784 PUDKWGSDUZQZQZ-UHFFFAOYSA-N 347.827 4.992 0 40 EJAB CCn1cc(CC[C@@H](C)NC(=O)NC2CCCCC2)c2ccccc21 3765573 AOVSJVKTNDSBPI-MRXNPFEDSA-N 341.499 4.614 0 40 EJAB CC(C1=CC[C@@H](C(=O)O)C(C)(C)O1)(c1ccccc1)c1ccccc1 3845827 ODPZAMFARYWDFS-SFHVURJKSA-N 336.431 4.776 0 40 EJAB biogenic C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(CC(=O)O)=CC[C@@]43C)[C@@H]1CCC2=O 3849769 ZMIHCYKKQDEVNI-KZVLABISSA-N 330.468 4.609 0 40 EJAB biogenic c1ccc(CCN2CCN(c3ccc(C4CCCC4)cc3)CC2)cc1 4115709 PZGUBDJZDQGKRD-UHFFFAOYSA-N 334.507 4.709 0 40 EJAB Cc1cc(NC(=O)C(C)(C)C)cc(-c2nc3ccccc3s2)c1O 4988501 LVXLKSZFZBFQHO-UHFFFAOYSA-N 340.448 4.962 0 40 EJAB C[C@H](NC(=O)c1ccc(Cl)cc1)c1ccc(Br)cc1 5559347 YSPDGKBRUMBQIN-JTQLQIEISA-N 338.632 4.594 0 40 EJAB COc1ccc(Cl)cc1NC(=S)N1CCCc2cc(C)ccc21 6631123 KJDYOKQKWONPMD-UHFFFAOYSA-N 346.883 4.807 0 40 EJAB O=C(Nc1ccc(Cc2nc3ccccc3s2)cc1)c1ccncc1 6786066 NARMIPCBKCTYDL-UHFFFAOYSA-N 345.427 4.534 0 40 EJAB COc1ccccc1CN(C)C(=O)c1ccc(-c2ccccc2)cc1 6999986 VFELKVZRVVXWAW-UHFFFAOYSA-N 331.415 4.634 0 40 EJAB COc1ccc(S[C@@H](C)C(=O)Nc2cccc3ccccc23)cc1 7294661 KUAHIDVDDTUGRA-AWEZNQCLSA-N 337.444 4.968 0 40 EJAB Cc1ccccc1NC(=O)Cc1nc(-c2ccc(F)c(F)c2)cs1 7844831 GQWUCBQDWKPTIZ-UHFFFAOYSA-N 344.386 4.578 0 40 EJAB CCOc1cccc(NC(=O)CSCc2ccc(Cl)cc2)c1 13612673 KWGLCXQNRQSEPJ-UHFFFAOYSA-N 335.856 4.611 0 40 EJAB C[C@@H](Oc1ccccc1Cl)C(=O)Nc1cccc(C(F)(F)F)c1 13709646 UVDDUZFMFBDUJG-SNVBAGLBSA-N 343.732 4.765 0 40 EJAB COc1cc(C)c(CN2CCCCC[C@H]2c2cc(C)on2)cc1C 19567361 FNKLWGBOXHNUFM-IBGZPJMESA-N 328.456 4.726 0 40 EJAB C[C@H](NCc1ccc(-c2cccc(Cl)c2)o1)[C@@H](O)c1ccccc1 22076591 VZRPVBFYVPJKMO-VBKZILBWSA-N 341.838 4.812 0 40 EJAB CN(CCC(=O)Nc1c(Cl)cccc1Cl)Cc1ccsc1 22199641 ZBMRNWBYZIDQCY-UHFFFAOYSA-N 343.279 4.516 0 40 EJAB CCCOc1ccccc1NC(=O)CCCC(=O)c1cccs1 22963370 GGTBKDMHYKQROQ-UHFFFAOYSA-N 331.437 4.529 0 40 EJAB O=C(Nc1ccccc1O)c1ccc(CSc2ccccc2)o1 30603109 NXOLPRYMODNTSP-UHFFFAOYSA-N 325.389 4.530 0 40 EJAB COc1ccc([C@@H](CC(C)C)NC(=O)c2cccc(Cl)c2)cc1 30868647 NAAYMNBFZVLNGJ-GOSISDBHSA-N 331.843 4.866 0 40 EJAB Fc1cccc(NCc2nc(-c3ccc(C(F)(F)F)cc3)no2)c1 40040812 QUMHVGKKWVRJIP-UHFFFAOYSA-N 337.276 4.507 0 40 EJAB CCCCc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)cc1 40478320 AKYGWWUHBQRTHT-UHFFFAOYSA-N 337.398 4.811 0 40 EJAB Cn1nccc1[C@@H]1CCCN(Cc2sc3ccccc3c2Cl)C1 71808726 WDUDFPWQJNLLKU-CYBMUJFWSA-N 345.899 4.668 0 40 EJAB O=C1N=C(Nc2ccc(F)c(Cl)c2)/C(=C/c2ccncc2)S1 72401588 NYLURIJXYHEOGF-QPEQYQDCSA-N 333.775 4.592 0 40 EJAB Cc1cc(Nc2ccccc2C(=O)O)c2cc(Cl)cc(C)c2n1 78401677 IHQWJKDCPQXMMX-UHFFFAOYSA-N 326.783 4.947 0 40 EJAB CC(C)c1ccsc1C(=O)O[C@@H](C)c1nnc(-c2cccs2)o1 84630681 AQBBLBWHQSHQFW-JTQLQIEISA-N 348.449 4.901 0 40 EJAB O=C(Nc1ccc(SC(F)F)cc1)c1ccc2ncccc2c1 97075443 ANLHPLCCUSKBEI-UHFFFAOYSA-N 330.359 4.802 0 40 EJAB O=C(Nc1ccnn1C1CCCC1)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 102893826 UNLKOQMPWBPRKF-CXTCDGGRSA-N 347.890 4.515 0 40 EJAB Cc1ncsc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccccc3)=NN12 105972641 DTWUYRHBYJFWGS-XLIONFOSSA-N 347.443 4.694 0 40 EJAB Cc1cccc(OCC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c1C 222817691 RPNCLTZGQHOHNN-KRWDZBQOSA-N 339.479 4.857 0 40 EJAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCc1cccc2ccccc12 222873491 ITWKVIDYHYQYPH-NRFANRHFSA-N 347.458 4.930 0 40 EJAB CCOCc1cc(C(=O)Nc2c(C)cc(C)cc2C)ccc1OCC 224700321 WAUJSFKKPJJMHE-UHFFFAOYSA-N 341.451 4.799 0 40 EJAB CC[C@@H](C)Oc1c(C)cc(NC(=O)C(Cl)(Cl)Cl)cc1C 225591410 GONGVAYAWNBKGK-SNVBAGLBSA-N 338.662 4.789 0 40 EJAB O=C(c1cc(Cl)cc(Cl)c1Cl)C(F)(F)Br 308813898 UGCFHKBKXBJPSW-UHFFFAOYSA-N 338.362 4.817 0 40 EJAB S=C(Nc1ccc2nsnc2c1)Nc1cccc2ccccc12 408996358 DFCRWFXXHNZQTR-UHFFFAOYSA-N 336.445 4.653 0 40 EJAB CCOc1cc(-c2nc(O)c3ccccc3n2)ccc1O[C@H](C)CC 1505840467 MJMCZNFUEAGLCB-CYBMUJFWSA-N 338.407 4.578 0 40 EJAB COc1cc(CNc2ccc(N3CCCC3)cc2)cc(Cl)c1OC 386389 PVTJLEVGBWKJFS-UHFFFAOYSA-N 346.858 4.570 0 40 EJAB CC(C)=Cc1oc2c(Cl)cc(Cl)cc2c1N1CCOCC1 509641 RSRYZPNDRSSMIS-UHFFFAOYSA-N 326.223 4.999 0 40 EJAB Clc1ccc(-c2nn3c(-c4ccccc4Cl)nnc3s2)cc1 527054 XRVPJQKHDKGOGY-UHFFFAOYSA-N 347.230 4.827 0 40 EJAB CCOC(=O)c1c(NC(=O)c2ccc(Cl)s2)sc(C)c1C 4079218 PGFDRDAQTRQOFS-UHFFFAOYSA-N 343.857 4.509 0 40 EJAB CC(=O)NC[C@]1(C)CCC[C@@]2(C)c3ccc(C(C)C)cc3CC[C@@H]12 4776362 FODXIORRSBDQQV-FKBYEOEOSA-N 327.512 4.956 0 40 EJAB O=C1Nc2cc(C(F)(F)F)ccc2/C1=C\c1cc(Cl)ccc1O 5764042 ZTCLGWOPHBAXJC-WUXMJOGZSA-N 339.700 4.557 0 40 EJAB CCCC[C@@H](C(=O)O)c1nc(-c2ccc(C)cc2)n(-c2ccccc2)n1 5793180 UIIRRCQTDCAYRT-GOSISDBHSA-N 349.434 4.601 0 40 EJAB C[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(Cl)cc1 6053054 OOLFOTWKIOTGJB-ZDUSSCGKSA-N 325.795 4.899 0 40 EJAB CC(C)(C)c1ccc(NC(=O)CN[C@H]2CCCc3ccccc32)cc1 6313559 OXDDHNUWUCZFOE-FQEVSTJZSA-N 336.479 4.590 0 40 EJAB CSc1ccc(/C=C/C(=O)OCc2nc3ccccc3s2)cc1 6362629 DFCJQRFHCQNAFW-DHZHZOJOSA-N 341.457 4.775 0 40 EJAB CC(C)c1ccc2occ(CC(=O)Nc3nnc(C(C)C)s3)c2c1 6809914 HYWKJMFFRYLANK-UHFFFAOYSA-N 343.452 4.712 0 40 EJAB COCc1ccc(C(=O)Nc2cccc(/C=C/c3ccccn3)c2)cc1 7779257 HWRTWVCDXRICRQ-JLHYYAGUSA-N 344.414 4.651 0 40 EJAB Cc1ccc(C(=O)CSc2nc(C)c(-c3ccccc3)[nH]2)c(C)c1 8813837 YFEFAIATNZHZAM-UHFFFAOYSA-N 336.460 4.977 0 40 EJAB CC[C@@H](C)c1ccccc1OCC(=O)Nc1ccc2oc(C)nc2c1 9709956 HDXWBOCDJSXGTI-CYBMUJFWSA-N 338.407 4.667 0 40 EJAB O=C(N[C@@H](c1ccc2c(c1)CCCC2)c1cccs1)C1CCC1 12738196 KAYJFGUMOQHKPB-IBGZPJMESA-N 325.477 4.633 0 40 EJAB C[C@H](SCCC(=O)NCc1ccccc1Cl)c1ccccc1 12979111 NMBWXPZAECEESY-AWEZNQCLSA-N 333.884 4.841 0 40 EJAB CC(C)CC(=O)Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1 14257866 NBHLEAQBNNVRMA-UHFFFAOYSA-N 329.787 4.528 0 40 EJAB CCCCCC(=O)Nc1ccc(-c2cs/c(=N\CC)n2CC)cc1 15982075 VXCHNXVRQKNDOE-VXPUYCOJSA-N 345.512 4.676 0 40 EJAB Cc1ccc(O[C@H](C)C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)cc1 21830007 QNYOTJVFZZWZPH-AUUYWEPGSA-N 343.854 4.683 0 40 EJAB Cc1ccc(C)c([C@@H](C)NC(=O)CCc2ncc(-c3ccccc3)o2)c1 24961330 YVFTXOFPBIMCSA-QGZVFWFLSA-N 348.446 4.768 0 40 EJAB CC1=C[C@H](C)[C@H](CNCCNC[C@H]2[C@H](C)C=C(C)C[C@H]2C)[C@H](C)C1 34378052 XPPZSKFTXPXUHK-BTOHRNCKSA-N 332.576 4.642 0 40 EJAB C[C@H](NC(=O)c1[nH]c2ccc(F)cc2c1Cl)c1ccc(F)cc1 40144552 TYUXNEMIYOJPHV-VIFPVBQESA-N 334.753 4.591 0 40 EJAB COc1ccc2oc(C)c(C(=O)Nc3cc(Cl)ccc3OC)c2c1 41156516 BZURMWQFKHVWIL-UHFFFAOYSA-N 345.782 4.664 0 40 EJAB Cc1cccc(OCc2nnc(SCc3ccccc3Cl)o2)c1 58122652 SZYRWBPMPHFXPN-UHFFFAOYSA-N 346.839 4.903 0 40 EJAB O=C(c1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1)N1CCCCC1 59052453 CZPRBGORIXQADI-UHFFFAOYSA-N 339.826 4.509 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccc(C)c(C)c2)c(C)c1 59351618 SEQWKONFOURCEF-MSOLQXFVSA-N 325.452 4.565 0 40 EJAB CCC(=O)N1c2ccccc2[C@](C)(c2ccc(OC)cc2)CC1(C)C 59501069 ZQOAUKHWMIEXSQ-QFIPXVFZSA-N 337.463 4.927 0 40 EJAB CCOC(=O)C1(Cc2ccccc2Br)CCCCC1 85347998 PSOGTOHFGDCQIH-UHFFFAOYSA-N 325.246 4.505 0 40 EJAB CC[C@H](C(=O)Nc1cccc(-c2cnc3n2CCC3)c1)c1ccccc1 85471565 URTJCVJWCYDCMB-IBGZPJMESA-N 345.446 4.629 0 40 EJAB Cc1cc(NC[C@H](c2ccco2)N2CCCCC2)c2ccccc2n1 89583130 MPROOBHSBJVVIX-HXUWFJFHSA-N 335.451 4.775 0 40 EJAB Cn1cc(NC(=O)c2ccc(Cl)cc2Cl)c(-c2ccccc2)n1 91144443 OZBKPKKZRGGAQU-UHFFFAOYSA-N 346.217 4.646 0 40 EJAB CC(C)c1sc(Cl)nc1C(=O)N1CCC(c2ccccc2)CC1 95473263 HRYUBPMABQWPOD-UHFFFAOYSA-N 348.899 4.940 0 40 EJAB C[C@H](NC(=O)c1ccc(OC2CCCC2)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 102600684 GDIISEFXYHACFU-PYWIUJKZSA-N 327.468 4.563 0 40 EJAB Cc1c(C=O)c2ccccc2n1Cc1cccc(Br)c1 216946121 ZFDBAOTUUUKFOP-UHFFFAOYSA-N 328.209 4.573 0 40 EJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1F 222870235 MQJJUMWJGDDRAN-IBGZPJMESA-N 327.399 4.501 0 40 EJAB O=C(CCc1ccc(Cl)c(Cl)c1)N1CCc2ccccc2C1 225323050 COMXPNTVIOBTPQ-UHFFFAOYSA-N 334.246 4.511 0 40 EJAB CCCCOc1ccc(NC(=O)[C@](C)(CC(C)C)OCC)cc1C 225689995 QDKKWQHVVKTYNC-FQEVSTJZSA-N 335.488 4.954 0 40 EJAB Cc1cccc(-c2noc(CCC(=O)Nc3ccc(C(C)C)cc3)n2)c1 225813479 JKZWOEXFKAZFNW-UHFFFAOYSA-N 349.434 4.740 0 40 EJAB Cc1ccc(C2=NN3[C@H](c4ccco4)Oc4ccccc4[C@H]3C2)cc1 239296798 DJGIUXRWXUKZFI-NQIIRXRSSA-N 330.387 4.830 0 40 EJAB O=C(/C=C/c1ccccc1)Nc1ccc(Br)c(Cl)c1 493656 AXTOPUKNVYSSRB-RMKNXTFCSA-N 336.616 4.754 0 40 EJAB O=C(COc1ccc(F)cc1Cl)Nc1ccc(C(F)(F)F)cc1 3343910 AYQVPNDYQUXILN-UHFFFAOYSA-N 347.695 4.515 0 40 EJAB CC[C@H](C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)C(=O)c1ccccc1 3846430 DMADGBHCTZPDTK-QXCFHYIPSA-N 330.468 4.900 0 40 EJAB biogenic O[C@](c1ccccc1)(c1ccccn1)c1ccc2c3c(cccc13)CC2 4728679 KTNCZDQYFFALDU-DEOSSOPVSA-N 337.422 4.618 0 40 EJAB Fc1ccccc1CSc1nnc(-c2ccccc2F)n1C1CC1 5333378 QWYFUYBMYSRRJW-UHFFFAOYSA-N 343.402 4.851 0 40 EJAB O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(F)cc1 6172420 JXKPBAJZMVDFJP-UHFFFAOYSA-N 348.786 4.504 0 40 EJAB Cc1ccccc1N1C[C@H](c2nc3ccccc3n2CC(C)C)CC1=O 7425210 CUOQVMLOOKWRDM-QGZVFWFLSA-N 347.462 4.521 0 40 EJAB CSc1cccc(NC(=O)COc2ccccc2C(C)(C)C)c1 8041470 WMQGOACGQYWRAL-UHFFFAOYSA-N 329.465 4.724 0 40 EJAB COc1ccc(CSc2ncc(-c3ccc(F)cc3)[nH]2)cc1F 12560009 ZDNSBNMXQHEHTM-UHFFFAOYSA-N 332.375 4.656 0 40 EJAB CCc1cc(-c2n[nH]c(C)c2-c2ccccc2Cl)c(O)cc1OC 13126511 LIMUREPZIPKNLD-UHFFFAOYSA-N 342.826 4.982 0 40 EJAB CC(C)Oc1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1 14399436 AQBNQRDCHXFADW-CYBMUJFWSA-N 333.815 4.533 0 40 EJAB CCN(c1ccc(NC(=O)c2ccccc2OC(F)F)cc1)C(C)C 15991986 CJEOPHWRSFRBLW-UHFFFAOYSA-N 348.393 4.775 0 40 EJAB CCCCN(C(=O)Nc1ccccc1Cl)c1ccc(C(=O)O)cc1 16638767 RVTQNTJWJCHQOO-UHFFFAOYSA-N 346.814 4.877 0 40 EJAB C[C@H](c1ccccc1)N(C)C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 26290837 JYKLNFIVQTVFHG-YUELXQCFSA-N 328.378 4.510 0 40 EJAB Cc1nc(/C=C/C(=O)Nc2ccc(Nc3ccccc3)cc2)cs1 32754786 ZEXIVSTXWBGSDW-VAWYXSNFSA-N 335.432 4.847 0 40 EJAB COc1ccc(CCSCC(=O)Nc2c(C)cc(C)cc2C)cc1 40018154 PHFFCWSHCCIYRA-UHFFFAOYSA-N 343.492 4.535 0 40 EJAB C[C@@H](NC(=O)CCCc1cccs1)c1ccc(C(F)(F)F)cc1 40071853 OXBUBCLAGIFPQH-GFCCVEGCSA-N 341.398 4.967 0 40 EJAB COc1cc(Cl)c(C)cc1N[C@@H](C)c1nnc(-c2ccccc2)o1 48264253 YVIUGGUIGHZUGO-LBPRGKRZSA-N 343.814 4.880 0 40 EJAB COc1cccc(NC(=O)/C=C/c2cc3cc(Cl)ccc3o2)c1 67340016 GJVPLCSQAIGKOU-SOFGYWHQSA-N 327.767 4.747 0 40 EJAB Cc1cc([C@H]2CCCN2Cc2ccccc2)cnc1N1CCCCC1 72219150 MVXADOZFQYOTDC-OAQYLSRUSA-N 335.495 4.717 0 40 EJAB CC[C@@H]1CCCN(C(C)(C)CNC(=O)Nc2c(C)cc(C)cc2C)C1 95395338 DHJYVFRNCIKJCL-GOSISDBHSA-N 345.531 4.634 0 40 EJAB CCCCc1ccc(NC(=O)COc2ccc3c(c2)CCCC3)cc1 96586340 GIWCCGNHZILCBI-UHFFFAOYSA-N 337.463 4.926 0 40 EJAB COc1ccc([C@@H]2CCCCN(C(=O)Nc3cccs3)C2)cc1 206886718 SJUYVJRVXPKNJW-OAHLLOKOSA-N 330.453 4.558 0 40 EJAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CCCc3ccccc32)c1 223837234 WLUZKTGNLKXXNG-QGZVFWFLSA-N 337.463 4.865 0 40 EJAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc3c4c(cccc24)CC3)c(C)c1 224608561 RGRMPRVDUIYCJY-INIZCTEOSA-N 345.442 4.961 0 40 EJAB O=C(c1ccc(OCc2ccccc2)cc1)C(F)(F)C(F)(F)F 390742449 MYKSPSLHOQQNOA-UHFFFAOYSA-N 330.252 4.646 0 40 EJAB O=C(Nc1ccc(Cl)cc1)/C(Br)=C/c1ccccc1 113555 FOERQNDZSTVVPZ-UVTDQMKNSA-N 336.616 4.715 0 40 EJAB CCOc1cccc2cc(-c3cc(=O)oc4cc(OC)ccc34)oc12 489017 DTYXUBSCTOWDFM-UHFFFAOYSA-N 336.343 4.614 0 40 EJAB biogenic Cc1cc(=O)oc2c3c(ccc12)OCN(c1ccc(C(C)C)cc1)C3 489702 ITRVYCIILFWIJG-UHFFFAOYSA-N 335.403 4.581 0 40 EJAB biogenic c1cncc(-c2nc(Oc3ccc4c(c3)CCC4)c3ccccc3n2)c1 3427432 SBXGTRVMRUSTIC-UHFFFAOYSA-N 339.398 4.973 0 40 EJAB COc1cccc(OC)c1C(=O)Nc1ccccc1Oc1ccccc1 5746102 QJWIHQYFQLTONM-UHFFFAOYSA-N 349.386 4.748 0 40 EJAB CCCc1cc(-c2nc(-c3ccc(OC)c(OC)c3)cs2)ccn1 6757825 WMKIXEGNBRAXMK-UHFFFAOYSA-N 340.448 4.842 0 40 EJAB COc1ccc(SCC(=O)Nc2c(Cl)cccc2Cl)cc1 7294718 VCXCKMPJBNCONH-UHFFFAOYSA-N 342.247 4.733 0 40 EJAB Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2C[C@@H](C)C[C@@H](C)C2)cc1 7654080 FTLSGFLBFISHGF-LVCYWYKZSA-N 336.479 4.653 0 40 EJAB Cc1ccc(CNC(=O)c2cccc(OCc3ccccc3)c2)cc1 7668505 DZAWRLCOGHQOTQ-UHFFFAOYSA-N 331.415 4.504 0 40 EJAB C=CCc1cc(/C=C2/Sc3ccccc3C2=O)cc(OC)c1OC 8109938 XGNADVGDWUBPBL-LDADJPATSA-N 338.428 4.762 0 40 EJAB Cc1sc2ncnc(Nc3cc(Cl)c(N)c(Cl)c3)c2c1C 8198164 KPIZFOAOWZWEIA-UHFFFAOYSA-N 339.251 4.941 0 40 EJAB O=C(Nc1ccccc1OC(F)(F)F)c1ccccc1C(F)(F)F 10030318 XYKXEVFZJDYBJO-UHFFFAOYSA-N 349.230 4.856 0 40 EJAB Cc1ccc(C)c(CC(=O)NCCSCc2cccc(Cl)c2)c1 20047343 KMFAGSZQGPUESY-UHFFFAOYSA-N 347.911 4.549 0 40 EJAB Cc1cccc(NC(=O)c2ccccc2NC(=O)[C@H]2CC=CCC2)c1 21353982 RMZBFXZLIRSXAL-INIZCTEOSA-N 334.419 4.542 0 40 EJAB Cc1ccc(S[C@@H](C)C(=O)N[C@@H]2CCCc3ccccc32)cc1 21838640 CFWAPUZUMAAZAY-HNAYVOBHSA-N 325.477 4.669 0 40 EJAB COc1ccc(CN(C(=O)c2ccc3[nH]c(C)c(C)c3c2)C2CC2)cc1 24972338 GVQONJNVOXERBJ-UHFFFAOYSA-N 348.446 4.598 0 40 EJAB C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1csc(-c2ccsc2)n1 26875181 ZVEMFYUFDBBRKW-NSHDSACASA-N 346.452 4.844 0 40 EJAB Cc1ccc(OCCSc2nc(-c3ccc(Cl)cc3)n[nH]2)cc1 28807317 DOEXERZZSDMMRT-UHFFFAOYSA-N 345.855 4.605 0 40 EJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1cccc(C(C)=O)c1 30750898 ALISVHVYGRCLFB-HXUWFJFHSA-N 347.414 4.839 0 40 EJAB Cc1ccc(NC(=O)c2ccc(CN3CCCCCC3)cc2)c(C)c1 38833371 CNZMHWCYLVVJPG-UHFFFAOYSA-N 336.479 4.932 0 40 EJAB Clc1ccc(OCC[C@H]2CCCCN2)c(Cc2ccccc2)c1 42773742 QIIMPOHSZMOSOV-LJQANCHMSA-N 329.871 4.842 0 40 EJAB CCc1cccc(C)c1NC(=O)[C@@H](CC)Oc1ccc(C)c(C)c1 44903722 KIUWLTGHPINIOK-LJQANCHMSA-N 325.452 4.970 0 40 EJAB O=C(/C=C/c1cccc2cccnc12)N1CCC[C@@H]1c1ccc(F)cc1 55541201 LSGJKFAOSYEAIS-XEDBTPMOSA-N 346.405 4.751 0 40 EJAB CC(C)CC(=O)Nc1cccc(CNCc2csc(C(C)C)n2)c1 64411647 MQMGXZSOTPGQNT-UHFFFAOYSA-N 345.512 4.541 0 40 EJAB C[C@@H](OC(=O)Cc1noc2ccccc12)c1ccc2ccccc2c1 71818664 OBMRFPNXTKRASV-CQSZACIVSA-N 331.371 4.828 0 40 EJAB CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1C 72215256 AYUZVIXLECWNNY-DOTOQJQBSA-N 347.503 4.778 0 40 EJAB CC(C)(C)Sc1ccc([C@H]2CCCN2C(=O)c2ccccc2)cn1 72217369 CKDNNAIGGDPQBG-QGZVFWFLSA-N 340.492 4.950 0 40 EJAB CCc1ccc([C@H](C)NC(=O)[C@@H](CC)Oc2ccccc2C)cc1 78458338 BRBICAYWICCJOF-QFBILLFUSA-N 325.452 4.592 0 40 EJAB COC(=O)[C@H](C)n1c(Cc2cccc3ccccc23)nc2ccccc21 82087018 HUHIFCHXTGZHLI-HNNXBMFYSA-N 344.414 4.514 0 40 EJAB O=C(Nc1cccc(N2CCCC2)c1)c1cc2c(F)cccc2s1 84372826 JPDIOHQZZAKWHD-UHFFFAOYSA-N 340.423 4.893 0 40 EJAB CSc1ccccc1C(=O)N(Cc1ccoc1)Cc1cccs1 90612131 QBYMFVMMKDEKCQ-UHFFFAOYSA-N 343.473 4.906 0 40 EJAB Fc1ccc([C@@H]2CCC[C@H]2NCc2ncc(-c3cccs3)o2)cc1 95941412 WDOMUAALMGFFED-JKSUJKDBSA-N 342.439 4.968 0 40 EJAB CCCCc1ccc(NC(=O)c2cnc(-c3ccc(F)cc3)nc2)cc1 222617370 SWEXSCLGFBHHJD-UHFFFAOYSA-N 349.409 4.878 0 40 EJAB CC1CCN(C(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)CC1 224894854 ALSWSKYVTHLUPF-UHFFFAOYSA-N 346.430 4.881 0 40 EJAB CCOC1(C(=O)Nc2ccc(OC3CCCC3)cc2)CCCCC1 225708662 VTAWHWKGXYLDSU-UHFFFAOYSA-N 331.456 4.686 0 40 EJAB C[C@H](O)c1ccc(NC(=O)c2cccc(OCc3ccccc3)c2)cc1 226273388 DPRJSJAODJIBRI-INIZCTEOSA-N 347.414 4.571 0 40 EJAB COCc1ccc([C@@H]2CCCN2[C@H](C)c2ncc(C(C)(C)C)o2)o1 248599801 BWYMMIASFOEPAU-HIFRSBDPSA-N 332.444 4.610 0 40 EJAB Cc1nc(-c2ccc(C(=O)Nc3cc(F)ccc3C)cc2)cs1 408618280 FPRWRTYNZJVRKT-UHFFFAOYSA-N 326.396 4.818 0 40 EJAB Cc1cc(OC(=O)COc2cccc(Cl)c2)cc(C)c1Cl 118119 FIPNNWXWXXRKAX-UHFFFAOYSA-N 325.191 4.595 0 40 EJAB Cc1ccc(-c2cc3nc4c(c(C(F)(F)F)n3n2)CCCC4)cc1 204978 VLJKQRTVKZCECB-UHFFFAOYSA-N 331.341 4.602 0 40 EJAB Cc1cccc(-n2c(CCC(=O)O)ccc2-c2cccs2)c1C 576536 INMZZUHBTAPYDA-UHFFFAOYSA-N 325.433 4.840 0 40 EJAB O=C(Cc1cccc2ccccc12)NCc1cccc2ccccc12 1049826 XNCAJICTTJZNHY-UHFFFAOYSA-N 325.411 4.852 0 40 EJAB CCNc1nc(SCc2ccc(Cl)cc2)cc(C(F)(F)F)n1 1396711 VZMMKISRLKXWHH-UHFFFAOYSA-N 347.793 4.873 0 40 EJAB CCOP(=O)(Nc1ccc2c(c1)Cc1cc(F)ccc1-2)OCC 1638384 PORDDLVRQCTBHP-UHFFFAOYSA-N 335.315 4.990 0 40 EJAB CN(C)CCCNCC[C@@H](Cc1ccccc1)c1ccc(Cl)cc1 2437748 UKISRHLRDIOUML-FQEVSTJZSA-N 344.930 4.598 0 40 EJAB CC1CCN(C(=O)[C@H](Sc2ccccc2)c2ccccc2)CC1 2734344 ALWIQVNDADMOPG-LJQANCHMSA-N 325.477 4.779 0 40 EJAB COc1ccc2nc(Nc3nc(-c4ccncc4)cs3)sc2c1 4061291 HNIYHGXKRCSFEA-UHFFFAOYSA-N 340.433 4.567 0 40 EJAB Cc1ccc(C2=NNC(c3ccc(F)cc3)=Nc3ccc(C)cc32)cc1 4129966 LUPICKWIXPPELJ-UHFFFAOYSA-N 343.405 4.876 0 40 EJAB O=c1c2ccccc2c(-c2ccccc2)nn1Cc1cccc(Cl)c1 4718063 ODOFVWQXXNYWHK-UHFFFAOYSA-N 346.817 4.765 0 40 EJAB Cc1ccc(C)c(NC(=S)NCc2ccc3c(c2)cc(C)n3C)c1 4925042 CONQKWCDMHGGDK-UHFFFAOYSA-N 337.492 4.590 0 40 EJAB OC(c1ccccc1)(c1ccccc1)c1ccc(Br)cc1 5081020 DBPPVXHRLZFMMM-UHFFFAOYSA-N 339.232 4.733 0 40 EJAB Cc1ccc(NC(=S)NCc2ccc(Cl)cc2Cl)cc1 7529884 RWPUPOIFDPJHNM-UHFFFAOYSA-N 325.264 4.788 0 40 EJAB COc1ccc(S[C@H](C)C(=O)Nc2cc(Cl)ccc2C)cc1 7935387 VIZQFURPHFVTLX-GFCCVEGCSA-N 335.856 4.776 0 40 EJAB Cc1c(Cl)cccc1NC(=O)CCc1nc2ccccc2s1 8289474 WKWCDJXLHCEHIQ-UHFFFAOYSA-N 330.840 4.829 0 40 EJAB CCSc1nc(-c2ccccc2)c(NC(=O)c2ccco2)s1 12442810 PFGZFUIOSWHMBB-UHFFFAOYSA-N 330.434 4.767 0 40 EJAB O=C(NCCCCOc1ccccc1)c1ccc(Cl)c(Cl)c1 12803464 ULDZUYHZHDVLEY-UHFFFAOYSA-N 338.234 4.582 0 40 EJAB Cc1nc2cc(NC(=O)/C=C/c3cc(C)n(C4CC4)c3C)ccc2o1 12882559 LRDLDWSNSSRADU-RUDMXATFSA-N 335.407 4.541 0 40 EJAB CC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@]12O[C@H]1[C@H](O)C(C)=CC2=O 13432896 DKOXVDVXOYHFHV-IVVRDPQBSA-N 344.495 4.823 0 40 EJAB biogenic CC(C)CCNC(=O)c1ccc(OCc2ccccc2Cl)cc1 13687744 NMJQDJJBTNPMIL-UHFFFAOYSA-N 331.843 4.695 0 40 EJAB Cc1ccc(C(=O)NCc2ccc(-c3nc4ccccc4o3)cc2)cc1 14257927 SSCJVZRJKHYMSF-UHFFFAOYSA-N 342.398 4.733 0 40 EJAB Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(Cl)cc3F)cc2)n1 15077631 PDTQEMCCWZFKQR-UHFFFAOYSA-N 343.789 4.534 0 40 EJAB Cc1nc(NCc2cccnc2)c2c(-c3ccccc3)csc2n1 15206207 LWNMUMVPPIWLEV-UHFFFAOYSA-N 332.432 4.674 0 40 EJAB CCOc1ccc(CCC(=O)Nc2c(C)cccc2C)cc1OCC 20453060 MKEJJFHMZCGRCU-UHFFFAOYSA-N 341.451 4.672 0 40 EJAB C[C@]1(C(=O)Nc2cccc(OC3CCCC3)c2)CC1(Cl)Cl 29070603 ZCLJMMFEXIDGHR-OAHLLOKOSA-N 328.239 4.530 0 40 EJAB COCc1cccc(NC(=O)c2cc3ccc(C(C)(C)C)cc3[nH]2)c1 29146682 MOWFGLHPMDWSLK-UHFFFAOYSA-N 336.435 4.864 0 40 EJAB CC(C)N1C(=O)N(c2ccccc2Cl)CS/C1=N\C(C)(C)C 39321331 KFDRMWUDUZKPST-JXAWBTAJSA-N 339.892 4.836 0 40 EJAB CC(C)(c1ccccc1)c1ccc(O[C@@H]2CCCNC2)c(Cl)c1 42775449 LULBUCASOKOKEL-QGZVFWFLSA-N 329.871 4.797 0 40 EJAB COc1ccc(C)cc1NC(=O)CCc1ccc(Cl)cc1Cl 46569698 CALPDRKQOWHIBF-UHFFFAOYSA-N 338.234 4.882 0 40 EJAB CC[C@@H](C)Sc1ccc(NC(=O)NCc2cc(C)on2)c(C)c1 69527724 ZYJMEIUWKZINGO-CYBMUJFWSA-N 333.457 4.504 0 40 EJAB COc1ccccc1-c1cccc([C@H]2CCCN(C3CCCC3)C2)n1 72348534 WFZZZZIAHUZHLP-KRWDZBQOSA-N 336.479 4.879 0 40 EJAB O=C(N[C@@H](c1nccs1)C1CC1)N1CCCCC[C@H]1c1ccco1 74708536 QKUSZDOTIAEREZ-GOEBONIOSA-N 345.468 4.514 0 40 EJAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H](C)c1ccc(C)cc1 113970664 SMNGODIKVDTTKE-BEFAXECRSA-N 345.870 4.992 0 40 EJAB COc1ccc(C(=O)CCc2cccc(Cl)c2Cl)cc1F 199762545 GYNWWMKNXFEGDU-UHFFFAOYSA-N 327.182 4.957 0 40 EJAB Cc1ccc(CC(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)c(C)c1 224230486 YPHVTXGWVMPVCF-IBGZPJMESA-N 337.463 4.573 0 40 EJAB C[C@@H](Oc1cccc2ccccc12)C(=O)NC(C)(C)Cc1ccccc1 224705585 GPEDQISVKLDHKF-QGZVFWFLSA-N 347.458 4.745 0 40 EJAB CCOP(=O)(OCC)[C@@]1(O)[C@H]2CCC[C@H]1[C@H](C)C1=C2CCCC1 253487217 GVPXFXTZGMNTTH-XFKAJCMBSA-N 342.416 4.878 0 40 EJAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(F)c(F)c1 79202 GVBXRAKCHUOZPT-UHFFFAOYSA-N 348.736 4.834 0 40 EJAB Cc1ccc(C(=O)N2c3ccc(Br)cc3CC[C@@H]2C)cc1 391450 FETHPSHUCKCXFM-ZDUSSCGKSA-N 344.252 4.739 0 40 EJAB Cc1ccc(-c2csc(NC(=O)c3cccnc3Cl)n2)c(C)c1 483983 BITOSLVEEZLKRB-UHFFFAOYSA-N 343.839 4.728 0 40 EJAB CC(C)C(=O)Nc1c(C(=O)c2ccc(Cl)cc2)oc2ccccc12 3655321 SGPNRRVEJVHEPL-UHFFFAOYSA-N 341.794 4.912 0 40 EJAB Cc1nn(-c2c(Cl)cc(Cl)cc2Cl)c(=O)c2ccccc12 5534253 AJBIILVCGGKXBR-UHFFFAOYSA-N 339.609 4.654 0 40 EJAB Cc1ccccc1C(=O)Nc1ccc(C(=O)OC2CCCCC2)cc1 5549095 BPLYDYOCIFKGAX-UHFFFAOYSA-N 337.419 4.737 0 40 EJAB S=C(Nc1ccc2cn[nH]c2c1)Nc1ccc(Cl)cc1Cl 5657830 DRORPJHUSREEOR-UHFFFAOYSA-N 337.235 4.679 0 40 EJAB Cc1ccc2[nH]c3nc(SCc4ccc(Cl)cc4)nnc3c2c1 6556944 QXPQGZCLGZBZET-UHFFFAOYSA-N 340.839 4.760 0 40 EJAB COc1cc(-c2csc(-c3ccc(C)cc3)n2)cc(OC)c1OC 6638541 ZTVXWJOLSWWGDW-UHFFFAOYSA-N 341.432 4.811 0 40 EJAB Cc1ccc(/N=c2\scc(-c3cccs3)n2CCCO)c(C)c1 7573458 CURDOGHJEUBMBG-HNENSFHCSA-N 344.505 4.510 0 40 EJAB Cc1occc1-c1nnc(SCc2cc(-c3cccs3)on2)o1 7644265 RFQLQLQEAOFGBF-UHFFFAOYSA-N 345.405 4.647 0 40 EJAB O=C(CSc1ccccc1Cl)N1CCSc2ccccc21 11481349 VUAPWCDVCVLTCS-UHFFFAOYSA-N 335.881 4.571 0 40 EJAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1c2ccccc2C[C@H]1C 13646846 DNHJSLMRLCIQGI-CVEARBPZSA-N 337.463 4.729 0 40 EJAB CCCCCCNc1cc(C)nc2c(-c3ccc(F)cc3)cnn12 21799081 PDUYBHKBQPSDSZ-UHFFFAOYSA-N 326.419 4.836 0 40 EJAB Fc1ccc(-c2ccc(CNCCc3c[nH]c4ccccc34)o2)cc1 22076497 GVLHUAUAALQGHY-UHFFFAOYSA-N 334.394 4.899 0 40 EJAB Cc1cc(CN(C)C(=O)c2cc3sc4ccccc4c3s2)no1 25137020 XGHCXVNPGKRKIG-UHFFFAOYSA-N 342.445 4.685 0 40 EJAB Cc1ccc(S[C@H](C)C(=O)N(C)Cc2ccc(Cl)cc2)cc1 30871751 RGVWGRJDSLVYSL-CQSZACIVSA-N 333.884 4.788 0 40 EJAB CCOP(=O)(OCC)[C@H](/C=C(/Cl)c1ccc(C)cc1)N(C)C 32237489 VPZNSTDXHLKBCO-ASNKMWSDSA-N 345.807 4.729 0 40 EJAB CCOc1ccc(Nc2ncccc2C(=O)N(C)c2ccccc2)cc1 32902563 HYAAYCUWFAEGLU-UHFFFAOYSA-N 347.418 4.501 0 40 EJAB Nc1nc2c(s1)[C@@H](c1cccc(Oc3ccccc3)c1)CC(O)=N2 36359630 RRUSIWPBCWCSSE-CQSZACIVSA-N 337.404 4.641 0 40 EJAB CCc1ccccc1O[C@H](C)C(=O)N[C@H](C)c1ccc(C)cc1C 38772900 IKHOHUSKDYNCIG-IAGOWNOFSA-N 325.452 4.511 0 40 EJAB CCCCCCOc1ccc(C(=O)CCCCC(=O)OCC)cc1 43214345 KIOKHXNDOWXDPW-UHFFFAOYSA-N 334.456 4.952 0 40 EJAB Cc1cccc(-c2csc3c(=O)n(Cc4ccccc4C)cnc23)c1 44166750 KMKUOASIGWLRIX-UHFFFAOYSA-N 346.455 4.790 0 40 EJAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCCc1ccc(C)cc1 44949238 AGTQYFREJSGZJG-HXUWFJFHSA-N 339.479 4.518 0 40 EJAB CCc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccc(C)cc2C)cc1 78458702 JCKVCXGOHDOFRS-IRXDYDNUSA-N 325.452 4.511 0 40 EJAB CC(C)c1sc(Cl)nc1C(=O)Nc1ccc(F)c(F)c1F 95478880 CTFZNFXHQVDTFP-UHFFFAOYSA-N 334.750 4.590 0 40 EJAB O=C(O)c1cccc2c1N[C@H](c1ccc(F)cc1)[C@H]1[C@@H]3CC[C@@H](C3)[C@@H]21 222088252 XRZXZBRJZSEQSF-LOJOQKOYSA-N 337.394 4.820 0 40 EJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCC1=CCCCC1 222663615 CNDUKFGQOGFRDL-NRFANRHFSA-N 341.495 4.730 0 40 EJAB C[C@@H](NC(=O)CCSc1ccccc1)c1ccc2c(c1)CCC2 223154197 SWKMDAXEBGPQTL-OAHLLOKOSA-N 325.477 4.535 0 40 EJAB COc1ccccc1NC(=O)N[C@H](c1ccccc1)c1ccccc1C 225767796 XZKRRFGWFDUSHU-OAQYLSRUSA-N 346.430 4.915 0 40 EJAB O=C(O)Cc1sc(-c2ccccc2)nc1-c1ccc(Cl)cc1 1444 JIEKMACRVQTPRC-UHFFFAOYSA-N 329.808 4.758 0 40 EJAB world O[C@H](c1ccc(Cl)cc1)[C@@H](c1ccccc1)N1CCCCCC1 500990 JFAWEJBCVBGKNT-WOJBJXKFSA-N 329.871 4.991 0 40 EJAB O=C(O)COc1ccccc1[C@H]1O[C@H]2CCCC[C@@H]2C2=CCCC[C@H]21 526401 IUZPOFVYQIAPHI-IIZJSDIPSA-N 342.435 4.507 0 40 EJAB COc1ccc(-c2nc3ccccc3n2OCc2ccc(C)cc2)cc1 1396575 QPRFWHKWMXCUAX-UHFFFAOYSA-N 344.414 4.649 0 40 EJAB CN(C)c1ccc2c(c1)c1cc(N(C)C)ccc1n2Cc1ccccc1 1610807 FHYIWJRAAKGCSJ-UHFFFAOYSA-N 343.474 4.975 0 40 EJAB CCOC(=O)CCCCCCC(=O)c1cccc(Br)c1 2378823 JHWUMLQOYSFOTC-UHFFFAOYSA-N 341.245 4.536 0 40 EJAB Cc1ccc(NC(=O)[C@@H](NC2CCCC2)c2ccccc2)cc1Cl 3328062 JYBWWPZSBZAWOW-IBGZPJMESA-N 342.870 4.860 0 40 EJAB COC1(OC)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]2CC[C@@]2(C)CCC[C@@]32O)C1 3844003 LARNLKQGNRQTPJ-VZNOBFAESA-N 336.516 4.523 0 40 EJAB Cc1cc(C)cc(N2C[C@H](c3nc4ccccc4n3C(C)C)CC2=O)c1 4033523 OTHFGGDXZPZNGF-QGZVFWFLSA-N 347.462 4.755 0 40 EJAB O=C(CC12CC3CC(CC(C3)C1)C2)Nc1nc2c(s1)CCCC2 4698428 UMFWNYDQUJOKDF-UHFFFAOYSA-N 330.497 4.567 0 40 EJAB O[C@H](c1ccccc1)[C@@H](c1ccccc1)c1cc(-c2ccccc2)n[nH]1 4771870 WJLBJHCLFOKJBC-XZOQPEGZSA-N 340.426 4.942 0 40 EJAB COCCn1cc(NC(=O)Nc2cccc(C)c2C)c2ccccc21 5266525 RWAGRMYTFDGEPX-UHFFFAOYSA-N 337.423 4.549 0 40 EJAB Cc1cc(NC(=O)c2ccc3ccccc3c2)ccc1N1CCCC1=O 5440064 BGXLYGLFBMMXON-UHFFFAOYSA-N 344.414 4.527 0 40 EJAB CC[C@@H]1CCCCN1c1nc(-c2ccccc2O)nc2ccccc12 5562110 IEGDVRGHVDVMGS-OAHLLOKOSA-N 333.435 4.771 0 40 EJAB O=C(Nc1nc(-c2cc3ccccc3o2)cs1)c1cccc(F)c1 7599166 AOPXJTGSIITZTQ-UHFFFAOYSA-N 338.363 4.948 0 40 EJAB COc1ccc(OC)c(-c2csc(Nc3ccc(F)cc3)n2)c1 8042171 HYUVPTISVDXJAC-UHFFFAOYSA-N 330.384 4.710 0 40 EJAB CSc1ccccc1NC(=O)CSCc1ccccc1Cl 8169652 LDAWZQYDWBABHG-UHFFFAOYSA-N 337.897 4.934 0 40 EJAB CC(C)(C)C(=O)N1CCCCC[C@@H]1c1cc(-c2cccs2)on1 12185395 LQNPAGAQAAJGKW-CQSZACIVSA-N 332.469 4.893 0 40 EJAB Cc1cc(C)c(NC(=O)c2sc(-c3ccccn3)nc2C)c(C)c1 12895867 ZINYKOQXURXJQD-UHFFFAOYSA-N 337.448 4.691 0 40 EJAB Cc1cc(F)ccc1NC(=S)Nc1ccc(Br)cc1 13937297 UIFHVCIHBJSRAM-UHFFFAOYSA-N 339.233 4.706 0 40 EJAB CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@@H](C)c1cc(C)ccc1C 20452631 LDSVUGXKCNMUGV-ICSRJNTNSA-N 339.479 4.955 0 40 EJAB CC[C@@H](C)Oc1cccc(C(=O)Nc2cccc3nc(C)ccc23)c1 21595817 YLJZCASGJNZACE-OAHLLOKOSA-N 334.419 4.973 0 40 EJAB Cc1cc(C)c(C(=O)CSc2nccn2-c2ccccc2)c(C)c1 57486253 PHEDXKNHLKKORG-UHFFFAOYSA-N 336.460 4.773 0 40 EJAB 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CCOc1c(CN[C@@H](C)C23CC4CC(CC(C4)C2)C3)cccc1OC 8253477 NUFJNZPXENABQX-BZSISCHUSA-N 343.511 4.788 0 40 EJAB CC(C)C(=O)Nc1ccccc1-c1nc(-c2ccc(Cl)cc2)no1 8559177 LNWAKYYNHUDCES-UHFFFAOYSA-N 341.798 4.652 0 40 EJAB O=C(CSc1ccc(F)cc1)Nc1ccc(-c2nccs2)cc1 9050758 RNBQJVBBYHQOTP-UHFFFAOYSA-N 344.436 4.680 0 40 EJAB Cc1csc(N2N=C(c3ccccc3)C[C@H]2c2cccs2)n1 9304350 HNDWXPSCCXFNQH-HNNXBMFYSA-N 325.462 4.869 0 40 EJAB O=C(O[C@@H](c1ccccc1)c1ccccn1)c1cc2ccccc2o1 12522414 MQOFWYBHCKSDFK-FQEVSTJZSA-N 329.355 4.774 0 40 EJAB COc1ccc(NC(=O)[C@H](C)N[C@@H](C)c2ccc3ccccc3c2)cc1 12754292 LSMFEVRVLVSGJC-HOTGVXAUSA-N 348.446 4.526 0 40 EJAB Cc1ccc([C@@H](NC(=O)CCOc2ccccc2)c2ccccc2)cc1 12801496 RRDJSELHSLXOIA-QHCPKHFHSA-N 345.442 4.670 0 40 EJAB COc1ccc(CN(C(=O)c2cc3ccccc3o2)[C@H](C)C2CC2)cc1 12875893 CAGIWEKXVMWXJY-OAHLLOKOSA-N 349.430 4.882 0 40 EJAB CCOc1cc(/C=C/c2cc(C(=O)O)c3cc(C)ccc3n2)ccc1O 13005807 ZVDOFMUCEFHIFL-FNORWQNLSA-N 349.386 4.516 0 40 EJAB CCCC(=O)Nc1cc(-c2nc3ccccc3s2)ccc1OC 14257867 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Cc1nc(-c2cccc(NC(=O)c3c(F)cccc3F)c2)cs1 37084811 XGOBAKDZZHIZKW-UHFFFAOYSA-N 330.359 4.649 0 40 EJAB O=C(O)C/C(=C/c1cc(F)ccc1F)c1nc2ccccc2s1 40139603 HXQBNXSJYBDDHC-XFFZJAGNSA-N 331.343 4.590 0 40 EJAB CC[C@@H](C)Nc1cc(C)nc2c(C)c(-c3cccc(Cl)c3)nn12 40216728 JBOGSNBMKBGUKC-LLVKDONJSA-N 328.847 4.877 0 40 EJAB CCC[C@@H](C)NC(=O)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 58167841 ONXAMPKUDNKDRI-CYBMUJFWSA-N 349.450 4.655 0 40 EJAB Cc1nc(C(C)C)sc1C(=O)Nc1cccc(COCC2CC2)c1 65082160 LYWNXOVAICWQHK-UHFFFAOYSA-N 344.480 4.754 0 40 EJAB Cc1cccc(NC(=O)Nc2cccc(C)c2NC(=O)C(C)C)c1 66089533 RMNORGQTYRMJLV-UHFFFAOYSA-N 325.412 4.542 0 40 EJAB C[C@@H](N[C@H](C)c1nnc(-c2ccccc2)o1)c1cccc(Cl)c1 69417418 ADFGUOZZJNYOHB-CHWSQXEVSA-N 327.815 4.802 0 40 EJAB Nc1nc(-c2cccc(Cl)c2)cc(-c2c(F)cccc2Cl)n1 71977619 HTZVCUVEIJCWJH-UHFFFAOYSA-N 334.181 4.839 0 40 EJAB CCN1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 72215493 MLEAOHRODXZGBG-QGZVFWFLSA-N 345.487 4.532 0 40 EJAB C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)[C@@H](c2ccco2)C1 72304654 FBAOEFHWAHGXKN-UMPJEAMMSA-N 345.389 4.661 0 40 EJAB Cc1noc(C)c1COc1ccc(CNc2ccc3c(c2)CCC3)cc1 89529487 JGVMJYDUZZPCSP-UHFFFAOYSA-N 348.446 4.971 0 40 EJAB O=C(c1ccccc1Cl)N(Cc1ccoc1)Cc1cccs1 90612092 SQDCUTOCPYDTKP-UHFFFAOYSA-N 331.824 4.837 0 40 EJAB O=C(Oc1c(Cl)cccc1Cl)c1csc([C@@H]2CCCO2)n1 95440704 HXHFUFCHEJTPAJ-NSHDSACASA-N 344.219 4.521 0 40 EJAB Cc1cc2c(cc1C)NC1=C(O)[C@@H](c3ccc(Cl)cc3)OC1=N2 104142897 FHAYKQVCQJJLCT-QGZVFWFLSA-N 326.783 4.953 0 40 EJAB COC(=O)/C=C/c1ccc(OC)c(OCc2cccc3ccccc23)c1 216897606 JCIDAUSSGPISLV-ACCUITESSA-N 348.398 4.614 0 40 EJAB Cc1cc(OCC(=O)NC(C)(C)CC(C)(C)C)cc(C)c1Cl 224258698 RCYLBFOQSLYXLZ-UHFFFAOYSA-N 325.880 4.667 0 40 EJAB CCO[C@]1(C(=O)Nc2ccc(OCC(C)C)c(C)c2)CCC[C@@H](C)C1 225717558 IVYSWUXVEJZVJC-IIBYNOLFSA-N 347.499 4.954 0 40 EJAB Cn1cnc2cc(C(=O)Nc3ccccc3Oc3ccccc3)ccc21 225892450 CWVQDMGYJVSIHP-UHFFFAOYSA-N 343.386 4.618 0 40 EJAB Cc1ccc(-c2ccc(C(=O)Nc3ccccc3N)o2)cc1Cl 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CCCNCc1ccc(-c2ccc(Cl)cc2Br)o1 20158485 JAGTZKBRUXXCQV-UHFFFAOYSA-N 328.637 4.862 0 40 EJAB COc1ccc2ccccc2c1CNC(=O)c1ccc(F)cc1Cl 31188019 LCZLGCWYZWPJHA-UHFFFAOYSA-N 343.785 4.571 0 40 EJAB COc1ccc(CSc2noc(-c3cccc(Cl)c3)n2)cc1 32611984 XBBZCLINHZKCIO-UHFFFAOYSA-N 332.812 4.691 0 40 EJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N1CCc2ccccc2C1 44841538 RKQQZORMSIFIOC-JOCHJYFZSA-N 345.442 4.582 0 40 EJAB CCCCc1nc2cc(NC(=O)c3ccc(F)cc3Cl)ccc2[nH]1 48333264 VKXIOJZEQFPQFK-UHFFFAOYSA-N 345.805 4.950 0 40 EJAB CCOc1ccc(-c2cc3c(SCC(C)C)nccn3n2)cc1 57510859 YKIMDRZTRMZRTM-UHFFFAOYSA-N 327.453 4.543 0 40 EJAB CC[C@H](Oc1ccc(C)cc1)C(=O)N[C@@H](CC)c1ccc(C)cc1 59351791 OXDRRZLGMHFVDE-PMACEKPBSA-N 325.452 4.728 0 40 EJAB CC1=Nc2c(c(O)nn2C(C)C)[C@H](c2ccc3ncccc3c2)S1 71285862 VNCOPXDNIAOVPB-INIZCTEOSA-N 338.436 4.604 0 40 EJAB Cc1ccc(F)c(NC(=S)Nc2ccccc2Br)c1 71325948 KCZBRGKSJLVXCZ-UHFFFAOYSA-N 339.233 4.706 0 40 EJAB CCn1ccc2ccc(NC(=O)[C@@H]3CCC[C@@H](C(F)(F)F)C3)cc21 72292968 IKGJNXAEGAJXCU-ZIAGYGMSSA-N 338.373 4.968 0 40 EJAB OC1=Nc2c(cnn2Cc2cccs2)[C@@H](C2CCCCC2)SC1 95475816 QAMWVCWTBUZMQR-MRXNPFEDSA-N 347.509 4.949 0 40 EJAB c1ccc(Cc2nc(CN[C@@H](c3ccccc3)C3CCCC3)no2)cc1 95957583 UETFPEINFUYVSB-QFIPXVFZSA-N 347.462 4.682 0 40 EJAB CN(C)C(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1)N2 100616179 PNIQDALMXTWOSU-OPXVNJCFSA-N 346.474 4.685 0 40 EJAB CC(=O)[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@]2(C)O)C1 118934788 XWDRJXANNWFPCX-PVFHHWQTSA-N 332.528 4.985 0 40 EJAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccccc1Cl)c1ccc(C)cc1C 219060801 ABERZECGNQQJIW-CRAIPNDOSA-N 345.870 4.992 0 40 EJAB CC[C@@H](NC(=O)CCc1ccc(F)cc1)c1ccc2c(c1)CCCC2 223135329 CSAKEROHXHRZIY-OAQYLSRUSA-N 339.454 4.905 0 40 EJAB O=C(CCSc1ccc(Cl)cc1)NCCSC1CCCC1 225102634 OGEFIHJERDOLJR-UHFFFAOYSA-N 343.945 4.614 0 40 EJAB O=C(NC[C@@H](O)c1cccc2ccccc12)c1cc2ccccc2s1 225617943 INRDQJGSZKFHAB-GOSISDBHSA-N 347.439 4.518 0 40 EJAB CC(C)c1ccc(C[C@@]2(C)Cc3cc(CCC(=O)O)ccc3O2)cc1 257339914 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Cc1ccc(Cl)c(NC(=S)NC(=O)C2CCCCC2)c1Cl 3244915 AYUMVPCELJJWJD-UHFFFAOYSA-N 345.295 4.695 0 40 EJAB O=C(CSc1ncnc2ccccc12)Nc1cccc2ccccc12 3263576 BZTUMMQCPYBTJL-UHFFFAOYSA-N 345.427 4.514 0 40 EJAB CCCCC1CCC([C@H](C)OC(=O)c2ccccc2C(=O)O)CC1 4659044 PVGZFRRNZJEOQV-FHERZECASA-N 332.440 4.927 0 40 EJAB Cc1ccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccccc2)cc1C 4854236 FQEMYMYEGHQOSC-NRFANRHFSA-N 345.446 4.742 0 40 EJAB COc1ccc(-c2nc(NC(=O)c3ccc(C)s3)sc2C)cc1 5578376 JDWYDENGLJCKON-UHFFFAOYSA-N 344.461 4.749 0 40 EJAB CCOc1ccc(-c2cc(C(=O)N(CC)CC)c3ccccc3n2)cc1 6046349 CSOXKKIRHVAUEE-UHFFFAOYSA-N 348.446 4.783 0 40 EJAB O=C(c1ccccc1F)N(Cc1cccc(Cl)c1)Cc1ccco1 6810654 AMNKFUATHHNAIE-UHFFFAOYSA-N 343.785 4.915 0 40 EJAB CCOC(=O)c1oc2ccccc2c1NC(=O)c1ccc(Cl)cc1 7347594 FCRYWOGSOUZJPJ-UHFFFAOYSA-N 343.766 4.515 0 40 EJAB O=C(CCC1CCCC1)N1CCC[C@H](c2nc3ccccc3s2)C1 8104943 LSBULDQBDSEEDH-INIZCTEOSA-N 342.508 4.973 0 40 EJAB Cc1ccc(-c2c(C(F)(F)F)nn3c(Cl)cc(C)nc23)cc1 9303231 XTOXTEJNKFDMPX-UHFFFAOYSA-N 325.721 4.685 0 40 EJAB O=C1C[C@@H](c2ccccc2)c2sc(C(=O)O)c(-c3ccccc3)c2N1 15082122 LMCATMMZRMMYFV-AWEZNQCLSA-N 349.411 4.587 0 40 EJAB O=C(Nc1cccc(-c2ccn[nH]2)c1)c1cc2cc(Cl)ccc2o1 24886749 NKDZVENERDQLSJ-UHFFFAOYSA-N 337.766 4.729 0 40 EJAB Cc1cn2nc(NCc3ccc(-c4ccc(Cl)cc4)o3)sc2n1 26695102 SNMONJPVVJUVAG-UHFFFAOYSA-N 344.827 4.625 0 40 EJAB COc1ccc(NC(=O)Nc2nc3c(C)c(C)ccc3s2)cc1 28221506 UQMZVEGKCMMWLL-UHFFFAOYSA-N 327.409 4.566 0 40 EJAB Clc1ccc(Oc2cnc3ccccc3n2)c(Br)c1 48412894 GVRJFPRRIKMBHN-UHFFFAOYSA-N 335.588 4.838 0 40 EJAB Cc1ccc2c(CN(Cc3cccs3)C(C)C)cc(=O)oc2c1 57570167 LCNYYGGMTKLYLM-UHFFFAOYSA-N 327.449 4.574 0 40 EJAB Cc1nc(Cc2ccccc2)sc1C(=O)N(C)C1CCCCCC1 78355161 RXYICQWKPBDINM-UHFFFAOYSA-N 342.508 4.837 0 40 EJAB CC[C@@H](C)n1ncc(C(=O)Nc2cccc3ncccc23)c1C1CC1 89723053 AOTCNRYUPDESFA-CYBMUJFWSA-N 334.423 4.532 0 40 EJAB CC[C@H](c1ccncc1)N(CC)C(=O)Nc1cccc([C@@H](C)OC)c1 96418044 JRWNWMOSDHVJGI-DNVCBOLYSA-N 341.455 4.794 0 40 EJAB CC(C)CCNC(=O)C12C[C@@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 102062206 JDPAQHCQSBDKIC-NFAVZRQZSA-N 325.496 4.687 0 40 EJAB CC(C)CCN[C@@H]1c2ccccc2C(=O)N1[C@@H]1CCC[C@H](C)[C@@H]1C 103204031 BZJSNQIIXJXKDL-FEHORTKBSA-N 328.500 4.601 0 40 EJAB COc1ccc(CCCNC(=O)CCc2cccc3ccccc23)cc1 222672204 RBEPURMOBVZKBK-UHFFFAOYSA-N 347.458 4.530 0 40 EJAB C[C@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccc(Cl)cc1 223095760 BDFZFQXQHNKCLZ-ZDUSSCGKSA-N 329.827 4.625 0 40 EJAB COc1cccc(NC(=S)N[C@H](c2ccc(C)cc2C)C(C)C)c1 225763611 RYQPBXWSKJBTRM-IBGZPJMESA-N 342.508 4.996 0 40 EJAB Cc1ccc(S[C@H](C)C(=O)Nc2ccc(OC(C)C)cc2)cc1 408563827 RHRXAWBFVGYKQX-OAHLLOKOSA-N 329.465 4.902 0 40 EJAB O=C(NCc1cc(-c2ccsc2)cs1)c1ccc(F)c(F)c1 1775969619 CPKOGCOWMJPVRN-UHFFFAOYSA-N 335.400 4.685 0 40 EJAB COc1ccc([C@H]2S[C@H](C)C(=O)N2c2ccc(Cl)cc2)cc1 70314 ZZUISRVPMLVLLR-PIGZYNQJSA-N 333.840 4.516 0 40 EJAB CCOc1ccccc1NC(=O)C1c2ccccc2Oc2ccccc21 182592 YHNDBIHUJOXHQE-UHFFFAOYSA-N 345.398 4.962 0 40 EJAB Cc1ccc2cc(C)c(SCC(=O)N3[C@@H](C)CCC[C@@H]3C)nc2c1 412057 HSRKZMYOTQFYRK-HOTGVXAUSA-N 342.508 4.733 0 40 EJAB COc1cccc([C@H]2Nc3ccccc3-c3nc4ccccc4n32)c1 536747 VWIMMIZDAJIOIF-FQEVSTJZSA-N 327.387 4.684 0 40 EJAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1cccc(F)c1 557412 VORSOJVIEKMDBB-AATRIKPKSA-N 340.181 4.793 0 40 EJAB CCN(C(=O)c1ccccc1F)c1nc(-c2ccc(C)cc2)cs1 932657 KCTHFQHOASUYMH-UHFFFAOYSA-N 340.423 4.924 0 40 EJAB Cc1csc(SCC(=O)N(c2ccccc2)c2ccccc2)n1 1018863 VSXPGWLRRXUKFB-UHFFFAOYSA-N 340.473 4.909 0 40 EJAB COc1cccc(C(=O)Nc2nc3c(s2)C[C@H](C(C)(C)C)CC3)c1 1098893 WRQSFQBHCFIWED-CYBMUJFWSA-N 344.480 4.555 0 40 EJAB O=C(c1ccc(CN2CCCC2)cc1)c1cc(Cl)cc(Cl)c1 2514587 OGNZGJDQRIXCEZ-UHFFFAOYSA-N 334.246 4.820 0 40 EJAB CCCCOc1ccc(C(=O)Nc2cccc(Cl)c2)cc1OC 8287439 JNSSPJWWODDDIA-UHFFFAOYSA-N 333.815 4.780 0 40 EJAB CC(C)(C)C(=O)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl 9063969 WCPMDJXSVCNXPB-UHFFFAOYSA-N 327.815 4.868 0 40 EJAB COc1ccc(Nc2ccccc2NC(=O)c2cc(C)oc2C)cc1 9945471 QHBPSBHHWMQWGZ-UHFFFAOYSA-N 336.391 4.901 0 40 EJAB CCOc1cccc(NC(=O)CSCc2cc(C)cc(C)c2)c1 10294099 UWTGRWDPUZJKLM-UHFFFAOYSA-N 329.465 4.574 0 40 EJAB COc1ccc(C)cc1NC(=O)[C@H](C)Nc1ccc(C(C)C)cc1 12543771 YCHAYCDGQZKWGY-HNNXBMFYSA-N 326.440 4.566 0 40 EJAB COc1ccccc1CNCc1cc2c(C)cc(C)cc2nc1Cl 13535435 MXGNYYLMLUGTAO-UHFFFAOYSA-N 340.854 4.803 0 40 EJAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)/C=C/c1ccsc1 14084758 NPOFPUIFZKMNMN-GUOLPTJISA-N 328.462 4.591 0 40 EJAB CCOc1ccc(/C=C/c2ccc3ccccc3[n+]2C)cc1OCC 16943452 VESDHVVWRODCHN-JLHYYAGUSA-N 334.439 4.632 0 40 EJAB COc1ccc(NC(=O)N(C2=NCCC2)c2ccc(C)c(C)c2)cc1 17052687 KQBFQLPXZONFRF-UHFFFAOYSA-N 337.423 4.543 0 40 EJAB CCN(c1ccccc1)c1ncnc2c1cnn2-c1cccc(Cl)c1 17288298 LDAMFPDLFUODMX-UHFFFAOYSA-N 349.825 4.627 0 40 EJAB CCn1c(NC(=O)c2cc(Cl)ccc2Cl)nc2ccccc21 18232861 RVLTXPJSSAOBCM-UHFFFAOYSA-N 334.206 4.615 0 40 EJAB CC(C)C[C@@H](NC(=O)c1ccc(OC(C)C)cc1)c1ccccc1 20045018 ZSWQMVLENQWDDN-HXUWFJFHSA-N 325.452 4.991 0 40 EJAB CC(C)c1ccc(-c2nnc(NC(=O)/C=C/c3ccccc3)o2)cc1 20495985 CVKLBNVVMFUIKH-MDWZMJQESA-N 333.391 4.512 0 40 EJAB COc1cccc([C@H]2CC(O)=Nc3c(-c4ccccc4)nsc32)c1 40266814 KSZMBDAXVJRCIC-OAHLLOKOSA-N 336.416 4.942 0 40 EJAB Cc1ccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(C)c(C)c2)c(C)c1 59351394 GCHCJIDKUSZWDW-ROUUACIJSA-N 325.452 4.565 0 40 EJAB CCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1C(C)C 72214818 LKNDHZIXVWMKDK-KRWDZBQOSA-N 347.503 4.778 0 40 EJAB COCc1cccc(N[C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)c1 79301680 PJKGYMRPEZQBJV-CYBMUJFWSA-N 341.386 4.504 0 40 EJAB C[C@H]1CCCC[C@H]1OCCN1CCC(c2nc3ccccc3o2)CC1 84691960 LNKVEKLVCUJCFQ-QFBILLFUSA-N 342.483 4.603 0 40 EJAB CO[C@@H](CNC(=O)c1ccc(-c2ccccc2)cc1)c1ccsc1 96103334 KVHKNYBRRMSFGH-IBGZPJMESA-N 337.444 4.533 0 40 EJAB O=C(Nc1ccc(F)c(Cl)c1)c1cccc(Oc2ccccn2)c1 96122646 YBVLZABKSBEFKQ-UHFFFAOYSA-N 342.757 4.919 0 40 EJAB CCSc1ccccc1C(=O)N[C@H](CC)c1ccc(OC)cc1 113958460 LMGWKTBBEWIZHI-QGZVFWFLSA-N 329.465 4.688 0 40 EJAB Cc1ccc(OC[C@@H](C)NC(=O)CCc2cccc3ccccc23)cc1 222677135 OWCRWRXLQAYYFS-GOSISDBHSA-N 347.458 4.665 0 40 EJAB COc1ccc(NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)cc1 223141564 KHIMVFCARWYXJG-OAHLLOKOSA-N 327.424 4.533 0 40 EJAB CCOc1ccc(C(=O)N[C@H](C)CC)cc1COc1cccc(C)c1 224380828 KYSHSJNUXKQXKZ-MRXNPFEDSA-N 341.451 4.501 0 40 EJAB CCCCOCc1cc(C(=O)Nc2cccc(C)c2)ccc1OCC 224725125 IPGNVMALAWPPPW-UHFFFAOYSA-N 341.451 4.963 0 40 EJAB Cc1cc([C@H](C)N[C@@H](C)c2nnc(-c3cccc(F)c3)s2)c(C)o1 225577278 YSKCVVDJLTYHON-RYUDHWBXSA-N 345.443 4.966 0 40 EJAB CCc1ccc(-n2c(C)nnc2SCCCc2ccccc2)cc1 409091989 WSYCJYYOXXHDPO-UHFFFAOYSA-N 337.492 4.863 0 40 EJAB Clc1ccc2c(c1)CC[C@@H]2NCc1c(C2CC2)nc2sccn12 527796459 XQYJSNQSIMFGIH-HNNXBMFYSA-N 343.883 4.704 0 40 EJAB O=C(Nc1ccc(Oc2ccccn2)cc1)[C@H]1C[C@H]1c1ccc(F)cc1 547394925 ZMNNPKYXKCZBQA-OALUTQOASA-N 348.377 4.755 0 40 EJAB CCc1ccc(NC(=O)/C(Br)=C/c2ccccc2)cc1 113598 LJUUNKBVSCHLLF-VBKFSLOCSA-N 330.225 4.624 0 40 EJAB Cc1cc(C)cc(OCc2nnc(SCc3ccccc3)o2)c1 418618 DXPJXXHODCFBQJ-UHFFFAOYSA-N 326.421 4.558 0 40 EJAB CC(=O)[C@](C)(Cc1ccccc1)C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 3846406 VIZLTLNHRLIAKW-ZEFBCVDJSA-N 344.495 4.828 0 40 EJAB biogenic O=C1c2ccccc2N[C@H](c2ccc(F)cc2)N1c1ccccc1F 4710433 ZLEZFIXIXRAMBK-IBGZPJMESA-N 336.341 4.736 0 40 EJAB CCCCOP(=O)(OCCCC)[C@@H](O)c1ccc(N(C)C)cc1 4815454 ZGGFRWDQZQLDKY-QGZVFWFLSA-N 343.404 4.570 0 40 EJAB Cc1ccc2c(ccc(/C=C\c3cc(C)c4cccnc4c3O)[n+]2C)c1 4823025 BKZBDFLHSRXTPU-UHFFFAOYSA-O 341.434 4.705 0 40 EJAB O=C(Nc1cccc(N2CCCCC2=O)c1)c1cccc2ccccc12 5441673 YETDHHKSGOFQNP-UHFFFAOYSA-N 344.414 4.609 0 40 EJAB O=C(Oc1ccc2cc(Br)ccc2c1)c1ccc(F)cc1 6284022 DRLJQYQJMVMTCO-UHFFFAOYSA-N 345.167 4.961 0 40 EJAB Cc1nc(C)c(C(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)s1 7995444 LPRPFAYMQZOAIN-UHFFFAOYSA-N 343.477 4.753 0 40 EJAB O=C(Nc1nccs1)c1csc2c1CC[C@H](c1ccccc1)C2 9111988 SLRYDKBTXZTQRU-ZDUSSCGKSA-N 340.473 4.729 0 40 EJAB O=C(CCSCc1nc2ccccc2s1)Nc1ccccc1F 12919433 SXSQKPAZSBLJEL-UHFFFAOYSA-N 346.452 4.697 0 40 EJAB CCCc1nc2ccc(NC(=O)c3ccc(OC)cc3)cc2s1 14291698 CTRCCQKQQQSYDY-UHFFFAOYSA-N 326.421 4.510 0 40 EJAB Cc1ccc(C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)c(C)c1 14349217 YRVTUTXRWRYWME-UHFFFAOYSA-N 330.431 4.714 0 40 EJAB Cc1ccc(OCCS[C@@H](C)C(=O)Nc2cc(C)ccc2C)cc1 15492216 MWESJMVCLJTBLI-KRWDZBQOSA-N 343.492 4.751 0 40 EJAB Cc1n(-c2ccccc2)cc(Nc2ccccc2)[n+]1-c1ccccc1 16363238 VRMGUBBEFUOBKK-UHFFFAOYSA-N 326.423 4.806 0 40 EJAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1C(F)(F)F 22528650 GXASBEDSTRMVCR-HNNXBMFYSA-N 341.304 4.641 0 40 EJAB Cc1ccc(C)c(OCCCN2C(=O)c3cccc4cccc2c34)c1 26396084 MAKORYWUIHFXNY-UHFFFAOYSA-N 331.415 4.886 0 40 EJAB CC(C)c1noc([C@@H](C)Sc2nccn2-c2cccc(Cl)c2)n1 27811062 RMGMALNSFDLNNU-LLVKDONJSA-N 348.859 4.885 0 40 EJAB CC(=O)NCc1ccc(-c2nc(-c3sccc3C)sc2C)s1 28334303 PWFSXZNWZCPUIO-UHFFFAOYSA-N 348.518 4.853 0 40 EJAB O=C(Nc1ccc(Cl)cc1Br)OCc1ccccc1 57353729 XPSDDRAKRCFSRR-UHFFFAOYSA-N 340.604 4.851 0 40 EJAB CC(C)c1nn(-c2ccccc2)c(Cl)c1CNCc1ccccc1 70005941 ZTCCHMVWZIPVFX-UHFFFAOYSA-N 339.870 4.939 0 40 EJAB O=C(O)c1ccc(Nc2ccnc3c(Cl)cc(Cl)cc23)cc1 78401480 WOQPPDOZIQUGES-UHFFFAOYSA-N 333.174 4.983 0 40 EJAB CCc1ccc([C@H](C)NC(=O)COc2cc(C)ccc2C(C)C)cc1 78457903 OGQZFBWKBHWXDP-KRWDZBQOSA-N 339.479 4.937 0 40 EJAB CCCCN(CC)C(=O)c1ccc2onc(-c3csc(C)n3)c2c1 96037862 LCGPRKRKFZMDHB-UHFFFAOYSA-N 343.452 4.522 0 40 EJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H]1CCCc2ccccc21 113956435 ZJTUPBMBKAVNAT-MOPGFXCFSA-N 343.854 4.691 0 40 EJAB CCn1ccnc1-c1cccc(NC(=O)c2ccc(Cl)s2)c1 157107188 GZRIWSXWCIDHOP-UHFFFAOYSA-N 331.828 4.537 0 40 EJAB O=C(c1cc2ccccc2o1)N1CCCC[C@@H](c2ccc(F)cc2)C1 211079515 BYVBMODJRQKDGB-QGZVFWFLSA-N 337.394 4.982 0 40 EJAB O=C(c1cc2ccccc2[nH]1)N1CCS[C@H](c2cccs2)CC1 219462665 VNXLUKRGQJNXLH-KRWDZBQOSA-N 342.489 4.550 0 40 EJAB c1ccc(-c2cnc(N3CC[C@H](n4ncc5ccccc54)C3)s2)cc1 511376747 HUPPKZFSZLRZID-KRWDZBQOSA-N 346.459 4.611 0 40 EJAB Cc1cccc(NC(=O)N2CC(n3c(C(C)C)nc4ccccc43)C2)c1 1888962466 ZEARLOUQSVIVEV-UHFFFAOYSA-N 348.450 4.557 0 40 EJAB CCSc1nc2c([nH]c3ccccc32)c(=O)n1-c1cc(C)cc(C)c1 214029 TXAQOBYTCHXFNG-UHFFFAOYSA-N 349.459 4.596 0 40 EJAB CCN(C(=O)C1CCCCC1)c1nnc(-c2ccc(Cl)cc2)s1 1356455 ZKJDHDOHAHVEST-UHFFFAOYSA-N 349.887 4.792 0 40 EJAB CCCCN(CCCC)C[C@H](O)c1ccc(C)c(Br)c1 1718269 KXKDEORXASPZRH-KRWDZBQOSA-N 342.321 4.693 0 40 EJAB CSc1cccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1 2630277 YUEUCGSLYQIZPP-UHFFFAOYSA-N 335.856 4.858 0 40 EJAB O=C(Nc1cccc2ccccc12)c1cc(Br)ccc1O 3154504 QNZRQWWNVFNWKJ-UHFFFAOYSA-N 342.192 4.560 0 40 EJAB O=C(CSc1nc2ccccc2s1)c1ccc(Cl)s1 3240791 RFJBLNJCDCSDPD-UHFFFAOYSA-N 325.867 4.986 0 40 EJAB Cc1ccc(-c2nn3c(-c4cccc(Cl)c4)nnc3s2)cc1C 4664962 PBGBXCQZNGXUBI-UHFFFAOYSA-N 340.839 4.790 0 40 EJAB O=C(CSc1ccc2ccccc2c1)Nc1ccc(F)c(F)c1F 4886813 JRFLQTVNNUPNMG-UHFFFAOYSA-N 347.361 4.988 0 40 EJAB COC(=O)c1ccc2nc(-c3ccc4nc(C)sc4c3)sc2c1 5748743 VGOANLHIVSVEHJ-UHFFFAOYSA-N 340.429 4.668 0 40 EJAB CC(C)(C)c1ccc(NC(=O)CC2(CC(=O)O)CCCCC2)cc1 6590104 NFLXHSAENLSXNQ-UHFFFAOYSA-N 331.456 4.738 0 40 EJAB Cc1ccc(Cl)cc1NC(=O)c1cc(Br)ccc1F 7406800 LSLHAAKELLCGIL-UHFFFAOYSA-N 342.595 4.802 0 40 EJAB Cc1ccc2c(CC(=O)N[C@@H]3CCSc4ccccc43)coc2c1 7779167 ZQERBLZJLVFVNP-QGZVFWFLSA-N 337.444 4.637 0 40 EJAB C[C@@H](CCc1ccccc1)NC(=O)CSC/C=C/c1ccccc1 8935682 RZGVATMIHVDTHE-RORWEDLISA-N 339.504 4.571 0 40 EJAB Cc1cccc(-c2nnc3sc(-c4cc5ccccc5o4)nn23)c1 12653881 NQSHUYODXOQCCE-UHFFFAOYSA-N 332.388 4.574 0 40 EJAB O=C(Nc1nc(-c2cccs2)cs1)c1ccc(Cl)cc1F 13012909 YYTPTGNCRQLHFD-UHFFFAOYSA-N 338.816 4.916 0 40 EJAB Cc1noc(C)c1C(=O)Nc1ccccc1-c1nc2ccccc2s1 14604032 SBDATXPPKFUXPU-UHFFFAOYSA-N 349.415 4.820 0 40 EJAB CC(C)c1ccc(NC(=O)CCCc2nc(-c3ccccc3)no2)cc1 16575890 QMNJDGMCVDIQQT-UHFFFAOYSA-N 349.434 4.821 0 40 EJAB CCOc1ccc(SCC(=O)Nc2c(CC)cccc2CC)cc1 19167410 XBBROTQVQLIUIP-UHFFFAOYSA-N 343.492 4.941 0 40 EJAB COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(F)cc2F)cc1 24392241 FEBBFQNZQDYLRE-IBGZPJMESA-N 345.389 4.731 0 40 EJAB Cc1cnc(NC(=O)c2ccc(CSc3ccccc3)o2)s1 28271004 NGRNQQXPEHYLMM-UHFFFAOYSA-N 330.434 4.589 0 40 EJAB CCC[C@@H](O)c1nc2ccccc2n1CCOc1ccc(C)c(C)c1 31903296 GZWVIOZVKCMVSL-HXUWFJFHSA-N 338.451 4.566 0 40 EJAB C[C@@H](Nc1ncnc2ccccc12)c1ccc(OC(F)(F)F)cc1 32816987 OVWHRZGXXIOKRA-LLVKDONJSA-N 333.313 4.702 0 40 EJAB OC1=Nc2nc(N3CCCCC3)sc2[C@@H](c2ccc(F)c(F)c2)C1 36357593 RPVPCUACIMZHKF-LLVKDONJSA-N 349.406 4.535 0 40 EJAB C[C@@H](Cc1ccccc1F)NC(=O)c1cc(C2CC2)nc2ccccc12 65818967 YPJPQKRAMHBNJO-AWEZNQCLSA-N 348.421 4.612 0 40 EJAB Cc1nc2c(ccn3cc(-c4ccc(C(F)(F)F)cc4)cc23)n1C 70503630 YQYZOCLFOCDEEM-UHFFFAOYSA-N 329.325 4.820 0 40 EJAB Cc1ccccc1-c1nnc(-c2ccc(C(=O)OC[C@H]3C[C@H]3C)cc2)o1 71827954 XTDBJNVREHZWHC-RHSMWYFYSA-N 348.402 4.525 0 40 EJAB CC(=O)[C@@H](C)CCCCC(=O)N[C@@H](C)c1ccc2ccccc2c1 89895367 QQUVDOAUSBRFKP-HOTGVXAUSA-N 325.452 4.803 0 40 EJAB Cc1cccc([C@@H](C)SCc2csc(-c3ncccn3)n2)c1 95962201 MOALKWDYIOMPIO-CYBMUJFWSA-N 327.478 4.903 0 40 EJAB Cc1ccc(CN2C(=O)S/C(=C\c3ccc(C)s3)C2=O)cc1 106703148 ZMULRFHEMDCRAM-DHDCSXOGSA-N 329.446 4.601 0 40 EJAB COc1cc(COc2ccc(C=O)cc2)ccc1OCc1ccccc1 107834331 UBKMTPFYCUHOMA-UHFFFAOYSA-N 348.398 4.666 0 40 EJAB C[C@H](Nc1ccc2c(c1)COC2)c1nc(-c2ccc(Cl)cc2)no1 152773022 ZIHMVFHZQROSNP-NSHDSACASA-N 341.798 4.593 0 40 EJAB O=C(Nc1ccccc1)N1CCS[C@@H](c2cc(F)ccc2F)CC1 219334579 NQOGIPXGHVCRMC-QGZVFWFLSA-N 348.418 4.677 0 40 EJAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N[C@H](C)c1ccc(C)c(C)c1 219378734 MRBKSLOMULMOAD-UYAOXDASSA-N 339.479 4.955 0 40 EJAB C[C@H](NC(=O)CSc1ccc(Cl)cc1)c1ccc2c(c1)CCC2 223151625 WISAZORQSVRIAD-ZDUSSCGKSA-N 345.895 4.798 0 40 EJAB CSc1ccccc1C(=O)NCCOc1ccccc1C(C)(C)C 223670492 LVZFDFCFECBVAS-UHFFFAOYSA-N 343.492 4.515 0 40 EJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N1c2ccccc2C[C@H]1C 225488241 NBJDIXGVDXSWAI-ZHRRBRCNSA-N 349.474 4.701 0 40 EJAB O=C(NCCSCc1ccc(Cl)c(Cl)c1)c1ccccc1 408907275 NVPZINGHYBEJSF-UHFFFAOYSA-N 340.275 4.657 0 40 EJAB Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(C)cc3)cc2)cc1 59297 VVPLLDILYHOCCN-UHFFFAOYSA-N 344.414 4.808 0 40 EJAB CCCn1c([C@H]2CC(=O)N(c3ccc(CC)cc3)C2)nc2ccccc21 252006 BXCIBDJQGPYSQC-KRWDZBQOSA-N 347.462 4.529 0 40 EJAB CC1(C)[C@]2(C(=O)Nc3cc(Cl)ccc3Cl)CC[C@@]1(C)C(=O)C2 309641 PFWDTZXZKWFNGJ-DLBZAZTESA-N 340.250 4.717 0 40 EJAB Fc1ccc(NC(=S)NC(c2ccccc2)c2ccccc2)cc1 319337 MNXQTVTYTIQMEM-UHFFFAOYSA-N 336.435 4.902 0 40 EJAB COc1cccc(C(=O)Nc2ccccc2-c2ccccc2)c1OC 496548 MKFLEGVMRXGWRW-UHFFFAOYSA-N 333.387 4.623 0 40 EJAB CC(C)Oc1ccc(C(=O)Nc2ccccc2N2CCCCC2)cc1 569668 UNSLGLWREPLYKW-UHFFFAOYSA-N 338.451 4.716 0 40 EJAB C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc2ccccc12 579787 YSAYAFGZIQVJFY-CYBMUJFWSA-N 325.795 4.899 0 40 EJAB CC(=O)Oc1ccc2ccccc2c1CN(C(C)=O)c1ccc(C)cc1 1679499 MCEIWKGVRRBRRX-UHFFFAOYSA-N 347.414 4.627 0 40 EJAB O=C1C=Cc2ccccc2C1=CNc1ccc(OC(F)(F)F)cc1 2581815 WRAIRJSFOXWDPP-UHFFFAOYSA-N 331.293 4.634 0 40 EJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(F)c(F)c1F 2632003 XCIPLXVZCWLBKA-UHFFFAOYSA-N 343.732 4.553 0 40 EJAB O=C(/C=C/c1c(Cl)cccc1Cl)Nc1cccnc1Cl 2748625 HZCZQUYJCBDWDX-VOTSOKGWSA-N 327.598 4.694 0 40 EJAB CCOc1ccc(-c2nc(-c3ccc(Cl)cc3)no2)cc1OCC 4281397 FJCXAZJDISASOJ-UHFFFAOYSA-N 344.798 4.854 0 40 EJAB FC(F)(F)c1cccc(CSc2nc3cc(Cl)cnc3[nH]2)c1 5454199 BSWCERRYAPHEDQ-UHFFFAOYSA-N 343.761 4.922 0 40 EJAB CCc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc3c(c2)CCCC3)cc1 5504664 AOYYQQRSYVICFT-OAHLLOKOSA-N 336.431 4.556 0 40 EJAB CCc1cc2c(=O)c(-c3csc(-c4ccccc4)n3)coc2cc1O 5686759 XZYCUXKGLZJNRL-UHFFFAOYSA-N 349.411 4.852 0 40 EJAB Clc1cccc(C2=NN=C(Nc3ccccc3Cl)SC2)c1 6114283 VAQFPZOBEXXEDG-UHFFFAOYSA-N 336.247 4.912 0 40 EJAB Cc1onc(-c2ccccc2)c1C(=O)N[C@@H](C)c1ccc(Cl)cc1 6628352 KJZRXOUARRCTBT-LBPRGKRZSA-N 340.810 4.794 0 40 EJAB Cc1ccc(NC(=O)c2sc(-c3ccccn3)nc2C)cc1Cl 8007575 RQPIDZACDAXNNF-UHFFFAOYSA-N 343.839 4.728 0 40 EJAB CCCCC1CCC(C(=O)NC[C@@H](c2ccco2)N2CCCC2)CC1 8915189 KHBAGKKFBRJIQE-ACBHZAAOSA-N 346.515 4.529 0 40 EJAB CC[C@H](C)c1ccc(N[C@H](C(=O)NC2CC2)c2ccc(F)cc2)cc1 11157469 HDHOEALXDLFSSP-XOBRGWDASA-N 340.442 4.771 0 40 EJAB O=c1[nH]c2c(s1)[C@H](c1ccccc1Cl)[C@H]1[C@@H](S2)[C@H]2CC[C@@H]1C2 11859693 JSSBVGZWZPTGCP-QDTODVHCSA-N 349.908 4.742 0 40 EJAB Clc1ccc2oc(-c3ccccc3)c/c(=N\C[C@H]3CCCO3)c2c1 12374218 BPXYYHNYOVWVCL-XEFZIOHMSA-N 339.822 4.833 0 40 EJAB Cc1ccc(C(=O)Nc2nc(C34CC5CC(CC(C5)C3)C4)cs2)o1 12993707 KQFPPLJAKQJLOX-UHFFFAOYSA-N 342.464 4.765 0 40 EJAB Cc1ccc(SCCNC(=O)[C@H](C)Sc2ccc(C)cc2)cc1 16310969 QRKAACYXMTXZEL-INIZCTEOSA-N 345.533 4.693 0 40 EJAB CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@H]1CCCc2ccccc21 20462508 YOFAZGCBHAFBGS-ZWKOTPCHSA-N 343.854 4.691 0 40 EJAB O=C(CNc1ccc2oc3ccccc3c2c1)Nc1cccc(F)c1 32679625 VSSDZEMWFFRPFU-UHFFFAOYSA-N 334.350 4.776 0 40 EJAB CC[C@@H](NC(=S)Nc1cccc(OC)c1)c1ccc(C)c(C)c1 39974144 OUVUGFKGMVBPIB-GOSISDBHSA-N 328.481 4.750 0 40 EJAB Cn1cccc1CN(Cc1cccs1)C(=O)c1cccc(Cl)c1 49026654 PYKBTWNKTKPFPR-UHFFFAOYSA-N 344.867 4.583 0 40 EJAB CN(c1ccccc1)c1ccccc1NC(=O)/C=C/c1cscn1 50316149 UGAKYAPBAZMVIS-VAWYXSNFSA-N 335.432 4.563 0 40 EJAB Cc1cccc(NC(=O)[C@H](c2ccc(Cl)cc2)N2CCCCC2)c1 57317478 XMAAGVPVJXZCQN-IBGZPJMESA-N 342.870 4.814 0 40 EJAB COc1cc(CN(C)C(=O)Nc2c(C)cccc2C)ccc1SC 58606096 XIGLMMRJPVCYHE-UHFFFAOYSA-N 344.480 4.698 0 40 EJAB Cc1[nH]c2c(C(=O)NCc3ccccc3OC(C)C)cccc2c1C 65500102 HFTYJRKJGRGJIB-UHFFFAOYSA-N 336.435 4.502 0 40 EJAB Cc1nc2ccccc2n1CC(=O)O[C@H](C)c1cccc2ccccc12 71830280 YCQHZSPXTOOIQC-OAHLLOKOSA-N 344.414 4.802 0 40 EJAB CCCCN1CCCC[C@H]1c1ccc(N(C)C(=O)OC(C)(C)C)nc1 72214463 ONFCVLSVIBXOBE-KRWDZBQOSA-N 347.503 4.780 0 40 EJAB CCCN1CCCC[C@@H]1c1cccnc1N(CC)C(=O)OC(C)(C)C 72214816 JTGPUQCILAPFEH-QGZVFWFLSA-N 347.503 4.780 0 40 EJAB CCCN1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C(C)C)nc1 72214860 ZTZZOACQJFUUBY-KRWDZBQOSA-N 347.503 4.778 0 40 EJAB C[C@@H](N[C@H](CO)c1ccc(Cl)c(F)c1)c1ccc(Cl)cc1 92769335 IAUZZTXZEUXUMU-QLJPJBMISA-N 328.214 4.517 0 40 EJAB Cc1ccc(-c2ncc(CNc3ccnn3[C@@H](C)C3CC3)s2)cc1 97002080 MAIRQKNLJIZIRY-AWEZNQCLSA-N 338.480 4.898 0 40 EJAB Cc1cc(OCCCC(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)ccc1Cl 104745360 KDRWISDSIVSYKX-MUQADHOPSA-N 349.902 4.748 0 40 EJAB COc1cccc(CNc2ccc(Br)c(Cl)c2)c1 218016090 ROJKTOQLQZCZRD-UHFFFAOYSA-N 326.621 4.723 0 40 EJAB S=C(NCC1(c2ccc(Cl)cc2)CCCC1)Nc1ccccn1 223975258 XUZLEHXVVPRBHO-UHFFFAOYSA-N 345.899 4.533 0 40 EJAB CC(C)(Cc1ccccc1)NC(=O)COc1ccc(C(C)(C)C)cc1 224122341 PRUDFGPEPUYYOQ-UHFFFAOYSA-N 339.479 4.500 0 40 EJAB CCCn1c(Cc2ccccc2)nnc1SCCc1ccccc1 409107529 RZUMZOUQNKVEGV-UHFFFAOYSA-N 337.492 4.614 0 40 EJAB Cc1c([C@H](NCc2cnn(CC(F)F)c2)C(C)C)oc2ccccc12 510982300 KRWWDLDDGCRJBO-GOSISDBHSA-N 347.409 4.690 0 40 EJAB O=C(c1ccc(Cl)c(C(F)(F)F)c1)C(F)(F)Br 575361265 VVTQWMQHEFADGR-UHFFFAOYSA-N 337.469 4.529 0 40 EJAB Cc1ccc(C(=O)c2ccc(F)cc2Cl)c(Br)c1 1857788111 BRTRNPPJQWXXIV-UHFFFAOYSA-N 327.580 4.781 0 40 EJAB Cc1c(-c2ccc(Cl)cc2)nc2ccccc2c1NCCN(C)C 395959 QNTBKJSMKZYAGO-UHFFFAOYSA-N 339.870 4.837 0 40 EJAB O=C(Nc1nc2c(s1)CCCC2)c1cc(Cl)ccc1Cl 477745 VRONYLSCJBMHKG-UHFFFAOYSA-N 327.236 4.581 0 40 EJAB CN(OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1 983981 FGCMZGQPIQZYOE-UHFFFAOYSA-N 325.195 4.589 0 40 EJAB CC[C@@H](C)c1ccccc1OC[C@H](C)OC(=O)Cc1ccccc1 1583816 FCAYWXFELFRLKO-SJORKVTESA-N 326.436 4.753 0 40 EJAB C[C@H]1CCCc2sc3ncn4nc(-c5ccc(F)cc5)nc4c3c21 2346231 MKJXTZXQXDJCEM-JTQLQIEISA-N 338.411 4.585 0 40 EJAB CSc1ccc(C(=O)CCc2cccc(Br)c2)cc1 2516706 UJTCXKMXRNLLTK-UHFFFAOYSA-N 335.266 4.987 0 40 EJAB O=C(CCCSc1ccccc1)Nc1nc2ccccc2s1 3415236 AKMDTYGVEKSLIP-UHFFFAOYSA-N 328.462 4.807 0 40 EJAB COc1cccc2sc(Nc3nc4c(s3)C[C@@H](C)CC4)nc12 4121609 BWWANEKEBKYIPD-VIFPVBQESA-N 331.466 4.630 0 40 EJAB COc1ccc(CNc2ncc(-c3ccccc3)n2C)c2ccccc12 4678315 DYYFRXXHXZGNMW-UHFFFAOYSA-N 343.430 4.861 0 40 EJAB CCCCCc1nnc(NC(=O)c2ccccc2C(F)(F)F)s1 5938386 ZFARRAJNARNHQO-UHFFFAOYSA-N 343.374 4.542 0 40 EJAB CCCC(=O)c1cn(CC(=O)Nc2cccc(C)c2C)c2ccccc12 6203108 ADBAYVFNUYLZBL-UHFFFAOYSA-N 348.446 4.880 0 40 EJAB O=C(c1c[nH]c2ccccc12)[C@H](Sc1ncccn1)c1ccccc1 6911134 UBSBKQIQUGINAW-LJQANCHMSA-N 345.427 4.674 0 40 EJAB O[C@H](c1ccccc1)c1nc2ccccc2n1Cc1ccc(Cl)cc1 8361802 FVLUDMCQFDMOIO-HXUWFJFHSA-N 348.833 4.820 0 40 EJAB COc1cc(CNC2CCCC2)ccc1OCc1ccc(Cl)cc1 8471470 BJHNLJKBNCPBFS-UHFFFAOYSA-N 345.870 4.960 0 40 EJAB COc1ccc(C(=O)Oc2ccc(-c3ccccc3)cc2)c(OC)c1 8714199 ROEQMCJIPFXPKE-UHFFFAOYSA-N 334.371 4.590 0 40 EJAB Cc1ccc(-c2cnc3c(-c4ccc(Cl)cc4)c(C)nn3c2N)cc1 8730756 XDAUMBFVFKYWRP-UHFFFAOYSA-N 348.837 4.916 0 40 EJAB O=C(c1ccccc1OCc1ccccc1)N1CCCc2ccccc21 13687466 GBYGYOAMTZBTAB-UHFFFAOYSA-N 343.426 4.859 0 40 EJAB Cc1oc(-c2ccccc2)nc1CC(=O)Nc1cc(Cl)ccc1F 14900025 JTGPODODGRPNBC-UHFFFAOYSA-N 344.773 4.624 0 40 EJAB C[C@@H](c1ccccc1)c1nnc(NC(=O)c2ccc(Cl)cc2)s1 17056902 WPXKYTNKOCKRBY-NSHDSACASA-N 343.839 4.596 0 40 EJAB CCOc1cc(CNC(C)(C)C)ccc1OCc1ccc(C)cc1 20874279 SXUDDBIMTFPNBU-UHFFFAOYSA-N 327.468 4.861 0 40 EJAB CCc1ccccc1Nc1ncnc2c1cnn2-c1ccc(C)c(C)c1 22628087 APBVFVXACRDNNC-UHFFFAOYSA-N 343.434 4.738 0 40 EJAB CC[C@@H](C(=O)Nc1nc2c(F)cc(F)cc2s1)c1ccccc1 24766791 HYWJGNOLKLHLEB-GFCCVEGCSA-N 332.375 4.707 0 40 EJAB COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(Cl)cc2)cc1 30755141 JUJMNCAVKBVUIY-GOSISDBHSA-N 331.843 4.866 0 40 EJAB Cc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3)N2Cc2ccccc2)cc1 36020488 RLTHUIVLGQTWJM-AJVCAZFQSA-N 327.427 4.803 0 40 EJAB O=C(Nc1cccnc1Oc1ccccc1)c1cc2ccccc2o1 36759577 XVFJUZMZMZXXFA-UHFFFAOYSA-N 330.343 4.872 0 40 EJAB CC(C)=C1OC(=O)C(C)(C)N2c3ccccc3C(c3ccccc3)=CN12 38337620 NVYRNLTXNLTLEM-UHFFFAOYSA-N 346.430 4.700 0 40 EJAB C[C@H](NC(=O)c1ccc(O)c(Cl)c1)c1cccc(C(F)(F)F)c1 40160045 NSSSCEKFRHTZKV-VIFPVBQESA-N 343.732 4.555 0 40 EJAB Cc1cccc2c1N[C@@H](c1ccc(F)c(-c3cccs3)c1)NC2=O 70020162 GQDCSMDFJPQCON-GOSISDBHSA-N 338.407 4.717 0 40 EJAB CCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2C(C)C)cn1 72214638 XQMYNHXSBAPFDD-KRWDZBQOSA-N 347.503 4.778 0 40 EJAB CCc1ccc([C@H](C)NC(=O)COc2ccc(C(C)C)cc2)cc1 78457845 JGUBFVHOUDMWFU-INIZCTEOSA-N 325.452 4.629 0 40 EJAB COC(=O)[C@H]1[C@@H](c2ccc(-c3ccccc3)cc2)N1C1CCCCC1 90513740 IORCSIWZIMABRA-OJOWTSHBSA-N 335.447 4.585 0 40 EJAB Cc1cc(F)ccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1 96171027 DIVNWWQRJYCNQK-UHFFFAOYSA-N 328.265 4.677 0 40 EJAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)N[C@H](C)c1ccc(C)cc1 113970230 NYTUZZFPFQZACS-IEBWSBKVSA-N 325.452 4.647 0 40 EJAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccc(Cl)c3)N21 222643188 ZSUQXRICNMYPEL-BHYGNILZSA-N 343.883 4.714 0 40 EJAB CCN(Cc1ccccc1)C(=O)COc1cc(C)ccc1C(C)C 225678148 YIVQWBSLYYUKLC-UHFFFAOYSA-N 325.452 4.546 0 40 EJAB CCOc1ncc(NC(=O)C2(c3ccccc3)CCCCC2)cc1C 225865391 XMAUTCJGVRBHEZ-UHFFFAOYSA-N 338.451 4.629 0 40 EJAB O=C1c2ccccc2N[C@@H](c2ccccn2)N1c1ccc(Cl)cc1 128712 YLOCCTNZHHPWTC-GOSISDBHSA-N 335.794 4.506 0 40 EJAB Cc1cc(C)c2oc(-c3ccc(NC(=O)c4ccco4)cc3)nc2c1 247602 JMUALDZZKJUTAO-UHFFFAOYSA-N 332.359 4.957 0 40 EJAB Cc1cccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)c1C 1003667 VPAOYHGWXXTVCE-UHFFFAOYSA-N 340.492 4.728 0 40 EJAB COc1ccc(NC(=O)c2cccc(Oc3ccccc3)c2)c(OC)c1 3348305 BBOBEMREWQNKTJ-UHFFFAOYSA-N 349.386 4.748 0 40 EJAB Cc1ccccc1C(=O)Cc1ccccc1C(=O)N(C)c1ccccc1 3847986 XLZIAEDVYKHUPD-UHFFFAOYSA-N 343.426 4.697 0 40 EJAB biogenic O=C(CNCc1cccs1)Nc1ccc(C2CCCCC2)cc1 4647610 MMGZRDYXIKZGKE-UHFFFAOYSA-N 328.481 4.524 0 40 EJAB O=c1[nH]c(CSC2CCCC2)nc2scc(-c3ccccc3)c12 5175207 JUGKOCHLYWODGJ-UHFFFAOYSA-N 342.489 4.827 0 40 EJAB CCc1cccc(C)c1NC(=S)NCc1ccc2[nH]c(C)cc2c1 8860117 FSISQBMENGWBNZ-UHFFFAOYSA-N 337.492 4.834 0 40 EJAB aggregator O=C(c1c[nH]c2ccccc12)N1CCC[C@@H]1c1nc2ccccc2s1 14142390 OECFZRKXINWIKA-QGZVFWFLSA-N 347.443 4.755 0 40 EJAB CCCCCC(=O)Nc1ccc(NC(=O)c2cccs2)c(OC)c1 14258407 CEMJOGQARHLKMI-UHFFFAOYSA-N 346.452 4.528 0 40 EJAB CC(=O)Nc1cccc(NC(=O)c2ccccc2-c2ccccc2)c1 14474775 DKUPQGDGYYXVGG-UHFFFAOYSA-N 330.387 4.564 0 40 EJAB CCc1ccccc1O[C@H](C)C(=O)N[C@@H](C)c1cc(C)ccc1C 20044384 ZMHSWGKZKLJLIV-DLBZAZTESA-N 325.452 4.511 0 40 EJAB Cc1ccc(N(Cc2ccco2)C(=O)[C@H]2Cc3ccccc3S2)cc1 21445322 LKPKZQNYAAZPTE-HXUWFJFHSA-N 349.455 4.838 0 40 EJAB Cc1cc(C)c([C@@H](C)NC(=O)COc2ccccc2Cl)cc1C 22537428 YNJUZGQRRBDFSS-OAHLLOKOSA-N 331.843 4.521 0 40 EJAB O=C(Cc1c(F)cccc1Cl)c1ccccc1Br 38125734 DDQHQIBNWAGSQV-UHFFFAOYSA-N 327.580 4.667 0 40 EJAB in-vitro CC(C)(C)c1nnc(NC(=O)c2ccccc2-c2ccccc2)s1 40156990 VBFMYMBZXDMTCC-UHFFFAOYSA-N 337.448 4.755 0 40 EJAB C[C@H](C(=O)Nc1ccccc1Cl)N1CCC[C@@H]1c1ccsc1 52803625 BBCTWGHZQXJGKP-MLGOLLRUSA-N 334.872 4.566 0 40 EJAB O=C(Nc1ccc(Cl)cc1)N(Cc1ccccc1)C[C@@H]1CCCO1 57996957 WKFUWAFNTLESGF-SFHVURJKSA-N 344.842 4.553 0 40 EJAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)N(CC(C)C)C(C)C 58162565 BMXUYDGDZGRWMC-UHFFFAOYSA-N 334.460 4.764 0 40 EJAB Cc1ccc(CN(C(=O)c2ccncc2)[C@@H]2CCc3ccccc32)cc1 69983014 BDWRCBYFDHLAHN-JOCHJYFZSA-N 342.442 4.720 0 40 EJAB Brc1ccc2nc3ccc(Br)cc3cc2c1 168993169 MGAAUJYLQGQIOK-UHFFFAOYSA-N 337.014 4.913 0 40 EJAB CCCOCc1cc(C(=O)Nc2ccc(F)cc2F)ccc1OCC 224706295 WGIJAXDAEIBBSI-UHFFFAOYSA-N 349.377 4.542 0 40 EJAB Cc1ccc(C)c(NC(=S)N[C@@H]2CC(C)(C)Oc3ccccc32)c1 225575016 HOIXRIMUSDYYFF-QGZVFWFLSA-N 340.492 4.892 0 40 EJAB O=C(Nc1ccc(Br)c(Cl)c1)NC1CCCCC1 225755108 XJNLOZSWSLKLPI-UHFFFAOYSA-N 331.641 4.557 0 40 EJAB C[C@@H]1CCCCN1c1ccc(NC(=O)c2ccccc2Cl)cc1N 226266122 JJMBTMIDKWYDCS-CYBMUJFWSA-N 343.858 4.553 0 40 EJAB Fc1ccc(CSc2nnc(C34CC5CC(CC(C5)C3)C4)o2)cc1 408582727 POUIAZVNXVXCRD-UHFFFAOYSA-N 344.455 4.969 0 40 EJAB Cc1ccc2oc(=O)c(-c3cccc(Br)c3)c(C)c2c1 57816 DFHSDHPGVFZGQH-UHFFFAOYSA-N 329.193 4.839 0 40 EJAB biogenic COc1cc(Cl)c(C)cc1NC(=O)Nc1cccc(Cl)c1 145433 KKHLYZGCXJLQQS-UHFFFAOYSA-N 325.195 4.954 0 40 EJAB Clc1cc(-c2nnc(SCc3ccccc3)o2)cc(Cl)n1 166707 BKFQHZQGWFACSD-UHFFFAOYSA-N 338.219 4.731 0 40 EJAB O=C(COc1ccc(Cl)cc1)Nc1cc(Cl)cc(Cl)c1 296446 FYSSXFUDGOHDCD-UHFFFAOYSA-N 330.598 4.664 0 40 EJAB O=C(COc1ccccc1Cl)Nc1ccc(Cl)c(Cl)c1 483600 KQXUEKLCOPPNST-UHFFFAOYSA-N 330.598 4.664 0 40 EJAB Cc1ccc(C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)o1 818342 VUALAXTVQRKXJV-UHFFFAOYSA-N 332.812 4.541 0 40 EJAB CCN(CC)C[C@@H](C)[C@@](O)(Cc1ccccc1)c1ccc(Cl)cc1 1698637 RUSRLRVPPPZXLK-UTKZUKDTSA-N 345.914 4.748 0 40 EJAB O=C(Nc1ccc2c(c1)Cc1ccccc1-2)C(Cl)(Cl)Cl 2001128 JHKOTHFZXPLADW-UHFFFAOYSA-N 326.610 4.567 0 40 EJAB CC1(C)COC(CCCCC(=O)c2cc(F)c(F)cc2Cl)OC1 2518174 LMYSVENAKRJHBY-UHFFFAOYSA-N 346.801 4.760 0 40 EJAB CCN(CCCNc1nc(=S)[nH]c2ccccc12)c1ccccc1 2932954 WMCUXLWSUIQCFW-UHFFFAOYSA-N 338.480 4.621 0 40 EJAB CC(=O)Nc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 3462581 CFPOBDXKSHVRFO-YCRREMRBSA-N 349.217 4.604 0 40 EJAB Cc1ccc(C(=O)CSc2nccc(-c3ccccc3)n2)cc1C 4339032 JLYFHDRMKIIWPT-UHFFFAOYSA-N 334.444 4.735 0 40 EJAB Fc1ccc(CSc2nnc(-c3cccs3)n2C2CC2)cc1 5357824 JUVWNVKPRWCWMW-UHFFFAOYSA-N 331.441 4.773 0 40 EJAB CC(C)c1ccccc1NS(=O)(=O)c1cc(Cl)ccc1Cl 5384808 MOEOFAJKYQRHFE-UHFFFAOYSA-N 344.263 4.918 0 40 EJAB CCC[C@@H](C(=O)Nc1nc2ccc(F)cc2s1)c1ccccc1 6875827 JFKMNQKTNMWDOV-CQSZACIVSA-N 328.412 4.958 0 40 EJAB CC(C)(C)C1CCC(C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1 8393236 XWHUDZIQZZQYND-UHFFFAOYSA-N 342.483 4.604 0 40 EJAB COc1cc(C)c(NC(=O)c2ccc(C(C)(C)C)cc2)cc1OC 8735864 HUGPGHDWLQXGLL-UHFFFAOYSA-N 327.424 4.562 0 40 EJAB COc1cccc(NC(=O)c2ccccc2OCc2ccccc2)c1 14035496 ZMMSMADUBLQKFH-UHFFFAOYSA-N 333.387 4.527 0 40 EJAB Cc1nc2cc(NC(=O)Cc3coc4c(C)c(C)ccc34)ccc2o1 15594649 VJCPNRKNBPYHJY-UHFFFAOYSA-N 334.375 4.680 0 40 EJAB COc1ccc(CN[C@@H](Cc2cccs2)c2nc(C)cs2)cc1 19240085 KXTFFCYTZAVEDK-KRWDZBQOSA-N 344.505 4.595 0 40 EJAB Cc1sc2c(c1C)CN(CCC(C)C)CN2C(=O)c1ccccc1 20193337 DZDDWSPGQOZUGX-UHFFFAOYSA-N 342.508 4.831 0 40 EJAB CSc1cccc(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)c1 20487180 WBQPYMZYPNEDOC-OAHLLOKOSA-N 329.465 4.740 0 40 EJAB Cn1ncc2c(C(F)(F)F)cc(-c3ccc(Cl)c(Cl)c3)nc21 20604962 SCVWPAWYEZIHBW-UHFFFAOYSA-N 346.139 4.961 0 40 EJAB Cc1c(NC(=O)c2ccccc2)cc(C(C)C)c(O)c1Br 26787196 IPLFNQFEGZPTTG-UHFFFAOYSA-N 348.240 4.839 0 40 EJAB O=C(c1cc(F)ccc1F)N(Cc1ccccc1)Cc1ccccc1 28210760 RURNLNUEVPBYGM-UHFFFAOYSA-N 337.369 4.807 0 40 EJAB C[C@H](NC(=O)N(C)Cc1ccccc1C(F)(F)F)c1ccccc1 32794933 UULRKCUURUAEFF-ZDUSSCGKSA-N 336.357 4.608 0 40 EJAB Cc1nc2c3ccccc3nc(S[C@H](C)c3ccc(F)cc3)n2n1 32871530 ISURWEDSQLOMEI-LLVKDONJSA-N 338.411 4.578 0 40 EJAB Cc1nc(C(=O)N(c2cccc3cccnc23)C2CCCC2)cs1 69892863 XTNJOTXMQLDFJK-UHFFFAOYSA-N 337.448 4.589 0 40 EJAB COC(=O)c1nc(-c2ccc(C)cc2)oc1SCc1ccccc1 80346129 RNYMVRZWIKPYPA-UHFFFAOYSA-N 339.416 4.729 0 40 EJAB O=C(Nc1ccc(NC2CCOCC2)cc1)c1ccc2ccccc2c1 84605824 VSCHBJSYOBNYRT-UHFFFAOYSA-N 346.430 4.683 0 40 EJAB CC[C@H](NC(=O)[C@@H](C)Oc1ccccc1C)c1ccc(C)c(C)c1 219289838 KQJCSMVEPIZWQI-MJGOQNOKSA-N 325.452 4.647 0 40 EJAB Cc1cc(C)c(C)c(OCC(=O)Nc2ccc3c4c(cccc24)CC3)c1 224267928 JCBYWHLYKYAZDP-UHFFFAOYSA-N 345.442 4.881 0 40 EJAB CC[C@@H](CNC(=S)Nc1ccc(F)cc1F)Cc1ccccc1 225631417 NRPRNMZOWMLFCS-CYBMUJFWSA-N 334.435 4.520 0 40 EJAB CCCOc1c(C)cc(NC(=O)[C@@](C)(CC(C)C)OCC)cc1C 225690468 XDMYMURWWYIREN-HXUWFJFHSA-N 335.488 4.872 0 40 EJAB Cc1ccnc(N(Cc2ccc(F)cc2F)C(=O)OC(C)(C)C)c1 228948874 GTGUWCMBOFVABB-UHFFFAOYSA-N 334.366 4.610 0 40 EJAB Cc1nnc([C@@H](C)NC(c2ccccc2C)c2ccccc2C)s1 252486141 HHXQQTGDZFDTBC-OAHLLOKOSA-N 337.492 4.904 0 40 EJAB O=C(/C=C/c1cccs1)N[C@H](c1ccsc1)c1cccs1 390827087 TVAXWZUQWPBSHT-SQRWCISFSA-N 331.487 4.790 0 40 EJAB Cc1ccc(C(=O)CCC(=O)Nc2ccc(C)c(Cl)c2)c(C)c1 408836141 ZKZUIUQSSLEUEX-UHFFFAOYSA-N 329.827 4.867 0 40 EJAB CC(C)N1C(=O)S/C(=C/c2cccc(Oc3ccccc3)c2)C1=O 409022478 PRVVIDYQCBAPOA-SFQUDFHCSA-N 339.416 4.924 0 40 EJAB CC1(C)CCCC[C@@H]1NCc1csc(-c2cccc(C(=O)O)c2)n1 583636006 DOWBDXVNMXIRGR-INIZCTEOSA-N 344.480 4.567 0 40 EJAB COc1cccc(CN2C[C@H]3CCC[C@@]3(COCC3CCCC3)C2)c1 2055714887 WWXVWVKFJKBXFH-IRLDBZIGSA-N 343.511 4.504 0 40 EJAB Cc1cccc(Cl)c1CNC(=O)C[C@H](C)C(Cl)(Cl)Cl 165054 QJGBCHQEDVSZRC-VIFPVBQESA-N 343.081 4.661 0 40 EJAB CCOc1ccc(-c2cn(-c3ccccc3OC)c(=S)[nH]2)cc1 424429 VTWPVYGREZZHSQ-UHFFFAOYSA-N 326.421 4.609 0 40 EJAB CCCCOc1ccc(NC(=O)COc2c(C)cc(C)cc2C)cc1 3101364 VUNIBEJSLPFISY-UHFFFAOYSA-N 341.451 4.808 0 40 EJAB C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N1CCCc2ccccc21 3404649 UKSALCBLKMSGRB-LBPRGKRZSA-N 349.261 4.773 0 40 EJAB Cc1ccc(Nc2c(-c3c[nH]c4ccccc34)nc3cnccn23)cc1 3896514 SVTIJIYQIWQVQM-UHFFFAOYSA-N 339.402 4.930 0 40 EJAB COc1cccc(-c2cnc(NCc3c(F)cccc3Cl)n2C)c1 4678420 AIHYAKKQMXGVCF-UHFFFAOYSA-N 345.805 4.500 0 40 EJAB CCCOc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1OC 4681592 UZQFIKIXUGICTR-UHFFFAOYSA-N 333.815 4.698 0 40 EJAB COc1ccc2c(c1)CC[C@@H]1[C@@H]3CC[C@@](C)(N(C)C)[C@@]3(C)CC[C@@H]21 4900236 IXZPZMBLHXZOLG-KNOXWWKRSA-N 327.512 4.872 0 40 EJAB Cc1cc(C)cc(C(=O)Nc2cccc(-c3cn4ccsc4n3)c2)c1 5083486 ZLCLXTLLSMHBPI-UHFFFAOYSA-N 347.443 4.932 0 40 EJAB C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(C(F)(F)F)cc1 5862066 KOVPPZPRCHEAHS-JTQLQIEISA-N 343.732 4.765 0 40 EJAB CCc1ccc2occ(CC(=O)Nc3cc(Cl)ccc3OC)c2c1 6809760 WDJVYXFNAZTRLT-UHFFFAOYSA-N 343.810 4.838 0 40 EJAB CCCCNCc1cc(Cl)c(OCc2cccs2)c(OC)c1 7261646 CEXQDJYMCSKFFJ-UHFFFAOYSA-N 339.888 4.879 0 40 EJAB O=C(COc1ccc(Cl)c2cccnc12)Nc1ccccc1Cl 7612334 HACRRMZAUHLAAQ-UHFFFAOYSA-N 347.201 4.559 0 40 EJAB CCCN1C(=O)c2ccccc2N[C@@H]1c1ccccc1C(F)(F)F 7886456 LIBKHTXVLKJIKI-INIZCTEOSA-N 334.341 4.682 0 40 EJAB C[C@H]1CCN(C(=O)CSc2ccccc2F)c2ccccc2S1 7910526 KQCDIQMMZNVBJV-ZDUSSCGKSA-N 347.480 4.835 0 40 EJAB CCc1ccc(CCC(=O)NCc2ccc(Cl)cc2Cl)cc1 10334937 NJZKHWUYYYZYSX-UHFFFAOYSA-N 336.262 4.805 0 40 EJAB O=C(NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)C1CCCCC1 10692037 IQCTWUCLJSANOD-FQEVSTJZSA-N 346.474 4.996 0 40 EJAB C/C=C/c1cc(C(=O)N(C)[C@@H](C)c2ccccc2)cc(OC)c1OC 12765247 PGYMTHGPQCVBTC-WGPYJDKQSA-N 339.435 4.570 0 40 EJAB O=C(NCCSc1ccccc1)c1ccc(Cl)cc1Cl 15136912 JZBXSRGKJOXOAN-UHFFFAOYSA-N 326.248 4.516 0 40 EJAB O=C(CSC(c1ccccc1)c1ccccc1)NC1CCCC1 15593157 JNKLTMTXBREXHZ-UHFFFAOYSA-N 325.477 4.568 0 40 EJAB O=C(Nc1nnc(C2CCCCC2)s1)C12CC3CC(CC(C3)C1)C2 16722101 DOCAWPRAKUIYGK-UHFFFAOYSA-N 345.512 4.741 0 40 EJAB O=C(CCC1CCCCC1)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 19625084 SKBIMQHWDYAWPV-UHFFFAOYSA-N 339.361 4.881 0 40 EJAB CN(Cc1ccc(C(C)(C)C)cc1)C(=O)c1cccc2cccnc12 23244361 PHDOMHGUTQKQIO-UHFFFAOYSA-N 332.447 4.805 0 40 EJAB C[C@H](N[C@H](C)c1nnc(-c2ccccc2)o1)c1ccccc1Cl 26362661 SJLYNPRQXHSQDD-QWHCGFSZSA-N 327.815 4.802 0 40 EJAB O=C(Cc1coc2cc3c(cc12)CCC3)N(Cc1ccccc1)C1CC1 31097045 ZFTYKIITXNDIDH-UHFFFAOYSA-N 345.442 4.655 0 40 EJAB O=C1Nc2cc(Cl)ccc2/C1=C/c1ccccc1OC(F)(F)F 40267606 FHGVAFYGJFAUNF-GHXNOFRVSA-N 339.700 4.731 0 40 EJAB CCCn1c(SCc2cc(C)ccc2C)nc2ccccc2c1=O 59094199 VFDNMHGKKQJYJL-UHFFFAOYSA-N 338.476 4.716 0 40 EJAB Cc1ccc(Nc2c(C(=O)N3CCCC3)cnc3ccc(F)cc23)cc1 64471787 BWUNHOUQDUKPHG-UHFFFAOYSA-N 349.409 4.662 0 40 EJAB CSc1ccc([C@@H]2SC(C)=Nc3c2c(O)nn3C(C)C)cc1 71284692 XUIKUPPABIETKU-AWEZNQCLSA-N 333.482 4.778 0 40 EJAB Cc1ccc(NC(=S)Nc2ccccc2Br)c(F)c1 71326081 BKUYEMNJSSXLLY-UHFFFAOYSA-N 339.233 4.706 0 40 EJAB Cc1ccc(C2=C[C@H](c3cccc4ccccc34)n3ncnc3N2)cc1 102407151 PWBQCHULAMYKQV-OAQYLSRUSA-N 338.414 4.796 0 40 EJAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(C)cc1C)c1ccc(C)c(C)c1 219534956 YIEOOEGZMLTKQS-UYAOXDASSA-N 339.479 4.955 0 40 EJAB CC[C@H](Oc1ccc(C)cc1)C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 223227753 SCHWGUJJYQKXLD-KKSFZXQISA-N 337.463 4.519 0 40 EJAB Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2 223413965 PWICMWFUEQKJND-IAGOWNOFSA-N 337.463 4.519 0 40 EJAB Cc1cc(C)c([C@H](C)NC(=O)COc2cccc(Cl)c2)cc1C 223490084 SGJWKIHEAOQHAR-HNNXBMFYSA-N 331.843 4.521 0 40 EJAB CCCOc1ccccc1CCCNC(=O)c1ccc(Cl)cc1F 224545489 HMSNNZPMICCCFN-UHFFFAOYSA-N 349.833 4.631 0 40 EJAB CCOCc1cc(C(=O)Nc2ccccc2Cl)ccc1OCC 224694628 DGERZQLGLPLDEU-UHFFFAOYSA-N 333.815 4.528 0 40 EJAB CCCOCc1cc(C(=O)NC2CCCCCCC2)ccc1OCC 224711539 CZHRFAUIEQOAPT-UHFFFAOYSA-N 347.499 4.855 0 40 EJAB Cc1nc(-c2cccc(N[C@H]3CCN[C@@H](c4ccccc4)C3)c2)oc1C 572510839 WBZSAIYPEBRCGK-LEWJYISDSA-N 347.462 4.864 0 40 EJAB Cc1nc(SCc2c(C)noc2C)c2c3c(sc2n1)CCCC3 90005 IPFOWQKYVIMQJK-UHFFFAOYSA-N 345.493 4.776 0 40 EJAB C[C@@H]1CN=C(N(C(=O)Nc2ccccc2)[C@H](C)c2ccccc2)S1 503376 WRLMYLQCBSGTDJ-HUUCEWRRSA-N 339.464 4.773 0 40 EJAB CC(=O)Nc1nnc(SCc2c(C)cc(C(C)(C)C)cc2C)s1 554645 VOKMGBFTXWFEQZ-UHFFFAOYSA-N 349.525 4.703 0 40 EJAB Fc1ccc(Cn2ccc(-c3cnc(-c4ccccc4)s3)n2)cc1 1389016 ZORHVSCAWODFPX-UHFFFAOYSA-N 335.407 4.861 0 40 EJAB Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)OC(=O)NC(C)C 1394802 OXZWTAGUDWOEAL-NSHDSACASA-N 338.860 4.968 0 40 EJAB Cc1cc(=O)n([C@H](C)Cc2ccccc2)n1[C@@H](C)Cc1ccccc1 1710582 WSNZBSJULJWCGD-ZWKOTPCHSA-N 334.463 4.566 0 40 EJAB O=c1c(-c2ccc(Cl)cc2)c[nH]n1-c1cccc(C(F)(F)F)c1 3133802 WDWNFNKSOZZQOA-UHFFFAOYSA-N 338.716 4.505 0 40 EJAB c1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cccs2)cc1 3900806 GOWACXPZKVVISS-YLJYHZDGSA-N 332.428 4.990 0 40 EJAB CCSc1cccc(C(=O)Nc2ccc3nc(C)sc3c2)c1 4585766 QROZEDYVCZKVCG-UHFFFAOYSA-N 328.462 4.969 0 40 EJAB CCOC(=O)c1c(-c2ccccc2)cc(-c2ccccc2)sc1=O 4666811 XWFLFZZOYDMJEO-UHFFFAOYSA-N 336.412 4.619 0 40 EJAB CCCNC(=O)c1ccccc1NC(=O)Nc1cccc2ccccc12 5007373 DEJGCPKKQYDHPQ-UHFFFAOYSA-N 347.418 4.624 0 40 EJAB Cc1cc(Cl)ccc1OCc1n[nH]c(=S)n1C1CCCCC1 6404293 LVMPLXRDTPIULA-UHFFFAOYSA-N 337.876 4.987 0 40 EJAB C[C@H](NC(=O)c1ccc(F)cc1F)c1ccc(Cl)cc1Cl 6507521 YMNNQBUMHMASMK-QMMMGPOBSA-N 330.161 4.763 0 40 EJAB S=C(NNc1ccccc1)Nc1ccc2cc3ccccc3nc2c1 7095735 LURNBCBYZCLRQM-UHFFFAOYSA-N 344.443 4.702 0 40 EJAB O=C(CCc1ccsc1)NCc1ccc(-c2ccc(Cl)cc2)o1 8427852 SZFIAZZXXIEMNT-UHFFFAOYSA-N 345.851 4.911 0 40 EJAB C[C@H]1CCc2c(c3ccccc3n2C(=O)CSc2ccccn2)C1 10381909 WOGVYFAPESWHTR-AWEZNQCLSA-N 336.460 4.594 0 40 EJAB CC(C)(C)C(=O)Nc1cccc(NC(=O)c2cc(Cl)ccc2F)c1 12764397 AJQDOJFWADDVRC-UHFFFAOYSA-N 348.805 4.716 0 40 EJAB Cc1ccc(NC(=O)c2cc(C)n(Cc3ccco3)c2C)cc1Cl 12781403 SUQQMAGOCPXBDK-UHFFFAOYSA-N 342.826 4.960 0 40 EJAB Clc1ccccc1Oc1ccc(I)cc1 15020583 AQMCGEUNFUCHBG-UHFFFAOYSA-N 330.552 4.737 0 40 EJAB in-vitro 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345.870 4.635 0 40 EJAB Fc1cccc(-c2nc(CN3CCC[C@@H]3c3cccc(F)c3)co2)c1 48262061 YSUPOJSVXCDGJC-LJQANCHMSA-N 340.373 4.957 0 40 EJAB O=C(CCCSc1ccc(C(F)(F)F)cn1)c1ccc(F)cc1 71843556 MMPGFDFRKKLXGJ-UHFFFAOYSA-N 343.345 4.995 0 40 EJAB Cc1csc(CCCCNC(=O)c2c(Cl)cccc2Cl)n1 81653540 QXFQOSAZPGWUST-UHFFFAOYSA-N 343.279 4.511 0 40 EJAB CC(C)=C[C@H]1[C@H](C(=O)OCc2ncc(-c3ccccc3)o2)C1(C)C 89914110 NGISNRZQKUCZRE-MAUKXSAKSA-N 325.408 4.623 0 40 EJAB C[C@H](NC(=O)CCc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 225331853 GTXBXHFCYULPJA-NSHDSACASA-N 340.225 4.943 0 40 EJAB CCOC(=O)c1cccc(NC(=S)NC2CCCCCCC2)c1C 225517765 RJGOVKODCKLRIB-UHFFFAOYSA-N 348.512 4.571 0 40 EJAB Cc1ccc(NC(=S)NCCCc2ccc(Cl)cc2)c(C)c1 225542805 SYZKRLPRWFXPEM-UHFFFAOYSA-N 332.900 4.876 0 40 EJAB CC[C@@H](Nc1cc(C(F)(F)F)nc(C)n1)c1cc(F)ccc1F 564460357 AKVPRIAJBHFESK-GFCCVEGCSA-N 331.288 4.645 0 40 EJAB CC(=O)CSc1ncnc2scc(-c3ccc(Cl)cc3)c12 87764 BKDPDQWETMHVNA-UHFFFAOYSA-N 334.853 4.693 0 40 EJAB CCOC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)csc1N 137220 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CC1=Nc2c(c(C)nn2Cc2ccccc2)[C@H](c2cccc(O)c2)S1 72405837 KZEXZDOQQYBOCP-IBGZPJMESA-N 349.459 4.832 0 40 EJAB CC[C@@H](C)n1nc(NC(=O)Cc2ccc(Cl)cc2Cl)cc1C 95463236 PWFBCVGEALUEAA-SNVBAGLBSA-N 340.254 4.651 0 40 EJAB O=C(Cc1cccc(Cl)c1)Nc1ccc(Cc2ccncc2)cc1 171406379 MUUFDJGBEDWETF-UHFFFAOYSA-N 336.822 4.507 0 40 EJAB Cc1oc(-c2ccco2)nc1C[S@](=O)[C@H](C)c1ccc(Cl)cc1 194542818 CGLXPMCCBUZXQR-SPSFWMDKSA-N 349.839 4.906 0 40 EJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cc(Cl)ccc1OC 216430381 XKGDWYXIEHFLED-QGZVFWFLSA-N 347.842 4.762 0 40 EJAB Cc1cc(NCCCN)c2c(Cl)ccc(Oc3ccccc3)c2n1 222692760 JGQSBXHQMDPHHP-UHFFFAOYSA-N 341.842 4.750 0 40 EJAB CCc1ccc(O[C@H](CC)C(=O)Nc2ccc(F)c(Cl)c2)cc1 222880378 ZVVZOABEHJZLII-QGZVFWFLSA-N 335.806 4.838 0 40 EJAB COc1ccc(C(=O)Nc2ccc(OC3CCCC3)cc2)cc1Cl 224243927 QGNDJBGDKHWXFN-UHFFFAOYSA-N 345.826 4.922 0 40 EJAB CCOc1cccc(NC(=O)CCc2ccc(Cl)cc2Cl)c1 225373085 STBBCTQEWABLHW-UHFFFAOYSA-N 338.234 4.963 0 40 EJAB CC(C)Oc1ccccc1C(=O)Nc1ncc(-c2ccccc2)s1 591945773 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PHXVHWZFCMGBAX-CQSZACIVSA-N 337.366 4.672 0 40 EJAB Fc1cccc(Cl)c1CSc1nnc2c(n1)[nH]c1ccccc12 14070970 SEPACJSJARJBMJ-UHFFFAOYSA-N 344.802 4.591 0 40 EJAB COc1ccc(C(=O)N[C@@H](Cc2ccccc2)c2ccccc2)cc1F 17604641 JKLUGCQTILGDGL-FQEVSTJZSA-N 349.405 4.548 0 40 EJAB COc1cc(C)c(CN2CCCCC[C@@H]2c2cc(C)on2)cc1C 19567358 FNKLWGBOXHNUFM-LJQANCHMSA-N 328.456 4.726 0 40 EJAB Nc1cc(Cl)ccc1NC(=O)C(c1ccccc1)c1ccccc1 20343518 YZYZGFHLWKZYNN-UHFFFAOYSA-N 336.822 4.693 0 40 EJAB Cc1ccc(OCc2cc(-c3ccccc3)on2)c2c1[C@H](C)CC2=O 22134773 KVMUXCRTFAHGNZ-CQSZACIVSA-N 333.387 4.919 0 40 EJAB CSc1cccc(NC(=O)CSCc2ccc(Cl)s2)c1 23119908 GCHVROSTSRNDJW-UHFFFAOYSA-N 343.926 4.995 0 40 EJAB CC1(C)C[C@@H](NCC[C@](C)(c2ccccc2)c2cccs2)CCO1 32093805 PHVYRZUFYKXMPO-GHTZIAJQSA-N 343.536 4.991 0 40 EJAB Cc1ccc2[nH]c(C)c(CCNCc3c(F)cccc3Cl)c2c1 36657773 QIGATVCAYUPAQB-UHFFFAOYSA-N 330.834 4.910 0 40 EJAB COc1ccc(-c2nc(Cc3cn4cccc(C)c4n3)sc2C)cc1 58203290 HTQUEFPCPPYFLH-UHFFFAOYSA-N 349.459 4.674 0 40 EJAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)Cc1cn(C)c2ccccc12 68236785 TXYZSXILJMURHZ-HNNXBMFYSA-N 346.430 4.687 0 40 EJAB CN(C(=O)NCCc1cc(Cl)cc(Cl)c1)C1CCCCC1 72041393 OUBFZJMSAQGUFT-UHFFFAOYSA-N 329.271 4.510 0 40 EJAB CCCN1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C(C)C 72214920 ZMYXMXQRXRKZNR-KRWDZBQOSA-N 347.503 4.778 0 40 EJAB c1cc(C2CCCCC2)ccc1-c1csc(CN2CCOCC2)n1 78594764 JDWRIOMJWAFKPM-UHFFFAOYSA-N 342.508 4.690 0 40 EJAB CC(C)CN(CC(F)(F)F)C(=O)c1cc2c(s1)CCCCC2 84544209 MMULUQKGICSLDQ-UHFFFAOYSA-N 333.419 4.678 0 40 EJAB CC[C@@H](N[C@H](C)c1ccc(-n2ccnc2C)cc1)c1c(C)noc1C 90886540 DAVNJCKUTULPKH-BFUOFWGJSA-N 338.455 4.587 0 40 EJAB Cc1cccc(C)c1Oc1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 102606892 IPUZYYXWEIVKTB-RTBURBONSA-N 347.414 4.551 0 40 EJAB COc1ccc(-c2cc(C(=O)Nc3ccc(F)cn3)sc2C)cc1 103015555 FIZLGGIIIPXZCC-UHFFFAOYSA-N 342.395 4.519 0 40 EJAB CN(C(=O)[C@H]1C[C@H]2CC[C@H]1C2)[C@@H](c1ccccc1)c1ccc(F)cc1 107329058 IYBCCUAWIHSZMS-HGWQEYRNSA-N 337.438 4.810 0 40 EJAB Cc1ccc(NC(=S)NC2(CCc3ccccc3)CCCC2)nc1 225872753 KAFMCHGTXVLWKV-UHFFFAOYSA-N 339.508 4.622 0 40 EJAB O=C1c2ccccc2CN1c1ccc2nc(-c3ccc(F)cc3)oc2c1 226287045 ANTHHUDQEUSYHJ-UHFFFAOYSA-N 344.345 4.794 0 40 EJAB c1ccc(C(CNc2ncnc3c2CCCC3)c2ccccc2)cc1 1611723007 MWOSLYMUFKEUAQ-UHFFFAOYSA-N 329.447 4.599 0 40 EJAB Cc1cc(OCC(=O)Nc2ccc(OC(C)C)cc2)ccc1C(C)C 144464 CDBZKURVDORIRH-UHFFFAOYSA-N 341.451 4.923 0 40 EJAB CCC(=O)N(Cc1cc2cccc(C)c2nc1Cl)C1CCCC1 412364 GDXQBKLPASKKFO-UHFFFAOYSA-N 330.859 4.878 0 40 EJAB CC(=O)N(CC[C@]1(C(C)C)CCOC(C)(C)C1)Cc1ccccc1 489501 PABJIANJXAGUDR-NRFANRHFSA-N 331.500 4.657 0 40 EJAB O=C(Nc1ccccc1)c1ccc(Cl)c(NC(=O)C2CCCC2)c1 1006515 CWZJQJROOHCVSQ-UHFFFAOYSA-N 342.826 4.721 0 40 EJAB COc1cccc(CO[C@H]2C[C@@H](C)S[C@H]3C=CC(Cl)=C[C@@H]23)c1 4110330 TUBWQLBEFSFOMZ-IEGACIPQSA-N 336.884 4.783 0 40 EJAB Cc1ccc([C@H]2c3cccn3CCN2C(=O)Nc2ccccc2F)cc1 4854552 UWFRKLNHOQECQN-FQEVSTJZSA-N 349.409 4.573 0 40 EJAB CCCCC(=O)N(CC(C)C)c1nnc(-c2ccccc2C)s1 4982425 UFQSLWWCLUDUBR-UHFFFAOYSA-N 331.485 4.693 0 40 EJAB CCc1cccc(CC)c1NC(=S)NCc1ccc(Cl)cc1 5689569 KVQWERZXTFOECM-UHFFFAOYSA-N 332.900 4.951 0 40 EJAB O=C(Nc1ccccc1)c1ccc(CN2CCc3ccccc32)cc1 6982724 APHKTOFRBPMKFO-UHFFFAOYSA-N 328.415 4.502 0 40 EJAB O=C(CCc1ncc(-c2ccccc2Cl)o1)Nc1ccccc1 8748295 GAINKEFXSXMYIL-UHFFFAOYSA-N 326.783 4.566 0 40 EJAB Cc1ccc(S[C@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)cc1 10429975 CTGKEEQPUALICP-MRXNPFEDSA-N 340.492 4.715 0 40 EJAB Cc1ccc(CN(C(=O)c2ccccc2Cl)c2ccccn2)cc1 11914732 GWECMWMCWCSQMW-UHFFFAOYSA-N 336.822 4.890 0 40 EJAB C[C@H]1CCCN(C(=O)c2cn(Cc3ccccc3)c3ccccc23)C1 12545342 ICIBOBHIYAUWRC-KRWDZBQOSA-N 332.447 4.562 0 40 EJAB COc1cccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2)c1 12608710 CFSNOGAUSWTKJO-HXUWFJFHSA-N 348.377 4.605 0 40 EJAB Cc1cnc(N2C(=O)CS[C@H]2c2ccc(Cl)cc2Cl)s1 17198075 UMWJTWJRCXHRSD-LBPRGKRZSA-N 345.276 4.537 0 40 EJAB Cc1ccc([C@@H]2CC(=O)c3cnn(-c4ccc(Cl)cc4)c3C2)cc1 20632744 WOGHTTZPJQJDLV-HNNXBMFYSA-N 336.822 4.747 0 40 EJAB Cc1ccc(-c2cc(C(=O)Nc3ccccc3C(F)(F)F)no2)cc1 27580937 NKZJDJGVDPMPKR-UHFFFAOYSA-N 346.308 4.921 0 40 EJAB Cc1ccc([C@@]2(CCNCc3ccco3)CCOC(C)(C)C2)cc1 27666510 YZNSVMMHVQMLJW-NRFANRHFSA-N 327.468 4.595 0 40 EJAB Cc1c(C(=O)Nc2onc3c2C[C@H](C)CC3)oc2ccc(Cl)cc12 27794715 SAOPDLXEJREZAJ-SECBINFHSA-N 344.798 4.760 0 40 EJAB CC[C@](C)(CCN(C(C)=O)[C@@H]1CCOC(C)(C)C1)c1ccccc1 32069928 ZSQRPKOQHBLCNT-TZIWHRDSSA-N 331.500 4.551 0 40 EJAB C[C@@H](NC(=O)c1c(F)cccc1Cl)c1ccc(-n2cccc2)cc1 32610318 XDODGAOZTCNKGM-CYBMUJFWSA-N 342.801 4.761 0 40 EJAB Clc1cccc(-c2cnc(CSc3ncc4ccccn34)o2)c1 36772376 CNMBCRRCRCEAAQ-UHFFFAOYSA-N 341.823 4.935 0 40 EJAB Cc1cccc(-c2nn3c(N4CCCCCC4)cc(C)nc3c2C)c1 40216752 ASQKMHZFKHOMEA-UHFFFAOYSA-N 334.467 4.702 0 40 EJAB CCc1ccc2c(CN3CCC[C@@H]3c3ccccc3)cc(=O)oc2c1 57531669 LEQNXKZEOMOQKJ-HXUWFJFHSA-N 333.431 4.693 0 40 EJAB CC[C@H](NC(=O)[C@H](C)c1c(C)noc1C)C12CC3CC(CC(C3)C1)C2 58419530 SOMGHNAOCKBOGS-YIGIYOGVSA-N 344.499 4.506 0 40 EJAB c1ccc(COc2ccccc2[C@H]2NN=C(c3ccccc3)S2)cc1 59409011 FKNWLIURXLGMOJ-NRFANRHFSA-N 346.455 4.962 0 40 EJAB COc1ccccc1CNCc1ccc(-c2ccc3c(c2)CCO3)cc1 60970907 BGOWYAZHSVOXID-UHFFFAOYSA-N 345.442 4.587 0 40 EJAB CC[C@@H]1CCCCN1C(=O)c1cc(-c2ccco2)nc2ccccc12 65497485 CMWSIHAMOLZPFQ-OAHLLOKOSA-N 334.419 4.900 0 40 EJAB COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(OC)cc1)CC2 65548174 NVZLMHJJRAAETD-SQFISAMPSA-N 345.398 4.517 0 40 EJAB Cc1ccc(NC(=S)Nc2ccccc2Br)cc1F 71761693 FSHZLPFDHOCUBK-UHFFFAOYSA-N 339.233 4.706 0 40 EJAB Cc1[nH]c(=S)ccc1[C@@H]1CCCCN1C(=O)OCc1ccccc1 72218410 ZIDHQYKXICBYDW-KRWDZBQOSA-N 342.464 4.916 0 40 EJAB C[C@@H](NC(=O)c1ccc(NC(=O)Nc2ccccc2)s1)C(C)(C)C 75610654 UHNVQZMWGJQHOR-GFCCVEGCSA-N 345.468 4.557 0 40 EJAB CCn1c(C)cc(C(=O)N(C)C(c2ccccc2)c2ccccc2)c1C 89300261 LDSOEGLBPQWWGW-UHFFFAOYSA-N 346.474 4.986 0 40 EJAB CN(C(=O)OC(C)(C)C)[C@]1(c2ccccc2Cl)CCCCC1=O 95829243 XWFIPKJXHXVWDZ-SFHVURJKSA-N 337.847 4.545 0 40 EJAB CCCCCOc1cc(OC(F)(F)F)ccc1Br 95915445 CKUPVUPSEKKMDN-UHFFFAOYSA-N 327.140 4.917 0 40 EJAB CO[C@@H](CNC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccsc1 96097501 KBENSZFUFSTKEC-ZDUSSCGKSA-N 345.251 4.564 0 40 EJAB CC1(C)[C@@H](OC(=O)c2ccccc2)C[C@]23CCC[C@@](C)(C[C@@H](O)[C@H]12)C3 104228669 OXQJARXRUUEAIC-JKODCVPLSA-N 342.479 4.589 0 40 EJAB COc1ccc(C(=O)CCc2cccc(C(F)(F)F)c2F)cc1F 199731829 ZCUMRIMGSDOZDF-UHFFFAOYSA-N 344.279 4.808 0 40 EJAB Cc1cc(C)c([C@@H](C)NC(=O)CCSc2ccccc2)cc1C 223399632 IGMPHXVCJXMEIG-QGZVFWFLSA-N 327.493 4.971 0 40 EJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NC(C)(C)CC(C)(C)C 224621566 RSNCNJDTSCAMGG-HNNXBMFYSA-N 325.880 4.828 0 40 EJAB O=C(O)[C@H](Cc1ccccc1Cl)Oc1ccc2ccccc2c1 225057191 HAGJWFVNEQETIA-SFHVURJKSA-N 326.779 4.568 0 40 EJAB CC[C@@H](C)Oc1ccc(NC(=O)C2(OC)CCCCCC2)cc1C 225632010 YEUDOQFIEIQDQA-MRXNPFEDSA-N 333.472 4.850 0 40 EJAB CCCO[C@]1(C(=O)Nc2cc(C)c(OC)c(C)c2)CCC[C@@H](C)C1 225665967 UFQNOWVWKIPTLL-JLTOFOAXSA-N 333.472 4.626 0 40 EJAB CCC(C)(C)NC(=O)c1cccc(OCc2ccccc2Cl)c1 225779399 GOXWBIDUQFVSDG-UHFFFAOYSA-N 331.843 4.837 0 40 EJAB Cc1cccc([C@H](NC(=O)Cc2ccc(F)cc2)c2ccccc2)c1 225780512 QFFGRTAYQFVWSR-JOCHJYFZSA-N 333.406 4.582 0 40 EJAB CCCOc1ncc(NC(=O)C2(c3ccccc3)CCCC2)cc1C 225859494 LOUOWKNWXQTHFW-UHFFFAOYSA-N 338.451 4.629 0 40 EJAB S=C(c1cccc(OCc2ccccc2Cl)c1)N1CCCC1 408571675 CHRLGQYAUMEIJJ-UHFFFAOYSA-N 331.868 4.690 0 40 EJAB Cc1cccc(NC(=O)CSc2nc3cc4ccccc4cc3[nH]2)c1 409390178 BVXSWDUDMAMFAD-UHFFFAOYSA-N 347.443 4.755 0 40 EJAB c1ccc(SCCN2CCC(c3c[nH]c4ncccc34)CC2)cc1 533059887 VNXXQYNXPNOOPA-UHFFFAOYSA-N 337.492 4.535 0 40 EJAB Cc1c(Br)ccc2c(C(=O)O)cc(-c3ccccc3)nc12 1857793922 WZEDYKJIDLEDDJ-UHFFFAOYSA-N 342.192 4.671 0 40 EJAB COc1cccc(NC(=O)COc2ccc(-c3ccc(C)cc3)cc2)c1 121368 SLRLVEWYIQRFHT-UHFFFAOYSA-N 347.414 4.688 0 40 EJAB Cc1ccc(SCc2nc3ccccn3c2Br)cc1 501760 AVYSDNAYDISKFG-UHFFFAOYSA-N 333.254 4.698 0 40 EJAB O=C(NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)c1ccccc1 3328672 XSMNKYIZINDWTQ-FQEVSTJZSA-N 340.426 4.730 0 40 EJAB COc1ccc(Nc2nc(-c3ccc(OC)cc3)c(C)s2)cc1 4867771 VQRIPFYNNHXVPI-UHFFFAOYSA-N 326.421 4.879 0 40 EJAB O=C(c1ccccc1)N1C(=S)C(c2ccccc2)=NC12CCCCC2 4891819 QWMVQLGUXFDITO-UHFFFAOYSA-N 348.471 4.620 0 40 EJAB CC(=O)N1c2cc(C)cc(C)c2[C@H]2OCC[C@@H]2[C@H]1c1cccs1 5050569 NOCGPOGIVZUDDQ-CCKFTAQKSA-N 327.449 4.550 0 40 EJAB CCOc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1OCC 5466544 PSKHVWFPAKLIFK-UHFFFAOYSA-N 337.778 4.529 0 40 EJAB Cc1cccc(CSCC(=O)N[C@@H](C)c2ccccc2Cl)c1 6648226 RJHWCUHRQJJCMR-AWEZNQCLSA-N 333.884 4.759 0 40 EJAB CCc1cccc(CC)c1NC(=O)CN1c2ccccc2CC[C@H]1C 7619147 CHKXRJGBUKEQDT-MRXNPFEDSA-N 336.479 4.591 0 40 EJAB Cc1cc(CSc2nnc(-c3cc4c(s3)CC[C@H](C)C4)o2)on1 8325826 KZURLVMDRQDVDB-VIFPVBQESA-N 347.465 4.512 0 40 EJAB COc1ccc(-c2cc(Nc3cc(Cl)ccc3O)nc(C)n2)cc1 15859152 OXGXNLMDHYDIMB-UHFFFAOYSA-N 341.798 4.563 0 40 EJAB CN(Cc1ccc2ccccc2c1)C(=O)Cc1c(F)cccc1Cl 18825780 JTLMXKROQZONGB-UHFFFAOYSA-N 341.813 4.833 0 40 EJAB Cc1ccc([C@H](C)NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 20035799 UPECHILOZOGULL-HNNXBMFYSA-N 331.843 4.521 0 40 EJAB O=C(CCSCc1ccccc1)N[C@@H]1CCCc2ccccc21 20045604 RDRGVCANNASZIE-LJQANCHMSA-N 325.477 4.504 0 40 EJAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 20105439 SETSKROESJKKTN-HNNXBMFYSA-N 342.197 4.929 0 40 EJAB Cc1cccc(O[C@@H](C)C(=O)N[C@H](CC(C)C)c2ccccc2)c1C 20108956 REFZQPRIVJCCMR-AZUAARDMSA-N 339.479 4.974 0 40 EJAB Cc1cccc(NC(=O)c2ccccc2NC(=O)[C@@H]2CC=CCC2)c1 21353987 RMZBFXZLIRSXAL-MRXNPFEDSA-N 334.419 4.542 0 40 EJAB Cc1ccc2c(Cl)c(C(=O)Nc3onc4c3CCCC4)sc2c1 27662939 QSDJIWSGCSHJOV-UHFFFAOYSA-N 346.839 4.982 0 40 EJAB C[C@H](NC(=O)c1ccccc1Br)c1ccc(Cl)s1 33191544 RKKCITASGGEOKO-QMMMGPOBSA-N 344.661 4.655 0 40 EJAB O=C(Nc1cccc(OC2CCCC2)c1)[C@H]1Cc2ccccc2S1 58366859 VFWOFQCKVSASAM-LJQANCHMSA-N 339.460 4.664 0 40 EJAB Cc1ccc(O[C@H](C)C(=O)N[C@H](C)c2ccc(C)cc2C)c(C)c1 59351688 SEXBNJOFSPGIHL-QZTJIDSGSA-N 325.452 4.565 0 40 EJAB CC1=Nc2c(c(O)nn2C2CCCCCC2)[C@H](C(F)(F)F)S1 71288789 AMGQDDSTMWPADL-LLVKDONJSA-N 333.379 4.884 0 40 EJAB Cc1ccc(C)c(NC(=O)N2CCC(c3c[nH]c4ncccc34)CC2)c1 71911675 ULABNWKJPBUMAG-UHFFFAOYSA-N 348.450 4.591 0 40 EJAB O=C(OCc1ccccc1)N1CCCC[C@@H]1c1cccnc1Cl 72211527 CUPBINLEMJJNJS-MRXNPFEDSA-N 330.815 4.599 0 40 EJAB Cc1cc(C)c2c(CC(=O)Nc3cccc4cccnc34)coc2c1 72242852 URDXNVLLTNTNKL-UHFFFAOYSA-N 330.387 4.779 0 40 EJAB CC(C)c1cnc(CNc2ccccc2NC(=O)c2cccs2)o1 85275773 JRXJRFLRNLMVBD-UHFFFAOYSA-N 341.436 4.724 0 40 EJAB CN1/C(=C\C=C(/C#N)C(=O)c2ccsc2)C(C)(C)c2ccccc21 95953180 WFDIJQYXCBKWBT-FFXHMVKNSA-N 334.444 4.692 0 40 EJAB c1ccc(Cc2nc(CN[C@H](c3ccccc3)C3CCCC3)no2)cc1 95957584 UETFPEINFUYVSB-JOCHJYFZSA-N 347.462 4.682 0 40 EJAB CN(C(=S)Nc1ccc2nccnc2c1)c1ccc2ccccc2c1 107835905 RDRQSOIHKFRJJW-UHFFFAOYSA-N 344.443 4.616 0 40 EJAB CCCCOCc1cc(C(=O)Nc2ccccc2CC)ccc1OC 224435815 NQELTRZBPPGKJE-UHFFFAOYSA-N 341.451 4.827 0 40 EJAB CCc1ccc(CC)c(CNC(=O)CCSCc2ccccc2)c1 224959997 WRVVGSLYHSHQTO-UHFFFAOYSA-N 341.520 4.751 0 40 EJAB Cc1cccc(NC(=S)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)c1 225676832 ZQAXQFCWXVUADW-KRWDZBQOSA-N 340.492 4.892 0 40 EJAB CC(C)CCNC(=O)c1cccc(OCc2ccccc2Cl)c1 225777541 QFYJLGVMOXBXDT-UHFFFAOYSA-N 331.843 4.695 0 40 EJAB COc1ccc2ccccc2c1CN1CCC[C@H](c2nccs2)C1 513047063 PINANVRUTQRVTQ-INIZCTEOSA-N 338.476 4.685 0 40 EJAB CSc1ccc(-c2nc3ncccn3c2NC2CCCCC2)cc1 428787 RXRGYWUMMMYOQU-UHFFFAOYSA-N 338.480 4.863 0 40 EJAB CCNc1nc(Sc2cccc(Cl)c2)cc(C(F)(F)F)n1 1396715 STHCNBGHNYQYMI-UHFFFAOYSA-N 333.766 4.732 0 40 EJAB CCc1ccc(N2COc3ccc4c(C)c(CC)c(=O)oc4c3C2)cc1 2450805 BEZDNLRLMNQIFU-UHFFFAOYSA-N 349.430 4.583 0 40 EJAB CC(C)CCC[C@@H](C)NC[C@@H](O)COc1cc(Cl)ccc1Cl 3418379 ODGZLHOIZGXATR-UKRRQHHQSA-N 348.314 4.538 0 40 EJAB COc1cnc(-c2ccccc2)nc1Sc1ccc(Cl)cc1 4050367 OAEXYZFVVGNFAT-UHFFFAOYSA-N 328.824 4.957 0 40 EJAB CCOc1cc(C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1OC 4705230 GMGINRNIEGJCGB-UHFFFAOYSA-N 333.815 4.616 0 40 EJAB CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccccc2)N3)C1 5274708 FCPFDXUBFKRDPZ-DYVFJYSZSA-N 340.492 4.753 0 40 EJAB O=C(CCC(=O)c1cccs1)Nc1cccc(Cl)c1Cl 6453009 YCOIURYQVZQQKJ-UHFFFAOYSA-N 328.220 4.657 0 40 EJAB O=C(c1cccc(C(F)(F)F)c1)N1CCC(c2ccccc2)CC1 6864102 VSGWFGYBYNOLFP-UHFFFAOYSA-N 333.353 4.725 0 40 EJAB CC[C@@H](NC(=S)Nc1cc(C)ccc1C)c1ccc(OC)cc1 8085607 ISCFEGIWERFTDH-QGZVFWFLSA-N 328.481 4.750 0 40 EJAB CCOc1ccc(NC(=O)c2c(OCC)ccc3ccccc23)cc1 8382764 LMAIJHCEAPYNFX-UHFFFAOYSA-N 335.403 4.890 0 40 EJAB CCOc1cccc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c1 9817346 OFAOKGSSLPTNIM-HNNXBMFYSA-N 341.451 4.789 0 40 EJAB Cc1ccc([C@H](NC(=O)CSc2ccccc2)c2ccccc2)cc1 14576987 VQVUTPIPGSWUJI-JOCHJYFZSA-N 347.483 4.993 0 40 EJAB Cc1cc(C)c2cc(C(=O)OCC(=O)c3ccc(Cl)s3)[nH]c2c1 22017586 MPUYVRFBAIZPEH-UHFFFAOYSA-N 347.823 4.539 0 40 EJAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(F)cc(F)c1 28210842 COUNUBVYNKCIJJ-UHFFFAOYSA-N 335.659 4.889 0 40 EJAB Cc1nccn1-c1ccc(NC(=O)Nc2ccc(F)c(Cl)c2)cc1 28305308 RSMZHJUVSBGRQR-UHFFFAOYSA-N 344.777 4.617 0 40 EJAB C[C@@H](NC(=O)CCc1cccs1)c1ccc(Cl)c(Cl)c1 32892316 WYGPDMZMLWQJLS-SNVBAGLBSA-N 328.264 4.865 0 40 EJAB O=C(c1ccc(F)cc1)N1CCc2ccccc2[C@@H]1c1ccccc1 36626616 QRODJDFCELCHQC-NRFANRHFSA-N 331.390 4.614 0 40 EJAB C[C@H]1CCCCN1C(=O)c1ccc(-c2ccccc2Br)o1 41127325 ABDFPKFFBFHBGG-LBPRGKRZSA-N 348.240 4.724 0 40 EJAB CC(=O)c1c(C)cc(C)c(CSc2nnc(C(C)(C)C)o2)c1C 42569142 JRKCTQLZERFFDG-UHFFFAOYSA-N 332.469 4.787 0 40 EJAB Cc1cccc(NC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)c1C 57412064 ZKOACDPXGQIKQX-UHFFFAOYSA-N 325.799 4.599 0 40 EJAB O=C(Nc1ccccn1)N[C@@H](c1ccccc1)c1cc2ccccc2o1 58378148 SOSRNPZYXQNYNU-FQEVSTJZSA-N 343.386 4.739 0 40 EJAB Cc1nn(C(C)C)c(C)c1NC(=O)c1cccc(Cl)c1Cl 58994880 IFFMPJPKLCRMGQ-UHFFFAOYSA-N 326.227 4.640 0 40 EJAB Cc1ccc(-c2nc(C)c(C(=O)NC(C)(C)c3ccccc3)s2)o1 65402630 QXAPJUUWSZDLGD-UHFFFAOYSA-N 340.448 4.685 0 40 EJAB Cc1cc(N2CCCCC2)ncc1[C@@H]1CCCN1Cc1ccccc1 72219209 VFSXXYKZHIYWKT-NRFANRHFSA-N 335.495 4.717 0 40 EJAB Cc1noc(C)c1NC(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1 78996316 GDVRZUMNRUMTAL-UHFFFAOYSA-N 344.317 4.614 0 40 EJAB Cc1ccc(NC(=O)c2c(-c3ccc(Cl)cc3)noc2C)cc1 80345489 AGBGIADFZHSNFD-UHFFFAOYSA-N 326.783 4.864 0 40 EJAB CC(C)c1ccc([C@@H](C)NCc2noc(Cc3ccccc3)n2)cc1 95957521 ZUIHVBHSIUNQLF-MRXNPFEDSA-N 335.451 4.635 0 40 EJAB c1ccc(CCCN2CCC[C@@]23CCCN(Cc2ccccc2)C3)cc1 96214645 VTTLWTDQPJUEMZ-XMMPIXPASA-N 348.534 4.750 0 40 EJAB O=C(Nc1cccc2c1CCCC2)c1cc(C(F)(F)F)ccc1F 98073311 AILOLUFNPUSHBS-UHFFFAOYSA-N 337.316 4.976 0 40 EJAB Cc1ccc(OCC(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c(C(C)(C)C)c1 108883865 OWXUMEOFCLZJEU-XSLAGTTESA-N 343.511 4.612 0 40 EJAB Cc1ccc(C(C)C)c(OCC(=O)NC(C)(C)Cc2ccccc2)c1 225263487 HBYLFSIUIXQMPD-UHFFFAOYSA-N 339.479 4.635 0 40 EJAB CCc1ccc(NC(=S)NCCSCc2ccc(C)cc2)cc1 225292575 NNXUVMAWKHQMDZ-UHFFFAOYSA-N 344.549 4.777 0 40 EJAB CC[C@H](C)Oc1c(C)cc(NC(=O)C(Cl)(Cl)Cl)cc1C 225591437 GONGVAYAWNBKGK-JTQLQIEISA-N 338.662 4.789 0 40 EJAB Cc1ccccc1[C@@H](NC(=S)Nc1ccc(F)c(F)c1)C(C)C 225761220 TZMUZADYKYPTNQ-KRWDZBQOSA-N 334.435 4.957 0 40 EJAB O=C(/C=C/c1ccccc1)N[C@@H](c1ccsc1)c1cccs1 390827226 VEVZAOUGLAPHIK-BLGFXRMMSA-N 325.458 4.729 0 40 EJAB O=C(Oc1ccc2ccccc2c1)c1cc(F)c(Cl)nc1Cl 385093 XATCDTCDMYNHTJ-UHFFFAOYSA-N 336.149 4.900 0 40 EJAB CCOc1cccc2c(N[C@H](C)CCCN(CC)CC)c(C)cnc12 2042682 TXPFYPNVDMETIO-QGZVFWFLSA-N 343.515 4.864 0 40 EJAB COc1cc(NC(=O)c2cccc(Oc3ccccc3)c2)cc(OC)c1 2654864 UHILVSUPTWZWKF-UHFFFAOYSA-N 349.386 4.748 0 40 EJAB Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2ccco2)cc1 3655316 WODGLDFILFDPEA-UHFFFAOYSA-N 345.354 4.818 0 40 EJAB CCCCSc1nnc(NC(=O)c2ccc3ccccc3c2)s1 4079484 PQKZCFAWQGCTDQ-UHFFFAOYSA-N 343.477 4.836 0 40 EJAB Cc1ccc(C(=O)Nc2ccc(F)cc2C(=O)Cc2ccccc2)cc1 4761520 WKSKKWJYPPJWBB-UHFFFAOYSA-N 347.389 4.812 0 40 EJAB Cc1sc(NC(=O)C2CC2)c(-c2nc3ccccc3s2)c1C 5255668 FXEXSXYCYBLPFA-UHFFFAOYSA-N 328.462 4.990 0 40 EJAB Cc1ccc(SCC(=O)Nc2ccccc2C(F)(F)F)cc1 6477481 JTGPTIVRBHQOST-UHFFFAOYSA-N 325.355 4.745 0 40 EJAB CC1CCN(C(=O)c2ccc(OCc3ccccc3Cl)cc2)CC1 7700085 YIADKERGTISAEW-UHFFFAOYSA-N 343.854 4.791 0 40 EJAB Cc1cccn2cc(CNc3ccc(Cl)c(C(F)(F)F)c3)nc12 7990780 NVBGERMFFWRZCD-UHFFFAOYSA-N 339.748 4.927 0 40 EJAB Cc1nc(Nc2cccc(C(F)(F)F)c2)nc2c1C(=O)CC(C)(C)C2 10342436 NMIVAJCKUNRJSM-UHFFFAOYSA-N 349.356 4.703 0 40 EJAB Cc1ccc(C)c(NC(=O)c2cccc(OCc3cscn3)c2)c1 12755863 DGPQZQJIONYENM-UHFFFAOYSA-N 338.432 4.591 0 40 EJAB Cc1ccc(OCc2nc(C(=O)Nc3cccc(C)c3)cs2)cc1 12770343 XUMZIAQHUCRZIE-UHFFFAOYSA-N 338.432 4.591 0 40 EJAB CCCOc1cc(/C=C2/C(=O)Nc3ccc(Cl)cc32)ccc1OC 13113021 WYSFGDKDMVOOCK-OQLLNIDSSA-N 343.810 4.630 0 40 EJAB Cc1ccc(O)c(-c2cc(-c3cccc(Br)c3)[nH]n2)c1 13126647 WQTDODYARRWKNY-UHFFFAOYSA-N 329.197 4.520 0 40 EJAB CCCC(=O)NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12 25180161 JBIAXUKJWNFQHL-INIZCTEOSA-N 340.854 4.870 0 40 EJAB C[C@@H](Sc1cc(F)ccc1F)C(=O)Nc1cccc2ncccc12 26997008 CNOLANNRVPSENQ-LLVKDONJSA-N 344.386 4.632 0 40 EJAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1cccc(C(C)=O)c1 30750902 ALISVHVYGRCLFB-FQEVSTJZSA-N 347.414 4.839 0 40 EJAB O=C(CCOc1ccc(Cl)cc1)Nc1ccc(F)cc1Cl 40128490 URWWMAKQKMRYIF-UHFFFAOYSA-N 328.170 4.540 0 40 EJAB COc1ccccc1NC(=O)[C@H](C)SCc1ccc(Cl)s1 56231643 AGIRVYGJNRBIIW-JTQLQIEISA-N 341.885 4.671 0 40 EJAB O=C(Nc1ccc2ncccc2c1)c1cccnc1Oc1ccccc1 58356475 JFKJVUZJDUWROW-UHFFFAOYSA-N 341.370 4.674 0 40 EJAB O=C(COCc1ccccc1)c1ccc(OCc2ccccc2)cc1 80177425 FHSUOBRJNJLWDB-UHFFFAOYSA-N 332.399 4.665 0 40 EJAB Cc1c(N)cccc1-c1nc2cc(Cl)cc(Br)c2[nH]1 216919608 SLFSJMHNRURILD-UHFFFAOYSA-N 336.620 4.536 0 40 EJAB CC[C@@H](Oc1ccc(F)cc1)C(=O)N[C@H](CC)c1ccc(C)c(C)c1 219328111 MHMSYNNCYQEBOB-WOJBJXKFSA-N 343.442 4.867 0 40 EJAB COc1ccccc1C(=O)N[C@@H](C)c1cc(C(C)C)c(OC)cc1C 223272587 SADCLRBBUONDGK-HNNXBMFYSA-N 341.451 4.627 0 40 EJAB CCOc1ccc(C(=O)NCCSc2ccc(C)cc2)cc1Cl 225216753 HQRYDYQRNANXMY-UHFFFAOYSA-N 349.883 4.569 0 40 EJAB CO[C@@]1(C(=O)Nc2ccc(OCC(C)C)c(C)c2)CCC[C@H](C)C1 225637713 WVOYMJBLHVQXEW-YWZLYKJASA-N 333.472 4.564 0 40 EJAB Cc1cccc([C@@H](NC(=S)Nc2ncccc2C)c2ccccc2)c1 225701431 SOBLPSYWUHYNLI-IBGZPJMESA-N 347.487 4.774 0 40 EJAB CCn1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c2ccccc21 408808328 DZTBTXHLQRLJIB-PDGQHHTCSA-N 348.427 4.902 0 40 EJAB Cc1ccc(-c2csc(N(Cc3ccco3)C(=O)C3CC3)n2)cc1 932716 NHRDKTCKCBFZGJ-UHFFFAOYSA-N 338.432 4.655 0 40 EJAB O[C@@]1(c2ccccc2)C=C(c2ccccc2)C=C(c2ccccc2)O1 1669101 CDTMVTOBRQAEQZ-QHCPKHFHSA-N 326.395 4.987 0 40 EJAB C[C@@H](CN1CCCC1)[C@@](O)(Cc1ccccc1)c1ccc(Cl)cc1 1698659 MEHPGVGVBWKTJB-UWJYYQICSA-N 343.898 4.502 0 40 EJAB COc1cc(OC/C=C(\C)CCC=C(C)C)c2ccc(=O)oc2c1 2558139 WXUOSNJWDJOHGW-XNTDXEJSSA-N 328.408 4.873 0 40 EJAB endogenous,in-man CCCCC[C@H](C)NC(=O)CCCOc1ccc(Cl)cc1C 2740700 OWJJKVRAKVNFOQ-HNNXBMFYSA-N 325.880 4.892 0 40 EJAB O[C@@]12c3ccccc3[C@]1(c1ccc(Cl)cc1)c1ccc(Cl)cc12 5699180 NUAOHEWMGXLJDG-WOJBJXKFSA-N 339.221 4.891 0 40 EJAB CCOc1ccccc1C(=O)OCc1ccc(Cl)c(Cl)c1 6078522 CDJOJNIDERDCLX-UHFFFAOYSA-N 325.191 4.749 0 40 EJAB CCOc1ccc([C@@](C)(CC)c2cc3c(cc2OC)OCO3)cc1 6371534 KLURAQCHGKNDDT-HXUWFJFHSA-N 328.408 4.539 0 40 EJAB CC(C)[C@@H](NC(=O)c1cccc(Br)c1)c1cccs1 7078095 PUAYICTYSASDGU-CQSZACIVSA-N 338.270 4.638 0 40 EJAB CCOc1cc(CN[C@@H](C)c2ccccc2)cc(Cl)c1OCC 8253907 ZWBDYLSWLSABAT-AWEZNQCLSA-N 333.859 4.988 0 40 EJAB Cc1cc(C(=O)N2CCC[C@@H](c3cc4ccccc4cn3)C2)cs1 12188150 CRKOXEWDJSRIDX-QGZVFWFLSA-N 336.460 4.625 0 40 EJAB CCc1ccc(NCc2cc3cc(C)c(Cl)cc3[nH]c2=O)cc1 12493113 OYAPXSDUWUBMAL-UHFFFAOYSA-N 326.827 4.664 0 40 EJAB CC(C)=C[C@@H]1[C@@H](C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)C1(C)C 15022287 ITSBNEWNJSOISB-KLVZQQORSA-N 329.528 4.946 0 40 EJAB COc1ccc(N(c2ccccc2)c2ccc(C(=O)O)s2)cc1 16216882 NAOSPVBZXMTQSA-UHFFFAOYSA-N 325.389 4.925 0 40 EJAB CSc1ccc(CN(C)C(=O)C23CC4CC(CC(C4)C2)C3)cc1 17972206 LRIBYSLVHNWQRB-UHFFFAOYSA-N 329.509 4.583 0 40 EJAB S=C(NCCSCc1ccccc1)Nc1ccccc1Cl 18162773 LCNOJNGBOLEUIP-UHFFFAOYSA-N 336.913 4.560 0 40 EJAB Cc1ccc([C@@H](Cc2ccsc2)NCc2ccc(F)cc2)nc1 19215487 UODDAVXCZRSZFP-LJQANCHMSA-N 326.440 4.664 0 40 EJAB C=Cn1cc(CN(CCc2ccccc2)Cc2cccs2)c(C)n1 19584124 IOUCARMIDMEMCP-UHFFFAOYSA-N 337.492 4.598 0 40 EJAB Cc1[nH]c2ccc(C(=O)NCc3ccccc3C(F)(F)F)cc2c1C 27983415 FAXVYOQGSDGPKQ-UHFFFAOYSA-N 346.352 4.734 0 40 EJAB CCOP(=O)(OCC)[C@H](NCc1ccccc1)c1ccccc1 28629408 BQSCXYUJYYPMDN-SFHVURJKSA-N 333.368 4.741 0 40 EJAB CN(Cc1ccco1)[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 34889809 LBEDLKJHVOGPFV-NRFANRHFSA-N 344.414 4.817 0 40 EJAB Cc1ccc(Nc2nnc(SC[C@@H]3CCCO3)s2)cc1Cl 40009970 YZAHOHRUJJVKEC-NSHDSACASA-N 341.889 4.515 0 40 EJAB C[C@H](NC(=O)CCCOc1ccc(Cl)cc1)c1ccc(F)cc1 44903149 TYPOXKUXSXWIFW-ZDUSSCGKSA-N 335.806 4.516 0 40 EJAB O=C(CCc1ccc(Cl)cc1)Nc1cccc(-c2cnco2)c1 48204871 TVFTXOXXSYJSHC-UHFFFAOYSA-N 326.783 4.566 0 40 EJAB C[C@@H](NCC(=O)N(C1CCCCC1)C1CCCCC1)c1ccccc1 58447283 OQLDJJSYOMHANO-GOSISDBHSA-N 342.527 4.831 0 40 EJAB CSc1ccc(C)c(C(=O)Nc2ccc(NC(C)=O)cc2Cl)c1 67943734 FXMZCYPHMVSJQZ-UHFFFAOYSA-N 348.855 4.581 0 40 EJAB C[C@@H]1CCCC[C@H]1OCc1nc2ccc(-c3ccccc3)cc2c(=O)[nH]1 72051952 JGVIGPQZUQUVSB-FOIQADDNSA-N 348.446 4.685 0 40 EJAB CC[C@H](COc1cccc(C)c1)NC(=O)c1ccc(C(C)(C)C)cc1 80344811 JPPAOZCTZLTMBD-LJQANCHMSA-N 339.479 4.880 0 40 EJAB O=C(Nc1ccccc1)c1csc(Oc2cccc(Cl)c2)n1 91695804 MIJXHMXPMYVYKZ-UHFFFAOYSA-N 330.796 4.841 0 40 EJAB C[C@H](N[C@@H](CO)c1ccc(Cl)c(F)c1)c1ccc(Cl)cc1 92769332 IAUZZTXZEUXUMU-QFYYESIMSA-N 328.214 4.517 0 40 EJAB COc1ccc(CNc2cc(NC(C)=O)ccc2Cl)cc1Cl 95448513 QJEJBMGMMHWOAV-UHFFFAOYSA-N 339.222 4.573 0 40 EJAB CCOc1c(Cl)cc(C(=S)N2CCC(C)CC2)cc1Cl 107849140 ROBFKFZQHSVOOF-UHFFFAOYSA-N 332.296 4.800 0 40 EJAB C[C@@H](Cc1cccc2ccccc12)C(=O)NC[C@H](C)c1ccccc1 224941913 INSLMHDZGNANRG-ROUUACIJSA-N 331.459 4.938 0 40 EJAB CC[C@@H](NC(=O)c1cc(C)c(C)cc1C)c1ccc(OC)c(OC)c1 225650965 AMRXOBGUVLWJIY-GOSISDBHSA-N 341.451 4.510 0 40 EJAB CCCO[C@](C)(C(=O)Nc1cc(C)c(OC(C)C)c(C)c1)C1CC1 225674140 PZUDXYCGGLXRIU-FQEVSTJZSA-N 333.472 4.624 0 40 EJAB CCC(CC)NC(=S)Nc1ccc(Br)c(Cl)c1 225801064 KTDLZSDTKWLNBQ-UHFFFAOYSA-N 335.698 4.578 0 40 EJAB CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC)c2ncccc12 225897056 VRENOIXYCQLVLL-FQEVSTJZSA-N 344.455 4.557 0 40 EJAB COC(=O)c1ccc(-c2cc(Cl)c(Br)cc2Cl)o1 226244366 ACWWRIFXKOZEPL-UHFFFAOYSA-N 349.995 4.803 0 40 EJAB C[C@@H]1CCCCN1c1ccc(N)cc1NC(=O)c1ccccc1Cl 226254603 FTVMEYGPWDEDFS-CYBMUJFWSA-N 343.858 4.553 0 40 EJAB CCC[n+]1cc(Br)cc(-c2nc3c(C)cccc3s2)c1 226776858 JOLUSYSWYLKZTL-UHFFFAOYSA-N 348.289 4.732 0 40 EJAB Cc1cc(=O)n([C@@H](C)Cc2ccccc2)n1[C@@H](C)Cc1ccccc1 1710581 WSNZBSJULJWCGD-ROUUACIJSA-N 334.463 4.566 0 40 EJAB Fc1ccc(CNCC[C@H](c2ccc(F)cc2)c2ccco2)cc1 2374465 VTSIWKOGAUPEGJ-LJQANCHMSA-N 327.374 4.870 0 40 EJAB CCOc1ccc2cc(C(=O)c3ccc(OC(F)F)cc3)oc2c1 3429668 GPOIZMGAWIFGDI-UHFFFAOYSA-N 332.302 4.664 0 40 EJAB Cc1cc(C(=O)CSc2nc3ccccc3o2)c(C)n1C1CC1 3503831 POKLZMQOHOBZQR-UHFFFAOYSA-N 326.421 4.556 0 40 EJAB CC(=O)[C@H]1[C@H](C)C[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 4073875 XXSFRYVGIQYVIQ-CSDDPEKQSA-N 330.512 4.761 0 40 EJAB biogenic Clc1ccc(/C=C/c2nn3c(-c4cccs4)nnc3s2)cc1 4770880 SLNPPQXRKABWLU-VMPITWQZSA-N 344.852 4.738 0 40 EJAB COc1cc2c(cc1OC)-c1nc(Nc3ccccc3)sc1CC2 4774192 NWADDUHDGJJIIM-UHFFFAOYSA-N 338.432 4.670 0 40 EJAB O=C(CSc1cc(Cl)ccc1Cl)Nc1ccccc1F 4950327 FRSKFMNRTGCQIY-UHFFFAOYSA-N 330.211 4.863 0 40 EJAB OC1=NC(=S)S/C1=C/c1ccccc1OCc1ccc(F)cc1 5771221 NIHAYTXBCALHHY-OQLLNIDSSA-N 345.420 4.734 0 40 EJAB O=C(c1ccccc1)N1N=C(c2cccs2)C[C@@H]1c1ccccc1 6242114 ILGUATBDSGMLHJ-GOSISDBHSA-N 332.428 4.740 0 40 EJAB Cc1cc(CSc2nnc(-c3ccccc3)c3ccccc23)no1 7779488 RBBARFIQYXOTRR-UHFFFAOYSA-N 333.416 4.886 0 40 EJAB CCc1ccc2oc(-c3ccc(C)c(NC(=O)C(F)(F)F)c3)nc2c1 8053986 ZUMDVGZNWNTNOL-UHFFFAOYSA-N 348.324 4.866 0 40 EJAB Cc1cccc(-c2nnc(NC(=O)Nc3ccc(Cl)cc3)s2)c1 8914824 APTSFUFOOMLGOU-UHFFFAOYSA-N 344.827 4.811 0 40 EJAB Clc1ccc(-c2noc(-c3cc(-c4cccs4)[nH]n3)n2)cc1 9002120 LHOVQFTWIFGOGI-UHFFFAOYSA-N 328.784 4.509 0 40 EJAB CCCCN[C@@H]1c2ccccc2C(=O)N1[C@H](C)CCc1ccccc1 9659354 BAEHIFDGFKNAKZ-UTKZUKDTSA-N 336.479 4.552 0 40 EJAB Cc1nnc(SCc2cc3c(cc2Cl)OCO3)c2ccccc12 12176534 XROYOOARSTZEHG-UHFFFAOYSA-N 344.823 4.613 0 40 EJAB CSc1ccccc1NC(=O)[C@@H](C)Oc1cccc2ccccc12 13709344 LQBWYKWWWBOBGF-CQSZACIVSA-N 337.444 4.968 0 40 EJAB Cc1onc(-c2ccccc2)c1C(=O)Nc1cccc2c1CCCC2 14075335 ZKVDDVUTWMXUCL-UHFFFAOYSA-N 332.403 4.781 0 40 EJAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](c1ccccc1)N1CCCCC1 14163201 WPGVZYFVIIEJQI-OAQYLSRUSA-N 332.447 4.886 0 40 EJAB CSc1ccc(C(=O)NCc2ccc(-c3ccc(F)cc3)o2)cc1 25598344 LZGTUZZXEVSOAZ-UHFFFAOYSA-N 341.407 4.738 0 40 EJAB Cn1c(NC(=O)Nc2cccc(Cl)c2Cl)nc2ccccc21 27923895 UQCJUWNHWORNFW-UHFFFAOYSA-N 335.194 4.524 0 40 EJAB O=C(Nc1ccc2cc[nH]c2c1)c1cc(-n2cccc2)ccc1Cl 32072796 MXNHQLRQZQETMT-UHFFFAOYSA-N 335.794 4.864 0 40 EJAB Cn1cccc1[C@@H]1CCCCCN1C(=O)c1ccc(F)cc1Cl 32903502 NYXPJWBYIURYPC-KRWDZBQOSA-N 334.822 4.575 0 40 EJAB COc1ccc2c(c1)C[C@H](C)C1=C2CC[C@]2(C)C1=CC[C@@H]2OC(C)=O 37613789 VNZLWPUSAJFFMR-DLQQFWPKSA-N 338.447 4.703 0 40 EJAB Cc1cc(C)cc(CNCc2cccnc2Oc2cccc(F)c2)c1 65890923 GPNLDQAHLZEBFF-UHFFFAOYSA-N 336.410 4.920 0 40 EJAB CC(C)n1ncc2c1N=C(O)C[C@@H]2c1cc(C(F)(F)F)ccc1F 71281184 SXAFBGXKZDLWIO-SNVBAGLBSA-N 341.308 4.746 0 40 EJAB CCOc1cc(CNc2ccc(F)c(Cl)c2)cc(Cl)c1O 76275241 NOFBWKWWYIVLTQ-UHFFFAOYSA-N 330.186 4.849 0 40 EJAB CCc1ccc([C@@H](C)NC(=O)[C@H](CC)Oc2ccc(C)c(C)c2)cc1 78458397 SMYARNVJRKAJDF-UTKZUKDTSA-N 339.479 4.901 0 40 EJAB CC(C)=C[C@H]1[C@@H](C(=O)OCc2ncc(-c3ccccc3)o2)C1(C)C 89914112 NGISNRZQKUCZRE-YJBOKZPZSA-N 325.408 4.623 0 40 EJAB CN1CCC(NCCC2(Cc3ccc(Cl)cc3)CCCCC2)CC1 96536565 PZLDDSDTJZRTFT-UHFFFAOYSA-N 348.962 4.907 0 40 EJAB O=C(c1ccccc1Cl)N1CCS[C@@H](c2ccccc2)CC1 211141241 UUNSDZGGCKQFAA-QGZVFWFLSA-N 331.868 4.660 0 40 EJAB Cc1cc(C(=O)O)cc(C)c1OC(=O)c1ccc(C(C)(C)C)cc1 216726527 QIHUMIXIOPMPRF-UHFFFAOYSA-N 326.392 4.518 0 40 EJAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(Cl)cc3)N21 222643611 XDIUTCKQOBTTTB-USXIJHARSA-N 343.883 4.714 0 40 EJAB Cc1cccc(CSCCNC(=O)CCc2ccc(Cl)cc2)c1 225303198 LICZYTDTFNSHSY-UHFFFAOYSA-N 347.911 4.631 0 40 EJAB CCCSc1nnc(NC(=S)Nc2ccc(Cl)cc2)s1 225466844 XEBBRMDLQNZJQS-UHFFFAOYSA-N 344.918 4.503 0 40 EJAB Cc1ncc(-c2cc(F)c(O)c(F)c2)cc1-c1cc(F)c(O)c(F)c1 1857535134 PMRGRXLXKYUDIH-UHFFFAOYSA-N 349.283 4.692 0 40 EJAB Cc1ccc(NC(=O)N(C2=NC[C@@H](C)S2)c2cccc(C)c2)cc1 497069 BPPNJBBMEMJFRU-OAHLLOKOSA-N 339.464 4.833 0 40 EJAB COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)CCC1CCCC1 535199 YUPUWXIDCQUFKX-UHFFFAOYSA-N 348.830 4.517 0 40 EJAB CN(C)CCC/N=c1\cc(-c2ccccc2)oc2ccc(Cl)cc12 1892067 AXNJKVXDLMYBNG-RELWKKBWSA-N 340.854 4.606 0 40 EJAB CCCSc1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1 2285369 VKXXLUIDGQAJIM-UHFFFAOYSA-N 348.280 4.599 0 40 EJAB Fc1ccc(CSc2nnc(-c3cccs3)o2)c(Cl)c1 2622635 ZMFUCOAIRJFPCT-UHFFFAOYSA-N 326.805 4.883 0 40 EJAB Cc1ccc([C@@H]2C[C@H](c3cccc4ccccc34)n3ncnc3N2)cc1 2797223 ASAXKNVZXXCIFJ-LEWJYISDSA-N 340.430 4.886 0 40 EJAB Cc1cc(F)ccc1NC(=O)c1ccc(C(=O)c2ccccc2)cc1 3333481 NYLVYBRGLNKXAQ-UHFFFAOYSA-N 333.362 4.617 0 40 EJAB O=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1cccc(Cl)c1 4688531 NQPOTUGEBCWUDT-UHFFFAOYSA-N 335.234 4.846 0 40 EJAB CCCCC(=O)N(CC(C)C)c1nnc(-c2ccc(F)cc2)s1 4880453 NHXJQVUMDHGTCH-UHFFFAOYSA-N 335.448 4.523 0 40 EJAB CCCC(=O)N(Cc1ccccc1)c1nc2ccc(F)cc2s1 5299728 XQDKAJKCDKWBND-UHFFFAOYSA-N 328.412 4.769 0 40 EJAB CCCCOc1ccc(NC(=O)c2ccc(Br)cc2)cc1 5951658 CRVXMOXIOQEKQA-UHFFFAOYSA-N 348.240 4.880 0 40 EJAB CCCCCC(=O)Nc1cccc(NC(=O)c2cccnc2Cl)c1 6273232 PEDPUIVPHYCBDP-UHFFFAOYSA-N 345.830 4.506 0 40 EJAB O=C(Nc1nc(-c2ccccn2)cs1)C1(c2ccccc2)CCCC1 6508336 XXFVPCPLBHGIAU-UHFFFAOYSA-N 349.459 4.656 0 40 EJAB COc1ccc(-c2nc(NC(=O)c3cc(C)oc3C)sc2C)cc1 7670658 FTZWWVGGVGFOJQ-UHFFFAOYSA-N 342.420 4.589 0 40 EJAB C[C@H](NC(=O)c1ccc2ncsc2c1)c1cccc2ccccc12 8342135 WFIGIFNZFRZOQZ-ZDUSSCGKSA-N 332.428 4.941 0 40 EJAB Cc1ccc(C(=O)CN(C2=NCCCCC2)c2ccccc2)c(C)c1 8410422 ZBFPKJQGKJDUGB-UHFFFAOYSA-N 334.463 4.965 0 40 EJAB c1ccc(-c2ccc(CSc3nnc4n3CCCCC4)cc2)cc1 8427850 ARUPNDGIZJGFLS-UHFFFAOYSA-N 335.476 4.964 0 40 EJAB Cc1ccc(CN(C)C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)cc1 9758083 OMVIBPNNDMJAND-LJQANCHMSA-N 342.870 4.941 0 40 EJAB COc1ccccc1[C@H](C)NC(=O)N[C@H](C)c1cc2ccccc2o1 10275110 QVVLXKDZMQBKNR-UONOGXRCSA-N 338.407 4.563 0 40 EJAB COc1ccc2cc(CNC(=O)N[C@@H](C)c3ccccc3C)ccc2c1 10279550 IXHLJBWRHQQZIL-INIZCTEOSA-N 348.446 4.717 0 40 EJAB COc1cc(CNC(C)C)cc(Cl)c1OCc1ccc(F)cc1 10436009 PQKGRXKKBZOKDH-UHFFFAOYSA-N 337.822 4.565 0 40 EJAB c1csc(-c2cc([C@@H]3CCCCCN3Cc3ccncc3)no2)c1 12143926 QDSVIUMENUCLQG-KRWDZBQOSA-N 339.464 4.915 0 40 EJAB C[C@@H](NC(=O)C1(c2ccc(Cl)cc2)CC1)c1cc2ccccc2o1 12980980 PQMFCOXVTGUITB-CYBMUJFWSA-N 339.822 4.995 0 40 EJAB CC(C)(C)CC(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 12981993 DNVVKQMOUDBYKN-UHFFFAOYSA-N 325.412 4.705 0 40 EJAB O=C(/C=C/c1cccs1)N[C@@H]1CCSc2ccc(Cl)cc21 16298600 ANJFYPNRUAGZOO-YVARQFDVSA-N 335.881 4.768 0 40 EJAB Cc1cc2oc(-c3ccccc3)c/c(=N\[C@@H](C(=O)O)C(C)C)c2cc1C 19794076 OCLWLBCRVVJIEH-MFTRDONSSA-N 349.430 4.727 0 40 EJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)c1ccc(F)cc1 20038646 NENOTJAKBDUDPM-YVEFUNNKSA-N 335.806 4.514 0 40 EJAB Cc1c(NC(=O)c2sc3ccccc3c2Cl)cccc1C(=O)O 20139491 VALPMMQRLXVHAF-UHFFFAOYSA-N 345.807 4.814 0 40 EJAB O=C(CCc1ccco1)N[C@@H](c1ccccc1)c1cc2ccccc2o1 36625859 XBXYAVTVKXONKV-QFIPXVFZSA-N 345.398 4.864 0 40 EJAB CC(=O)c1cccc(NC(=O)c2c[nH]cc2-c2ccc(Cl)s2)c1 54675299 OHJOVWPBXZQOFH-UHFFFAOYSA-N 344.823 4.852 0 40 EJAB CC[C@H](Oc1ccccc1C)C(=O)N[C@@H](C)c1ccc(C)c(C)c1 59351294 FTBYXNFNAFDGIA-HKUYNNGSSA-N 325.452 4.647 0 40 EJAB Cc1ccc(-c2nnc([C@H]3CCCN3CC3CCCCC3)o2)s1 60016742 SOLCJGSERISRDY-OAHLLOKOSA-N 331.485 4.824 0 40 EJAB CCCn1c(SCc2ccc(C)c(C)c2)nc2ccccc2c1=O 67258665 YJMBFMDIVAUJON-UHFFFAOYSA-N 338.476 4.716 0 40 EJAB CCn1c(SCc2ccc3ccccc3c2)nnc1-c1ccncc1 71234704 BIEBINLTGXXXTL-UHFFFAOYSA-N 346.459 4.806 0 40 EJAB CC(C)(C)OC(=O)N1CCC[C@@H]1c1ccc(NC2CCCC2)nc1 72213955 YORDRHPKWMPDCG-MRXNPFEDSA-N 331.460 4.508 0 40 EJAB Cc1ccc(CCC(=O)NCCCc2ccc(Cl)cc2)cc1C 224231296 XMGOCWVJPIJCMS-UHFFFAOYSA-N 329.871 4.638 0 40 EJAB CC(C)NC(=O)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 224957762 GRBSAPRTOUFNTC-UHFFFAOYSA-N 340.810 4.800 0 40 EJAB CCOc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(N)c1 226347306 CBPUJUWRUXVHDP-UHFFFAOYSA-N 346.839 4.788 0 40 EJAB CC[C@H](C)Oc1ccc(NC(=O)[C@@]2(OC)CCC[C@H](C)C2)cc1C 260816939 SLENYYWZSNJQRK-DKICVRJWSA-N 333.472 4.706 0 40 EJAB O=C(CSCc1ccccc1)NCc1ccc(-c2cccs2)o1 575609223 SIDYVSJBSUYAOD-UHFFFAOYSA-N 343.473 4.558 0 40 EJAB CC[C@@H](C(=O)NCc1cc(-c2ccco2)cs1)c1ccccc1 1775968386 FEXZPTMOGXEDFO-QGZVFWFLSA-N 325.433 4.818 0 40 EJAB CC(=O)Nc1ccc(NC(=O)/C=C/c2c(Cl)cccc2Cl)cc1 147143 DUQUOPADWGLGQK-MDZDMXLPSA-N 349.217 4.604 0 40 EJAB Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)C(C)(C)C)cc1 3655322 PNFDERKHNWEVAT-UHFFFAOYSA-N 335.403 4.957 0 40 EJAB Cc1ccc(SCC(=O)Nc2ccc3c4c(cccc24)CC3)cc1 4496475 RRNJLJIHJYHQSA-UHFFFAOYSA-N 333.456 4.978 0 40 EJAB COc1cccc(-c2cn3cc(-c4ccc(Cl)cc4)n(C)c3n2)c1 4678582 BJUHUOAJEOYFJF-UHFFFAOYSA-N 337.810 4.669 0 40 EJAB CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccccc2)N3)C1 5274709 FCPFDXUBFKRDPZ-GUYCJALGSA-N 340.492 4.753 0 40 EJAB Cc1ccc(C)c(NC(=O)COc2ccc3c(c2)[nH]c2ccccc23)c1 5498164 OLJMSAGKLKFQCY-UHFFFAOYSA-N 344.414 4.955 0 40 EJAB O=C(Nc1ccc(F)c(Cl)c1)c1occc1COc1ccccc1 10490992 FCKOAMOSOXWUTF-UHFFFAOYSA-N 345.757 4.903 0 40 EJAB CCOc1ccccc1NC(=O)CCc1ccc(-c2ccccc2)o1 11689907 FURKZTVPHLEKQQ-UHFFFAOYSA-N 335.403 4.917 0 40 EJAB C[C@H](Nc1ncnc2ccsc12)c1nc2ccccc2n1C(F)F 12534971 NMXFBDNTXYNQHL-VIFPVBQESA-N 345.378 4.609 0 40 EJAB Cc1ccc(N2C(=O)N([C@H](C)c3ccccc3Cl)C(=O)[C@@H]2C)cc1 12598928 QJPZXIPWDTXSSX-KGLIPLIRSA-N 342.826 4.567 0 40 EJAB C[C@@H](NC(=O)C1c2ccccc2Oc2ccccc21)c1ccccc1F 12786223 TUJYQAWYPVYONE-CQSZACIVSA-N 347.389 4.941 0 40 EJAB Cc1cccc(O[C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)c1C 20451673 ZVAYQMUZWWNXEB-CYBMUJFWSA-N 337.341 4.728 0 40 EJAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N[C@H](C)c1cc(C)ccc1C 20485677 SCUDJCRMKMYVSK-UYAOXDASSA-N 339.479 4.955 0 40 EJAB CCn1c(SCc2ccccc2)nnc1[C@@H](C)Oc1ccccc1 32604436 MYPYPJRJICIALW-OAHLLOKOSA-N 339.464 4.730 0 40 EJAB Cc1cc2c(cc1C(=O)Nc1cccc3ccccc13)OCCCO2 46077753 RUBRJNIDRZTKDB-UHFFFAOYSA-N 333.387 4.562 0 40 EJAB Cc1cc(C(=O)N(C)c2nccs2)sc1-c1ccc(F)cc1 69582271 QHXOFQMVVSDXPT-UHFFFAOYSA-N 332.425 4.596 0 40 EJAB CN(C(=O)c1ccc(Cl)cc1Cl)c1ccc2ccccc2n1 72288053 DPTXETSSIKLLPV-UHFFFAOYSA-N 331.202 4.818 0 40 EJAB Cc1cccc(C2(CNC(=O)[C@H]3C[C@@H]3c3cccnc3)CCCCC2)c1 84210683 POUOZMVNVPUUIS-RTWAWAEBSA-N 348.490 4.512 0 40 EJAB CCCN1CCC(Nc2cc(C(F)(F)F)nc3ccccc23)CC1 89959039 PQTNIVVBDVNYOF-UHFFFAOYSA-N 337.389 4.540 0 40 EJAB COC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1)N2 100294132 RTXPMZKUZAJFAX-GAMLAWPCSA-N 333.431 4.770 0 40 EJAB Cc1noc2c1[C@@H](C(C)C)C1=C(O)C[C@H](c3ccc(O)cc3)CC1=N2 102744155 ZSELBJCXALPKGL-CXAGYDPISA-N 338.407 4.904 0 40 EJAB Cc1cc(C)c2[nH]c(-c3ccc(N(C)C)c(Br)c3)nc2c1 216879888 DLABZFPXLWNLDI-UHFFFAOYSA-N 344.256 4.675 0 40 EJAB CC(C)C[C@H](NC(=O)c1ccccc1OC(C)C)c1ccccc1 219743037 KCDGNMRVNJIZCP-IBGZPJMESA-N 325.452 4.991 0 40 EJAB CC[C@@H](Oc1ccccc1)C(=O)NCCCc1ccc(C(C)C)cc1 222869855 WHSAHBLJXPDKMS-OAQYLSRUSA-N 339.479 4.716 0 40 EJAB CC1=CC(C)(C)N(C(=O)C(C)(C)Br)c2c(C)cccc21 223237362 DHMLXEJALMNYOS-UHFFFAOYSA-N 336.273 4.697 0 40 EJAB Cc1ccccc1C(=O)Nc1cccc(-c2ccc(C(=O)O)o2)c1C 226355880 MNWXKMYFHZARCQ-UHFFFAOYSA-N 335.359 4.514 0 40 EJAB CCc1ccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1 409140161 FHMCNEKFBMCIME-SFQUDFHCSA-N 329.465 4.866 0 40 EJAB c1ccc(-c2nc(NCC[C@H]3CCCCO3)c3ccccc3n2)cc1 1655311624 XZVDWTALXVCSBS-QGZVFWFLSA-N 333.435 4.668 0 40 EJAB CCOC(=O)c1cc(C)c(-c2ccc(Br)cc2)s1 339006 BKQPLQBEMPXJKZ-UHFFFAOYSA-N 325.227 4.663 0 40 EJAB CCCCC(=O)Nc1cc(C(=O)NC2CCCCC2)ccc1Cl 2073559 KIQYUCSTUHGEBD-UHFFFAOYSA-N 336.863 4.531 0 40 EJAB COc1cccc(-c2nc(Oc3ccccc3)c3ccccc3n2)c1O 2238485 BIIQSTIETGXTSV-UHFFFAOYSA-N 344.370 4.803 0 40 EJAB O=C(/C=C/c1cccc(Cl)c1)OCc1nc2ccccc2s1 2642157 MAWZAPRTYZLMRU-CMDGGOBGSA-N 329.808 4.706 0 40 EJAB C[C@@H](Oc1ccc(Cl)cc1)c1ccnn1C(=O)Nc1ccccc1 3017463 LOKWBQKIAJEWGQ-CYBMUJFWSA-N 341.798 4.757 0 40 EJAB CC[C@H](O)c1nc2ccccc2n1Cc1c(Cl)cccc1Cl 4386173 IEIQOLXJXCSCEL-INIZCTEOSA-N 335.234 4.835 0 40 EJAB CC(=O)O[C@H](C(=O)N(c1ccccc1)c1ccccc1)c1ccccc1 5432038 XOBBVCGDORYQQZ-NRFANRHFSA-N 345.398 4.656 0 40 EJAB CCc1cccc(CC)c1NC(=O)COc1cccc2ccccc12 6010813 OGBRMKUMIVKBSR-UHFFFAOYSA-N 333.431 4.982 0 40 EJAB Cc1ccc(/C=C/C(=O)Nc2ccc(Br)cc2F)cc1 6272619 JRACKQOULJYPGD-RMKNXTFCSA-N 334.188 4.549 0 40 EJAB Cc1cc(C)c(-c2csc(NC(=O)Cc3ccccc3)n2)c(C)c1 6790631 CUXYLEXKVRILJI-UHFFFAOYSA-N 336.460 4.917 0 40 EJAB CN(Cc1ccc(Cl)cc1)C(=S)Nc1ccc(Cl)cc1 7676730 BYIHDJILQUYGIR-UHFFFAOYSA-N 325.264 4.822 0 40 EJAB COc1ccc(-c2csc(-c3ccccn3)n2)cc1Br 7845307 RMLXJZJBFCTLTR-UHFFFAOYSA-N 347.237 4.643 0 40 EJAB COc1ccccc1NC(=O)[C@@H](C)Oc1ccc(-c2ccccc2)cc1 8562823 CQCXTBWZLFPUFH-MRXNPFEDSA-N 347.414 4.768 0 40 EJAB CCCCc1ccc(NC(=S)NC(=O)c2ccc(CC)cc2)cc1 9064145 MAMUUQJXESFADG-UHFFFAOYSA-N 340.492 4.718 0 40 EJAB CCCCCCOc1ccc(C(=O)Nc2onc3c2CCCC3)cc1 11914187 FRIFQBAMBQBJSV-UHFFFAOYSA-N 342.439 4.765 0 40 EJAB CCCc1noc([C@@H](C)Sc2nc(C3CC3)nc3ccccc23)n1 13013601 XBEUEFUSIKPDFH-LLVKDONJSA-N 340.452 4.696 0 40 EJAB CCOc1ccc([C@H](C)NC(=S)Nc2ccccc2)cc1OCC 16317260 WUXCMMCERRZRGC-AWEZNQCLSA-N 344.480 4.532 0 40 EJAB Cc1c(Cl)cccc1NC(=O)C[C@@H]1Sc2ccccc2N=C1O 16956874 INZRHQMESLKTEV-HNNXBMFYSA-N 346.839 4.740 0 40 EJAB in-vitro O=C(NC12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2)c1ccccc1 18045503 VUNHAQSVERCVGU-WVKNIADZSA-N 331.459 4.707 0 40 EJAB C[C@@H]1CCCN(Cc2ccc(C(=O)NC3CCCCCCC3)cc2)C1 22515895 LTEDLJRNZRHUFH-GOSISDBHSA-N 342.527 4.761 0 40 EJAB C[C@H]1C[C@H](C)CN(C(=O)c2ccc3noc(-c4ccccc4)c3c2)C1 39979721 XDUXWZWVCSZXDO-GJZGRUSLSA-N 334.419 4.613 0 40 EJAB CN(Cc1ccc(O)cc1)C(=O)c1sc2ccccc2c1Cl 41686488 JOXDECNLSNLLCI-UHFFFAOYSA-N 331.824 4.533 0 40 EJAB CCC(C)(C)c1ccc(OC[C@@H]2CCCNC2)c(Br)c1 42775259 NIBNPWHRFWXKII-CYBMUJFWSA-N 340.305 4.515 0 40 EJAB COc1ccc2c(-c3ccccc3)c(C(=O)Nc3ccncc3)oc2c1 55157872 IQACHHNQHRYYJJ-UHFFFAOYSA-N 344.370 4.756 0 40 EJAB CCCCc1nc(-c2ccc(OCc3ccnc(Cl)c3)cc2)no1 60299390 IAGZFSVWQHBYDC-UHFFFAOYSA-N 343.814 4.707 0 40 EJAB COc1ccc(-c2cnc(CNc3ccccc3OC(F)F)o2)cc1 72910979 VPPCOCBSTKGBNH-UHFFFAOYSA-N 346.333 4.564 0 40 EJAB O=C(c1c(F)cccc1Cl)N(Cc1ccoc1)Cc1cccs1 90612138 WQABOHNSRDXJHO-UHFFFAOYSA-N 349.814 4.976 0 40 EJAB O=C(c1ccc(F)c(F)c1)N(CCc1cccs1)Cc1ccoc1 90612312 QGABWMYGCCJJAE-UHFFFAOYSA-N 347.386 4.504 0 40 EJAB COCCCSc1ccc(NC(=O)N(C)[C@@H](C)c2ccco2)cc1 95396256 LOJFBUSEQLABNA-AWEZNQCLSA-N 348.468 4.633 0 40 EJAB CC(C)(C)OC(=O)N1CCC[C@@H]1c1ccc(F)cc1Br 199829405 RATCFIVMOGOCAU-CYBMUJFWSA-N 344.224 4.660 0 40 EJAB CCc1cccc(CC)c1NC(=O)CSCc1cccc(C)c1 222738035 QKWUDDPTMDNVLO-UHFFFAOYSA-N 327.493 4.992 0 40 EJAB CCC1(CC)C[C@H](NC(=O)c2ccc(OC)cc2)c2ccccc2O1 223110503 GODPGTXXNFAREY-SFHVURJKSA-N 339.435 4.508 0 40 EJAB CO[C@]1(C(=O)Nc2cc(C)c(OCC(C)C)c(C)c2)CCC[C@@H](C)C1 225638514 JWTKZDWMIYRISZ-QVKFZJNVSA-N 347.499 4.872 0 40 EJAB Fc1ccc(C2(CNC(=S)Nc3cccc(F)c3)CCCC2)cc1 225810334 AOEDRHATQKNDCZ-UHFFFAOYSA-N 346.446 4.763 0 40 EJAB CN(C(=O)c1ccc(-c2ccc(Cl)c(N)c2)o1)C1CCCCC1 226303733 RODYHVFFXLJPHK-UHFFFAOYSA-N 332.831 4.587 0 40 EJAB Cc1cc(N)c(NC(=O)COc2ccc(C(C)(C)C)cc2)cc1Cl 226358753 PPOINSABYHMANF-UHFFFAOYSA-N 346.858 4.546 0 40 EJAB O=C(Nc1ccccc1)c1nc(Nc2ccccc2)c2ccccc2n1 149361 COWLDHHBCOVWCA-UHFFFAOYSA-N 340.386 4.626 0 40 EJAB Cc1cccc2sc(NC(=O)c3ccc(OC(C)C)cc3)nc12 363832 OFMOARONLFZUIL-UHFFFAOYSA-N 326.421 4.644 0 40 EJAB Cc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)c1 557973 OCNASSBEHAKCBE-UHFFFAOYSA-N 348.368 4.866 0 40 EJAB CC(C)Oc1ccc(-c2cn3cc(Br)ccc3n2)cc1 1291515 XFXQXCQLDDTHNQ-UHFFFAOYSA-N 331.213 4.551 0 40 EJAB CC(C)(C)c1nc(SCC(=O)c2ccccc2)c2ccccc2n1 1342557 WMJCGMACWLYLIN-UHFFFAOYSA-N 336.460 4.902 0 40 EJAB O=C(OCc1nc2ccccc2n1Cc1ccccc1)c1cccs1 1428406 SWESYBFYGLSIEI-UHFFFAOYSA-N 348.427 4.503 0 40 EJAB CCCC(=O)Nc1ccc(Cc2ccc(NC(=O)CCC)cc2)cc1 1518644 ROQRJUZCYUTRQR-UHFFFAOYSA-N 338.451 4.755 0 40 EJAB O=C(c1ccc(C(F)(F)F)cc1)c1cccc(CN2CCCC2)c1 2515079 HXSZCZUWEOAKJY-UHFFFAOYSA-N 333.353 4.532 0 40 EJAB COc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1Cl 2662530 KUPUZHMFVZUWDR-UHFFFAOYSA-N 329.705 4.620 0 40 EJAB CC(=O)c1ccc(OCCCC(=O)Nc2cccc(Cl)c2C)cc1 3549504 JMZNYCNOXRPLTP-UHFFFAOYSA-N 345.826 4.649 0 40 EJAB Cc1ccn2cc(-c3cccc(NC(=O)Nc4ccccc4)c3)nc2c1 4649870 JJWWWCONWOBDHL-UHFFFAOYSA-N 342.402 4.954 0 40 EJAB CC(=O)Nc1cc(Cl)cc2c1-c1ccc(Cl)cc1[C@@H]2N(C)C 4975125 AWZOSLOOJDUKIT-KRWDZBQOSA-N 335.234 4.583 0 40 EJAB Cc1cc(C)cc(-n2c(-c3ccco3)nc3nc4ccccc4nc32)c1 5025126 VDMOOBVKPIYXEV-UHFFFAOYSA-N 340.386 4.846 0 40 EJAB CC(=O)O[C@@]1(C)CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 5291944 YKEIELWRIARSQU-DDYZSMPWSA-N 346.511 4.920 0 40 EJAB O=C1c2cccc3cccc(c23)C(=O)N1c1ccccc1C(F)(F)F 5583895 CNESQIKNVFSIKC-UHFFFAOYSA-N 341.288 4.659 0 40 EJAB C[C@H]1C[C@@H](C)CN([C@H](C)C(=O)Nc2ccccc2-c2ccccc2)C1 5721240 WPSGCUBUKCRVEC-FGTMMUONSA-N 336.479 4.659 0 40 EJAB O=C(O)CC1(CC(=O)Nc2ccc(Cl)c(Cl)c2)CCCCC1 6590094 RVRXDVPZFNBSFV-UHFFFAOYSA-N 344.238 4.747 0 40 EJAB C[C@@H](CCc1ccccc1)NC(=O)C1(c2ccc(Cl)cc2)CCC1 6852846 VHUNXTIXVSWINP-INIZCTEOSA-N 341.882 4.899 0 40 EJAB COCCc1ccc(Oc2ncnc3sc4c(c23)CCCC4)cc1 7983790 ZJNQCYMXPUZAQC-UHFFFAOYSA-N 340.448 4.551 0 40 EJAB CC1=CSC2=CC=C(C(F)(F)F)C[C@](O)(c3ccc(C)cc3)N12 8782855 NCNFCOZRUZENTP-INIZCTEOSA-N 339.382 4.784 0 40 EJAB c1ccc(CN2CC[C@H](NC3CCCC3)[C@@H](c3ccccc3)C2)cc1 12113179 NCIDXTBGDVKDPB-PKTZIBPZSA-N 334.507 4.577 0 40 EJAB CCCCN(C)C(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1 12780012 UZJVYJRJWQACTE-UHFFFAOYSA-N 349.434 4.584 0 40 EJAB C[C@@H](NCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 12792856 WLAVANZANPOHMW-QGZVFWFLSA-N 346.430 4.596 0 40 EJAB CCCC(=O)Nc1ccc(-c2csc(NCc3ccco3)n2)cc1 12884030 BCYSLPRLONFLPB-UHFFFAOYSA-N 341.436 4.754 0 40 EJAB Nc1cc(Br)ccc1OCc1cccc2ccccc12 14630930 NGNPDANNFFQZTA-UHFFFAOYSA-N 328.209 4.764 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)CCCOc2ccc(Cl)cc2)c(C)c1 22511232 QEFOMYTWUSWVHS-MRXNPFEDSA-N 345.870 4.993 0 40 EJAB COc1ccc([C@H]2CCCCCN2C(=O)c2ccc(Cl)o2)cc1 40005359 HBGODBADLOOUSJ-OAHLLOKOSA-N 333.815 4.699 0 40 EJAB COC(=O)Cc1ccccc1-c1nc2cc(-c3ccccc3)ccc2o1 41127402 SHWFXGWFLCISSZ-UHFFFAOYSA-N 343.382 4.877 0 40 EJAB C[C@H](NC(=O)c1ccc(Sc2ccccn2)cc1)c1ccccc1 58157310 YJETVXVRSYXMDO-HNNXBMFYSA-N 334.444 4.724 0 40 EJAB COc1ccc(CN(C(=O)c2ccccc2Cl)[C@@H](C)C2CC2)cc1 58642507 PXFLQJFFOYMHAS-AWEZNQCLSA-N 343.854 4.790 0 40 EJAB C[C@@H](CNC(=O)/C=C/c1ccc(Cl)cc1Cl)c1ccccc1 59475310 FVLRBNSGYHSLIF-FROQITRMSA-N 334.246 4.927 0 40 EJAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N(C)[C@H](C)c1ccco1 69103837 BCGFFWGPJJKDSV-HIFRSBDPSA-N 330.428 4.597 0 40 EJAB O=C(OCc1ccccc1)N1CCCC[C@H]1c1ccc(Cl)nc1 72211474 KUTMMUKDTFLKRD-INIZCTEOSA-N 330.815 4.599 0 40 EJAB O=C(/C=C/c1ccccc1Cl)N1CCC(c2ccsc2)CC1 75157133 DWDGJXFRXBMZSF-AATRIKPKSA-N 331.868 4.821 0 40 EJAB C[C@H](NC(=S)N1CCCCC[C@H]1c1ccncc1)c1ccccc1 84656612 CZZPYZOVVLHTPW-LPHOPBHVSA-N 339.508 4.634 0 40 EJAB COC(=O)c1ccccc1NC(=O)/C=C(\C)c1ccc2ccccc2c1 95938126 QKSZNUWDXFLUDC-FYWRMAATSA-N 345.398 4.668 0 40 EJAB Cc1noc(C)c1[C@@H](C)NCc1cc(C(F)(F)F)ccc1Cl 95973524 WFRJWBAPWJUMKJ-MRVPVSSYSA-N 332.753 4.814 0 40 EJAB CSc1ccccc1C(=O)N1CCCC[C@@H](c2ccc(F)cc2)C1 211080003 ZPIODIDXAABFLQ-MRXNPFEDSA-N 343.467 4.958 0 40 EJAB Cc1ccccc1[C@@H]1CCN(C(=O)c2ccc(Cl)cc2)CCS1 219275640 MEVVNPOSTHFNOZ-SFHVURJKSA-N 345.895 4.969 0 40 EJAB CCC1(CC)C[C@@H](NC(=O)CCc2ccccc2)c2ccccc2O1 223717024 CCAYFHAFLKFHGQ-LJQANCHMSA-N 337.463 4.818 0 40 EJAB CCc1ccccc1C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)O 225040283 OAFJFDFNIRSJEY-JOCHJYFZSA-N 346.426 4.991 0 40 EJAB CC[C@H](C)Oc1ccc(NC(=O)C2(OC)CCC(C)CC2)cc1C 225641378 BHUASROVAAYMBZ-FXUPRZHBSA-N 333.472 4.706 0 40 EJAB Cc1nc([C@@H](C)Nc2ccc(-c3cn4ccccc4n3)cc2)cs1 561786211 NSYKIBFGTMSSBU-CYBMUJFWSA-N 334.448 4.939 0 40 EJAB Cc1csc([C@H](C)Nc2ccc(-c3cn4c(n3)CCCC4)cc2)n1 623950921 UQXPPSNYANOCGF-AWEZNQCLSA-N 338.480 4.824 0 40 EJAB Cc1ccc(-c2cc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c3ccccc3n2)o1 204901 ZNYBBKBNQBRYLY-GJZGRUSLSA-N 348.446 4.921 0 40 EJAB CC(=O)c1cccc(NC(=O)CCCOc2ccc(Cl)c(C)c2)c1 3611475 AITTVVVQKOUQNT-UHFFFAOYSA-N 345.826 4.649 0 40 EJAB COC(=O)[C@@]1(C)CCC[C@@]2(C)c3cc(O)c(C(C)C)cc3CC[C@@H]12 4720787 LLPVUJKHELUZHR-GIVPXCGWSA-N 330.468 4.699 0 40 EJAB CC(C)[C@H](NC(=O)CCc1nc2ccccc2s1)c1cccs1 7078450 GLQNSSNZSRJQQB-SFHVURJKSA-N 344.505 4.804 0 40 EJAB CC(C)c1ccccc1NC(=O)COc1cccc(C(F)(F)F)c1 7263852 VGEJHZWQLGSYQO-UHFFFAOYSA-N 337.341 4.846 0 40 EJAB O=C(Nc1ccccc1SC(F)F)c1ccc(Br)o1 9314024 NHQXMRQUWFNOGS-UHFFFAOYSA-N 348.168 4.609 0 40 EJAB CC1=C(C)[C@@H](c2c(C)[nH]c3ccccc23)N(Cc2cccs2)C1=O 9668384 XPMPDZZKFHINNM-IBGZPJMESA-N 336.460 4.958 0 40 EJAB Cc1ccc(OC(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1C 11914865 PXZRLPULCYZVLM-UHFFFAOYSA-N 327.767 4.831 0 40 EJAB COc1ccc(C(=O)Nc2nc3c(C)ccc(C)c3s2)cc1Cl 14258008 XDSULBUEKMBFDQ-UHFFFAOYSA-N 346.839 4.827 0 40 EJAB COC(=O)c1c(CCCCCCc2ccccc2)cccc1OC 28540894 BZYKCSRDSVDVEO-UHFFFAOYSA-N 326.436 4.827 0 40 EJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCCSC(C)(C)C 30860788 NOAASGQAVSIPHF-QGZVFWFLSA-N 345.508 4.645 0 40 EJAB Cc1ccc([C@H](C)NC(=O)COc2ccc(Cl)c(C)c2)c(C)c1 30873035 LWUAJDIEEXMAJG-HNNXBMFYSA-N 331.843 4.521 0 40 EJAB O=C(N(Cc1cccc2[nH]ccc12)C1CC1)C12CC3CC(CC(C3)C1)C2 32073999 LCRSOXPEDJJISK-UHFFFAOYSA-N 348.490 4.875 0 40 EJAB CC[C@H](C)c1ccc(OCC[C@H]2CCCCN2)c(Br)c1 42770391 FMEVYXJNSPYRRN-DZGCQCFKSA-N 340.305 4.874 0 40 EJAB Cc1ccc(CCCC(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc1 44383157 WHDADWZHJIUTEB-FQEVSTJZSA-N 347.462 4.558 0 40 EJAB Cc1cc(C)c2cc(C(=O)N(C)Cc3ccc([C@H]4C[C@@H]4C)o3)[nH]c2c1 58006573 TVAXNUDGNPOJMF-YOEHRIQHSA-N 336.435 4.773 0 40 EJAB O=C(NCc1cc2ccccc2o1)N1CCC[C@@H]1c1cccs1 79558666 MAEPDEKAFOGPDY-OAHLLOKOSA-N 326.421 4.541 0 40 EJAB CC(C)c1ccc(CNCCc2nc(-c3ccncc3)cs2)cc1 84625124 BWASUOOUMSTCTA-UHFFFAOYSA-N 337.492 4.661 0 40 EJAB O=C(c1ccccc1F)N1[C@@H]2CC[C@@H]1CC(c1ccc(F)cc1)C2 100166243 VZCVELBUYMRCFD-IAGOWNOFSA-N 327.374 4.516 0 40 EJAB Oc1c2c(nc3c(-c4ccccc4)c(-c4ccccc4)nn13)CCCC2 102581699 VNVFLZXQYKYNIM-UHFFFAOYSA-N 341.414 4.648 0 40 EJAB Cc1cccc(CCCNC(=O)[C@H](C)Oc2cccc3ccccc23)c1 219040310 CAAQBMMNWRZNSJ-SFHVURJKSA-N 347.458 4.665 0 40 EJAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(OC2CCCC2)cc1 225622052 WTRLDLDYNDZJTO-FQEVSTJZSA-N 333.472 4.932 0 40 EJAB Cc1cc2nc(-c3ccc[n+](Cc4ccc(F)cc4)c3)oc2cc1C 226308322 SFCPBQMQKZIOLM-UHFFFAOYSA-N 333.386 4.587 0 40 EJAB Cc1cccc([C@@H]2Nc3c(C(=O)O)cccc3[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)c1 251195253 PUXRBJYOENWGBS-YJKZWKBDSA-N 333.431 4.990 0 40 EJAB Cc1cc2c(cc1-c1ccnc(N3CCCC3)n1)[C@H](C)CC(C)(C)N2 575473270 PYXWAIJFDPBLAM-OAHLLOKOSA-N 336.483 4.750 0 40 EJAB CNC(=O)c1sccc1SCc1c(Cl)cccc1Cl 1393210 GJIDJZFFJQXZJF-UHFFFAOYSA-N 332.277 4.707 0 40 EJAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccc(F)cc1F 1401143 SGQRWZQPXWGTCH-UHFFFAOYSA-N 330.359 4.649 0 40 EJAB CCc1c(CC(=O)O)c2cc(C)ccc2n1Cc1ccc(Cl)cc1 1693963 XUBDVYNYGDLQIY-UHFFFAOYSA-N 341.838 4.841 0 40 EJAB CCCCCCNC(=O)CCCOc1cc(C)c(Cl)c(C)c1 1787128 ILIRSZSPAVTVES-UHFFFAOYSA-N 325.880 4.812 0 40 EJAB C[C@@H](NC(=O)C[C@H](c1ccc(F)cc1)c1ccco1)c1ccccc1 5478419 MMNJAEVCVXIQDG-DNVCBOLYSA-N 337.394 4.818 0 40 EJAB COc1ccc(C2=NN(c3nc(C)cs3)[C@@H](c3ccccc3)C2)cc1 9305385 LWXQFBXIVMABHI-LJQANCHMSA-N 349.459 4.816 0 40 EJAB CCC[C@H](C)NC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 12801229 UFCXJOAACVNMKR-NSHDSACASA-N 325.330 4.884 0 40 EJAB CC(C)n1ncc2cc(NC(=O)c3ccc(Cl)cc3Cl)cnc21 12803422 GGIWWHXUWDCTSP-UHFFFAOYSA-N 349.221 4.571 0 40 EJAB COc1cc(CCC(=O)Nc2c(C)cc(C)cc2Cl)cc(OC)c1 15606413 CTCHIKCKCQSYCE-UHFFFAOYSA-N 347.842 4.545 0 40 EJAB Cc1ccc(SCCNC(=S)Nc2ccccc2Cl)cc1 18138935 VVWZRFRLFZHURQ-UHFFFAOYSA-N 336.913 4.727 0 40 EJAB Cc1ccc(NC(=S)Nc2ccc(OC(F)(F)F)cc2)cc1F 18918865 BNCWWHSSBVDSSJ-UHFFFAOYSA-N 344.333 4.842 0 40 EJAB Cc1ccsc1-c1nnc(C2CCN(Cc3ccsc3)CC2)o1 19238736 VEUYVNSGLMRQBO-UHFFFAOYSA-N 345.493 4.548 0 40 EJAB O=C(Nc1cccc(Cl)c1)c1cccnc1NC1CCCCC1 22072806 NVTWXKCESBUBQL-UHFFFAOYSA-N 329.831 4.732 0 40 EJAB COc1cccc(NC(=O)N2CCS[C@H]2c2ccc(Cl)cc2)c1 28232255 DWXSNJLYLOHNKK-INIZCTEOSA-N 348.855 4.628 0 40 EJAB Brc1ccc(-c2nnc(Nc3ccccc3)s2)cc1 28637990 YUBDYJWAAJSUFQ-UHFFFAOYSA-N 332.226 4.711 0 40 EJAB CN(Cc1ccc(Cl)s1)c1ncnc2c1oc1ccccc12 32510049 MYMFOUVFLYFWFK-UHFFFAOYSA-N 329.812 4.727 0 40 EJAB O=C(/C=C/c1ccc(F)cc1)Nc1ccccc1N1CCCCCC1 32905883 FDIGWNUOWBOQRH-SDNWHVSQSA-N 338.426 4.858 0 40 EJAB CSc1nnc(SCc2csc(-c3ccc(C)o3)n2)s1 32922455 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COc1ccc([C@@H]2Nc3c(C(=O)O)cccc3[C@H]3[C@H]4CC[C@@H](C4)[C@@H]32)cc1 245380820 NXJJWEHKROFMQZ-QGCVXUCCSA-N 349.430 4.690 0 40 EJAB Cc1ccc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)cc1 409058071 SHKNEVXNEUMZNV-GDNBJRDFSA-N 329.808 4.889 0 40 EJAB Cc1cncc([C@H](C)Nc2ccc(-c3cn4ccccc4n3)cc2)c1 546645521 GUDUCNPZHXDMFJ-INIZCTEOSA-N 328.419 4.878 0 40 EJAB CSCc1cccnc1C(=O)N1CCC[C@@H]1c1c(C)cccc1C 598857496 PEVMSHFNOSVDIC-QGZVFWFLSA-N 340.492 4.539 0 40 EJAB CCN1C(=Cc2nc3ccccc3n2CC)N(CC)c2ccccc21 529392 OUXWKBIXYRDUCP-UHFFFAOYSA-N 332.451 4.721 0 40 EJAB COP(=O)(OC)[C@@H](Nc1cccc(Cl)c1)c1ccccc1 2300445 QNIVWWMRMHCXRW-OAHLLOKOSA-N 325.732 4.937 0 40 EJAB Cc1ccc(Nc2ncc3c(n2)C[C@@H](c2ccccc2)CC3=O)c(C)c1 2395383 JEDDHBUOUCRCHW-QGZVFWFLSA-N 343.430 4.750 0 40 EJAB Cc1cc(C)c2[nH]c(C)c(CC(=O)Nc3ccc(Cl)cc3)c2c1 4614298 DCQAYXJZBXJJCA-UHFFFAOYSA-N 326.827 4.928 0 40 EJAB Cc1ccc2nc(-c3ccc(SCc4ccccn4)nc3)[nH]c2c1 4903485 PYSQBOYQRDTTCW-UHFFFAOYSA-N 332.432 4.621 0 40 EJAB COc1ccc(CNC(=O)c2ccccc2Cl)c(C(C)(C)C)c1 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O=C1c2cccc3cccc(c23)N1CN1CCC[C@@H]1c1cccs1 32506969 OONIXWDEYLNLSE-MRXNPFEDSA-N 334.444 4.656 0 40 EJAB Cc1ccc(-c2nc(CN(Cc3ccccn3)C(C)C)cs2)o1 40152860 CUYSQTKDDPCISN-UHFFFAOYSA-N 327.453 4.517 0 40 EJAB CC(=O)c1cc2c(cc1O)c(C(C)=O)c(C)n2-c1ccc(Cl)cc1 68755347 KQLWJLDOTWQHFL-UHFFFAOYSA-N 341.794 4.703 0 40 EJAB Cc1nc(CNCc2ccc(Oc3ccccc3F)c(F)c2)oc1C 69950146 BCYBFHDZNWXSMS-UHFFFAOYSA-N 344.361 4.652 0 40 EJAB Cc1ccc(-c2ncco2)cc1NC(=O)c1ccc(Cl)cc1F 89618873 DNEFUMIVFSHTSW-UHFFFAOYSA-N 330.746 4.695 0 40 EJAB Cc1cc(C)c(NC(=O)[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)c(C)n1 97214004 YTPJMJIHIICWNB-CABCVRRESA-N 348.368 4.768 0 40 EJAB Cc1ccc(C(C)C)c(OCC(=O)n2c(C)c(C=O)c3ccccc32)c1 218739443 NANJYNRSOCLKIE-UHFFFAOYSA-N 349.430 4.913 0 40 EJAB C[C@H](NC(=O)COc1cccc2ccccc12)c1ccc2c(c1)CCC2 223206134 ZCAPJTPFXLPJIM-INIZCTEOSA-N 345.442 4.585 0 40 EJAB CCc1ccccc1O[C@H](C)C(=O)N[C@@H](C)c1cc(C)c(C)cc1C 223463856 OYMSJLJCUIRBHF-ZWKOTPCHSA-N 339.479 4.819 0 40 EJAB Cc1cccnc1NC(=S)NCC1(c2ccccc2)CCCCC1 223991857 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Cc1csc2nc(-c3cccc(NC(=O)C4CCCCC4)c3)cn12 4249066 MDZXIMQJKFSOAG-UHFFFAOYSA-N 339.464 4.890 0 40 EJAB COc1ccc([C@@H](c2ccc(OC)c(OC)c2)c2ccc(C)o2)cc1 4860782 ZMTNHIWTYNXBAI-NRFANRHFSA-N 338.403 4.794 0 40 EJAB CCN(c1ccc(NC(=O)c2ccc(OC(F)F)cc2)cc1)C(C)C 5200264 DMPYXWDDMCVILG-UHFFFAOYSA-N 348.393 4.775 0 40 EJAB COc1cc(OC)cc(-c2nnc(S[C@H](C)c3ccccc3)o2)c1 5435338 YFHVVOIMHOGUQR-GFCCVEGCSA-N 342.420 4.607 0 40 EJAB CCCCOC(=O)c1ccc(NC(=O)c2cc(C)ccc2C)cc1 6274610 RITZUBKRABIDKN-UHFFFAOYSA-N 325.408 4.513 0 40 EJAB Fc1ccc(-n2c(S)nnc2[C@H]2C[C@@H]2c2ccc(Cl)cc2)cc1 6534072 WSPYYBNELOKGKD-CABCVRRESA-N 345.830 4.620 0 40 EJAB Cc1cccc(OCCCC(=O)N[C@H]2CCSc3ccccc32)c1 7814074 AMKXGSRWHQYFIV-SFHVURJKSA-N 341.476 4.507 0 40 EJAB CCOc1cc(CN[C@H](C)C23CC4CC(CC(C4)C2)C3)ccc1OC 8254367 FCEVJSWCLGUBGU-VZLUNSFSSA-N 343.511 4.788 0 40 EJAB Clc1ccc([C@H](Sc2nnnn2C2CC2)c2ccccc2)cc1 8325524 BVHNBQLHZUHCMU-MRXNPFEDSA-N 342.855 4.543 0 40 EJAB Cc1ccsc1CN(C)C(=O)C1c2ccccc2Oc2ccccc21 8391279 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Cc1ccc(NS(=O)(=O)c2cc(Cl)c(Cl)cc2C)c(C)c1 32601922 UCSQEQQOOWNZLV-UHFFFAOYSA-N 344.263 4.719 0 40 EJAB O=C(Cc1ccccc1Cl)NC1CCC(c2ccccc2)CC1 32797001 LBKSBSGKFZOUCS-UHFFFAOYSA-N 327.855 4.725 0 40 EJAB CC(C)(C)[C@H]1COC(C2(C3=N[C@@H](C(C)(C)C)CO3)CCCCC2)=N1 34468601 FKMZKCPMCVOKEV-HUUCEWRRSA-N 334.504 4.624 0 40 EJAB C[C@H](NCC(=O)Nc1ccc(-c2ccccc2)cc1)c1ccccc1 89905719 IGZYBILAXICEQQ-KRWDZBQOSA-N 330.431 4.643 0 40 EJAB CCCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1csc(C(C)C)n1 95953940 SZCWOUNMYFZFCK-HNNXBMFYSA-N 349.887 4.896 0 40 EJAB Cc1noc(C)c1[C@H](C)N[C@@H](C)c1cc(Br)ccc1F 95968000 WIZGCFOFHBHWJT-IUCAKERBSA-N 341.224 4.605 0 40 EJAB CC(=O)c1ccc(O)c(NC(=O)c2sccc2-c2ccccc2)c1 95992930 PZCTVRXBXAVJHZ-UHFFFAOYSA-N 337.400 4.576 0 40 EJAB O=C(Cc1cccs1)N[C@@H]1CCCc2c1[nH]c1c(Cl)cccc21 96230731 YYSKNZBRJAGBJF-OAHLLOKOSA-N 344.867 4.619 0 40 EJAB O=C1Nc2ccc(Cl)cc2S/C1=C/Nc1ccc(Cl)cc1 100401456 BMOCSXQJJQWPQB-RIYZIHGNSA-N 337.231 4.991 0 40 EJAB Cc1noc2c1[C@H](C(C)C)C1=C(O)C[C@@H](c3ccc(O)cc3)CC1=N2 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CCCCNC(=O)c1ccccc1NC(=O)Nc1ccc(Cl)cc1 14796039 MHQJLCZHGPFJMN-UHFFFAOYSA-N 345.830 4.514 0 40 EJAB Cc1cc(C[C@@H]2CCC[C@H]2NCc2c(Cl)cccc2Cl)on1 19120517 UCAYWNXARACOLF-YVEFUNNKSA-N 339.266 4.791 0 40 EJAB O=C(O)c1cccc(COc2ccc(/C=C/c3ccncc3)cc2)c1 19773031 WKUHWWYBUWXCOQ-SNAWJCMRSA-N 331.371 4.529 0 40 EJAB O=C(CCc1ccc2ccccc2n1)OCc1nc2ccccc2s1 21432019 USAAVQMEZLFTGE-UHFFFAOYSA-N 348.427 4.521 0 40 EJAB Clc1ccccc1CN1CCC[C@H](c2nc3ccccc3[nH]2)C1 22852724 LJCOSZWKFZCOAV-HNNXBMFYSA-N 325.843 4.596 0 40 EJAB C=C1c2ccccc2NC(=O)N1Cc1ccccc1CN1CCCCC1 25048834 BXYBZNFITKPNMK-UHFFFAOYSA-N 347.462 4.691 0 40 EJAB Cc1ccc(CN(C)C(=O)/C=C/c2ccc(-c3ccccc3F)o2)o1 32520974 CSXAKRAIWXQQQO-ZRDIBKRKSA-N 339.366 4.659 0 40 EJAB COc1ccc(-c2nc3n(c2-c2ccc(SC)cc2)CCC3)cc1 41104834 DBDVSEPJLZFSRB-UHFFFAOYSA-N 336.460 4.894 0 40 EJAB CCc1ccc(CN(CCCn2ccnc2)Cc2ccc(C)s2)o1 43277895 VNNALVAURUFXHW-UHFFFAOYSA-N 343.496 4.501 0 40 EJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(F)c(Cl)c1 44839890 XZPQAXJIBRRSFD-HNNXBMFYSA-N 342.197 4.929 0 40 EJAB O=C(Nc1nc2ccccc2s1)N1CCC[C@@H]1c1ccsc1 45954913 GCAUZSGHCHOXGD-CYBMUJFWSA-N 329.450 4.727 0 40 EJAB CC(C)(C)C(=O)NC[C@@H](c1cccs1)c1c[nH]c2ccccc12 49929846 IBIRPELRYMRGLI-OAHLLOKOSA-N 326.465 4.524 0 40 EJAB Cc1ccccc1NC(=O)CN[C@H](c1ccc(Cl)cc1)C(C)C 57574452 HRPNJGAIADJNEN-IBGZPJMESA-N 330.859 4.574 0 40 EJAB COc1ccccc1C[C@H]1CCCN1Cc1csc(C(C)(C)C)n1 58167885 RSINPSFOFTUPCI-QGZVFWFLSA-N 344.524 4.656 0 40 EJAB O=C(N[C@H]1CCc2ccccc21)c1sccc1-c1ccc(F)cc1 58423808 BRYLPMASGAZIDY-SFHVURJKSA-N 337.419 4.972 0 40 EJAB O=C([C@@H]1CCC[C@H](C(F)(F)F)C1)N1CCCC[C@@H]1c1nccs1 72285842 HIBVFONIZXZQGG-FRRDWIJNSA-N 346.418 4.565 0 40 EJAB Fc1ccccc1-c1cccc([C@@H]2CCCN(Cc3ccccn3)C2)n1 72348923 DNJDHSPBBJZVRY-QGZVFWFLSA-N 347.437 4.662 0 40 EJAB C[C@H](N(C)C(=O)/C=C/c1csc(-c2ccc(F)cc2)n1)C1(C)CC1 75108215 NLGKYOCJXLETAL-XEHSLEBBSA-N 344.455 4.609 0 40 EJAB CC[C@H](Oc1ccccc1)C(=O)N[C@@H](CC)c1ccc(C)cc1C 222868018 RNNZDRVLAFJAHU-PMACEKPBSA-N 325.452 4.728 0 40 EJAB CC[C@H](Oc1ccc(C)cc1C)C(=O)NC(C)(C)Cc1ccccc1 222905048 ISEJCEATZOZYCD-IBGZPJMESA-N 339.479 4.598 0 40 EJAB CCc1ccc(NC(=O)c2ccc(OC)c(COCC(C)C)c2)cc1 224447749 XPPBJXASPBBQTL-UHFFFAOYSA-N 341.451 4.683 0 40 EJAB O=C(NCc1ccnc(-c2cccs2)c1)c1ccc(F)cc1Cl 225650398 ZWKPWTQOZLXSHE-UHFFFAOYSA-N 346.814 4.533 0 40 EJAB C[C@H](Oc1cccc2c1CCCC2)C(=O)NC1CCCCCCC1 225805096 WLSVWJJERNNZSZ-INIZCTEOSA-N 329.484 4.562 0 40 EJAB C[C@@H](C(=O)Nc1ccccc1)c1cccc(C(=O)c2ccccc2)c1 363662 HYKIQLBXJFFPKJ-MRXNPFEDSA-N 329.399 4.660 0 40 EJAB CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(OC)c3ccccc23)C1=O 981267 WDQXYZXJKBWAKV-PBSOMRJOSA-N 341.432 4.683 0 40 EJAB Cc1nc(N[C@@H](C)c2ccccc2)sc1C(=O)Nc1ccccc1 3431515 SJSFWGSDXSCXNK-ZDUSSCGKSA-N 337.448 4.877 0 40 EJAB CC1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3cccnc3)=NN12 5500863 BGTFFGNVYCZOQU-QOSBUDKSSA-N 333.435 4.532 0 40 EJAB CCCCOc1ccc(C(=O)Nc2nc3c(s2)C[C@H](C)CC3)cc1 5597172 DOLFQBMAOFKTRN-CYBMUJFWSA-N 344.480 4.699 0 40 EJAB O=C(COc1ccc(F)c(Cl)c1)Nc1ccc2ccccc2c1 5616970 OLYGUZMNVJJVOT-UHFFFAOYSA-N 329.758 4.650 0 40 EJAB O=C(CSCc1ccccc1)Nc1ccc(C(F)(F)F)cc1 6392685 KAVLZHYLLOJMFR-UHFFFAOYSA-N 325.355 4.577 0 40 EJAB COc1ccc(C(=O)Nc2ccc3c(c2)-c2ccccc2C3)cc1F 7285538 CBLKKVSKVJPGSN-UHFFFAOYSA-N 333.362 4.658 0 40 EJAB O=C(COc1ccc(Cl)cc1)Oc1ccc(Cl)c2cccnc12 7612481 NWIGDUSSWXTDII-UHFFFAOYSA-N 348.185 4.526 0 40 EJAB Cc1ccc(C)c(N(CC(=O)c2cccs2)C2=NCCCC2)c1 8410770 NKRHFRLIZRGRBI-UHFFFAOYSA-N 326.465 4.637 0 40 EJAB Cc1cc(-c2ccccc2)cc([C@H]2CCCN2C(=O)C2CCCC2)n1 19690604 HIOUEUCXELCDHB-OAQYLSRUSA-N 334.463 4.911 0 40 EJAB C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)N1CCCc2ccccc21 23693615 PATBHJBSHWQEFQ-ZDUSSCGKSA-N 339.826 4.904 0 40 EJAB CN(CC(=O)Nc1ccc(Cl)cc1Cl)[C@H]1CCc2ccccc21 29483115 WZUJGLCWBQEIII-KRWDZBQOSA-N 349.261 4.551 0 40 EJAB O=C(Nc1ccc(-c2nc3cnccc3o2)cc1)c1cccc(Cl)c1 32088175 HCVMBCNVAKGFAH-UHFFFAOYSA-N 349.777 4.796 0 40 EJAB C[C@H](c1cc2ccccc2o1)N(C)C(=O)NCCc1cccc(F)c1 32779707 RHTYWCPKRMHKOF-CQSZACIVSA-N 340.398 4.517 0 40 EJAB CCC[C@H](C)NC(=O)c1sc(-c2ccco2)nc1-c1ccccc1 40052302 ZUFFHFZWVHNSLB-ZDUSSCGKSA-N 340.448 4.989 0 40 EJAB Cc1ccc(-c2cc(C(=O)Nc3cc(Cl)ccc3Cl)n[nH]2)cc1 44837724 QRGSHPHCSIWCLY-UHFFFAOYSA-N 346.217 4.944 0 40 EJAB CC(=O)c1ccccc1NC(=O)c1sc2nc(C)cc(C)c2c1C 58475476 HPDJRWNDRSVWTQ-UHFFFAOYSA-N 338.432 4.676 0 40 EJAB CC(C)(C)OC(=O)N(c1ncccc1C1=NCCCC1)C1CCCC1 72215633 JZTQSEIKGFCIHW-UHFFFAOYSA-N 343.471 4.739 0 40 EJAB C[C@H](N[C@@H]1CCCCc2ccccc21)c1ccc([S@](C)=O)cc1 95421535 JCBDULRIUOTXOK-UYGSHGSRSA-N 327.493 4.542 0 40 EJAB Cc1cnc(NC(=O)c2ccc(Oc3ccccc3Cl)o2)s1 96183871 BQQJXCZOGLYPLB-UHFFFAOYSA-N 334.784 4.743 0 40 EJAB CO[C@]12C=C[C@@H](CC1=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c12 103117088 JMMYCLRFBMAFBN-VPROBKIXSA-N 338.017 4.768 0 40 EJAB C[C@H](Nc1ccc(NC(=O)c2ccncc2F)cc1)c1ccccc1 132468975 WJILTJNIBVGXQW-AWEZNQCLSA-N 335.382 4.646 0 40 EJAB Cc1cscc1C(=O)Nc1ccccc1NC(=O)c1ccccc1 175636808 ZPXYLMKOMXMMGR-UHFFFAOYSA-N 336.416 4.561 0 40 EJAB CC(C)c1ccc(NC(=O)c2cnc(-c3cccc(F)c3)nc2)cc1 222620847 GUVBSDRHFSSLJN-UHFFFAOYSA-N 335.382 4.658 0 40 EJAB CCc1ccc(O[C@H](CC)C(=O)Nc2ccc(OC)c(Cl)c2)cc1 222877515 DXMDNPPWGPGFKQ-QGZVFWFLSA-N 347.842 4.707 0 40 EJAB CCc1ccc(CC)c(CNC(=O)[C@H](C)Sc2ccc(C)cc2)c1 223020905 MDDNCZCGXKVSHR-INIZCTEOSA-N 341.520 4.917 0 40 EJAB CCCCNC(=O)c1ccc(OCC)c(COc2ccccc2C)c1 224369438 RRTQLJNYIUYZOW-UHFFFAOYSA-N 341.451 4.503 0 40 EJAB O=C(NC1CCCCC1)N[C@@H]1CC2(CCCCC2)Oc2ccccc21 225754073 YLMFCLLSGZNWRI-GOSISDBHSA-N 342.483 4.845 0 40 EJAB CC(C)c1ccc(CCCNC(=O)CCc2ccc(F)cc2)cc1 225801073 BZNYCOKQIDEMTG-UHFFFAOYSA-N 327.443 4.631 0 40 EJAB Cc1cccc(C2(NC(=S)Nc3ccccc3F)CCCC2)c1 225850646 UNQGATMOQAALGW-UHFFFAOYSA-N 328.456 4.890 0 40 EJAB CCN(C(=O)C(F)(F)F)c1ccc(-c2nc3cc(C)ccc3o2)cc1 226284662 HJGMXBKZGUYOSS-UHFFFAOYSA-N 348.324 4.718 0 40 EJAB O=C(Cc1cccc2ccccc12)NCC(c1ccco1)c1ccco1 675007864 WPWWQXJQRCZFCL-UHFFFAOYSA-N 345.398 4.517 0 40 EJAB Cc1cc2cccc(C)c2nc1SCC(=O)N1CCc2ccccc21 411930 LEHNXTDRDOUHRT-UHFFFAOYSA-N 348.471 4.533 0 40 EJAB O=C(Oc1ccc2c(=O)c(-c3ccccc3)coc2c1)C1CCCCC1 534867 GWQQUVVFYMWCEC-UHFFFAOYSA-N 348.398 4.946 0 40 EJAB biogenic O=C1[C@@H](Cc2ccc(Cl)c(Cl)c2)Sc2nc3ccccc3n21 548868 KXKKEUBWWMZANG-CQSZACIVSA-N 349.242 4.700 0 40 EJAB COc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)cc1 563575 JSYMXYYREKIFPR-UHFFFAOYSA-N 342.395 4.519 0 40 EJAB C[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccccc2Cl)N3)C1 2492889 PUGTXTOXWGPIBZ-PSLIRLAXSA-N 332.856 4.955 0 40 EJAB Cc1ccc(SCC(=O)Nc2nc(-c3ccccc3)cs2)cc1 3049170 BYYYBYPXSJUABS-UHFFFAOYSA-N 340.473 4.849 0 40 EJAB Cc1ccc(N2C[C@H](c3nc4ccccc4n3C(C)C)CC2=O)c(C)c1 4903011 VJHHVIBJOMOPOK-QGZVFWFLSA-N 347.462 4.755 0 40 EJAB COc1ccc(NC(=O)N2CCS[C@@H]2c2ccccc2Cl)cc1 4941140 BIESPNICKCOHCJ-MRXNPFEDSA-N 348.855 4.628 0 40 EJAB O=c1[nH]c(CSc2cc(Cl)ccc2Cl)nc2ccsc12 5173802 QLRLWGORBSPQFM-UHFFFAOYSA-N 343.260 4.584 0 40 EJAB CC(=O)NCC[C@H]1[C@@H](c2c(C)[nH]c3c2ccc2ccccc23)C1(C)C 5477728 LXJVNXPZQCZABX-ICSRJNTNSA-N 334.463 4.895 0 40 EJAB COc1cc(Cl)c(C)cc1NC(=O)c1ccc(OC(C)C)cc1 6307191 PDHYEEBXWUZLAH-UHFFFAOYSA-N 333.815 4.697 0 40 EJAB COc1cc(SC)ccc1C(=O)Nc1ccc(C(F)(F)F)cc1 6393199 OXKOJBRHRQUYEI-UHFFFAOYSA-N 341.354 4.688 0 40 EJAB Oc1cccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cccs2)c1 10215377 OVPLERFNBCIBAQ-PXNSSMCTSA-N 348.427 4.696 0 40 EJAB Cc1ccc(C)c(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)c1 11916099 OZUFQIPQOHBBIT-UHFFFAOYSA-N 326.783 4.864 0 40 EJAB Cc1noc2nc(C3CC3)cc(C(=O)Nc3ccccc3C(C)C)c12 12816917 XILAOKSTSJTRHL-UHFFFAOYSA-N 335.407 4.784 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1 20038734 DSPNBZOUSKFQEJ-IAGOWNOFSA-N 333.431 4.793 0 40 EJAB Cc1ccc(OCCCC(=O)N[C@@H](C)c2ccc(C)cc2C)cc1 20460059 AUEMYDNPTIFXEB-SFHVURJKSA-N 325.452 4.648 0 40 EJAB CN(C)Cc1ccccc1NC(=O)c1sc2ccccc2c1Cl 24810130 ZRRBQFIRCINWRE-UHFFFAOYSA-N 344.867 4.869 0 40 EJAB COc1ccc(N(Cc2ccco2)C(=O)/C=C/c2ccc(C)cc2)cc1 27795694 DKWTVEGOHMATLD-NTEUORMPSA-N 347.414 4.843 0 40 EJAB Cc1ccc2oc([C@H]3CCN(Cc4cc5ccccc5o4)C3)nc2c1 35446519 JTBIVRRHMMNHNR-INIZCTEOSA-N 332.403 4.872 0 40 EJAB biogenic,in-vitro Cc1noc(-c2ccc(Cl)cc2)c1C(=O)N[C@H](C)c1ccccc1 35681749 PLBZJYGHOLOXEG-GFCCVEGCSA-N 340.810 4.794 0 40 EJAB CCc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1 57412050 NOETVOLDNKRWID-UHFFFAOYSA-N 325.799 4.545 0 40 EJAB CC[C@H](NC(=O)COc1ccccc1C(C)C)c1ccc(C)cc1 59351749 FQZZKJNLWDEAOS-IBGZPJMESA-N 325.452 4.765 0 40 EJAB COc1cc2c(cc1OC)C(c1ccccc1)(c1ccccc1)OC2 68741488 CMCDQFIDPCCJOE-UHFFFAOYSA-N 332.399 4.526 0 40 EJAB CSCc1nnc(SCc2sc(-c3ccccc3)nc2C)o1 69440693 OBEIPOGQAGCYOO-UHFFFAOYSA-N 349.506 4.657 0 40 EJAB COc1ccc(Cl)cc1COc1cccc(Oc2ncccn2)c1 75582067 FITLEPLDUJHZSE-UHFFFAOYSA-N 342.782 4.510 0 40 EJAB COc1cccc2cc([C@@H](C)N[C@H](C)c3cnn(C(C)C)c3)oc12 95419645 UZSGHLDVSSPDNI-ZIAGYGMSSA-N 327.428 4.631 0 40 EJAB CC[C@@H](Oc1ccc(F)cc1)C(=O)N[C@H](CC)c1ccc(C)cc1C 219328225 OEBQUHRLKNAHJR-WOJBJXKFSA-N 343.442 4.867 0 40 EJAB CC(C)(C)c1ccccc1OCCNC(=O)Nc1ccc(Cl)cc1 223730686 PUFDMFACGLBKJR-UHFFFAOYSA-N 346.858 4.838 0 40 EJAB O=C(COc1cccc2c1CCCC2)Nc1ccc2ccccc2c1 224484115 OSBGAOTUEJBQBC-UHFFFAOYSA-N 331.415 4.736 0 40 EJAB COc1ccc2c(c1)CCC[C@H]2NC(=S)Nc1ccc(C)c(C)c1 225702264 PVFPBZDXXVFBKL-LJQANCHMSA-N 340.492 4.676 0 40 EJAB c1ccc(N=c2nc(-c3ccccc3)n(-c3ccccc3)s2)cc1 252486751 MWKGMZRDURKJEZ-UHFFFAOYSA-N 329.428 4.833 0 40 EJAB Cc1ccc(-c2ccc(OC(=O)c3ccccc3Cl)nn2)cc1C 408526795 BGAXINMDSFYVSP-UHFFFAOYSA-N 338.794 4.633 0 40 EJAB Cc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)c(C)n1C(C)C 408961537 MXHLRHKMAFTKJH-GZTJUZNOSA-N 340.448 4.927 0 40 EJAB O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1ccc(O)c(Cl)c1 409096872 MIYPPCTXIHQZDV-WZUFQYTHSA-N 339.700 4.557 0 40 EJAB O=C(C[C@H](c1ccsc1)n1cccc1)Nc1cccc2cccnc12 524735183 CUTYHGORHIKTBI-GOSISDBHSA-N 347.443 4.716 0 40 EJAB O=c1c2c(-c3ccccc3)csc2ncn1CCCc1ccccc1 5414427 YYPZQWFSKCPKCM-UHFFFAOYSA-N 346.455 4.758 0 40 EJAB Clc1ccc(COc2ccc(-c3nc4ccccc4[nH]3)cn2)cc1 6586180 WIIJQNUQTLFKSF-UHFFFAOYSA-N 335.794 4.857 0 40 EJAB COc1ccc(C)cc1NC(=O)c1sc(-c2cccs2)nc1C 6789182 WWYJJOVEEWJPEE-UHFFFAOYSA-N 344.461 4.749 0 40 EJAB Cc1cccc(C(C)C)c1NC(=O)CN1CCSc2ccccc21 7493332 MAUGYLSHRYWJRB-UHFFFAOYSA-N 340.492 4.669 0 40 EJAB COc1cc(Cl)c(C)cc1NC(=O)c1ccc(COC(C)C)cc1 7525918 LQIBZISQHQNJER-UHFFFAOYSA-N 347.842 4.834 0 40 EJAB CCc1cccc(CC)c1NC(=O)[C@H](C)Oc1ccc(C)c(C)c1 8040882 GSRRYCOSTSEJGQ-INIZCTEOSA-N 325.452 4.834 0 40 EJAB Cc1c(Cl)c(CN2CCC[C@@H]2c2cccn2C)nc2ccccc12 8945585 VYWSSKWDBADZJP-LJQANCHMSA-N 339.870 4.872 0 40 EJAB Cc1cc(NC(=O)[C@H](SCc2ccccc2)c2ccccc2)no1 12580654 IMGZCUKTZBXODY-GOSISDBHSA-N 338.432 4.596 0 40 EJAB Cc1cccnc1NC(=O)c1sc(-c2ccccc2Cl)nc1C 13733051 JBTQFORNCYVYSA-UHFFFAOYSA-N 343.839 4.728 0 40 EJAB Fc1ccc(COc2ccccc2CNCCc2ccccc2)cc1 16479396 IDVVPZQSBVQCTP-UHFFFAOYSA-N 335.422 4.737 0 40 EJAB CC[C@H](NC(=O)c1ccc(Br)s1)c1ccc(C)cc1 17841587 BNSCLUPUPNWCPK-LBPRGKRZSA-N 338.270 4.700 0 40 EJAB COc1ccc(-c2nc(COc3cccc4ccc(C)nc34)co2)cc1 22842146 ACAFVXHNCNOUOH-UHFFFAOYSA-N 346.386 4.786 0 40 EJAB c1ccc2c(c1)-c1c(sc3sc4ccccc4c13)-c1nnnn1-2 34059271 PHNUEICPXRVIQT-UHFFFAOYSA-N 332.413 4.739 0 40 EJAB Cc1cc(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)c(C)s1 36697724 JAEROQYIJXUUTR-CQSZACIVSA-N 337.897 4.985 0 40 EJAB Cc1ccc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 39860650 QDEGOPUQPWDYCA-GDNBJRDFSA-N 329.808 4.889 0 40 EJAB Cc1cc(C)c2cc(C(=O)N(C)Cc3ccc([C@@H]4C[C@H]4C)o3)[nH]c2c1 58006576 TVAXNUDGNPOJMF-RHSMWYFYSA-N 336.435 4.773 0 40 EJAB CC(C)[C@H]1CCCN1C(=O)c1ccc2noc(-c3ccccc3)c2c1 58406860 HFZQETCTAGYNFG-LJQANCHMSA-N 334.419 4.755 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)COc2ccc(C(C)(C)C)cc2)cc1C 59351184 OIILACQIIYHHMO-QGZVFWFLSA-N 339.479 4.857 0 40 EJAB CCN(C)c1cccc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)c1 69484623 DYDOGPGFZFMZRR-UHFFFAOYSA-N 338.382 4.794 0 40 EJAB c1ccc(-c2nnc(-c3cnc4onc(C5CCCC5)c4c3)o2)cc1 72274989 DNKNMCPPBYNFGG-UHFFFAOYSA-N 332.363 4.597 0 40 EJAB CCN(CC)CCn1c(C(=O)c2ccc(C)cc2)c(C)c2ccccc21 72434031 OTUKQXLWBNDXBN-UHFFFAOYSA-N 348.490 4.831 0 40 EJAB Cc1cc(-n2cnnc2)cc2nc(-c3ccc(Cl)cc3Cl)oc12 73639466 QPDXIKKOYYXDAG-UHFFFAOYSA-N 345.189 4.691 0 40 EJAB O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccc(F)c(F)c1 96170902 FNSXVNHRLKLKKO-UHFFFAOYSA-N 332.228 4.507 0 40 EJAB CCc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2 96586416 QHQVIMYMMOQSCO-INIZCTEOSA-N 337.463 4.842 0 40 EJAB O=C1C[C@@H]2Sc3ccccc3N=C2N1c1ccc(Cl)cc1Cl 102958577 AEZSWNUDTXEHKB-AWEZNQCLSA-N 349.242 4.935 0 40 EJAB CCOP(=O)(OCC)[C@@]1(O)[C@@H]2CCC[C@@H]1[C@@H](C)C1=C2CCCC1 103554963 GVPXFXTZGMNTTH-OKDNKWQNSA-N 342.416 4.878 0 40 EJAB Nc1ccc(C(=O)OC2c3ccccc3-c3ccccc32)c(Cl)c1 216851505 CAQONUJFZRMCRB-UHFFFAOYSA-N 335.790 4.849 0 40 EJAB CC[C@@H](NC(=O)[C@@H](C)Oc1cccc(C)c1C)c1ccc(C)c(C)c1 219310675 NVTKHWSUFFBXQA-UYAOXDASSA-N 339.479 4.955 0 40 EJAB CCc1ccc(CC(=O)NCCCc2cccc3ccccc23)cc1 223025730 YATMEAVBZFQIAP-UHFFFAOYSA-N 331.459 4.694 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)cc1 223652508 ORXNEVYWBCJTTK-IAGOWNOFSA-N 337.463 4.519 0 40 EJAB CCC1(CC)C[C@H](NC(=O)CCc2ccccc2)c2ccccc2O1 223717078 CCAYFHAFLKFHGQ-IBGZPJMESA-N 337.463 4.818 0 40 EJAB Cc1cc(C)cc(OCCNC(=O)CCc2cccc3ccccc23)c1 224106828 JNEUBNURYWCSOE-UHFFFAOYSA-N 347.458 4.584 0 40 EJAB CCCNC(=O)c1ccc(OC)c(COc2ccc3ccccc3c2)c1 224309242 PADQNPAZHWSHQT-UHFFFAOYSA-N 349.430 4.567 0 40 EJAB O=C(O)[C@@H](Cc1cc(Cl)cc(Cl)c1)Oc1ccc(Cl)cc1 225090653 MHBVTNCTZWPUDW-CQSZACIVSA-N 345.609 4.722 0 40 EJAB CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(O[C@@H](C)CC)c(C)c1 225690030 OGQAIXCAZSYWFX-JXFKEZNVSA-N 335.488 4.952 0 40 EJAB CCO[C@]1(C(=O)Nc2ccc(OCC(C)C)cc2)CCC[C@H](C)C1 225713282 RHCJJMDJJAKSJB-OXJNMPFZSA-N 333.472 4.645 0 40 EJAB COc1ccc(NC(=O)C(C)(C)Sc2ccccc2)cc1Cl 225960101 WNDNSUGGLSMJAC-UHFFFAOYSA-N 335.856 4.858 0 40 EJAB Cc1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)c(N)c1 226347852 VTNQMUDIIPBYHP-UHFFFAOYSA-N 326.783 4.743 0 40 EJAB Cc1ccc(C(=O)Nc2ccc3oc(-c4cccnc4)nc3c2)cc1C 77588 SHXHHAGPUPNWHR-UHFFFAOYSA-N 343.386 4.759 0 40 EJAB Clc1ccc(OCc2nnc(SCc3ccccc3)o2)cc1 244658 GCRNUJWCSOGMFD-UHFFFAOYSA-N 332.812 4.594 0 40 EJAB Cc1cc2c(C)ccc(C)c2nc1SCC(=O)N1CCC[C@H](C)C1 412489 KEZBOVOAQYFFDT-ZDUSSCGKSA-N 342.508 4.511 0 40 EJAB CCOc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1OCC 503970 HULKTDLSYKGFRB-UHFFFAOYSA-N 333.815 4.698 0 40 EJAB O=C(c1ccccc1)c1cn(CCOc2ccccc2)c2ccccc12 573694 MWXDUDYJKYNMDR-UHFFFAOYSA-N 341.410 4.951 0 40 EJAB O=C(Nc1ccccc1)[C@@H](c1ccc(Cl)cc1)N1CCCCC1 5647434 OEFLAYGPCRTFNE-GOSISDBHSA-N 328.843 4.506 0 40 EJAB Cn1ccnc1S[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 6369306 NPJFZEDBYHTIHG-IBGZPJMESA-N 347.443 4.618 0 40 EJAB O=C1c2ccccc2N[C@@H](c2ccsc2)N1CCc1ccccc1 7884593 DLQAJYWOUIONRG-LJQANCHMSA-N 334.444 4.557 0 40 EJAB Cc1cccc(C)c1NC(=O)c1cc(-c2ccc(Cl)cc2)on1 11915700 LXIKEKVQCJQGNQ-UHFFFAOYSA-N 326.783 4.864 0 40 EJAB c1ccc(OC2CCCC2)c(CN2[C@H]3CC[C@@H]2c2cccnc2C3)c1 13266950 SHMDXZSSOSXTNJ-LAUBAEHRSA-N 334.463 4.665 0 40 EJAB CC(C)N[P@](=O)(O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C)c1ccccc1 13301218 ADULCGJWFWMRGU-QYUDBREXSA-N 337.444 4.980 0 40 EJAB CCOc1cccc(NC(=O)CCc2ccc(C(C)(C)C)cc2)c1 13669329 MVYYZANEWLDFOA-UHFFFAOYSA-N 325.452 4.954 0 40 EJAB Fc1ccc(NC(=S)Nc2cccc(C(F)(F)F)c2)cc1F 13787571 OCWKFZQJXREPMX-UHFFFAOYSA-N 332.297 4.793 0 40 EJAB CCCCOc1ccc(Br)cc1C(=O)Nc1ccccc1 14649191 ZNUFNIXJYNWOFG-UHFFFAOYSA-N 348.240 4.880 0 40 EJAB COc1ccc2c(c1)CCC1=C2CC[C@@]2(C)C1=CCC[C@@H]2OC(C)=O 16321656 JDNDEPILENCXAF-VXKWHMMOSA-N 338.447 4.847 0 40 EJAB Nc1nc(Br)c2ccccc2c1-c1ccc(Cl)cc1 20405205 MJXHLOFFKVRKJK-UHFFFAOYSA-N 333.616 4.900 0 40 EJAB CCCCCC(=O)Nc1nc2ccc(C(=O)OCCCC)cc2s1 20411453 DEMMQQTVCLNMLA-UHFFFAOYSA-N 348.468 4.772 0 40 EJAB CC[C@H](NC(=S)Nc1ccc(C)cc1C)c1ccc(OC)cc1 20625060 XJHOMNQFQLGIGW-KRWDZBQOSA-N 328.481 4.750 0 40 EJAB Cc1nn(-c2ccccc2)c2c1C(=O)C[C@H](c1ccc(Cl)cc1)C2 20632720 HNYLHKDDPXLELV-OAHLLOKOSA-N 336.822 4.747 0 40 EJAB C[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H]1CCCc2ccccc21 22515134 IZZGWODHWTYIQI-KSFYIVLOSA-N 345.442 4.801 0 40 EJAB Cc1ccc2c(c1)CCCN2C(=O)c1cc2c(F)cccc2s1 22840234 NBANTPXWIKAXJF-UHFFFAOYSA-N 325.408 4.942 0 40 EJAB Cc1ccc(SCCC(=O)NCCSCc2ccccc2)cc1 24606085 GSTLCBJUAVQRHW-UHFFFAOYSA-N 345.533 4.527 0 40 EJAB COc1ccc(Nc2ncnc3ccsc23)cc1OC1CCCC1 25577476 JAKSHVIEEHKQAT-UHFFFAOYSA-N 341.436 4.765 0 40 EJAB O=C(c1cc(F)cc(F)c1)N(Cc1ccccc1)Cc1ccccc1 28210522 SHCIGZFAQKBNNS-UHFFFAOYSA-N 337.369 4.807 0 40 EJAB CC(=O)c1cccc(NC(=O)CSc2cccc3ccccc23)c1 32691297 MJZBQNLRZOKDPG-UHFFFAOYSA-N 335.428 4.773 0 40 EJAB CC(C)c1ccc2c(c1)CCCN2C(=O)c1ccc(C(F)(F)F)nc1 48303808 DQBUPRMRZJTJAT-UHFFFAOYSA-N 348.368 4.817 0 40 EJAB CSc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccncc2)cc1 48367825 RDONTJYXYWFKNP-IBGZPJMESA-N 347.443 4.575 0 40 EJAB Cc1ccc([C@H](C)NC(=O)c2cc3c(Cl)c(Cl)ccc3[nH]2)o1 57991658 LBUAHOQQJGETGQ-VIFPVBQESA-N 337.206 4.867 0 40 EJAB C[C@@H](N[C@H](C)c1ccccc1)C(=O)Nc1cc(Cl)ccc1Cl 58160715 XKLYXBCXPBHGGD-VXGBXAGGSA-N 337.250 4.671 0 40 EJAB CC(C)c1cnc(CSc2nnc(-c3ccccc3Cl)n2C)o1 69617851 JSGNWBFTTDDTIC-UHFFFAOYSA-N 348.859 4.539 0 40 EJAB O=[S@](Cc1cc(-c2ccccc2)on1)Cc1cccc2ccccc12 75495506 VDMRCRXYGZFBOD-RUZDIDTESA-N 347.439 4.944 0 40 EJAB Cc1ccccc1SCC(=O)Nc1ccc(-c2ccccc2)cn1 95365216 MTUBXJWWUXECIT-UHFFFAOYSA-N 334.444 4.788 0 40 EJAB Clc1cccc([C@H]2C=C(c3ccccc3)Nc3ncnn32)c1Cl 101171722 GMFUPBWLQNEHDJ-OAHLLOKOSA-N 343.217 4.641 0 40 EJAB Cc1ccccc1C(=O)N1CCS[C@H](c2ccccc2C)CC1 207003698 BTWCREKBWUAJEK-IBGZPJMESA-N 325.477 4.624 0 40 EJAB CCc1ccc(CC)c(CNC(=O)/C=C/c2ccc(Cl)cc2)c1 224107309 IHYGDDYSVURBCL-XYOKQWHBSA-N 327.855 4.794 0 40 EJAB O=C1c2ccccc2CN1c1ccc(-c2nc3ccccc3o2)cc1 226287188 SAGQTZYFHREIOZ-UHFFFAOYSA-N 326.355 4.655 0 40 EJAB O=NC=C1C=CC=CN1CCCCCCN1C=CC=CC1=CN=O 1857622390 AZBNAGGNLZHEDV-UHFFFAOYSA-N 326.400 4.533 0 40 EJAB COc1cccc(NC(=O)C2[C@H]3CCC=CCCC=CCC[C@H]23)c1 49780 VDKNMAMLBHJZFZ-NFBCFJMWSA-N 325.452 4.963 0 40 EJAB COc1ccc(OCC(=O)NC2CCCCCCCCCCC2)cc1 133411 XXBWPZDQIHQMQG-UHFFFAOYSA-N 347.499 4.864 0 40 EJAB CC[C@H](C)c1ccccc1NS(=O)(=O)c1cccc2cccnc12 205269 KMDWWRICFITKHP-AWEZNQCLSA-N 340.448 4.549 0 40 EJAB CCC(C)(C)c1ccc(OCCOc2ccc(C(=O)O)cc2)cc1 1710098 PNLSOTHPDCGSKD-UHFFFAOYSA-N 328.408 4.530 0 40 EJAB CCCCCOc1ccc(/C=C2\N=C(c3ccccc3)OC2=O)cc1 2066083 QVTYMYMADXTENS-CYVLTUHYSA-N 335.403 4.600 0 40 EJAB Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(OCC(C)C)cc2)c1 2768996 ISKOLJIEWLACDH-KRWDZBQOSA-N 325.452 4.829 0 40 EJAB O=C(NCCOc1ccccc1)c1sc2cc(F)ccc2c1Cl 3503617 ZNLNQELGQKOMCI-UHFFFAOYSA-N 349.814 4.503 0 40 EJAB O=C(O)COc1ccccc1[C@@H]1O[C@H]2CCCC[C@H]2C2=CCCC[C@@H]21 4012238 IUZPOFVYQIAPHI-ZFDALGJYSA-N 342.435 4.507 0 40 EJAB O=C(NCc1ccc(Cl)cc1Cl)c1ccccc1C(F)(F)F 6284606 JPTXMUZNWHRWNU-UHFFFAOYSA-N 348.151 4.942 0 40 EJAB in-vitro CN(C)c1ncnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 6871452 PDEISEDKFFPVGO-UHFFFAOYSA-N 348.837 4.807 0 40 EJAB Cc1ccc(C)c(/N=C/c2c(OCC(=O)O)ccc3ccccc23)c1 8367789 XLONNIOXOBYJRC-WSDLNYQXSA-N 333.387 4.671 0 40 EJAB COc1ccc(N(Cc2cccs2)C(=O)Nc2ccccc2)cc1 8586725 TUQMILXEGONWFP-UHFFFAOYSA-N 338.432 4.995 0 40 EJAB CC[C@H](C)c1ccc(OCCCn2c(CO)nc3ccccc32)cc1 8710272 DCTHJYMQWIVMAD-INIZCTEOSA-N 338.451 4.511 0 40 EJAB O=C(Nc1cccc2cccnc12)c1csc(-c2cccs2)n1 14139414 GESVPTCLSUGWKY-UHFFFAOYSA-N 337.429 4.672 0 40 EJAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)N1CCC[C@@H]1c1cccs1 57381182 ZAFJFOWSYFHMPC-WMLDXEAASA-N 338.476 4.946 0 40 EJAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N[C@@H](C)c1ccc(C)c(C)c1 59351312 KCGNPAKECYHASU-GHTZIAJQSA-N 339.479 4.955 0 40 EJAB Cc1cc(C)c2nc(-c3ccc(N)c(Br)c3)sc2c1 73635431 OVHHYLGPQDQJCA-UHFFFAOYSA-N 333.254 4.925 0 40 EJAB CC(C)Oc1ccc2ccccc2c1/C=C1\SC(=S)N=C1O 78326024 BNQKYMGLLWOABN-DHDCSXOGSA-N 329.446 4.956 0 40 EJAB CC(C)Oc1cccc(NC(=O)COc2cccc3ccccc23)c1 218910358 GLTUPDAWPCOVIB-UHFFFAOYSA-N 335.403 4.645 0 40 EJAB CC(C)(C)SCCNC(=O)c1cccc(OCc2ccccc2)c1 218976393 KBSDPKXBGXIFQZ-UHFFFAOYSA-N 343.492 4.527 0 40 EJAB O=C(Cc1ccc(Cl)cc1F)Nc1ccccc1C(F)(F)F 223160426 HAPHZMWJDLSUDW-UHFFFAOYSA-N 331.696 4.679 0 40 EJAB Cc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1cccc2c1CCCC2 224573018 IKJACWDEDKYRQK-AWEZNQCLSA-N 343.854 4.933 0 40 EJAB CCCCO[C@H](Cc1cc(Cl)ccc1Oc1ccccc1)C(=O)O 225135338 MOOOWZUJCLQXJM-GOSISDBHSA-N 348.826 4.945 0 40 EJAB CC(C)Oc1cccc(NC(=S)NCCSc2ccccc2)c1 225285290 SXIIRCOPNIHOSK-UHFFFAOYSA-N 346.521 4.553 0 40 EJAB Cc1ccc(-c2nnsc2C(=O)Nc2ccc(C(C)C)cc2)cc1 225773856 IJKNSDBXEKQLFJ-UHFFFAOYSA-N 337.448 4.889 0 40 EJAB c1ccc(OCc2nc(SCc3cccc4ccccc34)n[nH]2)cc1 409384474 CNTDXPYWLWAANJ-UHFFFAOYSA-N 347.443 4.829 0 40 EJAB FC(F)(F)Oc1ccccc1[C@@H]1C[C@H]1c1nc(-c2ccccc2)no1 525503381 KPAPGXZZFWTEMJ-UONOGXRCSA-N 346.308 4.906 0 40 EJAB CCc1cc2c(=O)c(-c3ccc(OC(C)C)cc3)coc2cc1OC 190552 CYWOAOZTFXBNRV-UHFFFAOYSA-N 338.403 4.818 0 40 EJAB biogenic O=C(Oc1cccc2ccccc12)c1cc(F)c(Cl)nc1Cl 385092 QNHBCMMOUXKWCR-UHFFFAOYSA-N 336.149 4.900 0 40 EJAB Cc1cccc(OCc2nnc(SC(C)C)n2-c2ccccc2)c1 422440 GUYCKBZEKRKYBS-UHFFFAOYSA-N 339.464 4.655 0 40 EJAB CCN(C(=O)c1cccs1)c1nc(-c2ccc(C)cc2)cs1 932663 FSWSRUCVIBHRMF-UHFFFAOYSA-N 328.462 4.847 0 40 EJAB O=C(CSc1nccn1Cc1ccccc1)c1ccc(Cl)cc1 1440965 PKAMSWYESLLICT-UHFFFAOYSA-N 342.851 4.560 0 40 EJAB O=C(c1cc(F)cc(Cl)c1)c1ccccc1CN1CCCCC1 2515524 PCJRZCVYBQHYIT-UHFFFAOYSA-N 331.818 4.696 0 40 EJAB Cc1ccc(-c2nc3cccnc3s2)cc1NC(=O)c1ccco1 2972351 MWOSQIVULBGUII-UHFFFAOYSA-N 335.388 4.512 0 40 EJAB O=c1oc(Nc2cccc(C(F)(F)F)c2)nc2ccc(Cl)cc12 3135992 FOGMEAVMKBUZNQ-UHFFFAOYSA-N 340.688 4.604 0 40 EJAB Cc1cc(Cl)c(C(C)C)cc1OCC(=O)Oc1ccccc1F 3171251 PITAGEYIQWKANX-UHFFFAOYSA-N 336.790 4.895 0 40 EJAB Cc1ccc(F)cc1NC(=O)COc1ccccc1Cc1ccccc1 3323385 BXCIGCHLZOWJOA-UHFFFAOYSA-N 349.405 4.742 0 40 EJAB Cc1cccc(COc2cc3oc(=O)c4c(c3cc2Cl)CCC4)c1 4038854 BHGJKTGXOUPZAX-UHFFFAOYSA-N 340.806 4.823 0 40 EJAB O=C(Nc1ccc2ccccc2c1)c1ccc(Br)s1 4070205 NDELLDRERIUKOK-UHFFFAOYSA-N 332.222 4.916 0 40 EJAB CC1CCN(C(=S)c2ccc(OCc3ccccc3)cc2)CC1 6202748 IJHRZIOSRHTOOS-UHFFFAOYSA-N 325.477 4.673 0 40 EJAB COc1ccccc1-n1cnnc1S[C@@H](C)c1ccccc1Cl 6534842 PBQLZNHHYJRVRD-LBPRGKRZSA-N 345.855 4.783 0 40 EJAB CCc1ccccc1NC(=O)Cc1csc(-c2cccs2)n1 8315940 ITFBEOPCDKRVDJ-UHFFFAOYSA-N 328.462 4.615 0 40 EJAB O=C(Nc1ccc(Cl)cc1)OCCSc1nc2ccccc2o1 8716944 AJGFGCOFIHCWBP-UHFFFAOYSA-N 348.811 4.822 0 40 EJAB COCc1c(C(=O)N[C@H](c2cccs2)C2CC2)oc2ccccc12 9364694 JZVMUCWSJYCIMQ-KRWDZBQOSA-N 341.432 4.522 0 40 EJAB CC(C)(C)c1ccc(NC(=O)CSc2nc3ccccc3[nH]2)cc1 12616828 QOVJVHOHBABCMU-UHFFFAOYSA-N 339.464 4.591 0 40 EJAB COc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1C 14292013 IYAJYLKTJNDSDM-UHFFFAOYSA-N 343.732 4.928 0 40 EJAB O=Cc1ccccc1OCc1nc2ccccc2nc1-c1ccccc1 16492047 UNEUVTGKODWAOR-UHFFFAOYSA-N 340.382 4.688 0 40 EJAB COc1ccc(C(=O)c2cc3cc(Br)ccc3o2)cc1F 20362313 VNODUVLYOGISEC-UHFFFAOYSA-N 349.155 4.574 0 40 EJAB O=C(NC[C@H]1CC2c3ccccc3C1c1ccccc12)[C@H]1CC=CCC1 23055193 LSNFVEYRUDPOIN-IYXGRNATSA-N 343.470 4.756 0 40 EJAB Cc1noc(C(C)C)c1C(=O)Nc1ccc(SC(F)F)cc1 30445727 HEUZHTBOKWEKNH-UHFFFAOYSA-N 326.368 4.673 0 40 EJAB Cc1c(-c2cc(C(=O)O)n(-c3ccccc3)n2)sc2ccccc12 36627029 YMLMJQZNXRUTBI-UHFFFAOYSA-N 334.400 4.761 0 40 EJAB O=C(CCC(=O)c1ccc(Cl)s1)NC1(c2ccccc2)CCC1 42689258 GSWQNMZOUAQEHJ-UHFFFAOYSA-N 347.867 4.560 0 40 EJAB Cc1ccc(C(=O)N2CCCC[C@@H](c3ccc(F)cc3)C2)cc1F 206875094 SMRMGJSSXRWWAJ-QGZVFWFLSA-N 329.390 4.683 0 40 EJAB Cc1cc(C)c([C@H](C)NC(=O)COc2ccc(Cl)c(C)c2)cc1C 223451480 MMOBOTHMNNGFRQ-INIZCTEOSA-N 345.870 4.830 0 40 EJAB Cc1ccc(O[C@H](C)C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)c(C)c1 223472251 VWCBOQKSBPSOCN-RBUKOAKNSA-N 339.479 4.873 0 40 EJAB Cc1cc(C)c([C@H](C)NC(=O)CSCc2ccccc2F)cc1C 223489235 SLZCVUVTYYKFNE-INIZCTEOSA-N 345.483 4.862 0 40 EJAB COc1ccc(CCCNC(=S)Nc2ccc(C)c(Cl)c2)cc1 225556304 HTWVTRZZZWXHEA-UHFFFAOYSA-N 348.899 4.576 0 40 EJAB COc1cc(C)c(C(=O)N[C@@H](C)c2ccc(C)cc2)cc1C(C)C 225663020 OTOGUWFTLSCMHA-INIZCTEOSA-N 325.452 4.926 0 40 EJAB Cc1ccc(NC(=O)N2CCC(c3ncc(C(C)(C)C)o3)CC2)cc1 227167184 AZQZYDRZLZCILA-UHFFFAOYSA-N 341.455 4.692 0 40 EJAB COc1ccc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)cc1 409057870 LPIVZIRHQNRFGF-GDNBJRDFSA-N 345.807 4.590 0 40 EJAB O=C(Nc1ccc(N2CCCCC2)cc1)c1cccc(C(F)(F)F)c1 1393168 LLQHJFZHYFCHNC-UHFFFAOYSA-N 348.368 4.948 0 40 EJAB Cc1ccc(C(=O)n2cc(-c3ccc(Cl)nn3)c3ccccc32)cc1 1396148 YXZFFKACINLGAD-UHFFFAOYSA-N 347.805 4.749 0 40 EJAB aggregator COc1ccc(NC(=O)NCc2cccc(Oc3ccccc3)c2)cc1 1443418 PGJSWUYUCSFEKE-UHFFFAOYSA-N 348.402 4.809 0 40 EJAB CCCCN(CCCNc1cc(OC)cc2cccnc12)CC(C)C 1656138 HFMAQZFEIQCIQA-UHFFFAOYSA-N 343.515 4.804 0 40 EJAB CCCCOc1ccc(C(=O)OCc2nc3ccccc3s2)cc1 3186558 GMVGPAAYFHQALS-UHFFFAOYSA-N 341.432 4.832 0 40 EJAB COc1ccc(-c2nc(NC(=O)c3cccc(F)c3)sc2C)cc1 3554319 PURMPKWQANBJPM-UHFFFAOYSA-N 342.395 4.519 0 40 EJAB Cc1cc2cc(CNC(=O)c3cccc4ccccc34)ccc2n1C 4061533 VOTRBXSSMONOQL-UHFFFAOYSA-N 328.415 4.570 0 40 EJAB COc1ccc(C)c2sc(NC(=O)c3cccc(Cl)c3)nc12 4330803 WDZQINNBSILJHE-UHFFFAOYSA-N 332.812 4.519 0 40 EJAB O=C(Nc1oc2ccccc2c(=O)c1-c1ccccc1)c1cccs1 5204728 KGKVLNRPZSXBJL-UHFFFAOYSA-N 347.395 4.774 0 40 EJAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(CN2CCCC2)cc1 5996859 ZMKDQRUQTJHQSA-KPKJPENVSA-N 340.854 4.588 0 40 EJAB C[C@@H](OC(=O)c1sc2ccccc2c1Cl)C(=O)c1ccccc1 6267234 ZPKPSGZMLZWQJC-LLVKDONJSA-N 344.819 4.983 0 40 EJAB CC(=O)Nc1ccc(OC(=O)c2cccc(Oc3ccccc3)c2)cc1 7797457 HWUOCZITKQNAJO-UHFFFAOYSA-N 347.370 4.657 0 40 EJAB CC(C)(C)C(=O)Nc1ccc2oc(-c3ccccc3F)cc(=O)c2c1 9659960 DAXMLWXKTKLLLF-UHFFFAOYSA-N 339.366 4.584 0 40 EJAB biogenic Cc1cc(CNC(=O)CCc2ccc(-c3ccccc3)o2)ccc1F 11007356 OCYBSWNQPZYOFJ-UHFFFAOYSA-N 337.394 4.643 0 40 EJAB Cc1ccc(C)c2sc(NC(=O)Cc3ccc(Cl)cc3)nc12 12347690 PCTQWTVXFLBKDV-UHFFFAOYSA-N 330.840 4.748 0 40 EJAB COc1ccc2cc(CN(C)Cc3ccccc3)c(Cl)nc2c1 14672798 OHTHBBOOFBYHMA-UHFFFAOYSA-N 326.827 4.529 0 40 EJAB Cc1ccc(C(=O)CCNc2ccc(Cc3ccncc3)cc2)cc1 15413885 WNPHWBFMTPYFMO-UHFFFAOYSA-N 330.431 4.666 0 40 EJAB Cc1ccc(NC(=O)Nc2nnc(-c3ccc(F)cc3)s2)cc1C 17056350 CKAMUZHMKSVERV-UHFFFAOYSA-N 342.399 4.605 0 40 EJAB Cc1ccccc1[C@@H](C)NC(=O)c1cc(F)c(Cl)cc1Cl 17365720 AYTUGNLQIZMIBN-SNVBAGLBSA-N 326.198 4.932 0 40 EJAB Cc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1 20038737 DSPNBZOUSKFQEJ-DLBZAZTESA-N 333.431 4.793 0 40 EJAB CCOc1cccc(NC(=O)[C@H](CC)Oc2cccc(Cl)c2)c1 20111433 MBXQIBNFHHFCIZ-KRWDZBQOSA-N 333.815 4.535 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)c(C)c1 20486153 IPRDXLHLNDQDMO-RTBURBONSA-N 339.479 4.873 0 40 EJAB C[C@H]1CC(=O)c2c(Nc3ccccc3F)nn(-c3ccccc3)c2C1 20671922 HIODXBMWZFBHLU-CYBMUJFWSA-N 335.382 4.520 0 40 EJAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCc1ccccc1C 22516484 AQVUIIKHKQLMRJ-FQEVSTJZSA-N 333.431 4.622 0 40 EJAB CC[C@@H](NC(=O)/C=C/c1ccccc1Cl)c1ccc(OC)cc1 22531599 LGCMGGCHMNZHJA-LVMGUKCRSA-N 329.827 4.629 0 40 EJAB CC[C@@H](CNC(=O)CCC(=O)c1cc(C)ccc1C)c1ccccc1 23748815 VVEJEGINKKSBPV-SFHVURJKSA-N 337.463 4.576 0 40 EJAB c1ccc(C[C@H](NCc2nc3ccccc3o2)c2ccccc2)cc1 52661529 BYRRTVKAIKZFOE-FQEVSTJZSA-N 328.415 4.901 0 40 EJAB CNc1ccc(Nc2nc(-c3cccs3)nc3ccccc23)cn1 69370096 UGDZGWQIQBLJHT-UHFFFAOYSA-N 333.420 4.539 0 40 EJAB Cc1cccc(C)c1NC(=O)N1CCO[C@H](c2ccccc2Cl)C1 69492752 RCXFORZGERXGSW-KRWDZBQOSA-N 344.842 4.562 0 40 EJAB Cc1cc([C@H]2CCCCN2Cc2ccccc2)cnc1N1CCCC1 72218827 QSFPFLFQKYVMHE-OAQYLSRUSA-N 335.495 4.717 0 40 EJAB c1coc(-c2nnc(CN3CCCC[C@H]3c3cc4ccccc4[nH]3)o2)c1 72629203 LMDGWWTZZPCJBC-KRWDZBQOSA-N 348.406 4.538 0 40 EJAB O=C(N[C@@H]1C[C@H]1c1ccccc1)C1(c2cccc(F)c2)CCCCC1 89828043 NSOCRLVIKLHWEK-VQTJNVASSA-N 337.438 4.700 0 40 EJAB FC(F)(Cl)Oc1c(Cl)cc(Cl)cc1Br 95215546 UZFXODMREJBLIE-UHFFFAOYSA-N 326.351 4.924 0 40 EJAB CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)c2cc(-c3ccc(F)cc3)on2)C1 100616981 ZKJARBOZHNXDQX-QRWLVFNGSA-N 342.414 4.522 0 40 EJAB CCOC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(O)cc1)CC2 103421775 HCKPXPJEYVMSNN-SQFISAMPSA-N 345.398 4.604 0 40 EJAB CCSc1ccccc1NC(=O)COc1ccccc1C(C)C 222811378 IKZLXJBWOLDHAZ-UHFFFAOYSA-N 329.465 4.940 0 40 EJAB COc1ccc(C(=O)N[C@H](C)CC(C)(C)c2ccccc2)cc1Cl 222811396 BKTGWXHLMWCMIX-CQSZACIVSA-N 345.870 4.835 0 40 EJAB CCOc1ccc(C(=O)NC2CCCCCCC2)cc1COC(C)C 224722229 YGIAABZVZXOYIN-UHFFFAOYSA-N 347.499 4.853 0 40 EJAB Cc1nc(-c2ccc(NC(=O)c3cccc4ccncc34)cc2)oc1C 1527860686 IANIOEQAQWLNQW-UHFFFAOYSA-N 343.386 4.759 0 40 EJAB Cc1ccn2c(-c3csc(Nc4cccc(O)c4)n3)c(C)nc2c1 246664 BSRKOYHAJSBCCE-UHFFFAOYSA-N 336.420 4.524 0 40 EJAB Cc1ccc(/C=C/C(=O)Nc2nc3ccc(Cl)cc3s2)cc1 483884 KBULCLYFYBHTBI-RMKNXTFCSA-N 328.824 4.910 0 40 EJAB CC[C@@H](C)Nc1c2c(nc3c(-c4ccccc4)c(C)nn13)CCCC2 2348355 XZHXGFPECHMTOQ-CQSZACIVSA-N 334.467 4.794 0 40 EJAB CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2cc(-c3ccc(F)cc3)on2)C1 2465480 ZKJARBOZHNXDQX-FOIQADDNSA-N 342.414 4.522 0 40 EJAB C[C@H](O)c1nc2ccccc2n1CCCOc1cccc2ccccc12 4385602 MSOCFSWYWMAJSM-INIZCTEOSA-N 346.430 4.712 0 40 EJAB CCn1c(SCc2c(F)cccc2F)nnc1-c1cccc(C)c1 5478621 PNMRDQOCUBVGOZ-UHFFFAOYSA-N 345.418 4.844 0 40 EJAB Cc1ccccc1C(=O)N[C@H]1c2ccccc2Oc2c(C)cccc21 5699076 GNNRIKPXNJRHFY-FQEVSTJZSA-N 329.399 4.929 0 40 EJAB CCOc1cc2c(cc1[C@@H](C)c1ccc(OC(C)C)cc1)OCO2 5841450 QJEWNCFKFZAUEU-AWEZNQCLSA-N 328.408 4.753 0 40 EJAB c1ccc(-c2csc(SCc3nnc(-c4ccco4)o3)n2)cc1 5971711 ZLDUDHMPMAKUAY-UHFFFAOYSA-N 341.417 4.745 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)CSc2ccc(Cl)cc2)cc1C 6123787 XHIPXWXDPGHBAT-CQSZACIVSA-N 333.884 4.926 0 40 EJAB COc1ccc(NC(=O)Cc2coc3c(C)c(C)ccc23)cc1Cl 6809897 UIKCWAZFKXOFDH-UHFFFAOYSA-N 343.810 4.893 0 40 EJAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)c(C)c1 8558762 KQIOKYFAZRKHBG-ZDUSSCGKSA-N 337.341 4.728 0 40 EJAB CC(C)Oc1ccc(NC(=O)[C@@H](C)Oc2ccccc2Cl)cc1 8569245 XSSSZYNYZZUMEO-CYBMUJFWSA-N 333.815 4.533 0 40 EJAB Cc1nc2ccc(NC(=O)Cc3cccc4ccccc34)cc2nc1C 8706241 ONZRLKKWCBSCDL-UHFFFAOYSA-N 341.414 4.581 0 40 EJAB CCCCC1CCC(C(=O)NC[C@H](c2ccco2)N2CCCC2)CC1 8915190 KHBAGKKFBRJIQE-CTWPCTMYSA-N 346.515 4.529 0 40 EJAB COc1ccccc1NC(=O)N(C1=NCCC1)c1cccc(C)c1C 10165963 ULAQDJAOBLNSIP-UHFFFAOYSA-N 337.423 4.543 0 40 EJAB CCc1ccc(CCC(=O)NCCSCc2cccc(C)c2)cc1 10334377 PWPRIDOSYKWBAX-UHFFFAOYSA-N 341.520 4.540 0 40 EJAB C[C@H]1Cc2ccccc2N1C(=O)CSCc1c(F)cccc1Cl 10449677 WXGXBOZTHGKVDK-LBPRGKRZSA-N 349.858 4.690 0 40 EJAB CCOc1ccc(-c2cc(C(=O)Nc3cc(C)ccc3C)no2)cc1 11915169 MORVKTRGTNGTKN-UHFFFAOYSA-N 336.391 4.609 0 40 EJAB CCOc1ccc2nc(SCc3nc4ccccc4s3)[nH]c2c1 12652205 CCJCEZFTVIYEIF-UHFFFAOYSA-N 341.461 4.864 0 40 EJAB COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)Oc1cccc(C)c1C 15366689 SLLBBNGKVPOPLP-AWEZNQCLSA-N 347.842 4.680 0 40 EJAB CCOc1ccc(OCC)c(NC(=O)CSc2ccccc2C)c1 15568199 LRXPSJJTKJHDRP-UHFFFAOYSA-N 345.464 4.523 0 40 EJAB Cc1ccc2cccc(NC(=O)[C@@H](C)Oc3cccc(C)c3C)c2n1 15835260 LIZXPXMSEYLZGQ-MRXNPFEDSA-N 334.419 4.566 0 40 EJAB CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)c(Cl)c2)no1 17067161 XRBOBVIFQOFBIT-UHFFFAOYSA-N 328.199 4.923 0 40 EJAB CC(C)CCN1C(=O)c2ccccc2[C@@H]1N[C@@H]1CCC[C@@H](C)[C@@H]1C 20123504 SDCUDEZNTYGSGW-WOUAJJJCSA-N 328.500 4.601 0 40 EJAB COc1cccc(-c2cn3cc(-c4cccc(Cl)c4)nc3n2C)c1 27117771 UWCRWFSHDOSSDS-UHFFFAOYSA-N 337.810 4.669 0 40 EJAB Cc1ccccc1[C@H](Sc1ncnc2c1cnn2C)c1ccccc1 28190223 NVDFZUHLPHCKSX-GOSISDBHSA-N 346.459 4.553 0 40 EJAB C[C@@H](SCc1c(F)cccc1Cl)C(=O)Nc1ccccc1F 32907782 NSEMJYWEWLCGNP-SNVBAGLBSA-N 341.810 4.879 0 40 EJAB Cc1ccc(C(=O)Nc2sc(S)nc2-c2ccccc2)cc1 35681845 WCHJLOHFNNWBRS-UHFFFAOYSA-N 326.446 4.660 0 40 EJAB FC(F)(F)c1ccc(SCCCc2nc3ccccc3o2)nc1 40154969 KTFGRSMOJSUSGH-UHFFFAOYSA-N 338.354 4.967 0 40 EJAB Cc1ccc(NC(=O)Nc2cccc(F)c2C)c(Br)c1 51354558 LYOQBSXAJUJPGO-UHFFFAOYSA-N 337.192 4.849 0 40 EJAB COc1ccc(NC(=O)Nc2cccc(OC(F)(F)F)c2)c(C)c1 51355914 JAPBEZUWBUGHOX-UHFFFAOYSA-N 340.301 4.546 0 40 EJAB Cc1nc(-c2ccccc2)c(NC(=O)c2cc(F)cc(F)c2)s1 58138579 HHRATSQUQWQWBK-UHFFFAOYSA-N 330.359 4.649 0 40 EJAB Cc1ccc([C@H](C)NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1C 59351196 KOZDZMFSMJSPSX-INIZCTEOSA-N 345.870 4.830 0 40 EJAB c1ccc(COc2ccccc2[C@@H]2NN=C(c3ccccc3)S2)cc1 59409008 FKNWLIURXLGMOJ-OAQYLSRUSA-N 346.455 4.962 0 40 EJAB Cc1[nH]c2ccccc2c1CSc1nnc(-c2ccccc2)n1C 59417498 KETHQPXNQIBFOO-UHFFFAOYSA-N 334.448 4.564 0 40 EJAB O=C(c1ccc2c(c1)COC2)N(CCc1ccccc1)c1ccccc1 64396222 NMNUNDFRCRXMNZ-UHFFFAOYSA-N 343.426 4.606 0 40 EJAB O=C(Nc1ccc(NC2CCCCC2)cc1)C1=Cc2ccccc2OC1 65521214 QREZFUPBAKGENA-UHFFFAOYSA-N 348.446 4.846 0 40 EJAB COc1ccc(NC(=S)Nc2cc(F)ccc2Cl)cc1Cl 71761835 ZUKXCXFPUPUBCM-UHFFFAOYSA-N 345.226 4.950 0 40 EJAB O=C(O)[C@@H](Cc1ccc(Cl)cc1Cl)Sc1ccccc1 225086561 UIKMTZOLQDGGIQ-CQSZACIVSA-N 327.232 4.781 0 40 EJAB CCCOc1c(C)cc(NC(=O)[C@]2(OC)CCC[C@@H](C)C2)cc1C 225638138 HKZOCNWAJWZMPX-VLIAUNLRSA-N 333.472 4.626 0 40 EJAB Cc1cc(C)c(C(=O)NCCSCc2cccc(Cl)c2)cc1C 225640111 GKJPJOCRPOILMI-UHFFFAOYSA-N 347.911 4.928 0 40 EJAB CCOc1cccc2c1Oc1nc(-c3ccccc3)nc(S)c1C2 585148590 KTYPMUFGFLPVRJ-UHFFFAOYSA-N 336.416 4.528 0 40 EJAB O=C(Nc1cccc(OCc2ccc(Cl)cc2)c1)c1cncs1 599817725 UBMYOZMOORXEQL-UHFFFAOYSA-N 344.823 4.628 0 40 EJAB COc1cccc(-c2nc(N(C)CCC3CC3)c3ccccc3n2)c1 1612155239 WAQIYHQSZWXXTR-UHFFFAOYSA-N 333.435 4.542 0 40 EJAB O=C(NCCc1ccc(-c2ccco2)s1)c1c(F)cccc1Cl 2086896888 TWFBRLCEOUBVDO-UHFFFAOYSA-N 349.814 4.773 0 40 EJAB c1csc(-c2nnc(Oc3ccc4c(c3)OCO4)c3ccccc23)c1 91477 GGFMJBNUPJFEDO-UHFFFAOYSA-N 348.383 4.879 0 40 EJAB COc1cccc([C@@]2(C)Nc3ccccc3-c3nc4ccccc4n32)c1 543614 GOFKBYMLZNXKGI-QFIPXVFZSA-N 341.414 4.858 0 40 EJAB Cc1cccc(OCCC(=O)Nc2ccc(SC(F)F)cc2)c1 2653561 CJWUCFIPANEUGJ-UHFFFAOYSA-N 337.391 4.717 0 40 EJAB CCN(CC)c1ccc(NC(=O)c2cc3c(s2)CCCC3)cc1 3226019 WPGCQOZLFKMPJJ-UHFFFAOYSA-N 328.481 4.725 0 40 EJAB O=C(NC1CCCCCC1)c1cccnc1Sc1ccccc1 3332461 HDRBRDNWPACYAG-UHFFFAOYSA-N 326.465 4.685 0 40 EJAB O=C(Cc1c(F)cccc1Cl)Nc1ccc(C(F)(F)F)cc1 6393074 IQDRRCJUWXQRIK-UHFFFAOYSA-N 331.696 4.679 0 40 EJAB CCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(C)cc1 6870032 ICJXBLHNWKYDIM-UHFFFAOYSA-N 328.419 4.828 0 40 EJAB O=C(Nc1cccc(/C=C/c2ccccn2)c1)c1cc(Cl)ccn1 8024485 QGUCZDDYWOJMLD-BQYQJAHWSA-N 335.794 4.553 0 40 EJAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(OC(C)C)cc1 8569219 VAKXLSZZJPNEFM-LJQANCHMSA-N 327.424 4.578 0 40 EJAB Cc1cccc(NC(=O)c2ccc(C3SCCCS3)cc2)n1 8747517 FFSQJRYBXOVVHQ-UHFFFAOYSA-N 330.478 4.511 0 40 EJAB CCCOc1cccc(C(=O)Nc2cc(-c3ccc(C)cc3)no2)c1 8869150 GXZTXFBVXOFBIK-UHFFFAOYSA-N 336.391 4.691 0 40 EJAB CCOCc1c(C(=O)N2CCC[C@H]3CCCC[C@@H]32)oc2ccccc12 9592015 RCTSMESYSJZFNP-QAPCUYQASA-N 341.451 4.764 0 40 EJAB Cc1cc(C)c2nc3c(cc2c1)CN(Cc1ccc(F)cc1)C(=O)O3 12222967 HOZMARPMEXIYAJ-UHFFFAOYSA-N 336.366 4.505 0 40 EJAB Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2-c2ccccc2)c1 13948783 LUKHPTBCWMAVDK-UHFFFAOYSA-N 337.444 4.771 0 40 EJAB CCc1cccc(CC)c1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1 14398846 FJURNDHYQMORGL-CYBMUJFWSA-N 331.843 4.871 0 40 EJAB CSc1ccc(/C=C2\C(=O)Nc3ccc(Br)cc32)cc1 15016163 OOIUIJRCLGTMEK-ZSOIEALJSA-N 346.249 4.664 0 40 EJAB CC1=C(C)c2cccc[n+]2/C1=C\C=C/C=C1\C(C)=C(C)c2cccc[n+]21 31949876 WTSOMBFUKCBEQS-CTRSRADCSA-N 340.470 4.814 0 40 EJAB Cc1ccccc1-c1cc2c(SCc3ccccc3)nccn2n1 38651961 YOSFSVKDBNLENL-UHFFFAOYSA-N 331.444 4.997 0 40 EJAB O=C(Cc1ccc2ccccc2c1)N[C@H](c1ccccc1)C(F)(F)F 59301711 HGLXKXBYVCWSOC-LJQANCHMSA-N 343.348 4.802 0 40 EJAB O=[S@](Cc1cc(-c2ccccc2)on1)Cc1c(F)cccc1Cl 69817356 VGYLVXFAIXWACY-QHCPKHFHSA-N 349.814 4.583 0 40 EJAB CC[C@](C)(NCc1ncc(-c2cccs2)o1)c1nc(C)cs1 72305286 UBBIQTAJWHJHKG-INIZCTEOSA-N 333.482 4.583 0 40 EJAB CC(C)c1nccn1-c1ccc(NC(=O)C[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 104495856 NZHRWYQZVFHTPQ-ZACQAIPSSA-N 337.467 4.761 0 40 EJAB N#Cc1cc(Br)c(-c2ccccc2Cl)nc1Cl 145399012 ZZGRSKZABDMKRP-UHFFFAOYSA-N 327.996 4.690 0 40 EJAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1c(C)cccc1C(C)C 216261969 DBXMQRPSZFRNDV-IBGZPJMESA-N 341.451 4.923 0 40 EJAB CCCC[C@H](CC)CNC(=O)CSCc1cccc(Cl)c1 223404495 IQXVHWNJPHIMDX-AWEZNQCLSA-N 327.921 4.906 0 40 EJAB CC(C)C(NC(=O)c1cc(Br)ccc1Cl)C(C)C 225068571 HSUQNDYJKSIXGF-UHFFFAOYSA-N 332.669 4.513 0 40 EJAB CCCC[C@@H](CC)CNC(=O)[C@H](C)Oc1cccc2c1CCCC2 225115207 IYNYAWQFMVQOML-DLBZAZTESA-N 331.500 4.665 0 40 EJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N1c2ccccc2C[C@H]1C 225488207 NBJDIXGVDXSWAI-OPAMFIHVSA-N 349.474 4.701 0 40 EJAB COc1cc(C)c(C(=O)NCCCc2ccc(F)cc2)cc1C(C)C 225665839 AJOAYSZDYDVUOI-UHFFFAOYSA-N 343.442 4.629 0 40 EJAB Cc1nc(-c2ccc(C(=O)Nc3ccccc3F)cc2)c(C)s1 408579173 DAZYYJFESPKMMY-UHFFFAOYSA-N 326.396 4.818 0 40 EJAB O=C(CCC(F)(F)F)Nc1cc(Cl)c(Br)cc1F 628531113 YNBHXYWSKOZGCW-UHFFFAOYSA-N 348.521 4.523 0 40 EJAB CC(C)(C)c1nn([C@@H]2CCCCO2)c2cc(Br)ccc12 2086896703 QSMMLSXVTLUETM-AWEZNQCLSA-N 337.261 4.795 0 40 EJAB O=C(/C=C/c1cccs1)Nc1ccc(OCc2ccccc2)cc1 3209311 ZSRJROJLYUACPK-OUKQBFOZSA-N 335.428 4.979 0 40 EJAB Cc1ccnc(N[C@H](c2ccccn2)c2c(C)[nH]c3ccccc23)c1 4123462 OJJVDGXAVUMNAV-OAQYLSRUSA-N 328.419 4.776 0 40 EJAB CCCCc1ccc(NC(=O)C(=O)c2c(C)[nH]c3ccccc23)cc1 4163636 AHPRGNPXQUNOFK-UHFFFAOYSA-N 334.419 4.640 0 40 EJAB C[C@H](NC(=O)c1c(F)cccc1Cl)C12CC3CC(CC(C3)C1)C2 5443959 JWIFZZOGENNGBT-NZWMYCLXSA-N 335.850 4.814 0 40 EJAB CC(=O)NCC[C@H]1[C@@H](c2c(C)n(C)c3c2ccc2ccccc23)C1(C)C 5478421 UPSGZPSERZFAKQ-FPOVZHCZSA-N 348.490 4.906 0 40 EJAB C=CC(=O)N1N=C2/C(=C/c3ccccc3)CCC[C@H]2[C@H]1c1ccccc1 5480551 QLWGOOITNIDNOY-VZTOIXCWSA-N 342.442 4.996 0 40 EJAB CCCCC(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1 5614690 FRYWTVQSYJGBMC-UHFFFAOYSA-N 330.815 4.721 0 40 EJAB Cc1ccc(-c2ccc(OCC(=O)N3CCc4ccccc43)cc2)cc1 5750795 DNSUAKQJJGHRBW-UHFFFAOYSA-N 343.426 4.630 0 40 EJAB O=C(NC1CCCCC1)[C@H](Sc1ccccc1)c1ccccc1 5947761 YTQCWMKGQWBLIX-LJQANCHMSA-N 325.477 4.969 0 40 EJAB Cc1cc(Cl)cc(C)c1OCC(=O)N[C@@H]1CCCc2ccccc21 6602577 MRNBNPDCDBSQKU-GOSISDBHSA-N 343.854 4.529 0 40 EJAB O=C(Cc1cccs1)Nc1nc(-c2ccc3c(c2)CCC3)cs1 6851870 GDRZWFMNFCMVFP-UHFFFAOYSA-N 340.473 4.542 0 40 EJAB C[C@H](OC(=O)c1cc(Cl)c(O)c(Cl)c1)c1ccc(F)cc1 7780415 JQFYHJGWSTXDRI-QMMMGPOBSA-N 329.154 4.756 0 40 EJAB COc1cccc(CNCCc2ccccc2)c1OCc1ccccc1 8495507 PDCCOTBOASCRAX-UHFFFAOYSA-N 347.458 4.607 0 40 EJAB O=C(Nc1ccc(Cl)cc1F)c1occc1COc1ccccc1 11425556 TXCJRBWMSCUXDY-UHFFFAOYSA-N 345.757 4.903 0 40 EJAB Cc1cc(C(=O)N2CCC[C@H](c3cc4ccccc4cn3)C2)cs1 12188151 CRKOXEWDJSRIDX-KRWDZBQOSA-N 336.460 4.625 0 40 EJAB COC1(OC)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1 12661477 LLKUOQXUUFDONQ-UDCWSGSHSA-N 334.500 4.587 0 40 EJAB biogenic O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1ccc(Cl)cc1 13208187 DELVZHNUDHGJKX-UHFFFAOYSA-N 349.777 4.796 0 40 EJAB Cc1nc2nc(-c3ccc4ccccc4c3)cc(-c3ccccc3)n2n1 13637424 RTCVFYOSKLONIG-UHFFFAOYSA-N 336.398 4.920 0 40 EJAB Cc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN23)o1 15016214 GCPZHKOWNSMENP-BEFAXECRSA-N 336.416 4.892 0 40 EJAB Clc1ccc(-c2c[n+](Cc3ccccc3Cl)c3n2CCC3)cc1 17205996 KEPXZMAZPCSYCM-UHFFFAOYSA-N 344.265 4.744 0 40 EJAB Cc1cccc(-n2ccnc2SCc2nc3ccccc3o2)c1C 22282088 KASQHTCVPSIMOE-UHFFFAOYSA-N 335.432 4.923 0 40 EJAB CC(C)(C)C(=O)Nc1ccc(-c2csc(-c3ccncc3)n2)cc1 23623472 SMWBVKAFNABSBI-UHFFFAOYSA-N 337.448 4.857 0 40 EJAB OC(COc1cccc2ccccc12)COc1cccc2ccccc12 32222240 PKZXCEVVANTTGF-UHFFFAOYSA-N 344.410 4.812 0 40 EJAB biogenic,in-vitro Cc1ccccc1NC(=O)N1CCC(c2nc3ccccc3o2)CC1 35314097 JJASGRYVRSXVGB-UHFFFAOYSA-N 335.407 4.548 0 40 EJAB Cc1cc2cc(NC(=O)c3ccc(F)cc3Br)ccc2[nH]1 40072685 CRAUNWKDICJLTR-UHFFFAOYSA-N 347.187 4.630 0 40 EJAB Cc1csc(Sc2ccc(NC(=O)N[C@@H](C)C(C)C)cc2)n1 40158649 FGHXBHOGWJASOB-LBPRGKRZSA-N 335.498 4.769 0 40 EJAB C[C@H](NC(=O)Nc1ccccc1-n1cccn1)c1cc2ccccc2o1 48345689 PZLAJHVWJSXWCS-AWEZNQCLSA-N 346.390 4.501 0 40 EJAB CCN(C(=O)COc1ccc(-c2ccccc2)cc1)C1CCCCC1 58142312 BFVZDPWSARWFLS-UHFFFAOYSA-N 337.463 4.914 0 40 EJAB Brc1c(C2C3CC4CC(C3)CC2C4)nc2ccccn12 58420720 DJLAZXAJCAGJIC-UHFFFAOYSA-N 331.257 4.637 0 40 EJAB S=c1oc(-c2ccc(Cl)cc2Cl)nn1CN1CCCCC1 59497991 BTXHAXUGTBYZNU-UHFFFAOYSA-N 344.267 4.623 0 40 EJAB C[C@H]1C[C@H]1c1ccc(CN(C)Cc2coc(-c3cccc(F)c3)n2)o1 84688950 LCNSCOUFSKTQAA-SCLBCKFNSA-N 340.398 4.829 0 40 EJAB Cc1cccc(CN[C@@H](CSC(F)(F)F)Cc2ccccc2)c1 95918320 NXCRBINSWPPNOQ-QGZVFWFLSA-N 339.426 4.949 0 40 EJAB Cc1cc(C)c(/C=C/S(=O)(=O)Nc2c(C)cccc2C)c(C)c1 96137104 RZJPYCNDLFYFGH-MDZDMXLPSA-N 329.465 4.641 0 40 EJAB O=C(O)c1ccc2c(c1)N[C@@H](c1ccccc1)[C@H](c1ccccc1)N2 217675968 IHKRBIZCPIQQSB-PMACEKPBSA-N 330.387 4.705 0 40 EJAB CC[C@H](Oc1ccccc1F)C(=O)N[C@H](CC)c1ccc(C)c(C)c1 219582391 NFPWYHUYJUPVIF-MOPGFXCFSA-N 343.442 4.867 0 40 EJAB CCc1ccc(O[C@H](CC)C(=O)NC(C)(C)Cc2ccccc2)cc1 224647436 KPHGFHAUGGYLAQ-HXUWFJFHSA-N 339.479 4.544 0 40 EJAB CC[C@@H](c1ccc2c(Br)c(OC)ccc2c1)C(C)(C)N 225752165 QVRGKMKHUCZEBL-AWEZNQCLSA-N 336.273 4.842 0 40 EJAB Cc1cc(C)c(NC(=O)c2cc3cc(Cl)ccc3oc2=O)c(C)c1 226042165 GDGAMRRGIAXENA-UHFFFAOYSA-N 341.794 4.624 0 40 EJAB O=C(Nc1ccc(C(F)(F)F)cc1)N1CC[C@H](c2ccsc2)C1 888107097 LQQYAHJBCNXUGS-NSHDSACASA-N 340.370 4.788 0 40 EJAB COc1ccccc1C(=O)N(Cc1ccccc1)c1cccc(C)c1 577179 XESKOCMSFJHAIS-UHFFFAOYSA-N 331.415 4.851 0 40 EJAB O=C(/C=C/c1ccc(Cl)c(Cl)c1)Nc1ccc(F)c(F)c1 2754586 VSPVZPQLTYIYKJ-QHHAFSJGSA-N 328.145 4.924 0 40 EJAB Cc1nc(C)c(-c2ccc(SCc3ccccc3C)nn2)s1 4358360 STPHINHQVXOYAH-UHFFFAOYSA-N 327.478 4.818 0 40 EJAB O[C@H](c1ccccc1)[C@H](c1ccccc1)c1cc(-c2ccccc2)n[nH]1 4771869 WJLBJHCLFOKJBC-DHIUTWEWSA-N 340.426 4.942 0 40 EJAB O=C(OCc1nc2ccccc2s1)C12CC3CC(CC(C3)C1)C2 5126875 URQWYHKYGDHTER-UHFFFAOYSA-N 327.449 4.556 0 40 EJAB Cc1ccc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1 5598801 JXSIURWPTMTZJL-UHFFFAOYSA-N 339.416 4.588 0 40 EJAB Cc1cc(C)c2nc(NC(=O)c3c(F)cccc3Cl)sc2c1 5637460 RNPWOPJAYIVHPF-UHFFFAOYSA-N 334.803 4.958 0 40 EJAB Cc1ccc(NCc2n[nH]c(=S)n2-c2ccccc2)cc1Cl 6533881 ZMWPHFCACAUBNV-UHFFFAOYSA-N 330.844 4.504 0 40 EJAB O=C(CSC[C@H]1CC1(Cl)Cl)Nc1ccc2ccccc2c1 6850498 HBBOMHHSWCFYOF-CYBMUJFWSA-N 340.275 4.705 0 40 EJAB Cc1ccc(NC(=S)N[C@H](C)CCc2ccccc2)cc1Cl 6866312 SPXJJYYHVJPDOK-CQSZACIVSA-N 332.900 4.956 0 40 EJAB Cc1c(C(=O)N(CC(F)(F)F)[C@@H](C)C2CC2)oc2c(F)cccc12 7737645 OONWWFSTMNGFHA-JTQLQIEISA-N 343.320 4.683 0 40 EJAB O=C(NCCCn1ccc2ccccc21)c1cccc(Cl)c1Cl 12517232 ZTOPNPBFZXEOPB-UHFFFAOYSA-N 347.245 4.768 0 40 EJAB Clc1ccc2nc(CSc3cccc4cccnc34)cn2c1 12559158 NJVVJKBLOPLRHM-UHFFFAOYSA-N 325.824 4.828 0 40 EJAB C[C@@H](N[C@H](C)c1ccc2ccccc2c1)C(=O)Nc1cccc(F)c1 12869681 LWWFAARRZYXROW-HUUCEWRRSA-N 336.410 4.657 0 40 EJAB Cc1ccc(C(C)C)c(OCC(=O)N[C@@H](C)c2ccc(F)cc2)c1 15649074 YTYUPWQJSGQKAC-HNNXBMFYSA-N 329.415 4.514 0 40 EJAB O=C(O)COc1ccccc1[C@@H]1O[C@H]2CCCC[C@@H]2C2=CCCC[C@H]21 16037046 IUZPOFVYQIAPHI-DCTVWTRXSA-N 342.435 4.507 0 40 EJAB Fc1ccccc1COc1cccc(CNCc2cccs2)c1 16450084 FCZVQCHXPWBJHE-UHFFFAOYSA-N 327.424 4.756 0 40 EJAB Cc1cccc(C)c1NC(=O)c1ccc(CN2CCC(C)CC2)cc1 20493667 LXSCQEPUSRPLMR-UHFFFAOYSA-N 336.479 4.788 0 40 EJAB C[C@@H](NCc1cnn(Cc2ccccc2)c1)c1cccc2ccccc12 24082710 UFWYSGWVRTWTQO-GOSISDBHSA-N 341.458 4.935 0 40 EJAB Cc1ccc(-c2nnc(CN[C@@H](C)c3ccc(Cl)cc3)o2)cc1 25919888 ZMAYAZBZVFIIKD-ZDUSSCGKSA-N 327.815 4.549 0 40 EJAB CCc1ccc(CN(C(=O)c2cccc(C)c2)c2ccccn2)cc1 27662644 PYTJCUIVMNDBPK-UHFFFAOYSA-N 330.431 4.799 0 40 EJAB O=C(Nc1cccc2ccccc12)c1cc(=O)c2cc(Cl)ccc2o1 27664616 IRXNOXNVOZHRIM-UHFFFAOYSA-N 349.773 4.852 0 40 EJAB c1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN23)cc1 36352212 PPEFRUATYSNLBV-XLIONFOSSA-N 332.428 4.990 0 40 EJAB c1ccn2c(CN3CCCCC3)c(C34CC5CC(CC(C5)C3)C4)nc2c1 39943393 OTGXSOQYLZCKAK-UHFFFAOYSA-N 349.522 4.788 0 40 EJAB Cc1cc2cc(NC(=O)c3cc(F)ccc3Br)ccc2[nH]1 40072684 IYOYOEUSTLFSPJ-UHFFFAOYSA-N 347.187 4.630 0 40 EJAB O=C(NCCCSc1ccccc1)c1ccccc1C(F)(F)F 40160511 VTDSFZZSPCVBKI-UHFFFAOYSA-N 339.382 4.618 0 40 EJAB Cc1ccc(-c2cnc(NCc3ccncc3)nc2-c2ccc(C)o2)o1 72396932 VIWQKZVMNNJYQT-UHFFFAOYSA-N 346.390 4.621 0 40 EJAB CCc1ccc([C@H](C)NC(=O)[C@H](CC)Oc2cc(C)cc(C)c2)cc1 78458425 XUJGYJUPLKBZAS-UWJYYQICSA-N 339.479 4.901 0 40 EJAB O=C(NCc1cc2ccccc2o1)c1cc(Cl)cc2cccnc12 95364809 CCBAICDUBHVYGY-UHFFFAOYSA-N 336.778 4.564 0 40 EJAB COc1ccc(CNC2(c3ccc(Cl)cc3)CCCCC2)nc1 97033732 RLWVSUNIQOKJOO-UHFFFAOYSA-N 330.859 4.693 0 40 EJAB CCCC[Sn](CCCC)(CCCC)OC(C)=O 195995939 PWBHRVGYSMBMIO-UHFFFAOYSA-M 349.103 4.895 0 40 EJAB COc1ccc(Cc2nc3cc(C(C)(C)C)ccc3o2)cc1OC 199797646 MSHOAVUCAXIRHX-UHFFFAOYSA-N 325.408 4.733 0 40 EJAB CCSc1ccccc1NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1 219547378 NEVIJSYPDHAMEG-OAHLLOKOSA-N 329.465 4.821 0 40 EJAB Cc1ccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1 222957438 KFZLNERNBYHTCF-DLBZAZTESA-N 337.463 4.519 0 40 EJAB CC(C)CSc1nnc(NC(=O)c2ccc(C(C)(C)C)cc2)s1 224548793 ALXDKAXPRQUIJJ-UHFFFAOYSA-N 349.525 4.836 0 40 EJAB Cc1ccc(C[C@@H](Oc2ccc(-c3ccccc3)cc2)C(=O)O)cc1 225020352 CZAVIOOHNJAQFP-OAQYLSRUSA-N 332.399 4.737 0 40 EJAB O=C(O)[C@H](Cc1cc(Cl)cc(Cl)c1)Oc1cccc(Cl)c1 225090591 NXHKIQAIRONZAF-AWEZNQCLSA-N 345.609 4.722 0 40 EJAB COC1(C(=O)Nc2ccc(OCc3ccccc3)cc2)CCCCC1 225627957 JGZMDEVNUULBEL-UHFFFAOYSA-N 339.435 4.553 0 40 EJAB CCO[C@](C)(C(=O)Nc1cc(C)c(O[C@H](C)CC)c(C)c1)C1CC1 225725545 JVCRSZGXIAWHDJ-QRWLVFNGSA-N 333.472 4.624 0 40 EJAB O=C1COc2ccc(Cl)cc2N1Cc1c(Cl)cccc1Cl 408608101 VBYMBVCJRPLAKZ-UHFFFAOYSA-N 342.609 4.572 0 40 EJAB Cc1nc2c(-c3ccc(Cl)cc3)cnn2c(N)c1-c1ccccc1 313142 ZOUFBJMGJHLMEH-UHFFFAOYSA-N 334.810 4.607 0 40 EJAB Cc1nc2sc3c(c2c(=O)n1-c1ccc(Cl)cc1)CC[C@H](C)C3 349433 XJXLVMVDTJRBEU-JTQLQIEISA-N 344.867 4.534 0 40 EJAB Cc1ccc2c(c1)-c1cc(C)nn1[C@H](c1c(F)cccc1Cl)N2 382420 OSBPOEQXJAIXEO-GOSISDBHSA-N 327.790 4.932 0 40 EJAB FC(F)(F)c1ccc2nc(-c3ccc(Br)cc3)cn2c1 387407 BOAZGHRSWMFFNM-UHFFFAOYSA-N 341.130 4.783 0 40 EJAB CC(C)c1ccccc1OCC(=O)Nc1ccc(Br)cc1 516670 TXWPOAMQBKDBCY-UHFFFAOYSA-N 348.240 4.590 0 40 EJAB CC[C@]1(C2CCCCC2)Cc2ccccc2-c2[nH]c(=S)[nH]c(=O)c21 5686593 LEXYFSOLVVMROU-HXUWFJFHSA-N 340.492 4.884 0 40 EJAB CCCOc1ccc(-c2csc(NC(=O)c3ccoc3C)n2)cc1 6580773 HAUGVXGPNSXNBS-UHFFFAOYSA-N 342.420 4.753 0 40 EJAB Cc1ccc(C(=O)[C@@H](Sc2ncccn2)c2ccc(C)cc2)cc1 6911428 HVMVRIIXPLHYQD-IBGZPJMESA-N 334.444 4.810 0 40 EJAB CC[C@H](C)c1ccccc1NC(=O)c1ccc(COC(C)=O)cc1 6935993 FLWNLJDXRJGRDF-AWEZNQCLSA-N 325.408 4.516 0 40 EJAB O=C(Oc1ccccc1)N1CCC[C@@H](c2nc3ccccc3s2)C1 7987948 WFAJDZMVRDYIGS-CQSZACIVSA-N 338.432 4.675 0 40 EJAB S=C(NCCC1=CCCCC1)Nc1cccc(Br)c1 8106434 GIFYYRAOKXIHKF-UHFFFAOYSA-N 339.302 4.626 0 40 EJAB C[C@@H](NC(=O)c1oc2ccccc2c1COc1ccccc1)C1CC1 8429774 AOIPCKOBWYIZEK-CQSZACIVSA-N 335.403 4.540 0 40 EJAB Cc1sc2nc(CNc3ccccc3)[nH]c(=O)c2c1-c1ccccc1 8715525 SFTULCYTJFOQSG-UHFFFAOYSA-N 347.443 4.572 0 40 EJAB S=C(NCc1ccc2c(c1)OCO2)c1ccc(-c2ccccc2)cc1 9188149 IQCXACMDZDSQPZ-UHFFFAOYSA-N 347.439 4.548 0 40 EJAB Cc1cc(C)n(-c2ccc(S[C@H](C)c3ccccc3Cl)nn2)n1 11140479 KYQCBKAACJFIFO-CYBMUJFWSA-N 344.871 4.786 0 40 EJAB COc1ccccc1C1(NCc2c(C)nc3c(C)cccn23)CCCC1 12147591 ORJCLWOQZGCKRS-UHFFFAOYSA-N 349.478 4.519 0 40 EJAB Cc1ccsc1-c1nnc2sc(-c3ccccc3Cl)nn12 12389196 BMSFCZPRNOKEJM-UHFFFAOYSA-N 332.841 4.543 0 40 EJAB COc1cccc(NC(=O)NC(c2ccccc2)c2ccccc2)c1 13048427 WPJVDYGAGROLEI-UHFFFAOYSA-N 332.403 4.606 0 40 EJAB COc1cccc(CN[C@H](Cc2ccsc2)c2nc(C)cs2)c1 19240243 DUPWUMSMRWPZPF-QGZVFWFLSA-N 344.505 4.595 0 40 EJAB Cc1csc([C@H](Cc2ccsc2)NCc2ccccc2F)n1 19240250 ITMODUBEGLKBDU-INIZCTEOSA-N 332.469 4.726 0 40 EJAB CCCOc1ccc(C(=O)Nc2c(C)cccc2C)cc1OCC 20935848 QMUSGMZJXCZRQL-UHFFFAOYSA-N 327.424 4.743 0 40 EJAB C[C@@H]1c2ccsc2CCN1Cc1ncc(-c2ccc(F)cc2)o1 22056263 PJMCBJLFDALUCB-GFCCVEGCSA-N 328.412 4.662 0 40 EJAB O=C(/C=C/c1ccco1)Nc1cccc(NC(=O)Nc2ccccc2)c1 23054915 CNAQJGCCXAQGDR-VAWYXSNFSA-N 347.374 4.576 0 40 EJAB Cc1cc(C)c(NC(=O)CN(C)[C@@H]2CCc3ccccc32)c(Cl)c1 29484425 MAWRXXWLIFNTLF-GOSISDBHSA-N 342.870 4.515 0 40 EJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@@H](C)CCc1ccccc1 30858028 JJGCBVKJPBICKJ-ICSRJNTNSA-N 339.479 4.598 0 40 EJAB Cc1nc(-c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)oc1C 33404575 CKHPJKGSXYTLKT-UHFFFAOYSA-N 326.783 4.864 0 40 EJAB Fc1ccc(CN2CC[C@H](c3nc4cc(Cl)ccc4o3)C2)cc1 35442905 FHERDDJXPCXICG-ZDUSSCGKSA-N 330.790 4.610 0 40 EJAB biogenic,in-vitro CC[C@H](NC(=O)[C@H](C)Sc1ccc(OC)cc1)c1ccc(C)cc1 44901682 LVYXDSBSJHASSB-KXBFYZLASA-N 343.492 4.752 0 40 EJAB c1csc(-c2n[nH]c(SCc3csc(C4CCCC4)n3)n2)c1 64023948 DKFOYHWDVJWSPB-UHFFFAOYSA-N 348.522 4.940 0 40 EJAB Cc1ccc2nc(C3CC3)cc(C(=O)N(C)[C@H](C)c3ccncc3)c2c1 95963106 HVFQKMWZQKHEAY-OAHLLOKOSA-N 345.446 4.649 0 40 EJAB C[C@H]1CC[C@](C)(COC(=O)[C@H]2C(=O)[C@]3(C)CC[C@@H]2C3(C)C)C1(C)C 100364108 HCERMHIQIKFMFV-SPYXRDKXSA-N 334.500 4.633 0 40 EJAB C[C@H](N[C@H](c1cc(F)ccc1F)C1CC1)c1ccc([S@](C)=O)cc1 110688592 GNTTXLPMWGIIQE-OCPCCLDUSA-N 349.446 4.504 0 40 EJAB O=C(c1ccccc1Br)c1ccc2c3c(cccc13)CC2 158693607 LQSXOTMQNQWUSP-UHFFFAOYSA-N 337.216 4.932 0 40 EJAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N[C@@H](C)CCc1ccccc1 222990578 ALOYHCHPHIOXRG-RXVVDRJESA-N 339.479 4.598 0 40 EJAB C[C@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccc(F)c(Cl)c1 224309175 ITEAEWCOHSOVII-LBPRGKRZSA-N 347.817 4.764 0 40 EJAB CCc1ccccc1NC(=O)c1ccc(OC)c(COCC(C)C)c1 224447663 GLCZYMFADRFYGY-UHFFFAOYSA-N 341.451 4.683 0 40 EJAB CC[C@H](NC(=O)Nc1cccc(Cl)c1)c1ccc(OC)c(C)c1 225322680 LJYHRJYDDYJATK-INIZCTEOSA-N 332.831 4.930 0 40 EJAB O=C(Cc1ccccc1Cl)N1CCc2cc(-c3ccncc3)ccc21 225638268 NNORAXKURDKUKS-UHFFFAOYSA-N 348.833 4.534 0 40 EJAB Cc1cc(N)ccc1NC(=O)c1ccc(-c2ccccc2Cl)o1 227144608 QLKCVAIKUCTOAF-UHFFFAOYSA-N 326.783 4.743 0 40 EJAB Cc1cc2c(cc1C)N(Cc1ccc(C(=O)O)o1)C(C)(C)C[C@H]2C 260616240 HHHCYBWUZPASFQ-CQSZACIVSA-N 327.424 4.887 0 40 EJAB Cc1ccc([C@@H]2Nc3c(C(=O)O)cccc3[C@H]3[C@H]4CC[C@@H](C4)[C@@H]32)cc1 299879275 KLQWPEILMZRYCO-ZVMONYEMSA-N 333.431 4.990 0 40 EJAB CCCOc1cccc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)c1 408557819 OXSIMPPNSSNSPE-SFHVURJKSA-N 347.867 4.907 0 40 EJAB CCSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(F)cc1 409095500 CWFLDVLYQCUVJU-UHFFFAOYSA-N 333.819 4.839 0 40 EJAB Cc1cccc(-c2ccc(NC(=O)Cc3csc(C4CC4)n3)nc2)c1 1618244681 YJDBMWMBTBXQLM-UHFFFAOYSA-N 349.459 4.572 0 40 EJAB Cc1ccc(-c2ccccc2CNCc2cn3ccsc3n2)c(C)c1 1661164231 CVKVSWJWLGJBFS-UHFFFAOYSA-N 347.487 4.969 0 40 EJAB O=C(/C=C/c1ccccc1)Oc1ccc(OCc2ccccc2)cc1 59458 ZOPAAUUGWRYZRH-LFIBNONCSA-N 330.383 4.884 0 40 EJAB biogenic CCc1nc2sc(C(=O)c3cccc(Cl)c3)c(N)c2cc1C 93863 OYKDMDBNAMTRRH-UHFFFAOYSA-N 330.840 4.634 0 40 EJAB Cc1ccc2c(c1)c1c3n2CCN(C(=O)C2CCCCC2)[C@H]3CCC1 105632 PRRGPTQZLUPJRQ-FQEVSTJZSA-N 336.479 4.750 0 40 EJAB CO[C@]12C=C[C@H](CC1=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c12 478128 JMMYCLRFBMAFBN-OLZXVPHOSA-N 338.017 4.768 0 40 EJAB Nc1ncnc2nc(-c3ccccc3)cc(-c3ccc(Cl)cc3)c12 1016644 MIOUKFWVSFVHPS-UHFFFAOYSA-N 332.794 4.594 0 40 EJAB Cc1ccsc1C(=O)N(CC(C)C)c1nc2ccccc2s1 2648750 MYZLLWVIOSDYBI-UHFFFAOYSA-N 330.478 4.969 0 40 EJAB Cc1ccc(F)cc1NCC(=O)Nc1ccccc1-c1ccccc1 3342072 ZFMBNYQBGOVDQY-UHFFFAOYSA-N 334.394 4.852 0 40 EJAB CCc1cccc(C)c1NC(=O)c1c(F)c(F)c(F)c(F)c1F 6125542 KCZNSNZBSWVAKX-UHFFFAOYSA-N 329.268 4.505 0 40 EJAB Cc1ccc(CSCCNC(=S)Nc2ccc(C)cc2)cc1 7369169 FXWSQDZOADNNNH-UHFFFAOYSA-N 330.522 4.523 0 40 EJAB COc1ccccc1-c1nc(-c2ccc3c(c2)OCCCO3)cs1 8316252 RRUBENFAYAIABO-UHFFFAOYSA-N 339.416 4.647 0 40 EJAB Cc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3)no2)cc1F 11916789 LXCXJBCGUMQSHA-UHFFFAOYSA-N 330.746 4.695 0 40 EJAB Cc1onc(-c2ccccc2)c1C(=O)Nc1ccccc1N1CCCC1 12643819 XCXPMDXAMLGWIG-UHFFFAOYSA-N 347.418 4.503 0 40 EJAB COc1ccc([C@H](NC(=O)CSc2ccccc2C)C(C)C)cc1 12904344 FCVDWFBYSIUYRL-HXUWFJFHSA-N 343.492 4.609 0 40 EJAB Cc1cccc(NC(=O)Cc2nc(-c3ccc(F)cc3F)cs2)c1 14229321 UIYSKYOTVIFJKK-UHFFFAOYSA-N 344.386 4.578 0 40 EJAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1-c1ccccc1 14396191 BSTIMNIZWLQXFB-HNNXBMFYSA-N 335.378 4.899 0 40 EJAB CCc1sc(C(=O)Nc2cc(Cl)c(OC)cc2OC)cc1C 14716472 UBQWWAPOJGSTRN-UHFFFAOYSA-N 339.844 4.542 0 40 EJAB CCc1cccc(CC)c1NC(=O)[C@H]1COc2ccc(Cl)cc2C1 15583821 HZWNPHZFDWRKND-MRXNPFEDSA-N 343.854 4.655 0 40 EJAB Cc1ccc(S[C@H](C)C(=O)NCc2ccc(OC(C)C)cc2)cc1 19932095 ABTMPEUJWJOBDX-MRXNPFEDSA-N 343.492 4.579 0 40 EJAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 20049037 HCADGJSMVLYQCN-HNNXBMFYSA-N 341.304 4.641 0 40 EJAB Cc1ccc(-c2csc(NC(=O)c3cc(Cl)ccn3)n2)cc1C 22570369 GJIUSQHYYNPDIU-UHFFFAOYSA-N 343.839 4.728 0 40 EJAB CC(C)=CC(=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1 22900482 CUBWUIDUAWRTCQ-UHFFFAOYSA-N 340.370 4.657 0 40 EJAB O=C(NC1CCCC1)C1(c2cccc(C(F)(F)F)c2)CCCC1 29568952 SIODCRWUWHGDEI-UHFFFAOYSA-N 325.374 4.576 0 40 EJAB COCc1cccc(C(=O)N[C@@H](c2cccs2)C2CCCC2)c1 32396938 SMHYLNRRSUNGSX-GOSISDBHSA-N 329.465 4.556 0 40 EJAB Cc1ccccc1[C@@H](NC(=O)CCc1ccccc1)c1ccccc1 38753245 ODJVFUDWJISGBK-QHCPKHFHSA-N 329.443 4.833 0 40 EJAB COc1ccccc1NC(=O)c1cc(C)n([C@H](C)c2ccccc2)c1C 40074774 OFYPQXXCUKGPQV-MRXNPFEDSA-N 348.446 4.975 0 40 EJAB CSc1ncccc1C(=O)Nc1ccccc1N(C)c1ccccc1 40114471 ZRTOEQUCOUEMPN-UHFFFAOYSA-N 349.459 4.824 0 40 EJAB Cn1c(-c2ccc(Br)cc2)cnc1SC1CCCC1 44085247 UEJUYAIXLLOBAP-UHFFFAOYSA-N 337.286 4.884 0 40 EJAB COc1ccc(NC(=O)Nc2ccc(C)cc2Br)c(C)c1 51355941 PAYOGLAEYWVRCO-UHFFFAOYSA-N 349.228 4.719 0 40 EJAB CC(C)Sc1ccccc1C(=O)N[C@H]1CCCc2ccccc21 68956778 UYFBUHSHNHAPDD-SFHVURJKSA-N 325.477 4.995 0 40 EJAB FC(F)(F)c1cc(N2CCc3sccc3C2)c2ccccc2n1 95348811 CWVVICKALRSMQA-UHFFFAOYSA-N 334.366 4.878 0 40 EJAB Cc1cc(Br)ccc1C(=O)c1cc(F)cc(Cl)c1 95916217 HIYGVAVFGJNZFN-UHFFFAOYSA-N 327.580 4.781 0 40 EJAB O=C1S/C(=C\c2ccc(F)cc2)C(=O)N1Cc1ccc(Cl)cc1 106686145 AJYNWXRPGXTEMA-DHDCSXOGSA-N 347.798 4.716 0 40 EJAB O=c1[nH]c(-c2ccc(Cl)cc2)nc2sc3c(c12)CCCCC3 136980232 XQXBYDBIGQTQNA-UHFFFAOYSA-N 330.840 4.574 0 40 EJAB CC[C@@H](NC(=O)[C@@H](C)Oc1cccc(C)c1C)c1ccc(C)cc1C 219310813 MOVLIJGNLDLTMS-UYAOXDASSA-N 339.479 4.955 0 40 EJAB Cc1ccc(O[C@H](C)C(=O)N[C@@H](CC(C)C)c2ccccc2)cc1C 219515078 ZMJFEKLMOCMNAV-NQIIRXRSSA-N 339.479 4.974 0 40 EJAB CCOc1ccc(C(=O)N[C@@H](C)c2ccc(C)c(C)c2)cc1Cl 225010609 USBYAUIWHYTYFR-AWEZNQCLSA-N 331.843 4.847 0 40 EJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CCCc2ccccc21 225018453 XBUKOHHBPPODOF-JOCHJYFZSA-N 349.474 4.702 0 40 EJAB CCc1ccc(CC(=O)NC(c2ccccc2)c2ccccc2)cc1 225720966 HFRFTVQYMMZRKK-UHFFFAOYSA-N 329.443 4.697 0 40 EJAB Cc1ccccc1Nc1nc([C@@]2(C)C[C@H](C(C)C)C(=O)O2)cs1 84472 HJRFTQTZRBOHPC-FZKQIMNGSA-N 330.453 4.629 0 40 EJAB Cc1ccc(-c2csc(N[C@@H]3OC(=O)c4ccccc43)n2)c(C)c1 100297 ZTHSHHFQXQCOET-QGZVFWFLSA-N 336.416 4.708 0 40 EJAB CC(C)CC(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1 513713 BHGBOSURSFRUTM-UHFFFAOYSA-N 330.815 4.577 0 40 EJAB CC(C)CN1[C@@H]2CCC[C@@H]1CC(NC(=O)Nc1ccc(Cl)cc1)C2 1369482 PCNLGMFHADPQSV-QZTJIDSGSA-N 349.906 4.503 0 40 EJAB Cc1ccc(/C=C/C(=O)NCCC(c2ccccc2)c2ccccc2)o1 1456894 LBPWEULWODIZHN-CCEZHUSRSA-N 345.442 4.940 0 40 EJAB CC(C)(C)c1ccc(S(=O)(=O)Oc2cccc3ccccc23)cc1 2069671 NLDKXIRXXDXAKD-UHFFFAOYSA-N 340.444 4.905 0 40 EJAB O=C(CSc1c(-c2ccccc2)[nH]c2ccccc12)N1CCCC1 2718343 UAXLLTQZCYUMAS-UHFFFAOYSA-N 336.460 4.549 0 40 EJAB O=C(OC[C@@H]1CC1(Cl)Cl)c1sc2ccccc2c1Cl 3214930 IEJJVKUYIMEVCY-ZETCQYMHSA-N 335.639 4.905 0 40 EJAB Cc1ccc(CSc2nnc(-c3c[nH]c4ccccc34)n2C)cc1 4138462 ADVARNZTOWNOLO-UHFFFAOYSA-N 334.448 4.564 0 40 EJAB Cc1ccc(CSc2ccc3nc(-c4ccccc4)cn3n2)cc1 4251288 ZYWCSNVWAYQMNC-UHFFFAOYSA-N 331.444 4.997 0 40 EJAB Cc1ccccc1-n1c(/C=C/c2ccccc2)nc2ccccc2c1=O 4315249 YBILAVWVXODZMI-FOCLMDBBSA-N 338.410 4.865 0 40 EJAB CC[C@H](C)NCc1cc(Cl)c(OCc2cccs2)c(OC)c1 5019673 YOPWQYPXIUHETA-LBPRGKRZSA-N 339.888 4.877 0 40 EJAB CCCCOc1ccc(C(=O)Nc2cccc3ccc(C)nc23)cc1 11917575 FHQLEEOQCDXVSO-UHFFFAOYSA-N 334.419 4.974 0 40 EJAB CC[C@H](NC(=O)[C@H](C)Oc1cc(C)ccc1C)c1ccc(C)cc1 20457788 LYCRQPALJXVHMM-HKUYNNGSSA-N 325.452 4.647 0 40 EJAB O=c1cc(Oc2ccc(-c3ccccc3)cc2)nc2ccc(Cl)cn12 24985434 FYJDLTACQYFTHE-UHFFFAOYSA-N 348.789 4.807 0 40 EJAB Cc1ccn2c(NC(=O)[C@H]3CC=CCC3)c(-c3ccccc3)nc2c1 32721471 VHBVSDGJZDRGQJ-KRWDZBQOSA-N 331.419 4.605 0 40 EJAB O=C1NC(=O)/C(=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)S1 33557141 WPKURZHZZVWWPN-SDQBBNPISA-N 340.187 4.577 0 40 EJAB O=C(Nc1cccc2ccccc12)[C@H]1CCCN(Cc2ccccc2)C1 38834043 BXBNAPKSDUQTKH-FQEVSTJZSA-N 344.458 4.691 0 40 EJAB COc1ccc2occ(CC(=O)Nc3ccc4ccccc4c3)c2c1 39882416 XZNXUXJIKBAAMG-UHFFFAOYSA-N 331.371 4.776 0 40 EJAB O=C(O)Cc1cccc(-c2nc3cc(-c4ccccc4)ccc3o2)c1 41127429 UXMOSHDPBSEEKW-UHFFFAOYSA-N 329.355 4.789 0 40 EJAB CC(C)Oc1ccc(C(=O)CCCCC2OCC(C)(C)CO2)cc1 43214499 CWTQUCWXZCFPEE-UHFFFAOYSA-N 334.456 4.616 0 40 EJAB c1ccc(-c2ccc(-c3nc4cc(-n5cnnc5)ccc4o3)cc2)cc1 45920374 VJAVGMYYQOTADH-UHFFFAOYSA-N 338.370 4.743 0 40 EJAB O=C(NCc1cccc(O)c1)c1cc2sc3ccccc3c2s1 70017480 WWFRSDQMQSGMLM-UHFFFAOYSA-N 339.441 4.752 0 40 EJAB OC1=Nc2ccsc2[C@H](c2cc(Cl)c3c(c2)OCO3)SC1 71279881 XNEXYGIFQQIDGA-ZDUSSCGKSA-N 339.825 4.554 0 40 EJAB CC(C)c1cc(NC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)no1 76060623 DSIKTYGFCJNIHK-QWRGUYRKSA-N 339.222 4.847 0 40 EJAB Cc1ccc(C)c(O[C@H](C)C(=O)NCc2cccc3ccccc23)c1 222865756 SUBPFMYVKWTDHG-QGZVFWFLSA-N 333.431 4.540 0 40 EJAB COc1ccc(C(=O)NCCC(C)C)cc1CSc1ccccc1 224330102 MOYGQXFUYPCGIT-UHFFFAOYSA-N 343.492 4.763 0 40 EJAB CC1CCN(Cc2ccc(C(=O)NC(C)(C)CC(C)(C)C)cc2)CC1 224330818 WMWZHCDVQCFUIO-UHFFFAOYSA-N 344.543 4.863 0 40 EJAB Cc1cccc(NC(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)c1 225255171 FDQCJCNDZJTIRQ-UHFFFAOYSA-N 327.387 4.791 0 40 EJAB O=C(CCc1ccc(Cl)c(Cl)c1)NCCC1=CCCCC1 225325942 AMLKHLQHKJBSMQ-UHFFFAOYSA-N 326.267 4.933 0 40 EJAB CCOC1(C(=O)Nc2ccc(OC)c3ccccc23)CCCCC1 225830206 RTWRIYFMVVBBGW-UHFFFAOYSA-N 327.424 4.526 0 40 EJAB C[C@H](O)[C@]1(C)CCC2=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C[C@H](O)CC[C@@]12C 253617276 GKVQKZCWVOOFCZ-IAYLWVIVSA-N 332.528 4.841 0 40 EJAB CSCc1cccnc1C(=O)Nc1cccc(C(F)F)c1Cl 589619549 OIZIUJHUYPZUHN-UHFFFAOYSA-N 342.798 4.788 0 40 EJAB CC(=O)Nc1cc(-c2ccc(C)cc2)nn1Cc1cccc(Cl)c1 63527 QNVALTVPXNPQFK-UHFFFAOYSA-N 339.826 4.519 0 40 EJAB Cc1ccc2nc(Cl)c(CN(C(=O)C3CC3)C3CCCC3)cc2c1 412368 PYWWXZUKUHJKTP-UHFFFAOYSA-N 342.870 4.878 0 40 EJAB CC(C)c1ccc(NC(=O)/C=C/c2ccc(Br)o2)cc1 3187860 RNHHBGQJZFTQIV-CSKARUKUSA-N 334.213 4.817 0 40 EJAB COc1cccc2sc(Nc3nc4c(s3)C[C@H](C)CC4)nc12 4121608 BWWANEKEBKYIPD-SECBINFHSA-N 331.466 4.630 0 40 EJAB CCCC(=O)Nc1ccc(C(=O)COc2cccc3ccccc23)cc1 4960771 NDVXCMAHZQKQED-UHFFFAOYSA-N 347.414 4.840 0 40 EJAB C[C@H]1CCCCN1c1ncnc2c1oc1ccc(Br)cc12 5156467 GUMNAUDLBMZBQW-JTQLQIEISA-N 346.228 4.517 0 40 EJAB CCC[C@@H](Nc1ccc(C(F)(F)F)cc1)n1nnc2ccccc21 5310851 LNJAICLCUVFIIX-INIZCTEOSA-N 334.345 4.861 0 40 EJAB CC(C)c1ccc(NC(=O)COc2cccc(Br)c2)cc1 5522916 NDQLZFZSKJMPDY-UHFFFAOYSA-N 348.240 4.590 0 40 EJAB CN1C[C@@H](C(=O)c2ccccc2Cl)[C@H](c2ccc(Cl)cc2)C1 5525686 TZYCOGSJLNLMCK-JKSUJKDBSA-N 334.246 4.522 0 40 EJAB Cc1c(C=O)c2ccccc2n1CC(=O)Nc1cccc2ccccc12 6043929 AGTRHUGOXBBRTM-UHFFFAOYSA-N 342.398 4.554 0 40 EJAB O=C(O)c1c2c(nc3ccccc13)/C(=C/c1c(F)cccc1F)CC2 6047740 YJZBBDOYAMIITI-ZHACJKMWSA-N 337.325 4.698 0 40 EJAB Cc1nc(C(=O)NCc2cccc(Cl)c2)cc2c1[nH]c1ccccc12 6075853 BJMZIQSZZMSHCZ-UHFFFAOYSA-N 349.821 4.608 0 40 EJAB biogenic Cc1cccc(C(C)C)c1NC(=O)COc1cccc2cccnc12 6128002 LCHFLRCYRODNAR-UHFFFAOYSA-N 334.419 4.684 0 40 EJAB CC(C)c1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1 6316115 ZSFFSPPAWYCPTA-UHFFFAOYSA-N 344.263 4.918 0 40 EJAB CCCNCc1cc(Br)ccc1OCc1ccccc1 7262345 UNNUJNAWZXGQJM-UHFFFAOYSA-N 334.257 4.528 0 40 EJAB O=C(Nc1nccs1)c1cc(Cl)ccc1OCc1ccccc1 7699244 JKBIBXMBWSVHIK-UHFFFAOYSA-N 344.823 4.628 0 40 EJAB Fc1cccc(Cl)c1CSc1nc(-c2cccs2)n[nH]1 8343548 ZQVNAFWUVYNGNF-UHFFFAOYSA-N 325.821 4.618 0 40 EJAB CC(C)Oc1cccc(-c2nnc(Nc3ccc(Cl)cc3)[nH]2)c1 8903565 IJMXKIIVPOQTEO-UHFFFAOYSA-N 328.803 4.656 0 40 EJAB CCC1CCC2(CC1)Nc1ccccc1C(=O)N2c1ccc(O)cc1 9422332 JPZQVXRVXMVXAT-UHFFFAOYSA-N 336.435 4.761 0 40 EJAB CCCCc1nc2ccccc2n1CC(=O)Nc1c(C)cccc1C 12657673 WYMKYDGXAWYDQF-UHFFFAOYSA-N 335.451 4.634 0 40 EJAB CCCc1ccc(NC(=O)c2sc(-c3ccccn3)nc2C)cc1 12909797 JLNGSFIRHFWMPM-UHFFFAOYSA-N 337.448 4.718 0 40 EJAB O=C(NCCSCc1ccc(Cl)cc1Cl)C1CCCCC1 13716912 JLTHTCVJDQQZCD-UHFFFAOYSA-N 346.323 4.923 0 40 EJAB C[C@H](SCc1cccc(Cl)c1)C(=O)Nc1ccc(F)c(F)c1 15490534 XFXQLFWGIBIMOU-JTQLQIEISA-N 341.810 4.879 0 40 EJAB CC(C)(C)CC(C)(C)c1ccc(OC[C@@H](O)CNC2CCCC2)cc1 17112790 RCHPIPCVAVNFRE-IBGZPJMESA-N 347.543 4.672 0 40 EJAB COCc1ccc(C(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)cc1 23143652 HBJKOTXXDZIIGZ-QGZVFWFLSA-N 345.442 4.991 0 40 EJAB CN(CC(=O)c1c[nH]c2ccccc12)Cc1ccc2ccccc2c1 25679423 PBSOJECBAHLJDJ-UHFFFAOYSA-N 328.415 4.636 0 40 EJAB CN(CC(=O)Nc1c(Cl)cccc1Cl)[C@H]1CCc2ccccc21 29483242 LAJFWEOTBROKHK-INIZCTEOSA-N 349.261 4.551 0 40 EJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCCc1cccc(C)c1 30853067 YZRMAOBNKWDKFJ-NRFANRHFSA-N 339.479 4.518 0 40 EJAB CCCCC(=O)Nc1ccccc1-c1nc(-c2ccc(F)cc2)no1 32623055 XOIULBLPRRQSPN-UHFFFAOYSA-N 339.370 4.671 0 40 EJAB CN(Cc1ccco1)C(=O)c1cn(Cc2ccccc2)c2ccccc12 32787366 BJIFDLNRDNGHQH-UHFFFAOYSA-N 344.414 4.555 0 40 EJAB CCCC[C@@H](CC)C(=O)N1CCC(c2nc3ccccc3o2)CC1 35672565 DJAZHKUVUVRXCZ-OAHLLOKOSA-N 328.456 4.750 0 40 EJAB COc1ccc(Nc2cc(C)nc3c(C)c(-c4ccccc4)nn23)cc1 40216603 FUZZPBDUAXPWJI-UHFFFAOYSA-N 344.418 4.765 0 40 EJAB c1ccc(CCNc2nc(N3CCCCCC3)c3ccccc3n2)cc1 41149457 ACVXLVCUYYTFQO-UHFFFAOYSA-N 346.478 4.665 0 40 EJAB COc1ccc(COCc2cccc(NC(=O)C3CCCC3)c2)cc1 66283371 UEZRFXAZHVPZJU-UHFFFAOYSA-N 339.435 4.541 0 40 EJAB CCOc1ccc(NC(=O)N(CC)[C@@H](CC)c2ccncc2)c(C)c1 75144126 HAMKBTFRQZNSGQ-IBGZPJMESA-N 341.455 4.794 0 40 EJAB COc1ccc(C(=O)Nc2cccc(C)c2)cc1COc1ccccc1 224084726 UUNOSOKDFAZDHE-UHFFFAOYSA-N 347.414 4.835 0 40 EJAB CCN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(Cl)cc1 224708852 XWYBTDBQQYAETB-UHFFFAOYSA-N 344.263 4.517 0 40 EJAB CC(C)[C@@H](C)NC(=O)c1ccc(OCc2ccccc2Cl)cc1 225210815 LDCFCNYYEBWZSQ-CQSZACIVSA-N 331.843 4.693 0 40 EJAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NC1CCCCCCC1 225566021 HWUBGAZWJRBASU-INIZCTEOSA-N 329.484 4.562 0 40 EJAB CCOc1cccc(-c2nc(O)c3c4c(sc3n2)CCCCC4)c1 408992271 SROGWYSWZCZKDL-UHFFFAOYSA-N 340.448 4.732 0 40 EJAB CCCN1C(=O)S/C(=C\c2cc(C)n(C3CCCC3)c2C)C1=O 409128982 LMTPPDWGYOALBV-WJDWOHSUSA-N 332.469 4.666 0 40 EJAB C[C@H](Nc1ccc(-c2cn3ccccc3n2)cc1)c1cncc(F)c1 537395969 OLWNOZLZGIKDGK-AWEZNQCLSA-N 332.382 4.709 0 40 EJAB CCOc1ccc([C@@H]2S[C@H](C)C(=O)N2c2ccc(Cl)cc2)cc1 35027 NWFNFNKXVZAPCF-XIKOKIGWSA-N 347.867 4.906 0 40 EJAB CCn1c(=O)c(-c2ccc3ccccc3n2)cc2cc(Cl)ccc21 112016 DWWSVMWTENFSPG-UHFFFAOYSA-N 334.806 4.890 0 40 EJAB biogenic,in-vitro Cc1cc(C)cc(OC(=O)COc2ccc(Cl)cc2Cl)c1 129684 XQBJAKGILXZUBS-UHFFFAOYSA-N 325.191 4.595 0 40 EJAB CC1=CC(C)(C)N(S(=O)(=O)c2ccc(F)cc2)c2ccc(C)cc21 169595 JQLBGTXUVGMJRW-UHFFFAOYSA-N 345.439 4.525 0 40 EJAB CN(C)c1ccc(C(=O)Nc2nc3c(ccc4ccccc43)s2)cc1 189359 WXXISWHNBLEABD-UHFFFAOYSA-N 347.443 4.768 0 40 EJAB Cc1ccc(NC(=O)c2ccc(CSc3nccc(C)n3)cc2)cc1 386479 LSMBAMRMFQXUMT-UHFFFAOYSA-N 349.459 4.638 0 40 EJAB Cc1cccc(Nc2ncnc3c2cnn3-c2ccc(Cl)cc2)c1C 426372 ZAEXTZMACMJTBD-UHFFFAOYSA-N 349.825 4.829 0 40 EJAB FC(F)Sc1ccc(NC(=S)Nc2cccnc2Cl)cc1 3381026 BODKYOOKYWHLDW-UHFFFAOYSA-N 345.827 4.859 0 40 EJAB O=C(O)c1c2c(nc3ccccc13)/C(=C/c1ccc(O)cc1)CCC2 3885077 RBZGMDZGZGUXIP-WYMLVPIESA-N 331.371 4.516 0 40 EJAB CCCc1cc(NC2CCCCC2)n2nc3nc(C)cc(C)c3c2n1 5346694 FILPMTBJGJWSQD-UHFFFAOYSA-N 337.471 4.591 0 40 EJAB COc1ccccc1NC(=O)c1ccc(COc2ccc(C)cc2)cc1 6479699 CTWYDRBIWBSZDA-UHFFFAOYSA-N 347.414 4.835 0 40 EJAB Cc1ccc(-n2c(CNc3cccc(Cl)c3)n[nH]c2=S)cc1 6533863 BYLYFTZBGWQRML-UHFFFAOYSA-N 330.844 4.504 0 40 EJAB COc1cccc2c1O[C@H](c1ccco1)N1N=C(c3ccccc3)C[C@H]21 10215571 ZXSMGQXTMYIIMY-DYESRHJHSA-N 346.386 4.531 0 40 EJAB Cc1ccc([C@H](N[C@H](C)C(=O)Nc2ccc(C)c(F)c2)C2CC2)cc1 10351440 CSZYKZMDYFNJRB-QRWLVFNGSA-N 340.442 4.510 0 40 EJAB CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(CC)C2=O)cc1Cl 17299841 ZSLJVQNWQXUPIK-AHEVQNHNSA-N 339.844 4.574 0 40 EJAB CCN(C[C@@H](O)COc1cc(C)ccc1C(C)C)C1CCCCC1 26771294 DTFWRWYCRBOTKA-LJQANCHMSA-N 333.516 4.513 0 40 EJAB CC(C)c1ccc(CN[C@@H](c2ccc(F)cc2)c2nccn2C)cc1 30644495 UANACAUASAAJSX-FQEVSTJZSA-N 337.442 4.562 0 40 EJAB CC(=O)N(CC[C@](C)(c1ccccc1)C1CC1)[C@@H]1CCOC(C)(C)C1 32070658 DIYDHMDCFFPHKX-IFMALSPDSA-N 343.511 4.551 0 40 EJAB Cc1ccc(NC(=O)c2ccc(-c3cccs3)nc2C)cc1F 32197322 KQELXPUBFPIGJL-UHFFFAOYSA-N 326.396 4.818 0 40 EJAB CCCCOc1ccc(C(=O)N2CCSc3ccccc32)cc1 41155188 DPDCDHXOLHKRSW-UHFFFAOYSA-N 327.449 4.618 0 40 EJAB c1ccc(-c2csc(Cc3nc(-c4cccs4)no3)n2)cc1 49006144 YFKDBFTYOUKXAX-UHFFFAOYSA-N 325.418 4.512 0 40 EJAB COc1ccccc1[C@@H](C)N(C)C(=O)Nc1ccccc1OC(C)C 58028678 WDXGAVONPSHQDX-OAHLLOKOSA-N 342.439 4.707 0 40 EJAB C[C@@H]1CCC[C@@H](NC(=O)CSCc2ccc(F)cc2Cl)[C@@H]1C 58162728 IVOQSVZALFSFDG-XHBSWPGZSA-N 343.895 4.653 0 40 EJAB Cc1ccc(C)c([C@H](C)NC(=O)COc2ccc3ccccc3c2)c1 59351450 ZLEKRYUNXIGVHQ-KRWDZBQOSA-N 333.431 4.713 0 40 EJAB COc1ccc(NC(=O)/C=C/c2cc3cc(Cl)ccc3o2)cc1 67339186 VHPYUEIFQCMLOR-VQHVLOKHSA-N 327.767 4.747 0 40 EJAB CCCCNc1ncccc1[C@H]1CCCCN1C(=O)c1ccccc1 72213635 BVFMXNKYKHQQKF-LJQANCHMSA-N 337.467 4.661 0 40 EJAB Cc1cc([C@@H]2CCCN2C(=O)OCc2ccccc2)c[nH]c1=S 72218255 FSYAKJATUCHKKD-INIZCTEOSA-N 328.437 4.526 0 40 EJAB Cc1cccc(CSc2nnc(COc3ccccc3Cl)o2)c1 75340853 BHSPYMBABSENAM-UHFFFAOYSA-N 346.839 4.903 0 40 EJAB Cc1nnc([C@H](C)Nc2cccc(-c3nc4ccccc4s3)c2)o1 79029503 KAZIMPIJAYFFPC-NSHDSACASA-N 336.420 4.828 0 40 EJAB C[C@]12CO[C@]3(C(=O)Nc4c(Cl)cccc4Cl)C[C@@H]1CC[C@@]23C 100983378 MCHMORSMZAVMGJ-KRTOXCLKSA-N 340.250 4.527 0 40 EJAB CCCC[C@@H](CC)CNC(=O)CCc1ccc(OCC)c(OCC)c1 224393955 LKGIVBIKLYEQED-QGZVFWFLSA-N 349.515 4.749 0 40 EJAB CCOc1ccc(C(=O)Nc2ccc(C)cc2C)cc1COC(C)C 224714671 WWRFZWDSCABWBC-UHFFFAOYSA-N 341.451 4.879 0 40 EJAB CCCC[C@@](C)(OC)C(=O)Nc1ccc(OCC)c(C(F)(F)F)c1 225799341 BKRPXZNEIHHGRA-MRXNPFEDSA-N 347.377 4.638 0 40 EJAB C[C@H](Cc1cc2ccccc2o1)NC(=O)NCc1ccc(Cl)cc1 244986223 JLGNAPSBQWLXGJ-CYBMUJFWSA-N 342.826 4.517 0 40 EJAB CC(C)c1nc2ccc(Br)cn2c1NC1CCCCC1 319897 ZKHSCOBAPYADKD-UHFFFAOYSA-N 336.277 4.965 0 40 EJAB Cc1ccc2nc(-c3ccc(N(C)C)cc3)c(NC3CCCC3)n2c1 417912 HDAXZUMKDUJFLV-UHFFFAOYSA-N 334.467 4.730 0 40 EJAB Cc1cccn2c(NC[C@@H]3CCCO3)c(-c3ccc(Cl)cc3)nc12 904166 MEJHUYYSCXHHKT-INIZCTEOSA-N 341.842 4.554 0 40 EJAB CCN1C(=O)S/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C1=O 1124616 OHENZLJHZPKPKB-ZROIWOOFSA-N 333.796 4.656 0 40 EJAB O=C(OCCN1CCCCCC1)[C@H](c1ccsc1)C1CCCCC1 1638266 MMNICIJVQJJHHF-IBGZPJMESA-N 349.540 4.831 0 40 EJAB in-man CCCCN(CCNc1cc(OC)cc2cccnc12)[C@H](C)CC 1656150 HQNULEHJYXEBBF-MRXNPFEDSA-N 329.488 4.556 0 40 EJAB COC(=O)c1cc(-c2ccccc2)c2nsnc2c1-c1ccccc1 2184617 JEMGULYVPOEARW-UHFFFAOYSA-N 346.411 4.812 0 40 EJAB CC[C@H](C)c1ccc(NC(=O)COC(=O)CCC2CCCC2)cc1 3217136 RPAOOTSPWBUINJ-HNNXBMFYSA-N 331.456 4.652 0 40 EJAB Cc1ccc(C)c(-c2csc(NC(=O)c3ccc(F)cc3F)n2)c1 3350563 RUJOMUYMMHPINI-UHFFFAOYSA-N 344.386 4.957 0 40 EJAB O=C(Nc1ccccc1)c1ccc(COc2ccc(Cl)cc2)o1 5032745 ZBKLZWMOMMMCJZ-UHFFFAOYSA-N 327.767 4.764 0 40 EJAB O=C(CCSc1ccccc1)Nc1ccc(OC(F)(F)F)cc1 6431026 PNTVENSBORMVOL-UHFFFAOYSA-N 341.354 4.706 0 40 EJAB CC(C)CC(=O)Nc1c(C(=O)c2ccc(F)cc2)oc2ccccc12 6615889 WNCRBPVQFXVFDX-UHFFFAOYSA-N 339.366 4.788 0 40 EJAB Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)N2CCCCCC2)c1 7377992 GYGIQUSJQTVWIS-NRFANRHFSA-N 336.479 4.859 0 40 EJAB Cc1nc(-c2ccc(CNC(=O)c3ccc(C)c(F)c3)s2)cs1 7821684 LODIPKWOYHACFI-UHFFFAOYSA-N 346.452 4.558 0 40 EJAB S=C(NCCSCc1ccccc1)Nc1ccc(Cl)cc1 7971046 HEEHJKGLGPXSNX-UHFFFAOYSA-N 336.913 4.560 0 40 EJAB Cc1ccc(Cl)c(OCC(=O)N[C@@H](C)c2cc3ccccc3o2)c1 8238687 AIKGCSYKGZVRAY-ZDUSSCGKSA-N 343.810 4.651 0 40 EJAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1cccc2cccnc12 8429522 UAADWEWJTGPFLC-UHFFFAOYSA-N 346.386 4.529 0 40 EJAB Cc1ccc(NC(=O)[C@H](Sc2ccccn2)c2ccccc2)cc1 8705204 UJAVGWONIKDEOS-LJQANCHMSA-N 334.444 4.862 0 40 EJAB Cc1cc(S[C@@H](C)C(=O)N(C)c2ccccc2)nc2ccccc12 9322691 UIWFJRAJDZKHAA-HNNXBMFYSA-N 336.460 4.687 0 40 EJAB Cc1ccccc1NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 12618372 JCFANKROVRWNJN-UHFFFAOYSA-N 340.810 4.875 0 40 EJAB CC(C)c1ccc(-c2nc(C(=O)N(C)Cc3ccco3)cs2)cc1 12911493 CMOKSZSBPRJMKJ-UHFFFAOYSA-N 340.448 4.799 0 40 EJAB Cc1ccc2cc3c(nc2c1C)O[C@@H](C)CN(CCc1ccccc1)C3 13561590 VLDMRCXQMXXOPC-KRWDZBQOSA-N 346.474 4.677 0 40 EJAB Cc1sc(NC(=O)c2ccc(Cl)nc2)nc1-c1ccc(F)cc1 14911217 QGSNVFKIFIZCTQ-UHFFFAOYSA-N 347.802 4.558 0 40 EJAB COc1ccc(CC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cc1F 14934180 HHDBOPNHSURBFY-UHFFFAOYSA-N 347.389 4.587 0 40 EJAB Fc1cccc(F)c1NC(=S)Nc1cccc(C(F)(F)F)c1 19075142 LQWVNNQGXIZWKD-UHFFFAOYSA-N 332.297 4.793 0 40 EJAB CCOc1ccc([C@@H](C)NC(=O)[C@@H](C)SCc2ccccc2)cc1 20041160 ZBJJTEQFXNORSQ-HZPDHXFCSA-N 343.492 4.584 0 40 EJAB Cc1cccc(-n2nc(C)c3c2C[C@H](c2ccccc2C)CC3=O)c1 20632899 ONDQLKCOITYNEO-KRWDZBQOSA-N 330.431 4.710 0 40 EJAB CC1=CC(C)(C)Nc2c(C(=O)N3CCCc4ccccc43)cccc21 20800303 QSOWMOKPSBLZPM-UHFFFAOYSA-N 332.447 4.887 0 40 EJAB C[C@H](Sc1cc(F)ccc1F)C(=O)Nc1cccc2ncccc12 26997015 CNOLANNRVPSENQ-NSHDSACASA-N 344.386 4.632 0 40 EJAB CCc1cccc(C)c1NC(=O)[C@H](CC)Oc1cc(C)ccc1C 30758356 KZRHTZCCZTWREJ-SFHVURJKSA-N 325.452 4.970 0 40 EJAB CCOC(=O)CCCCCC(=O)c1ccc(SC)cc1Cl 43214387 BUKOPJMMKQGXCC-UHFFFAOYSA-N 328.861 4.758 0 40 EJAB CC(C)Oc1ccc(NC(=O)c2cnc(C(C)(C)C)s2)c(F)c1 52019969 DHBQPBCDLJWRDS-UHFFFAOYSA-N 336.432 4.619 0 40 EJAB COc1ccc(NC(=S)Nc2ccc3c(c2)CCC3)cc1Cl 53515524 LTCMLQSLMUJRGH-UHFFFAOYSA-N 332.856 4.646 0 40 EJAB CCn1ccc2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc21 60189747 UWRQYCXPUFVFFQ-UHFFFAOYSA-N 332.325 4.932 0 40 EJAB Cc1cccc([C@H]2CCCN2C(=O)Cc2ccc(-n3cccc3)cc2)c1 71818530 GBXOSMFYXMQBLA-JOCHJYFZSA-N 344.458 4.692 0 40 EJAB CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(F)cc(F)c1 71844337 XKTUJWNLQILUCO-RBUKOAKNSA-N 329.390 4.763 0 40 EJAB CCOc1ccc(C(=O)Nc2c(C)cccc2Cl)cc1OCC 78551738 OCISNHYLJYBEBF-UHFFFAOYSA-N 333.815 4.698 0 40 EJAB CCOc1cc(C=O)c(Cl)cc1OCc1cccc(Cl)c1 95094987 VXFHNPXBRUQLPI-UHFFFAOYSA-N 325.191 4.784 0 40 EJAB COc1ccc2cc(C(=O)c3cccc(Br)c3)ccc2c1 95917118 HWJRYCPFSYCANI-UHFFFAOYSA-N 341.204 4.842 0 40 EJAB CCn1c([C@@H](C)Nc2ccnc(-c3ccccc3)n2)nc2ccccc21 95947910 ORIXRSUIKHYACK-OAHLLOKOSA-N 343.434 4.686 0 40 EJAB Cc1ccc(C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)c2ccc(C)cc2)cc1 104141567 FHGLVZYTICFTPF-XSDIEEQYSA-N 330.427 4.807 0 40 EJAB CCOc1cccc(NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c1 113945467 OLNQAFTWAKHAGW-OAHLLOKOSA-N 335.403 4.645 0 40 EJAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4C[C@@H](C)C(=O)[C@@]4(C)CC[C@@H]32)C1 118915061 KXXNUNSCEDGUDA-YEMVKRNOSA-N 346.511 4.776 0 40 EJAB O=C(CCc1ncc(-c2ccccc2)o1)NC1CCCCCCC1 140642672 LINHLFWUADUXIY-UHFFFAOYSA-N 326.440 4.503 0 40 EJAB O=C(NCc1cncc(-c2ccsc2)c1)c1ccc(F)cc1Cl 206943439 RBCRCMGLTNJMAH-UHFFFAOYSA-N 346.814 4.533 0 40 EJAB Cc1ccccc1NC(=O)N1CCS[C@@H](c2ccccc2)CC1 211144990 XLMMWGROFMLHNC-GOSISDBHSA-N 326.465 4.707 0 40 EJAB COc1ccc(CCC(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1C 223497009 HLOPGCQLDYMMTE-GOSISDBHSA-N 339.479 4.739 0 40 EJAB CCCNC(=O)c1ccc(OC)c(COc2ccccc2C(C)C)c1 224225547 FUFQYIWIKOPKSY-UHFFFAOYSA-N 341.451 4.537 0 40 EJAB Fc1ccc(NC(=S)NCCCc2ccccc2Cl)cc1F 225540953 PUPGSOOKWLOADE-UHFFFAOYSA-N 340.826 4.537 0 40 EJAB Cc1ccccc1CSCCNC(=O)c1ccc2c(c1)CCCC2 225627549 FAVUUEMOZINAEU-UHFFFAOYSA-N 339.504 4.537 0 40 EJAB CCCOc1ccc(NC(=O)[C@](C)(CC(C)C)OCC)cc1Cl 225691273 WPLWUWNNZGIOCH-SFHVURJKSA-N 341.879 4.909 0 40 EJAB Cc1cc(N)c(NC(=O)c2ccc(-c3ccccc3F)o2)cc1Cl 226348287 NXPYEEOQPLRFLT-UHFFFAOYSA-N 344.773 4.882 0 40 EJAB Cc1cccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)c1 245380842 PFBQDCGPGMFALE-IFCUIPEHSA-N 333.431 4.990 0 40 EJAB O=C(CCCCCBr)c1ccc(Br)s1 382697001 BGHGXGUZUWHKNO-UHFFFAOYSA-N 340.080 4.649 0 40 EJAB O=C(Nc1ccccc1C(F)(F)F)c1ccc(N2CCCC2)cc1 408677405 QHITWZIBCONHCL-UHFFFAOYSA-N 334.341 4.558 0 40 EJAB CC[C@H](Nc1cc(C(F)(F)F)nc(C)n1)c1cc(F)ccc1F 564460374 AKVPRIAJBHFESK-LBPRGKRZSA-N 331.288 4.645 0 40 EJAB O=C(NCCc1ccc(-c2ccsc2)s1)c1ccc(F)c(F)c1 575414102 VHJNAPMLYGMCTE-UHFFFAOYSA-N 349.427 4.727 0 40 EJAB Cc1ncsc1-c1ccc(CNC(=O)c2ccoc2C2CC2)cc1 606444876 JANDLLVZYNBGLD-UHFFFAOYSA-N 338.432 4.519 0 40 EJAB Cc1ccc(C(=O)COc2ccc(NC(=O)c3ccccc3)cc2)cc1 107882 WNYOCFPPSLLUAN-UHFFFAOYSA-N 345.398 4.509 0 40 EJAB CCc1nc(-c2ccc(OC)c(C)c2)cc2cc(OC)c(OC)cc12 485555 IWBGSZKROQWPJQ-UHFFFAOYSA-N 337.419 4.798 0 40 EJAB biogenic CC(=O)c1cccc(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)c1 1937282 NRZNKFIBRUNKOR-SOFGYWHQSA-N 334.202 4.848 0 40 EJAB CCC(C)(C)c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1 2648822 IMOWDTMKANPATL-INIZCTEOSA-N 325.452 4.630 0 40 EJAB S=C(Nc1ccccc1)NN1c2ccccc2CCc2ccccc21 3107186 YJSAXLCWKHERSL-UHFFFAOYSA-N 345.471 4.825 0 40 EJAB biogenic Cc1ccc2c(c1)C(c1ccc(C)o1)=NNC(c1ccc(Cl)cc1)=N2 4168619 XZTXLNYTSYFPOU-UHFFFAOYSA-N 349.821 4.984 0 40 EJAB Cc1cc(OCc2cccc(Cl)c2)c2c3c(c(=O)oc2c1)CCC3 4746071 DWTHRNFMUYOVTI-UHFFFAOYSA-N 340.806 4.823 0 40 EJAB Cc1cc2c(cc1C)[C@@H](c1ccc(C)c(Br)c1)CC(=O)N2 4912336 RKRNPIKBOSLFJU-CQSZACIVSA-N 344.252 4.848 0 40 EJAB FC(F)(F)c1c2c(nn1-c1nc3ccccc3s1)CCCCC2 5274964 KATYYFMWVNGQOJ-UHFFFAOYSA-N 337.370 4.770 0 40 EJAB CC(C)c1ccc(C(=O)OCC(=O)c2ccc3c(c2)CCCC3)cc1 5407556 XRARAEIIFDHCNS-UHFFFAOYSA-N 336.431 4.729 0 40 EJAB CCCOc1cccc(OCC(=O)Oc2ccc3ccccc3c2)c1 7262776 WAIUQCISZIOWIY-UHFFFAOYSA-N 336.387 4.613 0 40 EJAB CCCN1C(=O)c2ccccc2N[C@H]1c1cccc(C(F)(F)F)c1 7886475 OJBPVOJRUNCPJD-MRXNPFEDSA-N 334.341 4.682 0 40 EJAB COc1cc(CNC2CCCCC2)ccc1OCc1ccccc1F 8472237 OMAUKJBVEAASOQ-UHFFFAOYSA-N 343.442 4.836 0 40 EJAB COc1ccc(-c2csc(NC(=O)c3ccc(C)c(F)c3)n2)cc1 9909300 JRIHMDQTLDAIOA-UHFFFAOYSA-N 342.395 4.519 0 40 EJAB Cc1ccc(C(=O)NCCCCOc2ccc(Cl)cc2)c(C)c1 11084745 FQFKLXOZSXDCEN-UHFFFAOYSA-N 331.843 4.546 0 40 EJAB O=C(c1cccc(Cl)c1)N(Cc1cccs1)c1ccccn1 11916529 AKHLZTNNGWPOKS-UHFFFAOYSA-N 328.824 4.644 0 40 EJAB C[C@H](SCc1cccc(Cl)c1)C(=O)Nc1ccc(F)cc1F 12591737 JNZOLBLDNCANHC-JTQLQIEISA-N 341.810 4.879 0 40 EJAB Cc1noc(C)c1Cc1ccc(C(=O)Nc2cccc(Cl)c2C)o1 13641048 WBCRHXOIOVOLMA-UHFFFAOYSA-N 344.798 4.689 0 40 EJAB COc1ccccc1/C=C/C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 13669653 MJTHBFAPMKVOJX-STTHAQSSSA-N 337.463 4.883 0 40 EJAB CC(=O)Nc1cccc(C(=O)Nc2ccccc2-c2ccccc2)c1 15643827 RWCOXSWOCPORRU-UHFFFAOYSA-N 330.387 4.564 0 40 EJAB CCCCOc1ccc(NC(=O)c2ccccc2C)c2cccnc12 15841056 PNVSCAJBOQKRFT-UHFFFAOYSA-N 334.419 4.974 0 40 EJAB Fc1ccccc1CCNCc1cccc(OCc2ccccc2)c1 16480717 HKCDWFSBXIVOBU-UHFFFAOYSA-N 335.422 4.737 0 40 EJAB CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cccs2)N3)C1 17085843 ILUKGCHBTXYZLP-ZUZCIYMTSA-N 346.521 4.815 0 40 EJAB O=C(Cc1ccc2ccccc2c1)N(Cc1ccccc1F)C1CC1 19296164 OIVRCDGYFGOILE-UHFFFAOYSA-N 333.406 4.713 0 40 EJAB c1ccc(CCNc2ccc(OCCOc3ccccc3)cc2)cc1 19738242 AFIMBALRGKFWRY-UHFFFAOYSA-N 333.431 4.799 0 40 EJAB O=C(Nc1nc(C2CC2)cs1)c1ccccc1Cc1ccccc1 25560781 ICJMSABHPYFROY-UHFFFAOYSA-N 334.444 4.864 0 40 EJAB CCCCC(=O)N(C)[C@@H](c1cccs1)c1c[nH]c2ccccc12 27989123 SAKMLKYCBRFUIT-LJQANCHMSA-N 326.465 4.967 0 40 EJAB Fc1cccc(-c2nc(CN3CCC[C@H]3c3cccs3)co2)c1 28962561 GDLCKFXNVQKBBM-INIZCTEOSA-N 328.412 4.879 0 40 EJAB CC(C)(C)c1ccc(OCCNC(=O)c2c(F)cccc2Cl)cc1 32722447 MUZYPYJXJKOZJP-UHFFFAOYSA-N 349.833 4.585 0 40 EJAB CC[C@H](C)Nc1cc(C)nc2c(C)c(-c3cccc(Cl)c3)nn12 40216730 JBOGSNBMKBGUKC-NSHDSACASA-N 328.847 4.877 0 40 EJAB CSc1cc(-c2csc(-c3ccncc3)n2)ccc1NC(C)=O 58003520 JAGCSNQMGYGIKD-UHFFFAOYSA-N 341.461 4.552 0 40 EJAB CC(C)[C@H]1CCCN1C(=O)CCc1ncc(-c2ccccc2Cl)o1 71829979 JWMHKBPXMCJJIH-MRXNPFEDSA-N 346.858 4.575 0 40 EJAB C[C@H](Cc1nc2ccccc2s1)NC(=O)Nc1ccccc1Cl 84641009 RRPDGBNUQDOFTF-LLVKDONJSA-N 345.855 4.702 0 40 EJAB Cc1ccccc1NC(=O)NCc1sc(-c2cccs2)nc1C 85470972 KVLAEDIJNWRNHB-UHFFFAOYSA-N 343.477 4.810 0 40 EJAB O=C(O)c1cn(C(=O)c2cccc3c(Cl)cccc23)c2ccccc12 216951018 JURXPUCERIAGQU-UHFFFAOYSA-N 349.773 4.835 0 40 EJAB CC[C@H](NC(=O)Cc1ccc(Cl)cc1F)c1ccc(C)cc1C 223722002 AQORFHMJOMDWPJ-SFHVURJKSA-N 333.834 4.906 0 40 EJAB CC(C)C(=O)N1CCCC[C@@H]1c1nnc(-c2ccc3ccccc3c2)o1 521393924 JYTUJJPJSHITIF-GOSISDBHSA-N 349.434 4.599 0 40 EJAB O=C(Cc1ccccc1)c1ccc(COc2cc(F)ccc2F)cc1 575358449 WLASWLAFXQAGAM-UHFFFAOYSA-N 338.353 4.969 0 40 EJAB C[C@@H]1C[C@H]1c1ccc(CCC(=O)NCc2ccc(-c3ccccc3)o2)o1 614967921 HIAWTFOFBLPZJI-DNVCBOLYSA-N 349.430 4.912 0 40 EJAB C[C@]12C[C@@H](c3ccccc3)N(C3CCCCC3)[C@H]1CCCCC(=O)N2 2037834653 ZKFVXMWIVVLCKC-ONTIZHBOSA-N 340.511 4.584 0 40 EJAB CC1(C)C(=O)O[C@@H](c2ccc(F)cc2Cl)C2(CCCCC2)C1=O 111973 OLKMGSOKVRMQSK-AWEZNQCLSA-N 338.806 4.623 0 40 EJAB Cc1ccn2c(NCCc3ccccc3)c(-c3ccc(O)cc3)nc2c1 413703 DGNLKDKSIAIGEJ-UHFFFAOYSA-N 343.430 4.670 0 40 EJAB C[C@H]1CCc2nc(NC(=O)c3ccc(Cl)cc3Cl)sc2C1 567892 PWIFMKIJSUPSAI-QMMMGPOBSA-N 341.263 4.827 0 40 EJAB CC(C)N(C(=O)COc1ccc(Cl)cc1Cl)c1ccccc1 1640209 HNYDKFSUQDPRLI-UHFFFAOYSA-N 338.234 4.814 0 40 EJAB C[P@](=O)(Nc1ccccc1Br)Oc1ccccc1 3123429 BDAILSJWZNDPDW-GOSISDBHSA-N 326.130 4.763 0 40 EJAB CCCCCCn1c([C@H](C)NC(=O)c2ccco2)nc2ccccc21 4042973 KZLPAAATSBKGPW-HNNXBMFYSA-N 339.439 4.701 0 40 EJAB CCCCc1nn2cc(-c3ccc(Br)cc3)nc2s1 5182378 CSQRBMPSUPFXJJ-UHFFFAOYSA-N 336.258 4.563 0 40 EJAB CCOc1ccc(C(=O)Nc2ccccc2C(C)C)cc1OCC 5466625 NLTVEAQHRVXMIV-UHFFFAOYSA-N 327.424 4.860 0 40 EJAB Cc1cc(C)cc(C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)c1 6219561 PNNGHVDHQSVGJE-UHFFFAOYSA-N 344.386 4.957 0 40 EJAB CCCNCc1ccc(OCc2c(F)cccc2Cl)c(OC)c1 7262354 QWODKQCTSLGEAL-UHFFFAOYSA-N 337.822 4.566 0 40 EJAB COc1cccc(CNC2CCCC2)c1OCc1ccc(Cl)cc1 8495287 QMTOEPBBIKOQIP-UHFFFAOYSA-N 345.870 4.960 0 40 EJAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1ccccc1 8734531 SGVGOENQLRPDMR-UHFFFAOYSA-N 326.783 4.566 0 40 EJAB COc1ccccc1[C@@H](C)NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 12785659 HLTSLBRTIOEWLW-CQSZACIVSA-N 348.446 4.546 0 40 EJAB Cc1nn(-c2ccc(C(=O)Nc3ccc(F)cc3)cc2)c(C)c1Cl 12818891 LJRGFMKHJQZEOX-UHFFFAOYSA-N 343.789 4.534 0 40 EJAB O=C(Nc1nc2c(s1)CCCCC2)c1ccc(C(F)(F)F)cc1 12920842 CWAMOKKDQQNRCQ-UHFFFAOYSA-N 340.370 4.683 0 40 EJAB Cc1cc(C[C@@H]2CCC[C@H]2NCc2ccc(Cl)cc2Cl)on1 19120567 PXVCBFGRUACGFK-YVEFUNNKSA-N 339.266 4.791 0 40 EJAB O=C(c1ccc(F)cc1)N(Cc1cccs1)c1ccc(F)cc1 20896863 SLHISKRDKRHBTC-UHFFFAOYSA-N 329.371 4.873 0 40 EJAB O=C(CCN1CCCc2ccccc21)Nc1cc(Cl)ccc1Cl 22197396 XPFMIDVVPYFUBW-UHFFFAOYSA-N 349.261 4.775 0 40 EJAB Cc1ccc(CN[C@@H]2CCCc3c2cnn3Cc2ccccc2)c(C)c1 27222707 UCVNIRADDIMHBM-JOCHJYFZSA-N 345.490 4.715 0 40 EJAB O=C(NCc1ccco1)c1ccc(COc2ccc3ccccc3c2)o1 27672410 JECKULRYCRDGCW-UHFFFAOYSA-N 347.370 4.535 0 40 EJAB C[C@@H]1CCCN(Cc2ccc(C(=O)NCCC3=CCCCC3)cc2)C1 38852449 VIILUWIYFLULNF-GOSISDBHSA-N 340.511 4.539 0 40 EJAB CC(C)c1noc([C@H](C)Sc2ncc(-c3ccc(F)cc3)[nH]2)n1 48354951 GBAGWCKRXAFCDB-JTQLQIEISA-N 332.404 4.576 0 40 EJAB COc1ccc(CCN2CCC(c3cc4ccccc4[nH]3)CC2)cc1 58345115 WFEWJIFRUUCINQ-UHFFFAOYSA-N 334.463 4.599 0 40 EJAB Oc1cccc(CNC[C@H](c2cccs2)c2c[nH]c3ccccc23)c1 60829600 CDPXSKLJYAPQGV-IBGZPJMESA-N 348.471 4.857 0 40 EJAB O=C(Nc1nc(-c2cccs2)cs1)c1cc2c(s1)CCC2 72257286 IZUSEJILWVXNEU-UHFFFAOYSA-N 332.475 4.674 0 40 EJAB Cc1onc(-c2ccc(Cl)cc2)c1C(=O)N[C@@H](C)c1ccccc1 80343671 HLKVOHXUTDMRBJ-LBPRGKRZSA-N 340.810 4.794 0 40 EJAB CCCCSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1 96951914 PFYMKWQMNWRYIX-UHFFFAOYSA-N 344.871 4.875 0 40 EJAB C[C@@H](C(=O)Nc1cccc(F)c1)c1cccc(C(=O)c2ccccc2)c1 98073288 LZLMLHPTWOVKMX-OAHLLOKOSA-N 347.389 4.799 0 40 EJAB O[C@@H](c1ccccc1Br)c1ccc2c3c(cccc13)CC2 158877387 IMZZQXYVOZJPRM-LJQANCHMSA-N 339.232 4.783 0 40 EJAB Cc1ccc(NC(=O)c2ccc(Nc3nc(C)cc(C)n3)cc2)c(C)c1 170569337 NVLDSBKCDGBOQK-UHFFFAOYSA-N 346.434 4.706 0 40 EJAB O=C(/C=C/c1ccco1)N1CCCC[C@@H](c2ccc(Cl)cc2)C1 206876164 TVXJKRASIONUOI-SIFUEBAJSA-N 329.827 4.743 0 40 EJAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NCc1ccc2ccccc2c1 222801740 MKPNPEBXYGFYBM-OAQYLSRUSA-N 333.431 4.622 0 40 EJAB O=C(NCCOCc1ccccc1)c1cc2c(ccc3ccccc32)o1 224020122 OZCOJKGSGHEHGK-UHFFFAOYSA-N 345.398 4.533 0 40 EJAB CCc1ccc([C@H](C)NC(=O)[C@H](C)Sc2ccc(C)cc2)cc1 224239360 IUIWCRKYPLGMHH-HOTGVXAUSA-N 327.493 4.915 0 40 EJAB CCCOCc1cc(C(=O)Nc2cccc(C)c2C)ccc1OCC 224704248 CSTJQARGPFCVCN-UHFFFAOYSA-N 341.451 4.881 0 40 EJAB Cc1ccc(CCC(=O)Nc2ccc(Cc3ccncc3)cc2)cc1C 225172948 NUQIPLMANNSKCY-UHFFFAOYSA-N 344.458 4.861 0 40 EJAB O=C(CCc1ccc(Cl)cc1Cl)NCc1ccccc1Cl 225371121 UMFVEQCXFCYPMY-UHFFFAOYSA-N 342.653 4.896 0 40 EJAB C[C@H](Sc1ccc(Cl)cc1)C(=O)NC(C)(C)Cc1ccccc1 225450181 HCBODWPBJIWDRL-AWEZNQCLSA-N 347.911 4.958 0 40 EJAB CCCCOc1ccc(NC(=O)[C@]2(OCC)CCC[C@H](C)C2)cc1 225713028 FNZLKBILJXGZRL-JXFKEZNVSA-N 333.472 4.789 0 40 EJAB CCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC)c2ccccc12 225822787 SIXQSPAQLKGRNH-HXUWFJFHSA-N 329.440 4.772 0 40 EJAB O=C(Sc1nnc(-c2ccccc2)o1)c1ccc2ccccc2c1 408528438 HQFJNQOFHMASLD-UHFFFAOYSA-N 332.384 4.822 0 40 EJAB 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4.672 0 40 EJAB CCOc1ccc(-c2nc(-c3ccc(Cl)cc3)n[nH]2)cc1OCC 85385099 QKLLDXJGWNOYLE-UHFFFAOYSA-N 343.814 4.590 0 40 EJAB Cc1cccc(C)c1Oc1ccccc1NCc1nnc(C2CC2)o1 86203149 OYBGBVRXCPRHAD-UHFFFAOYSA-N 335.407 4.968 0 40 EJAB Cc1ccc(C)c(O[C@@H](C)C(=O)NCc2cccc3ccccc23)c1 222865689 SUBPFMYVKWTDHG-KRWDZBQOSA-N 333.431 4.540 0 40 EJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(C)cc1C 222919442 PXHGVDHQEKKOAZ-NRFANRHFSA-N 337.463 4.978 0 40 EJAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc3c4c(cccc24)CC3)cc1 224269698 KRTFIUIXIWCTIB-OAHLLOKOSA-N 331.415 4.653 0 40 EJAB Cc1ccc(CSCCNC(=O)c2ccc(C)cc2Cl)cc1 224995113 DMCMPHGGKLIJFZ-UHFFFAOYSA-N 333.884 4.620 0 40 EJAB CC[C@H](CNC(=S)Nc1ccccc1Cl)Cc1ccccc1 225629674 YMJDHIDSKRHPLN-AWEZNQCLSA-N 332.900 4.895 0 40 EJAB Cc1nc(-c2ccc(C(=O)Nc3ccc(F)cc3)cc2)c(C)s1 408581269 VRPRJRJSNLMGSS-UHFFFAOYSA-N 326.396 4.818 0 40 EJAB CC(C)(C)c1ccccc1OCC(=O)NCCSC1CCCCC1 408678273 ICGWEWNHBFIEPI-UHFFFAOYSA-N 349.540 4.545 0 40 EJAB C[C@H](Cc1csc2ccccc12)NC(=O)c1ccc(F)c(F)c1 575620183 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Cc1ccc(C)c(NC(=O)[C@@H](C)N(C)Cc2c(F)cccc2Cl)c1 8533952 SZVKIWLFHAZSQI-CQSZACIVSA-N 348.849 4.555 0 40 EJAB Cc1occc1-c1nnc(SCc2coc(-c3ccccc3)n2)o1 9483403 QIMCKIUZLODDKS-UHFFFAOYSA-N 339.376 4.585 0 40 EJAB Cc1cccc(NC(=O)c2sc(-c3ccc(Cl)cc3)nc2C)n1 13724179 XDSDGCFXPBPLKH-UHFFFAOYSA-N 343.839 4.728 0 40 EJAB C=CC(=O)OCCCCCCCCCCOc1ccc(C(=O)O)cc1 16138254 BYHJFJWELPBFAI-UHFFFAOYSA-N 348.439 4.614 0 40 EJAB O=C(CCc1ccccc1F)N[C@@H](c1ccccc1)c1cccs1 25603168 XQMKQBPKJSPYHZ-FQEVSTJZSA-N 339.435 4.726 0 40 EJAB c1cc(CNc2ncnc3ccccc23)cc(COCc2ccco2)c1 29626195 SUTHHAIQAREGLH-UHFFFAOYSA-N 345.402 4.552 0 40 EJAB Cc1ccc(C(=O)NCc2cccc(COCc3ccco3)c2)cc1C 40089373 DWRPEISZITUMCK-UHFFFAOYSA-N 349.430 4.543 0 40 EJAB CCOc1ccccc1NC(=O)[C@H](C)Oc1ccccc1C(C)C 44902134 MYJGKQSLLCVUTA-HNNXBMFYSA-N 327.424 4.615 0 40 EJAB COc1ccc(NC(=O)Nc2cc(Cl)cc(Cl)c2)c(C)c1 51355889 VVSGEBCRDGKXHA-UHFFFAOYSA-N 325.195 4.954 0 40 EJAB COc1cccc(NC(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)c1 68755584 HAKKTPKHPZJMQX-CQSZACIVSA-N 335.403 4.599 0 40 EJAB CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2C)cn1 72214573 WEBMAXBFKCSLSH-QGZVFWFLSA-N 347.503 4.636 0 40 EJAB Cc1cc2nc(-c3ccc(NC(=O)c4ccco4)cc3)[nH]c2cc1C 96555603 PHRLIGGHHXUZAG-UHFFFAOYSA-N 331.375 4.692 0 40 EJAB ClC1(Cl)[C@H]2C[C@@H]3[C@@H]([C@@H]4[C@H]([C@H]21)C4(Cl)Cl)C3(Cl)Cl 100916805 LXFGXVWBHKKGFX-XEWORZBESA-N 340.892 4.650 0 40 EJAB CCOCc1ccccc1NC(=O)c1ccc(F)cc1C(F)(F)F 151447941 GJSKZYMWCDTSLC-UHFFFAOYSA-N 341.304 4.633 0 40 EJAB Cc1oc(-c2ccco2)nc1C[S@@](=O)[C@@H](C)c1ccc(Cl)cc1 194542779 CGLXPMCCBUZXQR-DAOPMYJZSA-N 349.839 4.906 0 40 EJAB COCc1cccc(NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)c1 224139618 WXGHJBXDVFAICD-AWEZNQCLSA-N 347.842 4.509 0 40 EJAB Cc1ccc(C(C)C)c(OCC(=O)NCCSC2CCCCC2)c1 224514869 ZFGOQNJOBFGAAM-UHFFFAOYSA-N 349.540 4.679 0 40 EJAB Cc1ccccc1CN1CCC(C(=O)NC(C)(C)CC(C)(C)C)CC1 224526265 LXDWTLUGGWCCFT-UHFFFAOYSA-N 344.543 4.538 0 40 EJAB CCOc1ccc(C(=O)Nc2ccc(OC(C)C)cc2)cc1Cl 225192131 WWHQAPSJAYJDPL-UHFFFAOYSA-N 333.815 4.778 0 40 EJAB 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CC(C)c1ccc(OC[C@H](C)NC(=O)c2ccc(Cl)cc2)cc1 28290928 AOCOOAXDMOFETL-AWEZNQCLSA-N 331.843 4.661 0 40 EJAB C[C@@H](NC(=O)CCc1cccs1)c1ccc(Cl)cc1Cl 32674360 BLAQSVPLEILRGO-SNVBAGLBSA-N 328.264 4.865 0 40 EJAB C[C@H]1Cc2ccccc2N1C(=O)c1cc(-c2ccc(Cl)cc2)on1 37143489 BJLYSGMQQNUFMK-LBPRGKRZSA-N 338.794 4.586 0 40 EJAB O=C(O)C(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1 40449056 XVSWUWHVZHBAFF-UHFFFAOYSA-N 348.242 4.941 0 40 EJAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1cccc(Cl)c1Cl 44946400 GEYXMRBIZSZQMP-AWEZNQCLSA-N 342.197 4.929 0 40 EJAB Cc1sc2nc(-c3ccc(Cl)cc3Cl)[nH]c(=O)c2c1C 49297885 DDDCFMCEPFJMAG-UHFFFAOYSA-N 325.220 4.575 0 40 EJAB OC1=Nc2c(cnn2Cc2ccccc2Cl)[C@@H](c2cccs2)C1 49549972 QZPXQKNMBSKHKJ-LBPRGKRZSA-N 343.839 4.770 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1C 59351131 LSUJQQIUTYOPJD-HUUCEWRRSA-N 331.843 4.602 0 40 EJAB O=C(Nc1nc(C2CC2)cs1)c1c[nH]cc1-c1ccc(Cl)s1 69455272 PUZHKVUDDWWPLA-UHFFFAOYSA-N 349.868 4.983 0 40 EJAB Cc1ccc2c(Cl)c(C(=O)Oc3ccc(C=O)cc3)sc2c1 72193611 RLIWTLUKBRPXFS-UHFFFAOYSA-N 330.792 4.895 0 40 EJAB Fc1cccc(-c2cccc([C@@H]3CCCN(Cc4cccnc4)C3)n2)c1 72348838 CLCDALOQQUCTTF-LJQANCHMSA-N 347.437 4.662 0 40 EJAB FC1(F)Oc2cccc(/C=C/c3cccc4c3OC(F)(F)O4)c2O1 96171559 BFQXGYIPKWMYED-BQYQJAHWSA-N 340.228 4.500 0 40 EJAB CC(C)c1ccc(NC(=O)N2CCC[C@H]([C@@H](C)O)C2)c(C(C)C)c1 96483241 MGVSNMHKUYDIAF-WBVHZDCISA-N 332.488 4.558 0 40 EJAB C[C@@H](NC(=O)Nc1cccc(C(F)(F)F)c1)[C@H]1C[C@@H]2CC[C@@H]1C2 101358520 BAQRJTWSAPHMNM-RTWAVKEYSA-N 326.362 4.652 0 40 EJAB CCc1ccc([C@H](NC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)c2cccs2)cc1 102407540 NARHQKMDPUFVPK-BOLBYERCSA-N 337.488 4.728 0 40 EJAB O=C(NCC[C@@H]1C[C@H]2CC[C@H]1C2)N1CCCCC[C@H]1c1ccncc1 107334941 PEOZENXAUFGANG-FFGOWVMKSA-N 341.499 4.535 0 40 EJAB Cc1cccc(NC(=O)c2cnc(-c3ccc(Cl)cc3)nc2)c1C 222602057 CSLKWPZSPCZYGH-UHFFFAOYSA-N 337.810 4.666 0 40 EJAB Cc1cccc2c1N(C(=O)C(C)(C)Br)C(C)(C)C[C@H]2C 223238345 MQOZAWDIOSOOAY-GFCCVEGCSA-N 338.289 4.787 0 40 EJAB CCN(c1ccc(C)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl 224926969 WTACYKLSFDLRRT-UHFFFAOYSA-N 344.263 4.517 0 40 EJAB CCCCOc1ccc(NC(=O)[C@](C)(OC)C2CC2)c2ccccc12 225813401 FXTXWXNTMSWXDB-OAQYLSRUSA-N 341.451 4.772 0 40 EJAB O=C(c1ccc(-c2ccsc2)cc1)N1CCC2(CC1)CC2(F)F 675007969 ICKYXFOCVHBIDT-UHFFFAOYSA-N 333.403 4.677 0 40 EJAB O=C(C[C@H](O)c1cccn(-c2ccccc2)c1=S)c1ccccc1 344301 QTSKZJJRBDQGJG-IBGZPJMESA-N 335.428 4.513 0 40 EJAB CC1(C)[C@]2(C(=O)Nc3ccc(Cl)cc3Cl)CC[C@@]1(C)C(=O)C2 351928 PDONOQHQGBCJQC-DLBZAZTESA-N 340.250 4.717 0 40 EJAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 490950 FDCINQSOYQUNKB-HGDYXINXSA-N 332.484 4.530 0 40 EJAB biogenic,in-vitro CCN(CC)CCCNCc1cc(-c2ccccc2)nc2ccccc12 1729528 PMJAYRPEIYOTQU-UHFFFAOYSA-N 347.506 4.723 0 40 EJAB CC(=O)c1ccc(OCCCC(=O)Nc2ccc3ccccc3c2)cc1 2639490 IGVKAJLIZWNCMZ-UHFFFAOYSA-N 347.414 4.840 0 40 EJAB COc1ccccc1NC(=O)Nc1ccccc1Cc1ccccc1 3434482 OPRVVJIKBXMKFC-UHFFFAOYSA-N 332.403 4.930 0 40 EJAB Cc1nc2ccccc2cc1C(=O)Nc1ccc(Br)cc1 4185955 JZZNCTJAIBODTJ-UHFFFAOYSA-N 341.208 4.558 0 40 EJAB CCc1cccc(C)c1Nc1c(-c2cccc(O)c2)nc2cnccn12 4733472 CODMSXYOMPDDMC-UHFFFAOYSA-N 344.418 4.716 0 40 EJAB C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H](C)Nc2ccc(-c3ccccc3)cc2)C1 5261900 BWZZFAIARHLJQN-KZNAEPCWSA-N 336.479 4.659 0 40 EJAB COc1ccccc1CN(C)C(=O)c1cccc(Oc2ccccc2)c1 5638158 XKPXABMYFDMGPA-UHFFFAOYSA-N 347.414 4.760 0 40 EJAB O=C(CCc1cccs1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 6657925 BNBUBYQLECMFKU-UHFFFAOYSA-N 347.443 4.863 0 40 EJAB Cc1cccc(OCC(=O)Nc2nc(-c3cccs3)cs2)c1C 7670490 GJVUTXIRUCOTGY-UHFFFAOYSA-N 344.461 4.506 0 40 EJAB O=C(Nc1cccc(-c2nc(-c3cccs3)cs2)c1)C1CC1 8042043 WAOQSIMHPODMDZ-UHFFFAOYSA-N 326.446 4.887 0 40 EJAB O=C1CCCN1c1cccc(-c2csc(-c3cccs3)n2)c1 8297152 QNAGEIFCRRRDOK-UHFFFAOYSA-N 326.446 4.665 0 40 EJAB O=C(Nc1nc2ccccc2s1)N1CCC[C@@H]1c1cccs1 10035816 LVYNYRSVZLNJEZ-GFCCVEGCSA-N 329.450 4.727 0 40 EJAB Cc1nc(-c2ccc(CNC(=O)c3ccccc3Cl)cc2)cs1 12614171 KMTZYBBGUUHKRO-UHFFFAOYSA-N 342.851 4.702 0 40 EJAB Cc1noc(C)c1CCC(=O)Nc1ccc2oc3ccccc3c2c1 12852792 RJAIEVZUBMTFLZ-UHFFFAOYSA-N 334.375 4.762 0 40 EJAB Oc1ccc(-c2cc(-c3ccc(O)cc3)nc(-c3ccccc3)n2)cc1 13130514 VXJWCJHMLDRQIN-UHFFFAOYSA-N 340.382 4.889 0 40 EJAB Cc1ccccc1-n1c(N)c(-c2nc3ccccc3[nH]2)sc1=S 13216659 CPVADMYHLJQWKK-UHFFFAOYSA-N 338.461 4.702 0 40 EJAB CC[C@@H](Oc1ccccc1C)C(=O)NCCCc1ccccc1Cl 20490571 CWJLXXXNZPUPRE-GOSISDBHSA-N 345.870 4.555 0 40 EJAB CCOc1ccc(CCC(=O)Nc2cccc(Cl)c2)cc1OCC 20494069 OOMMGQUPDGIWOW-UHFFFAOYSA-N 347.842 4.709 0 40 EJAB c1ccc(C2CCC(N3CCN([C@@H]4C[C@H]5CC[C@@H]4C5)CC3)CC2)cc1 22459713 LRFGDHOYBPTOBR-RKFHCUQFSA-N 338.539 4.519 0 40 EJAB CC[C@H](NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1C)c1ccc(C)cc1 22530028 DLPMPSQFCSAKGN-QUCCMNQESA-N 339.479 4.955 0 40 EJAB CC[C@@H](C)c1ccc(N[C@@H](C)C(=O)Nc2ccc(Cl)cn2)cc1 24986460 VBHCVSAQYJIXIG-OLZOCXBDSA-N 331.847 4.688 0 40 EJAB Cc1nn(-c2ccc(NC(=O)C3CCCCC3)cc2)c(C)c1Cl 27925098 VWPKPSJFNFVWDE-UHFFFAOYSA-N 331.847 4.661 0 40 EJAB CC[C@@H](NC(=O)c1c(C)nn(-c2ccccc2)c1C)c1ccc(C)cc1 28237378 ARZRKDKBGCRGCY-HXUWFJFHSA-N 347.462 4.679 0 40 EJAB Cc1cccc(C)c1NC(=O)N(C)Cc1ccc(Br)cc1 40099270 MTQRBJBNRRFFCH-UHFFFAOYSA-N 347.256 4.730 0 40 EJAB Cc1ccc(NC(=O)c2oc(COc3ccc(C=O)cc3)cc2C)cc1 68227528 RYANAMQPQPPIBS-UHFFFAOYSA-N 349.386 4.540 0 40 EJAB Cc1cccc(C[S@@](=O)Cc2coc(-c3ccccc3Cl)n2)c1 70040377 HCPCRCVSUQEXNL-QHCPKHFHSA-N 345.851 4.752 0 40 EJAB Cc1ccc2nc(C)c(C(=O)Nc3ccc(Cl)cc3Cl)n2c1 71459246 IPNZUSSKPXNPJY-UHFFFAOYSA-N 334.206 4.510 0 40 EJAB Cc1cc(C)c(NC(=O)c2cccc(-c3ccoc3)c2)c(Cl)n1 89812126 GDUPCDURNIMDBZ-UHFFFAOYSA-N 326.783 4.864 0 40 EJAB FC(F)(Cl)Oc1cc(Br)cc(C(F)(F)F)c1 95215399 KFHGCIUEMVCAPS-UHFFFAOYSA-N 325.458 4.636 0 40 EJAB Cc1noc(C)c1[C@@H](C)NC(=O)Nc1cc(-c2ccco2)ccc1F 96435487 FWHZVOHZMBGYPY-SNVBAGLBSA-N 343.358 4.573 0 40 EJAB CC(C)(C)c1ccc(C(=O)Nc2cc(-c3cccc(F)c3)[nH]n2)cc1 223089848 YCIJYQCGXPKCMI-UHFFFAOYSA-N 337.398 4.766 0 40 EJAB CCCOCc1cc(C(=O)Nc2c(F)cccc2F)ccc1OCC 224706354 PHZIIULKIOWZMU-UHFFFAOYSA-N 349.377 4.542 0 40 EJAB CCc1ccccc1N(CC)S(=O)(=O)c1ccc2ccccc2c1 225044449 SHFRRIMPYJZWPL-UHFFFAOYSA-N 339.460 4.617 0 40 EJAB CCCCc1ccc(Nc2ccc(C(=O)OC(C)C)cc2N)cc1 225446115 LQMHIKLJKJVOOE-UHFFFAOYSA-N 326.440 4.920 0 40 EJAB CCOc1ccc(NC(=O)C2(OC)CCC(C)CC2)c2ccccc12 225811304 SSXVLNQAYLVMOD-UHFFFAOYSA-N 341.451 4.772 0 40 EJAB Cc1ccc(C)c(C(=O)CCC(=O)Nc2cccc(C(F)(F)F)c2)c1 408837042 YEWWTMNXUKDQPL-UHFFFAOYSA-N 349.352 4.924 0 40 EJAB CCCn1c(Cc2ccccc2)nnc1SCc1cccc(C)c1 409094930 GRVSYVPKFWBXBQ-UHFFFAOYSA-N 337.492 4.880 0 40 EJAB Cc1ccc(CC(=O)Nc2cc(Cl)ccc2-c2ccc(C)o2)o1 564773012 GMRIQCIQDKRWTQ-UHFFFAOYSA-N 329.783 4.991 0 40 EJAB O=C(Nc1cc(Cl)cc(Cl)c1F)c1cccc2scnc12 1597600395 WGPHVOGELFINAZ-UHFFFAOYSA-N 341.194 4.995 0 40 EJAB Cc1nn(C(=O)[C@@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)c(C)c1Cl 356020 TYANIFRHPYEYTJ-JKSUJKDBSA-N 330.859 4.895 0 40 EJAB Cc1cccc(N2C[C@@H](c3nc4ccccc4n3CC(C)C)CC2=O)c1 539083 JEJKKGGOVRPYLO-KRWDZBQOSA-N 347.462 4.521 0 40 EJAB O=C(c1cn(CCOc2ccc(Cl)cc2)c2ccccc12)C1CC1 578890 VOZKPDZOKULHBN-UHFFFAOYSA-N 339.822 4.966 0 40 EJAB CCOC(=O)CCCCCCC(=O)c1ccc(C(F)(F)F)cc1 2580332 YONPICYULMSXTP-UHFFFAOYSA-N 330.346 4.792 0 40 EJAB O=C(O)c1cnc2c(C(F)(F)F)cccc2c1Nc1ccccc1 4226192 MQZPZFKGNYHYIQ-UHFFFAOYSA-N 332.281 4.695 0 40 EJAB COc1ccc(CC(=O)Nc2ccccc2Oc2ccccc2)cc1 4666331 LOUWEOOQHDBUOZ-UHFFFAOYSA-N 333.387 4.669 0 40 EJAB O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc(N2CCCC2)cc1 4677836 AJIFWASIAJUFFJ-UHFFFAOYSA-N 338.495 4.832 0 40 EJAB Cc1ccc(CC(=O)Nc2nc3c(s2)Cc2ccccc2-3)c(C)c1 5268068 CRDCXCCWLUOBTD-UHFFFAOYSA-N 334.444 4.512 0 40 EJAB Cc1ccc(-n2c(/C=C/c3ccc(N)cc3)nc3cc(N)ccc32)cc1 5337647 MRFCVQUZXHJVSS-AWNIVKPZSA-N 340.430 4.669 0 40 EJAB COc1ccc(C(C)(C)C)cc1NC(=O)CSc1ccc(F)cc1 6307432 LGNIEIKAKFPEQL-UHFFFAOYSA-N 347.455 4.863 0 40 EJAB CC(=O)c1ccccc1NC(=O)C1c2ccccc2Oc2ccccc21 7642664 GMTNYWLHOHXAKO-UHFFFAOYSA-N 343.382 4.766 0 40 EJAB CCc1nc2ccccc2c(C(=O)OCc2nc3ccccc3o2)c1C 8525441 SFANDJQBGISZRW-UHFFFAOYSA-N 346.386 4.604 0 40 EJAB C[C@H](c1ccccc1)N1C(=O)c2ccccc2N[C@@H]1c1cccc(O)c1 8719566 OUIGPQRSUZBJQS-VFNWGFHPSA-N 344.414 4.720 0 40 EJAB CCSc1ccccc1C(=O)Nc1ccc(N2CCCC2)cc1C 12590001 GIERFYKPGARGIA-UHFFFAOYSA-N 340.492 4.960 0 40 EJAB CSc1ccc([C@@H](C)NC(=O)c2ccccc2C(F)(F)F)cc1 20029722 PFHFVRVPBCAKFN-LLVKDONJSA-N 339.382 4.918 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 20038267 JUCWGJVGBWPJJS-SJORKVTESA-N 339.479 4.937 0 40 EJAB O=C(NC1CCCCC1)c1ccc(CN2CCCc3ccccc32)cc1 20110978 XSLOBRHFEQBPCM-UHFFFAOYSA-N 348.490 4.702 0 40 EJAB COc1ccc(C)cc1NC(=O)[C@H](C)Oc1ccccc1C(C)C 20494162 VOUMDDBYDXOJPR-HNNXBMFYSA-N 327.424 4.533 0 40 EJAB O=C(Nc1c(Cl)ccc2nsnc12)c1ccc2ccccc2c1 21595724 RDVFQAFJUFKAPQ-UHFFFAOYSA-N 339.807 4.750 0 40 EJAB C[C@@H](NCc1cccc2cccnc12)c1cccc(Br)c1 28925722 WXTYAZXBAQKCIT-CYBMUJFWSA-N 341.252 4.848 0 40 EJAB COc1ccc([C@H](CC(C)C)NC(=O)Cc2cc(C)ccc2C)cc1 44886193 JCIDHZKUNXPYIL-NRFANRHFSA-N 339.479 4.758 0 40 EJAB CCOc1ccc2nc(Nc3nc4cccc(C)c4o3)sc2c1 57353014 BVIIBEVETVDGPF-UHFFFAOYSA-N 325.393 4.888 0 40 EJAB O=[S@](Cc1coc(-c2cccc(Cl)c2)n1)Cc1ccccc1F 66299842 VIYIBZGGTGMFSF-HSZRJFAPSA-N 349.814 4.583 0 40 EJAB CCc1ccsc1C(=O)Nc1ccccc1Sc1nncs1 69669135 IHMKDJFMZYOKML-UHFFFAOYSA-N 347.490 4.566 0 40 EJAB CC(C)CC(=O)Nc1ccc(O)c(-c2nc3cc(Cl)ccc3o2)c1 70462072 BCZUNRRLZHSKQG-UHFFFAOYSA-N 344.798 4.838 0 40 EJAB CCOCc1ccccc1NC(=O)N1CCCCC[C@H]1c1ccco1 77282295 SEHUDSHUZNAMAT-SFHVURJKSA-N 342.439 4.965 0 40 EJAB CC(C)c1nc2ccc(NCc3nc(-c4ccco4)no3)cc2s1 84631210 QSYSFHSQSZCGHM-UHFFFAOYSA-N 340.408 4.675 0 40 EJAB O=S(=O)(Cc1cccc(NCc2cccs2)c1)C1CCCCC1 95429104 QZLILCJVMDJMRQ-UHFFFAOYSA-N 349.521 4.608 0 40 EJAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H](C)c1ccc(F)cc1 113970673 CPIWGPKRMZUKBI-ACJLOTCBSA-N 349.833 4.822 0 40 EJAB Cc1ccc(OCC(=O)Nc2ccc(OC3CCCC3)cc2)c(C)c1 222827549 KTYIVDAWJJHUCR-UHFFFAOYSA-N 339.435 4.642 0 40 EJAB CC[C@H](NC(=O)CCc1ccc(OC)c(C)c1)c1ccc(C)cc1 224059519 NHHCAWULAKECMB-IBGZPJMESA-N 325.452 4.512 0 40 EJAB CCc1ccccc1C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)O 225039992 ZQVBPOYNYRPEAN-IBGZPJMESA-N 326.436 4.621 0 40 EJAB Cc1ccc(NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)cc1Cl 225391650 YYPLLLUJFWEZRQ-CQSZACIVSA-N 343.854 4.933 0 40 EJAB Cc1ccc(NC(=S)NCCCc2ccc(F)cc2)cc1Cl 225546980 UHKFPMLDTZLALC-UHFFFAOYSA-N 336.863 4.707 0 40 EJAB Cc1ccc(NC(=S)NCCCSCc2ccco2)c(C)c1 225592574 HYUGOJQFWKNTNY-UHFFFAOYSA-N 334.510 4.506 0 40 EJAB COC1(C(=O)Nc2ccc(OCC(C)C)c(C)c2)CCCCCC1 225632070 IYXGSKRTFKULCO-UHFFFAOYSA-N 333.472 4.708 0 40 EJAB COC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccccc1)N2 245297252 RTXPMZKUZAJFAX-QPOHIBMRSA-N 333.431 4.770 0 40 EJAB CCCn1c(Cc2ccccc2)nnc1SCc1ccc(F)cc1 409102416 SSNCFZCWSCBEMQ-UHFFFAOYSA-N 341.455 4.710 0 40 EJAB Cc1ccc2oc(CNC(=O)c3cccc4cc(O)ccc34)cc2c1 1557512731 JDFKXODFQHPSDC-UHFFFAOYSA-N 331.371 4.530 0 40 EJAB C[C@H]1C[C@@H](C)C[C@H](NC(=O)NCc2ccc(Cl)cc2Cl)C1 1681664822 VBMXUKCDMDOADP-YABSGUDNSA-N 329.271 4.617 0 40 EJAB CCCOc1ccc(/C=C/C(=O)Nc2cccc(C)c2C)cc1OC 1934649 PYDQPZCRKVERAH-ZRDIBKRKSA-N 339.435 4.753 0 40 EJAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C(=O)CC[C@H]32)C1 4081558 FDCINQSOYQUNKB-RIHITMGFSA-N 332.484 4.530 0 40 EJAB biogenic COc1ccc(N(C(=O)Nc2cccc(Cl)c2)C2=NCCC2)cc1 4570552 MNZGDGLNNOFWHW-UHFFFAOYSA-N 343.814 4.579 0 40 EJAB COc1ccc2oc(C(=O)N[C@H]3CCCc4ccccc43)c(C)c2c1 5442779 NTSGVDGPBBYLSK-SFHVURJKSA-N 335.403 4.557 0 40 EJAB CC[C@@H](C)Oc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1 6440104 STEYLWZGNIRUOG-LFPRZYRFSA-N 327.468 4.563 0 40 EJAB Cc1ccc(N(C(=O)Nc2ccccc2)C2=NCC(C)(C)S2)cc1 6814533 YASMSMIWIBOOED-UHFFFAOYSA-N 339.464 4.915 0 40 EJAB Cc1cc(C[C@@H]2CCC[C@H]2NCc2ccc(C(F)(F)F)cc2)on1 12366526 GBJFNCSGDBCGMR-WMLDXEAASA-N 338.373 4.503 0 40 EJAB CCn1c(S[C@H](C)c2nc3ccccc3s2)nnc1C1CC1 12779172 GSXHNDJOEBCGQM-SNVBAGLBSA-N 330.482 4.638 0 40 EJAB CC(C)c1n[nH]c(SCc2cc(-c3ccc(Cl)cc3)no2)n1 14122619 HHFOEMXNNUHZOB-UHFFFAOYSA-N 334.832 4.529 0 40 EJAB C/C=C/C=C/C(=O)O[C@H](C(=O)Nc1cc(C)cc(C)c1)c1ccccc1 15180805 QEVXPMQLNDNWJW-HLYJYUIMSA-N 349.430 4.659 0 40 EJAB O=C(Nc1ccncc1)c1cc(-c2ccc(F)cc2)nc2ccccc12 17584986 HPVLVPJDNUGYPF-UHFFFAOYSA-N 343.361 4.688 0 40 EJAB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)/C=C/c1ccco1 19603926 OKGJLFJIVAHILK-PKNBQFBNSA-N 341.794 4.865 0 40 EJAB O=C(O)c1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1Cl 20138406 XBOBDPGEUBQXJJ-UHFFFAOYSA-N 344.581 4.597 0 40 EJAB CC[C@H](C)Oc1cccc(C(=O)Nc2cccc3nc(C)ccc23)c1 21595818 YLJZCASGJNZACE-HNNXBMFYSA-N 334.419 4.973 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)CCSCc2ccccc2)c(C)c1 22519276 NYLLHVVEWKUUJN-QGZVFWFLSA-N 327.493 4.804 0 40 EJAB C[C@@H](NC(=O)c1ccc(CN2CCCCCC2)cc1)c1ccccc1 38832878 KOADSMKSUDVOOI-GOSISDBHSA-N 336.479 4.554 0 40 EJAB Cc1ccc2c(c1)CCCN2C(=O)c1ccc(F)c(C(F)(F)F)c1 60101203 MRICJYPAZFFEDX-UHFFFAOYSA-N 337.316 4.746 0 40 EJAB CC(C)(C)c1csc([C@@H]2CCCCN2C(=O)CCc2ccco2)n1 76042955 URFUENDGOVHOTP-HNNXBMFYSA-N 346.496 4.720 0 40 EJAB CN(C(=O)c1ccc(Cl)cc1)c1cc(C(F)(F)F)cc(Cl)n1 91694999 GUUCIRQKBHGREM-UHFFFAOYSA-N 349.139 4.684 0 40 EJAB CC1(C)C(c2ccccc2)=NC(c2ccccc2)(c2ccccc2)N1[O] 103897822 YEIHIWPRXSPYDG-UHFFFAOYSA-N 341.434 4.817 0 40 EJAB CC(C)(C)OC(=O)[C@H]1[C@H](c2cccc(Br)c2)C1(C)C 144283010 FYJWSCOSECBQSK-QWHCGFSZSA-N 325.246 4.530 0 40 EJAB Cc1ccc(C)c(OCC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c1 218949775 ZKBQYWJLGASYRE-KRWDZBQOSA-N 339.479 4.857 0 40 EJAB CCNC(=O)c1ccc(Nc2ccc(Oc3ccccc3)cc2)c(N)c1 225432229 UUJHPSUWJIAGBW-UHFFFAOYSA-N 347.418 4.554 0 40 EJAB Fc1ccc(NC(=S)NCCCSC2CCCCC2)cc1 225590197 RPQLNBRGPIIUQW-UHFFFAOYSA-N 326.506 4.568 0 40 EJAB Cc1nc2cc(NC(=O)N(C)c3ccc4ccccc4c3)ccc2n1C 409127569 DEHWCZDPUDZQDK-UHFFFAOYSA-N 344.418 4.703 0 40 EJAB O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1cccnc1Cl 188051 UVQYWZDVFVICKV-UHFFFAOYSA-N 349.777 4.796 0 40 EJAB C[C@@]1(C(=O)Nc2cccnc2)CC2c3ccccc3C1c1ccccc12 305997 DYNRYPMIUNVZHC-YDPRHXJPSA-N 340.426 4.708 0 40 EJAB CCOc1cccc(/C=C2\N=C(c3cccc4ccccc34)OC2=O)c1 508128 ZSZOVXIVNMMLIJ-ZHZULCJRSA-N 343.382 4.583 0 40 EJAB COc1cc2sc(NC(=O)c3ccc(C)c(C)c3)nc2cc1Cl 557480 PSFNUEYCKXQKJI-UHFFFAOYSA-N 346.839 4.827 0 40 EJAB CCCC(=O)Nc1cc2nn(-c3cccc4ccccc34)nc2cc1C 559495 AFPZTXYIUKHQJK-UHFFFAOYSA-N 344.418 4.621 0 40 EJAB COc1ccc(NC(=O)CSc2ccc(Cl)c(Cl)c2)cc1 1400517 VIGAJYRUEWYVSV-UHFFFAOYSA-N 342.247 4.733 0 40 EJAB CCCCC(=O)Nc1cccc(NC(=O)c2cc3ccccc3o2)c1 2221418 PMNHSTJEMCLNRO-UHFFFAOYSA-N 336.391 4.814 0 40 EJAB CCN(CC)c1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1 2510885 SDKNOCWKOGQYBO-UHFFFAOYSA-N 327.811 4.960 0 40 EJAB biogenic Cc1ccc2c(C)cc(SCC(=O)Nc3cccc(F)c3)nc2c1 3417558 PKCGTHPQLMXWNP-UHFFFAOYSA-N 340.423 4.722 0 40 EJAB COc1ccc(Cl)cc1NC(=O)CCC(=O)c1cc(C)ccc1C 3429661 YAEHKLUMMVLILE-UHFFFAOYSA-N 345.826 4.567 0 40 EJAB CCCC(=O)N(Cc1ccccc1)c1nc2ccc(OC)cc2s1 5299715 DDLRNQVRRDGQFV-UHFFFAOYSA-N 340.448 4.638 0 40 EJAB Cc1ccc(Cl)cc1NC(=O)c1ccc(N2CCCCC2)cc1 7504758 JJOKBKYNOLBUPE-UHFFFAOYSA-N 328.843 4.891 0 40 EJAB O=C(CSc1ccccn1)Nc1ccccc1Oc1ccccc1 7699767 AZQSWRQJTFZHPY-UHFFFAOYSA-N 336.416 4.605 0 40 EJAB O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)c1cc2ccccc2o1 8263137 ZMGFLPZLPXXQBN-SFHVURJKSA-N 325.795 4.967 0 40 EJAB COc1ccccc1-c1nc(-c2ccc3c(c2)[C@@H](C)C(=O)N3)cs1 8296935 IAIJWLNVDYHYEX-LLVKDONJSA-N 336.416 4.541 0 40 EJAB CC(=O)Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 8706235 DZRFJJRFEAWMCX-UHFFFAOYSA-N 339.398 4.922 0 40 EJAB Cc1ccccc1[C@@H]1CC(=O)Nc2[nH]nc(-c3ccc(Cl)cc3)c21 9546544 OKGOSBCJQGNRTC-HNNXBMFYSA-N 337.810 4.513 0 40 EJAB CN(Cc1ncc(-c2ccc(F)cc2)o1)[C@H]1CCCc2ccccc21 11285365 LXXOHSBPSNWPEM-IBGZPJMESA-N 336.410 4.990 0 40 EJAB CC(C)c1nnc(NC(=O)Cc2ccc(-c3ccccc3)cc2)s1 12811774 CODWRXOQUXNZRU-UHFFFAOYSA-N 337.448 4.510 0 40 EJAB CC(C)(C)C(=O)COC(=O)c1ccccc1SCc1ccsc1 12892520 ZSMMQGMJNYYSHR-UHFFFAOYSA-N 348.489 4.812 0 40 EJAB C[C@H]1CCN(C(=O)Cc2ccc(Cl)cc2)c2ccccc2S1 14700623 WNGMSGAEMOPXGR-ZDUSSCGKSA-N 331.868 4.800 0 40 EJAB Cc1ccc(NC(=S)NCCSCc2ccccc2F)cc1C 18146446 ISNHFJDXAFZBPG-UHFFFAOYSA-N 348.512 4.662 0 40 EJAB Cc1cccc(-n2ncc3c2C[C@@H](c2ccc(Cl)cc2)CC3=O)c1 20632824 SSWNKIAKLQVZEW-OAHLLOKOSA-N 336.822 4.747 0 40 EJAB CN(Cc1cccc(Cl)c1Cl)C(=O)c1cn(C)c2ccccc12 23785808 HWHDODODSSDQBP-UHFFFAOYSA-N 347.245 4.757 0 40 EJAB COc1ccc2nc(SCc3csc(-c4ccco4)n3)[nH]c2c1 25434166 KIDNWVSERKQYCL-UHFFFAOYSA-N 343.433 4.580 0 40 EJAB CC(C)c1noc([C@H](C)Sc2nccn2-c2ccc(Cl)cc2)n1 27810497 PZRVSGBHWOBXIB-NSHDSACASA-N 348.859 4.885 0 40 EJAB Cc1ccc(Oc2ccccc2NC(=O)CC(C)(C)CC(=O)O)cc1 32873868 AKIFEIIAYMAZEP-UHFFFAOYSA-N 341.407 4.617 0 40 EJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@H]1CCCc2ccccc21 44903855 ZCWPEJVEPUOPAI-RBUKOAKNSA-N 343.854 4.691 0 40 EJAB Cc1ccccc1[C@H]1CCCN1C(=O)Nc1cccc2cnccc12 48051208 BXXJPWFGUBKJKJ-HXUWFJFHSA-N 331.419 4.912 0 40 EJAB CN(CCc1ccncc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 58392897 NVJQFXOBHATCBP-UHFFFAOYSA-N 347.418 4.580 0 40 EJAB CN(CC1CCCC1)C(=O)c1cc2ccccc2n1Cc1ccccc1 58416028 DQKJAWCRABMQGE-UHFFFAOYSA-N 346.474 4.952 0 40 EJAB Cc1cccc(NC(=S)Nc2ccccc2Oc2ccccc2)n1 84229685 RTCVHEMGPFZDBY-UHFFFAOYSA-N 335.432 4.991 0 40 EJAB Cc1ccsc1[C@H](C)N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 95420394 KOVGTQYCOJCTMY-KBPBESRZSA-N 343.496 4.752 0 40 EJAB CCC(CC)Nc1nc(Cl)nc(Nc2cccc(Cl)c2)n1 199799881 NJGLNXVOXSFIKY-UHFFFAOYSA-N 326.231 4.523 0 40 EJAB O=[S@@](CCc1ccccc1)Cc1ccccc1Oc1ccccc1 220130288 MHZSCYJFQNNHSR-DEOSSOPVSA-N 336.456 4.970 0 40 EJAB Cc1ccc(O[C@H](C)C(=O)NCc2cccc3ccccc23)c(C)c1 222877380 BFGIKAFYZSTBKI-QGZVFWFLSA-N 333.431 4.540 0 40 EJAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N1CCCc2ccccc21 223023746 WHQGWMVFQOZYLV-LJQANCHMSA-N 343.854 4.785 0 40 EJAB CC[C@H](NC(=O)CCc1ccc(Cl)cc1)c1ccc(OC)c(C)c1 225313063 XVXUXUCRHVLWFS-SFHVURJKSA-N 345.870 4.857 0 40 EJAB C[C@H](N[C@H](C[C@H]1CCOC1)c1ccccc1)c1nc2ccccc2o1 248725462 HVDCYEUGZSLQNM-FRQCXROJSA-N 336.435 4.646 0 40 EJAB CCC(CC)C(=O)N1CCC[C@H]2[C@@H]1CC(C)(C)N2c1ccc(F)cc1 1615155482 IIRVGBZQLGHVAH-OALUTQOASA-N 346.490 4.610 0 40 EJAB CSc1nc2ccc(NC(=O)c3cccc(Cl)c3)cc2s1 193524 RVCLBOFDMCWKSI-UHFFFAOYSA-N 334.853 4.924 0 40 EJAB Cc1cccc(C(=O)Nc2ccc3c(c2)ncn3-c2ccccc2)c1 520018 HLSCGWIYJSSLSA-UHFFFAOYSA-N 327.387 4.586 0 40 EJAB O=C(Nc1cccc2ccccc12)N1CCCC[C@@H]1c1ccncc1 520552 OTNPKGYHPMECIM-HXUWFJFHSA-N 331.419 4.994 0 40 EJAB CC(C(=O)Nc1cccnc1Cl)(c1ccccc1)c1ccccc1 537717 HOSDOHDQCKMGSC-UHFFFAOYSA-N 336.822 4.680 0 40 EJAB CCOC(=O)c1cc(-c2ccc(OC(F)F)cc2)nc2ccccc12 1014149 NGBAHZCIZKAHEN-UHFFFAOYSA-N 343.329 4.680 0 40 EJAB O=C(c1cc(Cl)cc(Cl)c1)c1ccccc1CN1CC=CC1 2515914 FLGJWIRUEYCRHZ-UHFFFAOYSA-N 332.230 4.596 0 40 EJAB Cc1ccc(C)c2sc(NC(=O)c3ccc(OC(C)C)cc3)nc12 4331419 DFKDFUSEXXVNFI-UHFFFAOYSA-N 340.448 4.953 0 40 EJAB CCc1ccc2oc(-c3cc(NC(=O)C(C)C)cc(C)c3O)nc2c1 4988498 FNANLLKOCGUZEX-UHFFFAOYSA-N 338.407 4.666 0 40 EJAB Cc1ccc(NC(=O)COc2ccccc2-c2ccccc2)cc1F 5702191 MXMJKFRYVMGPOQ-UHFFFAOYSA-N 335.378 4.819 0 40 EJAB CCc1cccc(C)c1NC(=O)/C=C/c1ccc(Br)cc1 6125510 MBEYUGHLYPHOJE-FMIVXFBMSA-N 344.252 4.972 0 40 EJAB Cc1ccc(NC(=O)CSc2nc3ccccc3s2)c(Cl)c1 6203742 JLZJGCRCTPHTPH-UHFFFAOYSA-N 348.880 4.989 0 40 EJAB CNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 6871697 FIZVGKMLIHYHSL-UHFFFAOYSA-N 334.810 4.783 0 40 EJAB CCc1sc(C(=O)N(C)Cc2nc3ccccc3s2)cc1C 8265260 RWGJUGQTHRYGFI-UHFFFAOYSA-N 330.478 4.501 0 40 EJAB Cc1ccccc1OCC(=O)Nc1ccc(C(F)(F)F)cc1Cl 9141824 SPOJCKSLVBSPCJ-UHFFFAOYSA-N 343.732 4.685 0 40 EJAB CC(C)C(=O)Nc1ccc(NC(=O)c2cccc3ccccc23)cc1 9141877 CLFALCMFZYYCPH-UHFFFAOYSA-N 332.403 4.687 0 40 EJAB Cc1nc(C2CC2)nc(Sc2ccc(Br)cc2)c1F 12788714 CFBUCIILSAERNR-UHFFFAOYSA-N 339.233 4.715 0 40 EJAB CCOc1ccccc1/C=C/C(=O)N1CCc2sccc2[C@@H]1CC 12887355 QMNVQURUARVYKV-FVNWOWOISA-N 341.476 4.696 0 40 EJAB O=C(Nc1cc2ccccc2nc1C1CCCCC1)c1cccnc1 13997924 DDNMZBBGFUPNPL-UHFFFAOYSA-N 331.419 4.930 0 40 EJAB Cc1cc(F)ccc1NC(=O)c1occc1COc1ccccc1 14061158 KACBUCIRVZGWRA-UHFFFAOYSA-N 325.339 4.558 0 40 EJAB Nc1c(Cl)cc(NC(=O)c2ccccc2C(F)(F)F)cc1Cl 16489526 YZVMTWBGNLVGOP-UHFFFAOYSA-N 349.139 4.847 0 40 EJAB COc1cc2c(cc1OC)CC(C)(C)N(Cc1ccccc1Cl)C2 19594082 KRZCUKRZJBZMKP-UHFFFAOYSA-N 345.870 4.694 0 40 EJAB Cc1ccc(Nc2nn(-c3ccccc3)c3c2C(=O)C[C@H](C)C3)cc1C 20672000 GKEXORZLURFNDQ-CQSZACIVSA-N 345.446 4.998 0 40 EJAB CC(C)(C)C(=O)Nc1cc(-c2cccs2)nn1-c1ccccc1 21102305 MHDFCTVUSIUNRX-UHFFFAOYSA-N 325.437 4.585 0 40 EJAB Clc1cc(-c2nc(-c3ccc(Cl)c(Cl)c3)no2)ccn1 22120499 OYDRLVQFKHBHLY-UHFFFAOYSA-N 326.570 4.759 0 40 EJAB CCc1ccc(-c2noc(CN[C@@H](c3ccccc3)C(C)C)n2)cc1 24982050 YMXYWGQRZNHGDI-HXUWFJFHSA-N 335.451 4.786 0 40 EJAB C[C@H]1C[C@H]1c1ccc(CN(C(=O)c2cccc(Cl)c2)C2CC2)o1 27285686 OFICAEGXWAGWLB-YVEFUNNKSA-N 329.827 4.861 0 40 EJAB Cc1nn(Cc2cccc3ccccc23)c(C)c1NC(=O)C1CCCC1 27922735 SJEDISUFKOTZJR-UHFFFAOYSA-N 347.462 4.830 0 40 EJAB O=C(O)C/C(=C/c1ccc(Cl)cc1)c1nc2ccccc2s1 28495880 RVYJVEHNWOKCBK-XFXZXTDPSA-N 329.808 4.965 0 40 EJAB C[C@H](NC(=O)CCc1cccs1)c1ccc(Cl)cc1Cl 32674361 BLAQSVPLEILRGO-JTQLQIEISA-N 328.264 4.865 0 40 EJAB COc1c(C(C)C)cc2c(c1O)[C@@]1(C(=O)O)CCCC(C)(C)[C@H]1CC2 35455416 QQNSARJGBPMQDI-QVKFZJNVSA-N 346.467 4.619 0 40 EJAB biogenic,in-vitro O=C(Cc1cccs1)N[C@@H](c1ccccc1)c1cc2ccccc2o1 36625811 ACFLIOLESQQZNW-NRFANRHFSA-N 347.439 4.943 0 40 EJAB C[C@H]1Cc2ccccc2N1C(=O)c1cc(-c2ccccc2Cl)on1 40086719 HDFXLTHKUAMFBG-LBPRGKRZSA-N 338.794 4.586 0 40 EJAB c1cc(Nc2ncnc3sc4c(c23)CCC4)cc(N2CCCC2)c1 40155544 SXQQJLYWLYLYGV-UHFFFAOYSA-N 336.464 4.524 0 40 EJAB CN(Cc1cc(-c2cccs2)on1)Cc1nc2ccccc2s1 53098571 KEBCJARTNBCLKH-UHFFFAOYSA-N 341.461 4.645 0 40 EJAB C[C@H](Nc1cccc(NC(=O)c2ccoc2)c1)c1ccc(F)c(F)c1 95958790 VBUCHYYKJBNLIO-LBPRGKRZSA-N 342.345 4.983 0 40 EJAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NC(C)(C)CC(C)(C)C 225106819 GCJMKVOKSKJKKW-OAHLLOKOSA-N 331.500 4.664 0 40 EJAB CC(C)Oc1cccc(CCCNC(=S)Nc2ccccc2F)c1 225564711 FAXDEWWHSRITLR-UHFFFAOYSA-N 346.471 4.532 0 40 EJAB CC[C@@H](C)Oc1c(C)cc(NC(=O)C(C)(C)Br)cc1C 225595666 DTIWAEDLLLNSEW-GFCCVEGCSA-N 342.277 4.593 0 40 EJAB CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cn1 225862626 LJZAVKWXIZXJMQ-UHFFFAOYSA-N 344.842 4.584 0 40 EJAB O=C(Nc1nc(-c2ccccc2)co1)c1cccc(Cl)c1Cl 549714393 HQMFZLIVCBWOAO-UHFFFAOYSA-N 333.174 4.901 0 40 EJAB O=C(CSc1ccc(F)cc1)Nc1ccc(Cl)c(Cl)c1 31609 HMYWWBQSAKMPTI-UHFFFAOYSA-N 330.211 4.863 0 40 EJAB Cc1cc(-c2csc(-c3ccccn3)n2)c(C)n1Cc1ccco1 3330336 ZULINHRCBIGEHC-UHFFFAOYSA-N 335.432 4.932 0 40 EJAB FC(F)(F)c1cnc(Sc2ncnc3sccc23)c(Cl)c1 3342132 KSRWMIXRZHPEJH-UHFFFAOYSA-N 347.774 4.910 0 40 EJAB COc1ccc(-c2cc(C(=O)N3CCCCC3)c3ccccc3n2)cc1 3612031 OVZCYKHHDTYUOO-UHFFFAOYSA-N 346.430 4.537 0 40 EJAB Cc1ccc(C)c(C(=O)Nc2nc3c(s2)COc2ccccc2-3)c1 4301444 HELTYWFCLJGHHV-UHFFFAOYSA-N 336.416 4.572 0 40 EJAB CSc1cccc(C(=O)Nc2nc(-c3cccs3)cs2)c1 5222533 ANDRBUDBVWWXOA-UHFFFAOYSA-N 332.475 4.846 0 40 EJAB Cc1cc(CSc2nnc(-c3cc4c(s3)CC[C@@H](C)C4)o2)no1 5320943 CBFKADLGJOMBMF-SECBINFHSA-N 347.465 4.512 0 40 EJAB Cc1cccc(-n2c(C)nc3c(c(C)c(C)n3-c3ccccc3)c2=N)c1 5486450 YIMKLJAYSHDTBH-UHFFFAOYSA-N 342.446 4.529 0 40 EJAB Cc1cccc(C)c1NC(=O)CSC1=Nc2ccccc2CS1 6588100 DXKHDCSUSQOBBU-UHFFFAOYSA-N 342.489 4.910 0 40 EJAB Cc1nc(CSc2nc(C(F)(F)F)nc3ccccc23)cs1 7160836 OWVZNXWUHQNHBG-UHFFFAOYSA-N 341.383 4.706 0 40 EJAB COc1ccc(N(Cc2cccs2)C(=O)/C=C/c2ccco2)cc1 8073098 MKMRAPODOWXBDR-ZHACJKMWSA-N 339.416 4.596 0 40 EJAB COc1ccc(NC(=O)CCc2ccc(C(C)(C)C)cc2)cc1OC 10335884 HYOROOJLPAYCDY-UHFFFAOYSA-N 341.451 4.573 0 40 EJAB CC(C)CCC(=O)Nc1ccnn1Cc1ccc(Cl)cc1Cl 12857289 YGVIFWDPBHXYGN-UHFFFAOYSA-N 340.254 4.613 0 40 EJAB O=C(Nc1ccccc1F)N[C@H](c1ccccc1)c1cccs1 13000536 AMNDTQBWKNBMQV-QGZVFWFLSA-N 326.396 4.798 0 40 EJAB COc1ccc(CCCNC(=O)c2ccc(-c3ccccc3)cc2)cc1 13649792 YPQUZLLERKVKFB-UHFFFAOYSA-N 345.442 4.725 0 40 EJAB CC(C)(Cc1ccccc1)N1CCO[C@@H](c2cccc(Cl)c2)C1 14982447 WVZRWNPPXYLQBI-LJQANCHMSA-N 329.871 4.735 0 40 EJAB O=C(Nc1cccc(C(F)(F)F)c1)N1CC[C@@H]2CCCC[C@H]2C1 16399329 SNQOWJOMZKTFDQ-STQMWFEESA-N 326.362 4.749 0 40 EJAB O=C(Nc1ccc(Cl)cc1F)c1cc(F)ccc1Br 19198976 CPOABBFZRYTSRP-UHFFFAOYSA-N 346.558 4.633 0 40 EJAB C[C@H](CN[C@@H](Cc1ccsc1)c1nccs1)c1ccccc1 19456520 NNNZEKCJZYVZOT-PBHICJAKSA-N 328.506 4.882 0 40 EJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NC12CC3CC(CC(C3)C1)C2 20453951 WDHJKJJLQUQTGN-MYZSEDEFSA-N 341.495 4.546 0 40 EJAB Cc1ccc([C@H](NC(=O)[C@]2(C)CC2(Cl)Cl)c2ccccc2)cc1 21583946 XJYUHWZCXDBSSQ-AEFFLSMTSA-N 348.273 4.785 0 40 EJAB COc1ccc([C@H](C)NC(=O)N[C@@H](c2ccccc2)C(C)C)cc1F 22426333 JARSLHMLXHPUEC-IFXJQAMLSA-N 344.430 4.592 0 40 EJAB Cc1ccc(C(=O)Nc2c(-c3cccs3)nc3ccc(C)cn23)cc1 27023755 PCFSDDHTGOWLHE-UHFFFAOYSA-N 347.443 4.932 0 40 EJAB O=C(Nc1cccc(OC2CCCC2)c1)c1cc2c(s1)CCC2 30251406 GHKPHDJWDQXTGB-UHFFFAOYSA-N 327.449 4.811 0 40 EJAB O=C(OCc1csc(-c2ccco2)n1)c1csc2ccccc12 37143159 BFPBEARTUAYWJA-UHFFFAOYSA-N 341.413 4.975 0 40 EJAB CC[C@H](C)C(=O)Nc1cc(NC(=O)Nc2ccccc2)ccc1C 40105193 CHTMXDOKQMSDOM-ZDUSSCGKSA-N 325.412 4.624 0 40 EJAB Cc1noc(C)c1CN(C)Cc1csc(-c2ccc(Cl)cc2)n1 75696699 DMMIOWLBYXLFPB-UHFFFAOYSA-N 347.871 4.700 0 40 EJAB CCN(C(=O)Nn1cnc2ccccc21)[C@@H](C)c1cc2ccccc2o1 84760681 YMAGQVUYTKNZIL-AWEZNQCLSA-N 348.406 4.529 0 40 EJAB Cc1ccc(NCc2ncc(C(C)C)o2)cc1OCC1CCOCC1 85278491 OLKJLUAYKCSSQM-UHFFFAOYSA-N 344.455 4.524 0 40 EJAB CSc1ccc(/C=C/C(=O)N(CCc2cccs2)C2CC2)cc1 96120312 OLLUVMYBVMBHPC-IZZDOVSWSA-N 343.517 4.717 0 40 EJAB COC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccccc1)N2 169700687 RTXPMZKUZAJFAX-XHXJHSHESA-N 333.431 4.770 0 40 EJAB COc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1Cl 169942541 PLCHNKYWNZTWFS-UHFFFAOYSA-N 347.817 4.938 0 40 EJAB O=C(Nc1ccc(F)cc1F)/C(=C/c1ccco1)c1ccccc1 218100105 XWROTDKRYBJUNE-FOWTUZBSSA-N 325.314 4.737 0 40 EJAB O=C(CSCc1ccccc1F)NCc1ccc2ccccc2c1 222814512 VYMLOSUSWVZZNO-UHFFFAOYSA-N 339.435 4.529 0 40 EJAB Cc1ccc(NC(=S)NCCOc2ccccc2C(C)(C)C)cc1 223740419 IFKDUEJCWDUIKW-UHFFFAOYSA-N 342.508 4.658 0 40 EJAB CCO[C@]1(C(=O)Nc2ccc(OCC(C)C)cc2)CCC[C@@H](C)C1 225713222 RHCJJMDJJAKSJB-OXQOHEQNSA-N 333.472 4.645 0 40 EJAB Cc1cc(C)cc(NC(=O)c2snnc2-c2ccc(Cl)cc2)c1 225769517 YGWYAPSMXMYFNK-UHFFFAOYSA-N 343.839 4.728 0 40 EJAB CCOC(C)(C)C(=O)Nc1ccc(OCC(C)C)c2ccccc12 225816042 PYMMBHWAYLVLHH-UHFFFAOYSA-N 329.440 4.628 0 40 EJAB CC(C)(C)c1cnc(C2CCN(C(=O)c3cccc(Cl)c3)CC2)o1 227163809 XQNPHQRACKQISB-UHFFFAOYSA-N 346.858 4.645 0 40 EJAB CN1CCC[C@H]1CCOc1ccccc1Oc1cccc(Cl)c1 257215447 CQDKZWFIABNYJD-INIZCTEOSA-N 331.843 4.995 0 40 EJAB O=C(O)CCc1c(-c2ccccc2)[nH]c2ccc(Br)cc12 585139460 DBFIBQJJZBJHFJ-UHFFFAOYSA-N 344.208 4.615 0 40 EJAB CCCn1c([C@H]2CC(=O)N(c3cccc(C)c3C)C2)nc2ccccc21 252225 MBZQABGMESUSND-KRWDZBQOSA-N 347.462 4.584 0 40 EJAB O=C(Nc1ccc(N2CCCC2)cc1)c1cc(Cl)ccc1Cl 917707 GYZVSZRBAATHFB-UHFFFAOYSA-N 335.234 4.846 0 40 EJAB O=C(Nc1cccc(Cl)c1)Nc1c(F)c(F)c(F)c(F)c1F 2097893 GGNRAJAMYSPUCA-UHFFFAOYSA-N 336.647 4.680 0 40 EJAB Cc1c(C(=O)NC2CCCCC2)oc2ccc(Br)cc12 3554362 AWPOEINSGJUSJT-UHFFFAOYSA-N 336.229 4.566 0 40 EJAB C=Cc1ccc(COc2ccc3c4c(c(=O)oc3c2C)CCC4)cc1 4746052 WTVFQEIBGWUZCX-UHFFFAOYSA-N 332.399 4.812 0 40 EJAB Cc1ccc(C(=O)N2C(=S)C(c3ccccc3)=NC23CCCC3)cc1 4891846 CCVCDSMXDSBZHW-UHFFFAOYSA-N 348.471 4.538 0 40 EJAB CC(C)(C)c1ccc(-c2csc(NC(=O)c3cccnc3)n2)cc1 5904498 HTDSZRWJXJHMKD-UHFFFAOYSA-N 337.448 4.755 0 40 EJAB CC[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccccc2OC)N3)C1 6358123 BKKJRRONZHPQLX-PIGZYNQJSA-N 342.464 4.701 0 40 EJAB CCOc1ccc([C@@](C)(CC)c2cc3c(cc2OCC)OCO3)cc1 6371535 LCDHUEOBNHBWGN-OAQYLSRUSA-N 342.435 4.929 0 40 EJAB Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)cc1C 6439030 MSYYUWIGBSNGQV-CYBMUJFWSA-N 337.341 4.728 0 40 EJAB CCCn1nc(NC(=O)C2CCCCC2)c2cc3ccccc3nc21 6785554 RNNJASMYGYNHRC-UHFFFAOYSA-N 336.439 4.513 0 40 EJAB CC(=O)c1ccc(OCc2ccc(C(=O)Nc3ccccc3)cc2)cc1 7338195 SCCJCFMSBLKLMI-UHFFFAOYSA-N 345.398 4.721 0 40 EJAB S=C(Nc1cccc2ncccc12)N1CCCC[C@H]1c1cccnc1 8991847 PJZDEDCUUMLPMY-IBGZPJMESA-N 348.475 4.554 0 40 EJAB biogenic Cc1ccc(-c2nsc(NC(=O)c3oc4ccccc4c3C)n2)cc1 11914509 WRHYHVZYRGTOHZ-UHFFFAOYSA-N 349.415 4.820 0 40 EJAB Fc1ccccc1C1(NCc2c[nH]nc2-c2cccs2)CCCC1 12116973 GPHQPIGVEFSXQP-UHFFFAOYSA-N 341.455 4.836 0 40 EJAB Cc1sc(NC(=O)c2ccc(F)cc2F)nc1-c1ccccc1 13140878 ODDIDMLLXNMMLV-UHFFFAOYSA-N 330.359 4.649 0 40 EJAB CC[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc(OC)cc3)=NN12 13810951 YWQCDIMSKAEIPY-MJGOQNOKSA-N 342.826 4.628 0 40 EJAB CCCCOP(=O)(OCCCC)[C@@H](O)C(Cl)(Cl)Cl 16639127 QAUKMLDDNLHSIP-SECBINFHSA-N 341.599 4.502 0 40 EJAB CN(Cc1ccccc1N1CCCC1)C(=O)Nc1ccc(Cl)cc1 17743697 HKGKPWWYKFRERF-UHFFFAOYSA-N 343.858 4.604 0 40 EJAB CCOCCOc1ccc(NCc2ccccc2OC(C)C)cc1 19738432 JHHONKPPZLLVQV-UHFFFAOYSA-N 329.440 4.501 0 40 EJAB C[C@H](NC(=O)c1cccc(OCc2ccccc2)c1)c1ccc(F)cc1 19932995 ZOMUFQFPULWOBE-INIZCTEOSA-N 349.405 4.896 0 40 EJAB CC[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1ccc(OC)cc1 20047845 MARVJMZLMACNDG-INIZCTEOSA-N 338.234 4.883 0 40 EJAB CCOc1ccccc1NC(=S)N[C@H](CC)c1ccc(OC)cc1 20625042 MDVBTKPEOOLPBV-MRXNPFEDSA-N 344.480 4.532 0 40 EJAB COc1ccc(NC(=O)c2cccnc2Nc2c(C)cccc2C)cc1 22072083 YVZOUIHRCBTBPT-UHFFFAOYSA-N 347.418 4.703 0 40 EJAB Cn1cc(Cl)cc1C(=O)Nc1ccccc1Oc1ccccc1 25986450 FPPYTCKENJNLGK-UHFFFAOYSA-N 326.783 4.723 0 40 EJAB COc1cccc(N(Cc2cccs2)C(=O)c2cccc(C)c2)c1 28287149 ZGNMPUJHGMDPPP-UHFFFAOYSA-N 337.444 4.912 0 40 EJAB COCc1ccc(C(=O)Nc2nc(C)c(-c3ccccc3)s2)cc1 29921874 VLVSXKPZJKIOJX-UHFFFAOYSA-N 338.432 4.517 0 40 EJAB Cc1cc(OCC[C@@H]2CCCCN2)c(Br)c(C)c1Cl 42770260 LGWDNSSCIPYSBY-LBPRGKRZSA-N 346.696 4.630 0 40 EJAB Cc1ccccc1[C@@H](NC(=O)CSc1ccccc1)c1ccccc1 44899949 JRVVVUPWTLQQSH-QFIPXVFZSA-N 347.483 4.993 0 40 EJAB CN(Cc1ccsc1)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 45125196 VPTROXHRBKGCBW-MRXNPFEDSA-N 334.872 4.694 0 40 EJAB Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)/C=C/c1ccco1 53424001 SYCJTBQVOCEHOH-OCHBPSSRSA-N 338.432 4.602 0 40 EJAB Cc1ccc2nc(-c3ccc4c(c3)CCN4C(=O)CC(C)(C)C)cn2c1 57773959 ZRKQNDFGZAGIMC-UHFFFAOYSA-N 347.462 4.635 0 40 EJAB O=C(Nc1ccc(N2CCc3ccccc32)cc1)N1CCCCCC1 59351116 NJOSYWZSBPSMIO-UHFFFAOYSA-N 335.451 4.789 0 40 EJAB CCN(Cc1ccccc1C)Cc1nc2cc(F)ccc2n1CC 60375423 PODYTKOWEHFOFG-UHFFFAOYSA-N 325.431 4.526 0 40 EJAB O=C(/C=C/c1cc2cc(Br)ccc2o1)Nc1ccccc1 67339394 DYVYEWKKKGHCEI-VQHVLOKHSA-N 342.192 4.847 0 40 EJAB CCC[C@@H](CNC(=O)c1cc(-c2ccc(C)cc2)on1)c1ccccc1 72238632 YAXDLRMUNAWLHL-IBGZPJMESA-N 348.446 4.964 0 40 EJAB CC1=Nc2c(c(=O)[nH]n2C2CCCCC2)[C@H](c2cccc(F)c2)S1 85411932 WWWKFZZBEKLUPO-INIZCTEOSA-N 345.443 4.707 0 40 EJAB Clc1cc(Cl)cc(-c2noc(-c3ccc(Cl)nc3)n2)c1 89262787 XSASFIWXTVDXBD-UHFFFAOYSA-N 326.570 4.759 0 40 EJAB CCCN(C(=O)Nc1cnn(Cc2ccccc2)c1)C1CCCCC1 95454982 VTYZVRHQPLDNJD-UHFFFAOYSA-N 340.471 4.508 0 40 EJAB Cc1ccc(OCCCC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)cc1 223198572 PDJYTMKLWQERPZ-KRWDZBQOSA-N 337.463 4.520 0 40 EJAB CC[C@H](Oc1ccccc1F)C(=O)N[C@H](C)c1cc(C)c(C)cc1C 223473040 FFMGAHHOIMZGLY-APWZRJJASA-N 343.442 4.786 0 40 EJAB COc1ccc(C(=O)NC(C)C)cc1COc1ccc2ccccc2c1 224309296 FAGZMMUXDDHVDT-UHFFFAOYSA-N 349.430 4.566 0 40 EJAB COc1ccc(NC(=S)NCCCc2ccc(C)cc2)cc1Cl 225387600 NDQCEBUKZSCFJV-UHFFFAOYSA-N 348.899 4.576 0 40 EJAB Cc1ccc(C(=O)Nc2ccc(Br)c(Cl)c2)c(C)c1 225477601 XZNTUYVYTBAPQI-UHFFFAOYSA-N 338.632 4.972 0 40 EJAB Cc1[nH]c2ccccc2c1-c1nc(O)c2c3c(sc2n1)CCCC3 408735511 TWSMBCHFVUECMD-UHFFFAOYSA-N 335.432 4.732 0 40 EJAB O=C(c1ccccc1C(F)(F)F)N1CCc2sc(Cl)cc2C1 575616558 QESVQRBIGKFJKP-UHFFFAOYSA-N 345.773 4.619 0 40 EJAB C[C@@H](NC(=O)c1cnn2ccccc12)c1ccc(Cl)c2ccccc12 1138653102 NFOCMDDSWBAPMS-CYBMUJFWSA-N 349.821 4.632 0 40 EJAB O=C1c2ccccc2N[C@@H](c2cccc(F)c2)N1Cc1ccccc1 70056 HVRQQORHBNXQKX-HXUWFJFHSA-N 332.378 4.592 0 40 EJAB CCOP(=O)(OCC)[C@]1(O)[C@H]2CCC[C@@H]1C1=C(CCCC1)[C@@H]2C 1739176 GVPXFXTZGMNTTH-VIBAHUMZSA-N 342.416 4.878 0 40 EJAB CSc1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)c1 3548726 GCDOYHWGOOPQFV-GFCCVEGCSA-N 335.856 4.776 0 40 EJAB CCSc1nnc(-c2cc3cc4ccccc4nc3s2)n1CC 4053804 VVKZSQUPDSHAKV-UHFFFAOYSA-N 340.477 4.840 0 40 EJAB Cc1ccc(OCC(=O)Nc2ccccc2Oc2ccccc2)cc1 4666650 BOQJRKKILMZEQQ-UHFFFAOYSA-N 333.387 4.805 0 40 EJAB CC(C)=C[C@H]1[C@@H](C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)C1(C)C 4753546 ITSBNEWNJSOISB-RRKHAYERSA-N 329.528 4.946 0 40 EJAB Cc1c(C(=O)Nc2ccc(C(C)C)cc2)oc2c1[C@H](O)CC(C)(C)C2 5323168 VQJDPESVIAABRN-MRXNPFEDSA-N 341.451 4.970 0 40 EJAB Cc1ccccc1Nc1nc(-c2ccc(F)cc2)c(CC(=O)O)s1 5615633 LNKVXPYNDLUCOM-UHFFFAOYSA-N 342.395 4.628 0 40 EJAB CCOc1cc([C@@H](C)c2ccc(OC)cc2)c(OCC)cc1OC 5841278 WXHKOTJHEIOHDH-AWEZNQCLSA-N 330.424 4.653 0 40 EJAB c1ccc(Oc2ccccc2CSc2nnc3ccccn23)cc1 6170972 ZSZINMGLELQAGV-UHFFFAOYSA-N 333.416 4.814 0 40 EJAB Cc1ccc(CSCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 6392678 LWMZIVDJBAVHJT-UHFFFAOYSA-N 339.382 4.886 0 40 EJAB CCOc1cc(C(=O)Nc2ccccc2F)cc(Cl)c1OCC 6439498 BODIDNFXAPVKDN-UHFFFAOYSA-N 337.778 4.529 0 40 EJAB COC(=O)c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 6950833 MUWXFFNWXWJIOC-UHFFFAOYSA-N 334.202 4.783 0 40 EJAB Cc1cccc(CSCC(=O)Nc2ccccc2C(F)(F)F)c1 7208818 NJGZNKSVYMIVPU-UHFFFAOYSA-N 339.382 4.886 0 40 EJAB O=C(Nc1ccc(Cl)c2ncsc12)c1ccc(Cl)s1 7598835 MLKPAABFRDJMDX-UHFFFAOYSA-N 329.233 4.917 0 40 EJAB Cc1ccc(/C=C/C(=O)N(CC(F)(F)F)[C@H](C)C2CC2)cc1Cl 7734647 QJGCSELPIZDJSR-FZKGZDJFSA-N 345.792 4.851 0 40 EJAB CCOc1ccc2ccccc2c1CNCCc1ccc(OC)cc1 8325125 MJMOMWDHCRSUHT-UHFFFAOYSA-N 335.447 4.579 0 40 EJAB O=C(O)Cc1sc(-c2cccs2)nc1-c1ccc(Cl)cc1 10217541 QYXLBNJWSIOYPE-UHFFFAOYSA-N 335.837 4.819 0 40 EJAB CCC(CC)c1nnc(NC(=O)c2cccc3ccccc23)s1 12775951 QVZBQRLHUSMNBP-UHFFFAOYSA-N 325.437 4.847 0 40 EJAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(OC(C)C)cc1 20046633 QUNGWKZHAVWGDC-LJQANCHMSA-N 341.451 4.887 0 40 EJAB Cc1cc(O[C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)cc(C)c1Cl 20483320 SQJNGJUPLBQPSX-ZIAGYGMSSA-N 349.833 4.741 0 40 EJAB c1ccc(Cc2noc(CSc3nc4ccccc4s3)n2)cc1 31647258 KVGMUKNYUQVORN-UHFFFAOYSA-N 339.445 4.562 0 40 EJAB CC(=O)Nc1cccc(-c2noc(-c3ccc(Cl)cc3Cl)n2)c1 32609948 DMCHTLZGRZKVLY-UHFFFAOYSA-N 348.189 4.669 0 40 EJAB Fc1ccccc1NCc1nc(-c2ccc(C(F)(F)F)cc2)no1 40040816 HGGDARMCLGFTBW-UHFFFAOYSA-N 337.276 4.507 0 40 EJAB Cc1ccc(NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)c(C)c1 40913169 ZEFWWPJDWVBEBA-HNNXBMFYSA-N 331.843 4.980 0 40 EJAB Cc1ccccc1N1C(=O)/C(=C/c2ccccc2)c2ccccc2C1=O 48310435 AHOOXEZRHSKRPN-HMMYKYKNSA-N 339.394 4.723 0 40 EJAB CCOC(=O)c1cccc(NC(=O)/C=C/c2cc3cc(C)ccc3o2)c1 67339720 LWJFKWPLVKIEPV-CSKARUKUSA-N 349.386 4.570 0 40 EJAB Cc1nc(N2CCCc3ccccc32)ccc1C(=O)c1ccccc1 72224957 NRCGVSSLJSZSGL-UHFFFAOYSA-N 328.415 4.705 0 40 EJAB Cc1nc(N2CCCc3ccccc32)ccc1[C@@H](N)c1ccccc1 72224969 NTDKWKSJGHHPMJ-QFIPXVFZSA-N 329.447 4.522 0 40 EJAB CCCOc1ccc(CNC(=O)c2ccc(Cl)cc2Cl)cc1 72331410 IRPLWAONNQDRLF-UHFFFAOYSA-N 338.234 4.712 0 40 EJAB CCc1ccc([C@H](C)NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1 78457673 QREAOIMQWPZMEW-KBPBESRZSA-N 331.843 4.547 0 40 EJAB Cc1cc(C)c2c(N)c(-c3nc4cc(Cl)ccc4o3)sc2n1 78546473 CCJBTPHOVSGDQW-UHFFFAOYSA-N 329.812 4.957 0 40 EJAB O=C(Cc1c(F)cccc1Cl)Nc1ccccc1OC1CCCC1 84506040 HUHNWRLFEDWGNE-UHFFFAOYSA-N 347.817 4.982 0 40 EJAB C[C@@H](NC(=O)N(C)[C@@H]1CCc2ccccc21)c1ccc2c(c1)CCCC2 84651754 LTZHVWHWMAGPDX-OPAMFIHVSA-N 348.490 4.955 0 40 EJAB C[C@@H]1CN(C(=O)c2csc(-c3ccoc3)n2)c2ccccc2S1 88221402 ULVFNIMIZOSQDV-LLVKDONJSA-N 342.445 4.544 0 40 EJAB O=C(c1ccco1)N1N=C(c2ccco2)C[C@@H]1c1cccc(Cl)c1 95116076 IIDNXTQRTXLPCY-OAHLLOKOSA-N 340.766 4.518 0 40 EJAB CC(C)(C)OC(=O)N1CC=C(c2cc(-c3ccccc3)ccn2)CC1 98175373 RVAHZZAXRMQIJU-UHFFFAOYSA-N 336.435 4.773 0 40 EJAB CC(C)c1ccc(CCCNC(=O)COc2cccc(Cl)c2)cc1 222773300 GADMARNXGMKGMA-UHFFFAOYSA-N 345.870 4.591 0 40 EJAB COc1ccc(C(=O)Nc2c(C)cccc2C)cc1COCC(C)C 224447364 WCJJZAJDYQVBHT-UHFFFAOYSA-N 341.451 4.737 0 40 EJAB CCc1ccc(CC)c(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2)c1 224949147 RWDIRQQYUVRFDB-AWEZNQCLSA-N 345.870 4.549 0 40 EJAB CCCOC1(C(=O)Nc2ccc(OCC)c(C)c2)CCC(C)CC1 225669447 GSPUGIQPPSDUDK-UHFFFAOYSA-N 333.472 4.708 0 40 EJAB CCSc1ccccc1C(=O)N[C@H](CC)c1ccc(OC)c(C)c1 225677480 KYXHFTZDQSVRNE-QGZVFWFLSA-N 343.492 4.997 0 40 EJAB O=C(c1ccc(CSCc2ccccc2)cc1)N1CCCCC1 408776453 OIAAEXXMZYNMPW-UHFFFAOYSA-N 325.477 4.746 0 40 EJAB Cc1nc2sc(C(=O)c3ccc(Cl)cc3)c(N)c2c(C)c1C 69760 DQSXVKUEGGJUIW-UHFFFAOYSA-N 330.840 4.688 0 40 EJAB Cc1ccc(C)c(NC(=O)c2c3c(nc4ccccc24)CCCC3)c1 264475 NDYLZZNFVFJBQU-UHFFFAOYSA-N 330.431 4.983 0 40 EJAB S=C(Nc1ccccc1)NN(Cc1ccccc1)Cc1ccccc1 1098432 PROUHAARQWTBOH-UHFFFAOYSA-N 347.487 4.590 0 40 EJAB CCCN(CCc1cccs1)[C@H]1CCc2c(cccc2OC)C1 1541053 AXOQYAWBBDSEMG-KRWDZBQOSA-N 329.509 4.569 0 40 EJAB in-vitro Cc1ccc(S(=O)(=O)c2scc(-c3ccccc3)c2C)cc1 1635383 VMBDZEUERXPHKT-UHFFFAOYSA-N 328.458 4.865 0 40 EJAB CSc1nsc(SCSc2nc3ccccc3s2)n1 2535321 RLEQHYRHYWFFKV-UHFFFAOYSA-N 343.549 4.712 0 40 EJAB COc1ccc(-c2nc(NC(=O)CC3CCCC3)sc2C)cc1 3554316 CHSLFFZOELMHPF-UHFFFAOYSA-N 330.453 4.646 0 40 EJAB Fc1ccc2nc(Nc3nc4cc5c(cc4s3)OCO5)sc2c1 4137817 IMIGGQYIQJBUQY-UHFFFAOYSA-N 345.380 4.517 0 40 EJAB aggregator O=C(Nc1ccc2nsnc2c1)c1sc2ccccc2c1Cl 4257836 REIXOUOJAPTHLS-UHFFFAOYSA-N 345.836 4.812 0 40 EJAB O=C(Nc1ccccc1)Nc1c(-c2ccccc2)nc2ccccn12 4649866 IQKGPZRVXFXHJT-UHFFFAOYSA-N 328.375 4.645 0 40 EJAB CCCSc1ccccc1C(=O)N[C@H](C)CCc1ccccc1 4731912 NSEJJOUDSFPCSB-MRXNPFEDSA-N 327.493 4.940 0 40 EJAB CSc1ccc2nc(Nc3ccc4c(c3)OCCO4)sc2c1 5087687 KWXAGCZADJADKG-UHFFFAOYSA-N 330.434 4.533 0 40 EJAB CC[C@@H]1C[C@H](CC(=O)NC(=S)Nc2c(C)cc(C)cc2C)C1(C)C 5333307 TVONEUAFZJSLRA-HZPDHXFCSA-N 346.540 4.887 0 40 EJAB C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1cccc(Cl)c1Cl 6586258 LBNBVLUDAPVZMC-KXPSEFJGSA-N 337.250 4.595 0 40 EJAB CC[C@H](C)[C@H](C(=O)Nc1cc(C(=O)OC)ccc1C)c1ccccc1 7801236 XXUXHTOWRUTVMA-LIRRHRJNSA-N 339.435 4.550 0 40 EJAB Cc1cc(CSc2nnc(-c3cc4c(s3)CC[C@@H](C)C4)o2)on1 8325829 KZURLVMDRQDVDB-SECBINFHSA-N 347.465 4.512 0 40 EJAB Cc1ccc([C@@H]2CC(=O)Nc3[nH]nc(-c4ccc(Cl)cc4)c32)cc1 9546538 BJQHEJLZZGIXNJ-HNNXBMFYSA-N 337.810 4.513 0 40 EJAB Cc1sc2nc(SC(C)C)[nH]c(=O)c2c1-c1ccc(F)cc1 11541287 QKTLLLYWCZQYJQ-UHFFFAOYSA-N 334.441 4.600 0 40 EJAB C[C@H](NC(=O)c1ccccc1COc1ccccc1)c1ccccc1 12766930 XFPRUIHRHVMYDL-KRWDZBQOSA-N 331.415 4.757 0 40 EJAB Cc1cccc(NC(=O)c2cc(-c3ccco3)nc3onc(C)c23)c1C 12923573 QALZUBLKKMLQJM-UHFFFAOYSA-N 347.374 4.660 0 40 EJAB Cc1ccc2oc(-c3ccccc3)c/c(=N\Cc3cccnc3)c2c1 16755001 YYYGMHZTTIAHRR-HIXSDJFHSA-N 326.399 4.904 0 40 EJAB CSc1ccccc1C(=O)Nc1ccc(Cc2ccncc2)cc1 17446651 AMEUJOFLSPEYFU-UHFFFAOYSA-N 334.444 4.647 0 40 EJAB C[C@H](Sc1ccccc1)C(=O)NCc1cccc(C(F)(F)F)c1 24578155 FXNSBQUDVHVRIF-LBPRGKRZSA-N 339.382 4.502 0 40 EJAB CC(=O)c1cccc(NC(=O)Nc2nc3c(C)cc(C)cc3s2)c1 28304132 RYDAWHSTLIJGJW-UHFFFAOYSA-N 339.420 4.760 0 40 EJAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCCSC(C)(C)C 30860793 NOAASGQAVSIPHF-KRWDZBQOSA-N 345.508 4.645 0 40 EJAB CC(C)c1ccc(Sc2ccc(C(=O)N3CCCC3)cn2)cc1 32829487 VWENFSIVOALFLA-UHFFFAOYSA-N 326.465 4.592 0 40 EJAB C[C@@H]1CCCN(Cc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)C1 38833903 DPVFELTWCQXKCW-OAHLLOKOSA-N 342.870 4.824 0 40 EJAB O=C(CCCSc1ccccc1)N1CCC[C@H]1c1ccsc1 46912735 WSMAEYGYGDZNCM-KRWDZBQOSA-N 331.506 4.984 0 40 EJAB CCc1ccc([C@@H]2C[C@@H](C)CCN2c2ncnc3ccsc23)o1 83825417 TYFYBKFYAIPFQQ-WFASDCNBSA-N 327.453 4.824 0 40 EJAB Cc1cc(N[C@@H](c2ccccc2F)c2nccn2C)c2ccccc2n1 89583081 BJAFXRHYFZXHBC-FQEVSTJZSA-N 346.409 4.617 0 40 EJAB Cc1nc(-c2cccs2)ccc1C(=O)N(CC(F)(F)F)C(C)C 95364804 AUXWDTNIGFOAAN-UHFFFAOYSA-N 342.386 4.531 0 40 EJAB CCCCCCn1cc(/C=C2/SC(=O)NC2=O)c2ccccc21 98086300 LOZPHZWSUVQJKN-LFIBNONCSA-N 328.437 4.546 0 40 EJAB CC(=O)c1cc(C)ccc1OC(=O)c1cc(Cl)ccc1OC(C)C 113839130 GWTVIYDWEGSGAU-UHFFFAOYSA-N 346.810 4.857 0 40 EJAB O=C(c1ccsc1)N1CCS[C@@H](c2ccccc2Cl)CC1 206994517 AZYCIVWGAPAJMP-OAHLLOKOSA-N 337.897 4.722 0 40 EJAB CCCNC(=O)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 224957700 REZPYXZBGQLOPR-UHFFFAOYSA-N 340.810 4.802 0 40 EJAB Cc1ccccc1[C@H](NC(=O)CCc1ccccc1F)c1ccccc1 225318488 LFJHSQJTRIZULN-HSZRJFAPSA-N 347.433 4.973 0 40 EJAB CSc1nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2s1 282252 UJGWFWQLNDBESS-UHFFFAOYSA-N 334.853 4.924 0 40 EJAB CCN(CC)c1ncnc2c1sc1nc(C(C)C)c3c(c12)CCC3 521916 ORRVSOOGYVAMIP-UHFFFAOYSA-N 340.496 4.698 0 40 EJAB Cc1ccc(-c2nc3ncccc3n2OCc2ccccc2Cl)cc1 1400193 KNQHCDBNSOUKLO-UHFFFAOYSA-N 349.821 4.689 0 40 EJAB CC(C)CCOC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 3252442 TVWQVRMVRMSKCE-UHFFFAOYSA-N 334.419 4.742 0 40 EJAB CC(=O)C(=Cc1ccccc1)C(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 4266892 FDAUAWCWYPKAFJ-QKYXUNIQSA-N 328.452 4.663 0 40 EJAB biogenic Oc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)cc1 4954230 ZJTSWZBWWAXWJL-IFMALSPDSA-N 342.398 4.635 0 40 EJAB O=C(CSc1ccc(F)cc1)Nc1cc(Cl)cc(Cl)c1 5192505 HQBMIRCEQKZHDO-UHFFFAOYSA-N 330.211 4.863 0 40 EJAB CC(=O)[C@H](C)Sc1nc(C)nc2sc(-c3ccccc3)cc12 6114441 RJFJCSSGYFOCRZ-NSHDSACASA-N 328.462 4.736 0 40 EJAB COc1ccc(-c2n[nH]c(SCc3c(F)cccc3Cl)n2)cc1 6141901 SJQDXFVVRYQOQG-UHFFFAOYSA-N 349.818 4.565 0 40 EJAB CC1=C(C(=O)OC(C)(C)C)C(c2ccccc2)=C(c2ccccc2)NO1 6393491 ZJAMZOJCEZNNMZ-UHFFFAOYSA-N 349.430 4.705 0 40 EJAB CC(=O)[C@@H](Oc1ccc(C(=O)c2ccc(F)cc2)cc1)c1ccccc1 6881523 YCDBVVPFUDDCJT-JOCHJYFZSA-N 348.373 4.766 0 40 EJAB CC[C@H](C)c1ccccc1OCC(=O)N[C@H]1CCCc2ccccc21 7063524 WOFKUXJXCQXTEH-JXFKEZNVSA-N 337.463 4.773 0 40 EJAB O=C(CSc1nc2ccccc2s1)N(C1=CCCCC1)C1CC1 7338892 IEDJGIYUIURCSR-UHFFFAOYSA-N 344.505 4.837 0 40 EJAB O=C(Cc1ccc(Cl)cc1)Nc1ccc(-c2nccs2)cc1 7684180 VZDQTOQKDLWKLF-UHFFFAOYSA-N 328.824 4.645 0 40 EJAB COc1ccc2cc(CN(C)C(=O)c3ccc4c(c3)CCC4)ccc2c1 8360857 RUHVBSWSRFPUMJ-UHFFFAOYSA-N 345.442 4.609 0 40 EJAB Cc1ccn2c(=O)cc(CSCc3cccc4ccccc34)nc2c1 9836301 GCKNBANYUQAMCG-UHFFFAOYSA-N 346.455 4.590 0 40 EJAB Cc1cnc(NC(=O)c2csc(-c3ccc(C(C)C)cc3)n2)s1 12850454 BHFILMDUFDLYJZ-UHFFFAOYSA-N 343.477 4.951 0 40 EJAB O=C(Nc1cccc(Br)c1)[C@@H]1CCCc2ccccc21 12918307 SOKJLZBVUGQWBF-MRXNPFEDSA-N 330.225 4.508 0 40 EJAB FC(F)(F)c1ccccc1NC(=S)NCCCc1ccccc1 13817398 PISNWBVGRJGBGW-UHFFFAOYSA-N 338.398 4.625 0 40 EJAB Cc1ccc(F)cc1NC(=S)Nc1cccc(Br)c1 16941932 WYZLXPKFZFATHM-UHFFFAOYSA-N 339.233 4.706 0 40 EJAB C[C@H](Sc1ccc(N)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 17071356 JSROSNJVDYDFER-VIFPVBQESA-N 341.263 4.695 0 40 EJAB Cc1csc([C@@H](Cc2cccs2)NCc2ccccc2F)n1 19240102 DOSGJZOIMJVRPZ-MRXNPFEDSA-N 332.469 4.726 0 40 EJAB Cc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1 20493335 IHQWROWYYSPYMB-IRXDYDNUSA-N 325.452 4.763 0 40 EJAB COCc1cccc(NC(=O)Cc2ccc(-c3ccccc3)cc2)c1 25334877 LVULVOIMBQVGRN-UHFFFAOYSA-N 331.415 4.681 0 40 EJAB Cc1ccc(Oc2cccc(NC(=O)Nc3cccc(C)c3C)c2)nn1 38670767 FKUANYOPMFEKNX-UHFFFAOYSA-N 348.406 4.838 0 40 EJAB O=C(Cc1c(F)cccc1Cl)Nc1cc(Cl)cc2cccnc12 40052630 FNFRHESBRLNJEC-UHFFFAOYSA-N 349.192 4.862 0 40 EJAB COc1ccccc1-c1cc(NC(=O)C(C)(C)C)n(-c2ccccc2)n1 41085970 BOWKYTMVMBKBRU-UHFFFAOYSA-N 349.434 4.533 0 40 EJAB COC(=O)Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1Cl 41127256 OKSWHFROPMZOSL-UHFFFAOYSA-N 336.174 4.517 0 40 EJAB Cc1ccccc1NC(=O)N(Cc1ccsc1)CC(F)(F)F 44447756 PHJYREBZBMYWHR-UHFFFAOYSA-N 328.359 4.653 0 40 EJAB CC(C)Oc1ccccc1C(=O)NCc1ccc(Cl)cc1Cl 44837180 FXTJUISKRMJUKZ-UHFFFAOYSA-N 338.234 4.711 0 40 EJAB O=C(/C=C/c1cscn1)Nc1cccc(C2SCCCS2)c1 64897356 PRXZHIPFCHQOSR-AATRIKPKSA-N 348.518 4.664 0 40 EJAB Cc1cc(C)c2c(-c3ccccc3)nc(SCc3cccnc3)n2n1 70003838 DMYQXTAROIUAFH-UHFFFAOYSA-N 346.459 4.700 0 40 EJAB CN(C(=O)c1cnc(-c2ccccc2F)s1)C1CCCCCC1 78702676 SBBSYMAGGSYXKL-UHFFFAOYSA-N 332.444 4.744 0 40 EJAB CC(C)(C)c1ccc(CNC(=O)c2ccc(Br)cc2)cc1 84847107 XENWCUSSJGVWQX-UHFFFAOYSA-N 346.268 4.677 0 40 EJAB COc1ccc([C@H](C)NC(=O)/C(=C/c2ccco2)c2ccccc2)cc1 216354615 RRNKLTMYSBFXEH-WASCAKKMSA-N 347.414 4.706 0 40 EJAB CCO[C@@](C)(CC)C(=O)Nc1ccc(OC(C)C)c2ccccc12 225817965 XDLFXSVCTVEHOA-FQEVSTJZSA-N 329.440 4.771 0 40 EJAB Cc1cc(N)c(NC(=O)c2ccc(Cl)cc2Cl)cc1Cl 226347385 USIDBZBUVVEUKT-UHFFFAOYSA-N 329.614 4.790 0 40 EJAB C[C@]12CC[C@@H]3[C@H](CC[C@@]4(C)CC5(CC[C@@]34C)OCCO5)[C@@H]1CCC2=O 253617278 GOQSFMJREPWSEI-INWOFZLFSA-N 346.511 4.731 0 40 EJAB CCc1nc2ccc(F)cc2c(C(=O)N[C@H]2CCCC[C@H]2C)c1C 920357 WEKTWUWLWLMTRG-PXAZEXFGSA-N 328.431 4.553 0 40 EJAB CCN(C(=O)c1cccc(F)c1)c1nc(-c2ccc(C)cc2)cs1 932658 AGWWJFGLNDPAME-UHFFFAOYSA-N 340.423 4.924 0 40 EJAB O=C(Cc1ccc(Cl)cc1)Nc1ccc(SC(F)F)cc1 3294146 PRTIBHBKPFBRPF-UHFFFAOYSA-N 327.783 4.836 0 40 EJAB COc1ccccc1C(=O)N(Cc1ccccc1)Cc1ccccc1 4425758 WIYOBVYYYHFTTG-UHFFFAOYSA-N 331.415 4.538 0 40 EJAB Cc1ccc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc1C 5083852 MUSBWLMVKAEOHN-UHFFFAOYSA-N 347.443 4.932 0 40 EJAB Cc1ccc(-c2cc(C(=O)Nc3cccnc3)c3ccccc3n2)cc1 5935785 NKNRQGQOZOMJQJ-UHFFFAOYSA-N 339.398 4.858 0 40 EJAB Cc1ccc2c(c1)Cc1c(O)nc(-c3cccc(OC(C)C)c3)nc1O2 6748552 UWLFURMUXCUVJU-UHFFFAOYSA-N 348.402 4.641 0 40 EJAB CC[C@H](C)c1ccccc1NC(=O)[C@H](C)N(C)Cc1cccc(F)c1 6861464 OHCCMVJVEZHNJA-HOTGVXAUSA-N 342.458 4.798 0 40 EJAB Cc1ccc(NC(=O)CCCOc2cccc(Br)c2)cc1 7652061 RRDBVIGOARLMQJ-UHFFFAOYSA-N 348.240 4.555 0 40 EJAB CCOc1ccccc1COc1ccccc1C(=O)Nc1ccccc1 7896167 PEYNTZZITPEEAN-UHFFFAOYSA-N 347.414 4.917 0 40 EJAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccc2ccccc2c1 8497845 FGPNBQQNORADFX-SFHVURJKSA-N 335.403 4.645 0 40 EJAB CCOc1ccc([C@@H](C)NC(=O)Cc2ccc3ccccc3c2)cc1 10977752 ZQCFPYNUCMKBMS-MRXNPFEDSA-N 333.431 4.658 0 40 EJAB CCOc1ccc(-c2cc(C(=O)Nc3ccc(C)cc3C)no2)cc1 11915167 NWQQCTMVFIPXQK-UHFFFAOYSA-N 336.391 4.609 0 40 EJAB CC[C@@H](O)c1nc2ccccc2n1CCCOc1ccc(C)c(C)c1 12418924 VIOPWJMWJCJPCU-HXUWFJFHSA-N 338.451 4.566 0 40 EJAB CCOC(=O)c1cc2c(C(F)(F)F)cc(C(F)(F)F)nc2s1 12584662 BRTFADYBQAAYPY-UHFFFAOYSA-N 343.248 4.511 0 40 EJAB CC(=O)c1ccccc1NC(=O)c1csc(-c2ccc(C)cc2)n1 12821299 RKYNGEGZMXJBIV-UHFFFAOYSA-N 336.416 4.573 0 40 EJAB Cc1nnc(Sc2nc(-c3cccs3)nc3ccccc23)s1 14242552 PCUOJLVIEXPMMM-UHFFFAOYSA-N 342.474 4.669 0 40 EJAB Cc1c(N)cccc1C(=O)Nc1cc(C(F)(F)F)ccc1Cl 20194586 SPYYSTCWSFRVMV-UHFFFAOYSA-N 328.721 4.502 0 40 EJAB C[C@H](CCc1ccccc1)NC(=O)CCC(=O)c1ccc(Cl)s1 27460738 GMHQQNAYRJWTJR-CYBMUJFWSA-N 349.883 4.502 0 40 EJAB O=C(COc1ccccc1Cl)Nc1ccc(OC2CCCC2)cc1 29024723 BTSZCTPXEGSAPK-UHFFFAOYSA-N 345.826 4.679 0 40 EJAB Cc1cc(C)c2nc(NC(=O)Nc3ccc(F)cc3F)sc2c1 32609625 YLZXHOZCEAOVQZ-UHFFFAOYSA-N 333.363 4.835 0 40 EJAB Fc1ccc(COc2ccccc2C(=S)N2CCCCC2)cc1 33651942 QCBNTNFPRVNWCZ-UHFFFAOYSA-N 329.440 4.566 0 40 EJAB COc1cccc([C@@H](C)N[C@@H](C)c2cccc(Br)c2)c1 37507758 SORHILJROYFRNC-QWHCGFSZSA-N 334.257 4.870 0 40 EJAB C[C@H](Cc1cccs1)NC(=O)C1c2ccccc2Oc2ccccc21 38565898 YEXRLADSMLZCOK-CQSZACIVSA-N 349.455 4.733 0 40 EJAB CC(C)c1nnc(CN(C)[C@H](c2ccccc2)c2ccc(F)cc2)o1 69484579 FYEZKQHXQIHPCW-LJQANCHMSA-N 339.414 4.554 0 40 EJAB CC1=Nc2c(c(O)nn2C2CCCCC2)[C@H](c2cccc(O)c2)S1 71287910 WVYGOUCWRPWFIK-INIZCTEOSA-N 343.452 4.686 0 40 EJAB CCc1ccc([C@@H](C)NC(=O)COc2cccc3ccccc23)cc1 78457861 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Cc1cnc(NC(=O)CCCSc2nc3ccccc3s2)s1 2639521 MWWKKGIBVMXWBA-UHFFFAOYSA-N 349.506 4.572 0 40 EJAB aggregator O=C(NC(c1ccccc1)c1ccccc1)c1cc2c(s1)CCC2 3230858 FWXOKWZGUXSVQB-UHFFFAOYSA-N 333.456 4.756 0 40 EJAB COc1ccc2c(c1)CCC1=C2OC(=O)C(C)(C)[C@@H]1c1ccccc1 3850190 QBBSZJMLIXHHEH-LJQANCHMSA-N 334.415 4.719 0 40 EJAB biogenic O=C(CSc1ccc(Cl)cc1)N[C@H]1CCCc2ccccc21 5105302 MUMSXEXPJNHOAJ-KRWDZBQOSA-N 331.868 4.626 0 40 EJAB CCn1cc(NC(=O)NCc2ccccc2Cl)c2ccccc21 5266051 LXHXSAAORIPUSR-UHFFFAOYSA-N 327.815 4.636 0 40 EJAB O=C(Cc1cccc2ccccc12)N[C@H]1CCSc2ccccc21 5425383 VXKAVEHLPBHUKH-IBGZPJMESA-N 333.456 4.736 0 40 EJAB CCN(C(=O)c1cccc(NC(=O)c2ccccc2)c1)c1ccccc1 6274657 TYVZMJSBMMUNCQ-UHFFFAOYSA-N 344.414 4.606 0 40 EJAB Cc1cc(SCC(=O)Nc2c(F)cccc2F)nc2ccccc12 6790362 WOPOJDAJMKIJBO-UHFFFAOYSA-N 344.386 4.552 0 40 EJAB O=C(CSc1nnc(C2CC2)o1)c1ccc(C2CCCCC2)cc1 7289738 ICNGKLJEJFHUBV-UHFFFAOYSA-N 342.464 4.970 0 40 EJAB O=C(c1ccccc1)C1CCN(C(=O)c2cccc3ccccc23)CC1 9986262 BFJPZXITLRCPBU-UHFFFAOYSA-N 343.426 4.575 0 40 EJAB Cc1cc(OCC(=O)Nc2cccc(OC(C)C)c2)cc(C)c1Cl 10715417 QOPFKAFAHXYORD-UHFFFAOYSA-N 347.842 4.762 0 40 EJAB CCc1ccc(C2=NN=C(Nc3cccc(Cl)c3)SC2)s1 11114504 AIKNLAOPDDEOAI-UHFFFAOYSA-N 335.885 4.883 0 40 EJAB Cc1[nH]c2ccccc2c1C(=O)Nc1ccc(N2CCCCC2)cc1 12557695 JDYAFNBAKPGOLW-UHFFFAOYSA-N 333.435 4.719 0 40 EJAB CCOc1ccccc1NC(=O)c1csc(-c2cccs2)n1 12879011 XEZSLDPHGIZCAL-UHFFFAOYSA-N 330.434 4.523 0 40 EJAB O=C(Nc1ccc(Br)cc1)[C@@H]1CCCc2ccccc21 13015046 LXJQHVFCFPGCPN-MRXNPFEDSA-N 330.225 4.508 0 40 EJAB CC[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(OC)cc1 20110656 DRFADYSJXKMJRX-LJQANCHMSA-N 325.452 4.874 0 40 EJAB COc1ccc(-c2nc3cc(C)c(C)c(Br)c3o2)cc1 20156821 FFTKOSCKNIGKCA-UHFFFAOYSA-N 332.197 4.883 0 40 EJAB C[C@@H]([C@@H](O)c1ccccc1)N(Cc1ccccc1)Cc1ccccc1 31923526 BOZCOAZLVQXGKP-WMZHIEFXSA-N 331.459 4.811 0 40 EJAB O=C(/C=C/c1ccco1)NCc1cccc(Oc2ccc(F)cc2)c1 44451188 GNHTVZNGKHVVJC-ZHACJKMWSA-N 337.350 4.541 0 40 EJAB CCOc1ccc2cccc(NC(=O)c3ccc(Cl)s3)c2n1 49415290 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4.667 0 40 EJAB Fc1ccc(CSc2nnc(NCc3ccccc3)s2)cc1 6029611 CSAGVPRNUISJHJ-UHFFFAOYSA-N 331.441 4.582 0 40 EJAB O=C1c2ccccc2CC[C@]12N=NC[C@@H]2c1cccc2ccccc12 6252901 PMTPINJVWYIZMT-IFMALSPDSA-N 326.399 4.957 0 40 EJAB CCOc1cc(/C=C/C(=O)O)ccc1OCc1cccc2ccccc12 11801748 WOHRLGFQUDKWQD-ACCUITESSA-N 348.398 4.915 0 40 EJAB CCCCCc1nc2ccccc2n1CC(=O)Nc1ccc(C)cc1 12311982 MLZQNGYHUJUWLH-UHFFFAOYSA-N 335.451 4.716 0 40 EJAB Brc1ccccc1[C@@H]1SCc2nc3ccccc3n21 13223024 CTFKPXQJNIZGEL-HNNXBMFYSA-N 331.238 4.593 0 40 EJAB Cc1ccc(CCCNC(=O)/C(=C/c2ccco2)c2ccccc2)cc1 13613122 CKKYIDVBNUFHEM-OQKWZONESA-N 345.442 4.878 0 40 EJAB CC(C)Oc1cccc(NC(=O)c2ccc(N3CCCCC3)cc2)c1 14400008 GIEHCKRPPPKIOP-UHFFFAOYSA-N 338.451 4.716 0 40 EJAB O=c1[nH]nc(-c2ccc(Cl)cc2)c2cc(Cl)c(Cl)cc12 16941005 FPCOZAVDVYKGES-UHFFFAOYSA-N 325.582 4.550 0 40 EJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@H](CC)c1ccccc1 19934686 ITAJZJNNRGPDRV-QZTJIDSGSA-N 331.843 4.765 0 40 EJAB CC(C)Oc1ccc(CNC(=O)c2ccc(Cl)cc2Cl)cc1 20043736 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S=C(NCC1(c2ccc(Cl)cc2)CCCC1)Nc1cccnc1 223977417 PBIDDAUWCUAXNZ-UHFFFAOYSA-N 345.899 4.533 0 40 EJAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NC(C)(C)CC(C)(C)C 225106855 GCJMKVOKSKJKKW-HNNXBMFYSA-N 331.500 4.664 0 40 EJAB CCOc1ccc(NC(=O)[C@]2(OC)CCC[C@H](C)C2)c2ccccc12 225809839 HPEOSIVNJNKSCX-BTYIYWSLSA-N 341.451 4.772 0 40 EJAB CCOc1ccccc1C(=O)N[C@H](c1ccsc1)c1cccs1 390827063 SUXPPXLJFMZZPT-QGZVFWFLSA-N 343.473 4.728 0 40 EJAB CCN(CC)CCOc1ccc(F)cc1Oc1cccc(Cl)c1 585265224 JKXUFECZVFKNRD-UHFFFAOYSA-N 337.822 4.992 0 40 EJAB CC(C)[C@@H]1N(C(=O)Cc2ccc(Cl)c(Cl)c2)CC12CCC2 622613584 TUCPCGQVOXXHNH-INIZCTEOSA-N 326.267 4.573 0 40 EJAB CC(C)Cc1ncc(C(=O)N2[C@H](C)Cc3cc(F)ccc3[C@H]2C)s1 1518646945 TZHNQYJSQBDDCT-CHWSQXEVSA-N 346.471 4.629 0 40 EJAB CC1(C)CC[C@H](NC(=O)CCc2cscn2)[C@H](c2ccccc2)C1 1632867043 MQHAAWUKPKKHGW-ROUUACIJSA-N 342.508 4.554 0 40 EJAB COc1ccc(Nc2cc(C)nc3c(OC)cccc23)cc1Cl 303370 OZLKARQWTHDVJV-UHFFFAOYSA-N 328.799 4.957 0 40 EJAB Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1 362567 JDCPDFHGBOAVEH-UHFFFAOYSA-N 337.872 4.747 0 40 EJAB Cc1ccc(C(=O)Nc2ncnc3sc4c(c23)CCCCC4)cc1 522428 HFYCAENNEUKTHZ-UHFFFAOYSA-N 337.448 4.521 0 40 EJAB Cc1ccc(C(=O)Nc2ccc3oc(-c4cccnc4)nc3c2)c(C)c1 557876 USGCYXBWLGCCTL-UHFFFAOYSA-N 343.386 4.759 0 40 EJAB O=C1Nc2cc(Cl)ccc2/C1=C/c1cccc(Br)c1 573344 VJNYURUXGLKCGV-QPEQYQDCSA-N 334.600 4.595 0 40 EJAB CCOc1ccc(C(=O)Oc2ccc(C(=O)c3ccccc3)cc2)cc1 1017089 XQRDQIVXLJUPRZ-UHFFFAOYSA-N 346.382 4.536 0 40 EJAB C[C@H](Oc1cc(Cl)c(Cl)cc1Cl)C(=O)OCc1ccco1 1737664 WWAOSFZMZJZFHJ-QMMMGPOBSA-N 349.597 4.751 0 40 EJAB Cc1cc(C(=O)Nc2nc3c(C)cccc3s2)c2ccccc2n1 2646040 JNUNZVYOZPKVEA-UHFFFAOYSA-N 333.416 4.714 0 40 EJAB O=c1nc2n(c3ccccc13)CC/C2=C\c1cccc(Cl)c1Cl 5451168 ADYAGDQFLFCWPY-ZRDIBKRKSA-N 343.213 4.648 0 40 EJAB Cc1cccc(NC(=O)COc2ccc3c(c2)[nH]c2ccccc23)c1 5498101 MMBHZGSVMUZBTG-UHFFFAOYSA-N 330.387 4.647 0 40 EJAB O=C(/C=C/c1cccc(Cl)c1)N[C@H](c1ccccc1)c1ccco1 7808763 CYEKOSQFXAVEPZ-YVNCXZRQSA-N 337.806 4.852 0 40 EJAB Cc1ccc2nc(-c3ccccc3)c(NC(=O)[C@@H]3CC=CCC3)n2c1 7990634 CMQZCCTVJHEXFW-QGZVFWFLSA-N 331.419 4.605 0 40 EJAB CC(=O)Oc1ccc(-c2cccc(C(=O)Nc3cccc(C)c3)c2)cc1 8343790 QVPUFIKPGBUSGE-UHFFFAOYSA-N 345.398 4.840 0 40 EJAB Cc1sc(NC(=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1 12783008 FNSDKBIHJVXGDU-UHFFFAOYSA-N 348.349 4.788 0 40 EJAB COc1ccc(OC)c(Nc2cc(-c3ccc(C)cc3)nc(C)n2)c1 15859129 NCSCHMGHQFJIAC-UHFFFAOYSA-N 335.407 4.521 0 40 EJAB C[C@H](c1ccccc1)n1c(S)nnc1CSCc1ccccc1 17071478 YVSVSHCBILHZFQ-CQSZACIVSA-N 341.505 4.610 0 40 EJAB CC[C@H](NC(=O)[C@H](C)Oc1cc(C)cc(C)c1C)c1ccccc1 20044059 LIDKKVAUYFCNTR-HKUYNNGSSA-N 325.452 4.647 0 40 EJAB O=C(CCc1ccc(Cl)cc1)NCc1cccc(C(F)(F)F)c1 28576992 FECJFMSQAKUNHK-UHFFFAOYSA-N 341.760 4.608 0 40 EJAB CC[C@H](NC(=O)[C@@H](C)Oc1ccc2ccccc2c1)c1ccccc1 30866625 FMZUSEZJDHCITG-IERDGZPVSA-N 333.431 4.875 0 40 EJAB Cc1cc2cc(NS(=O)(=O)c3c(C)c(C)cc(C)c3C)ccc2[nH]1 31721957 HWMJFOFKBBECGQ-UHFFFAOYSA-N 342.464 4.511 0 40 EJAB COC(=O)c1c(O)cccc1CCc1ccc(-c2ccccc2)cc1 35973632 CDPFJCHYQYCBSY-UHFFFAOYSA-N 332.399 4.631 0 40 EJAB COCc1ccccc1NC(=O)Cc1coc2ccc3ccccc3c12 44549488 FGFQCBKQOXSUQS-UHFFFAOYSA-N 345.398 4.914 0 40 EJAB O=C(Nc1ccc(NC2CCOCC2)cc1)Nc1ccccc1Cl 58245656 LFKRRMIRKDAWSG-UHFFFAOYSA-N 345.830 4.575 0 40 EJAB O=C(Nc1cccc2ccccc12)N[C@@H]1C[C@H]1c1c(F)cccc1F 89873249 XTBUUEGENNFEOS-RDTXWAMCSA-N 338.357 4.796 0 40 EJAB C[C@@H](N[C@@H](c1ccccc1)C1CCCCC1)c1nnc2ccccn12 95350755 XMNOPTVIEGMIKN-UZLBHIALSA-N 334.467 4.702 0 40 EJAB C[C@@H](NC(=O)Nc1ccc(-c2ncco2)cc1)c1c(F)cccc1F 95452785 YECIJRCJIYGNGX-LLVKDONJSA-N 343.333 4.503 0 40 EJAB CC1(C)C[C@H]2C[C@@](C)(CN2c2ncnc3sc4c(c23)CCCC4)C1 100273405 ZXKKXZFPKWPHJY-RNODOKPDSA-N 341.524 4.975 0 40 EJAB NN1C(=S)N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1 200200325 DEBGZKKWACVPLZ-CBHFYSFPSA-N 347.487 4.527 0 40 EJAB CCNc1ccc(-c2cc3ccccc3oc2=O)c(Br)c1 216939034 CKHWOIJDWYHZSM-UHFFFAOYSA-N 344.208 4.654 0 40 EJAB CCc1ccc(OCC(=O)N[C@H](CC)c2ccc(C)c(C)c2)cc1 218957329 QYMFRPGWPMQVDZ-HXUWFJFHSA-N 325.452 4.512 0 40 EJAB CCCOCc1cc(C(=O)Nc2c(C)cccc2C)ccc1OCC 224704438 HUCSHZKVQFLPKS-UHFFFAOYSA-N 341.451 4.881 0 40 EJAB CCCN(CCCC(=O)O)c1ccccc1Sc1ccccc1 225004711 IFIMVHYNLVAWNI-UHFFFAOYSA-N 329.465 4.919 0 40 EJAB COC1(C(=O)Nc2ccc(OC3CCCC3)c(C)c2)CCCCCC1 225632107 AVGKRICVFUDQHA-UHFFFAOYSA-N 345.483 4.994 0 40 EJAB COc1cccc(NC(=O)[C@@H]2[C@@H]3CC/C=C\CC/C=C/CC[C@@H]23)c1 252430950 VDKNMAMLBHJZFZ-NUPBTOGNSA-N 325.452 4.963 0 40 EJAB Cc1ccc(C)c(-c2csc(Nc3ccc(C(=O)O)c(O)c3)n2)c1 70714 XWNBZXZSRUCGNT-UHFFFAOYSA-N 340.404 4.574 0 40 EJAB Clc1ccc(Nc2c(-c3ccsc3)nc3ncccn23)cc1 428789 PBRJDYDJICVDOM-UHFFFAOYSA-N 326.812 4.855 0 40 EJAB CCOC(=O)c1sc(Nc2ccc(Cl)cc2Cl)nc1C 552254 VLRQPIOQXKNABY-UHFFFAOYSA-N 331.224 4.679 0 40 EJAB O=C(Nc1ccc(F)c(F)c1)c1cc(Br)ccc1Cl 2652158 MRALXNDATMTXFU-UHFFFAOYSA-N 346.558 4.633 0 40 EJAB Cc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(C)cc2)cc1 3087178 GIHKDSQCZKITDR-UHFFFAOYSA-N 344.414 4.808 0 40 EJAB c1ccc(-c2ccccc2OCc2ccc(-c3nnco3)cc2)cc1 3256247 SWODFQNDBWODBU-UHFFFAOYSA-N 328.371 4.983 0 40 EJAB O=C(OCc1c(F)cccc1Cl)c1cc2ccccc2cc1O 3313240 BTRMYTVOETZNLU-UHFFFAOYSA-N 330.742 4.695 0 40 EJAB O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1ccc2ccccc2n1 3364841 YYKRIJMFEVNUMB-UHFFFAOYSA-N 349.390 4.750 0 40 EJAB COc1ccc(Cl)cc1NC(=O)CCCc1c[nH]c2ccccc12 3396342 QRSFPBOGOJPVBQ-UHFFFAOYSA-N 342.826 4.791 0 40 EJAB CC(C)Sc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1 3432845 DJKNGAIIYCVSMM-UHFFFAOYSA-N 330.840 4.540 0 40 EJAB Cn1c(C(=O)N(Cc2ccccc2)C(C)(C)C)cc2sccc21 4971165 MTKRYGCMMBPUJX-UHFFFAOYSA-N 326.465 4.681 0 40 EJAB CNC(=O)O[C@H](C)CN1c2ccccc2Sc2ccc(Cl)cc21 5551291 MYSHPSQZNPPJAC-LLVKDONJSA-N 348.855 4.687 0 40 EJAB Cc1ccc(C(=O)NC(Cc2ccccc2)Cc2ccccc2)cc1 5698622 WSDGDCBWDRTEDE-UHFFFAOYSA-N 329.443 4.579 0 40 EJAB CCCC(=O)c1cn(CCOc2ccc(F)cc2)c2ccccc12 6417536 AZYUERMJGYACLZ-UHFFFAOYSA-N 325.383 4.842 0 40 EJAB CCCCc1ccc(NC(=O)CSCc2c(C)noc2C)cc1 7735697 DIUMWZOROQCVHQ-UHFFFAOYSA-N 332.469 4.506 0 40 EJAB Cc1ccccc1NC(=O)Cc1nc(-c2ccc3c(c2)CCC3)cs1 7736651 CIWUJHMKNGFOBD-UHFFFAOYSA-N 348.471 4.788 0 40 EJAB C[C@@H]1CCC[C@H](N[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)[C@@H]1C 12285032 SFZFJLNLICHCTF-FTIBCMOBSA-N 348.490 4.756 0 40 EJAB Cc1nc(-c2ccccn2)sc1C(=O)Nc1cc(Cl)ccc1F 12818568 COPHXBZZVDCFGM-UHFFFAOYSA-N 347.802 4.558 0 40 EJAB CCc1c(C(=O)c2[nH]c(C)c(C(C)=O)c2C)oc2ccc(F)cc12 12866767 QJQBHEYQJNQBKB-UHFFFAOYSA-N 327.355 4.513 0 40 EJAB Cc1nc(-c2ccccn2)sc1C(=O)Nc1cccc(Cl)c1C 12894752 GMNPMXMYBYVBJJ-UHFFFAOYSA-N 343.839 4.728 0 40 EJAB C[C@H](O)c1cccc(NC(=S)Nc2ccc(Cl)cc2Cl)c1 16576757 YBYBHGYOTNCRDS-VIFPVBQESA-N 341.263 4.856 0 40 EJAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N[C@H](C)c1ccc(C)cc1C 20044822 RCBYSJJIFOQPHL-UYAOXDASSA-N 339.479 4.955 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)CSCc2cccc(Cl)c2)cc1 20458915 DVJCXVIGPMDAAK-CQSZACIVSA-N 333.884 4.759 0 40 EJAB Cc1nn(-c2ccc(Cl)cc2)c2c1C(=O)C[C@@H](c1ccccc1)C2 20632759 GIWWZKHMUHCIBL-HNNXBMFYSA-N 336.822 4.747 0 40 EJAB O[C@H](COc1ccc(Cl)cc1)CSc1ccc(Cl)cc1 28292815 BALSDPGBDPKTOH-CYBMUJFWSA-N 329.248 4.525 0 40 EJAB COc1cccc([C@H]2CN(C(=O)OC(C)(C)C)c3ccccc3N2)c1 35572149 HAUHPUFGSJIAJK-QGZVFWFLSA-N 340.423 4.604 0 40 EJAB CC(C)c1ccccc1O[C@@H](C)C(=O)NCc1ccc(Cl)cc1 38754318 NIEQZQPCBQESFC-AWEZNQCLSA-N 331.843 4.547 0 40 EJAB Cc1ccc(NC(=O)N(C)Cc2ccccc2Br)c(C)c1 40095441 BXGNCTZCBCBIGS-UHFFFAOYSA-N 347.256 4.730 0 40 EJAB CC(C)[C@@H](NCc1nnc(-c2ccccc2Cl)o1)c1ccccc1 40466365 SHWWQBLVGRQFTH-GOSISDBHSA-N 341.842 4.877 0 40 EJAB Cc1ccc(F)cc1NC(=O)Nc1ccc(OC(F)(F)F)cc1 96171036 HXBOCDCKJMESNW-UHFFFAOYSA-N 328.265 4.677 0 40 EJAB CCCC[C@H](CC)CNC(=O)C1CCN(Cc2ccccc2C)CC1 224526525 MENCWJAVOZUFLZ-IBGZPJMESA-N 344.543 4.540 0 40 EJAB CC(C)Oc1cccc(NC(=S)N[C@H]2CCCc3ccccc32)c1 225461860 XQOYNNICJYJKHM-IBGZPJMESA-N 340.492 4.838 0 40 EJAB CC[C@H](C)c1ccc([C@H](NC(=O)c2cnc[nH]2)c2cccs2)cc1 511104850 IUBKTVCNHKSNDV-UGSOOPFHSA-N 339.464 4.504 0 40 EJAB CC(C)(C)Oc1ccc(C(=O)N2CCC[C@@H](C(C)(C)C)CC2)nc1 622376966 YXBJRAFJIZEPDL-OAHLLOKOSA-N 332.488 4.547 0 40 EJAB O=C(NCC(c1ccco1)c1ccco1)c1cc2ccccc2s1 675007634 CECCCGBLQVAXNL-UHFFFAOYSA-N 337.400 4.649 0 40 EJAB CCSc1nc2ccccc2n1Cc1cccc(Br)c1 33272 CSGXQFNBRVHXCP-UHFFFAOYSA-N 347.281 4.959 0 40 EJAB Cc1cc(C)c(NC(=O)CSc2cccc3cccnc23)c(C)c1 267716 WHYPUNIUUCUJQN-UHFFFAOYSA-N 336.460 4.891 0 40 EJAB O=C(CSCc1nc2ccccc2[nH]1)Nc1cccc2ccccc12 4906004 BRDVNNCLDGFUCH-UHFFFAOYSA-N 347.443 4.588 0 40 EJAB O=C(COc1ccccc1Cl)Nc1cccc(Cl)c1Cl 5584213 MOBUBIXITFJLJJ-UHFFFAOYSA-N 330.598 4.664 0 40 EJAB CCCCCCn1c(CNC(=O)c2ccccc2)nc2ccccc21 6753137 USAIJBOVSKKCIA-UHFFFAOYSA-N 335.451 4.547 0 40 EJAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)SCc2ccc(Cl)cc2)c1C 7454688 YKCJWNKXEKJBQD-CYBMUJFWSA-N 349.883 4.992 0 40 EJAB Cc1ccsc1CN(Cc1ccco1)C(=O)Nc1ccccc1 8869933 BGKZRYHVYMLPTA-UHFFFAOYSA-N 326.421 4.884 0 40 EJAB Cc1nc2cc(F)ccc2cc1C(=O)Nc1nc(C(C)C)cs1 10640133 VSNFWALWKJJRAP-UHFFFAOYSA-N 329.400 4.515 0 40 EJAB COc1ccc(CC(=O)Nc2ccccc2Nc2ccccc2)cc1 12533133 LYZUHVQUXCMJBI-UHFFFAOYSA-N 332.403 4.620 0 40 EJAB O=C(NC1CCCCCC1)c1cc(-c2cccnc2)nc2ccccc12 17297973 RCZDUJNHVDAXFD-UHFFFAOYSA-N 345.446 4.749 0 40 EJAB Cc1csc(NC(=O)c2sc(-c3cccc(Cl)c3)nc2C)n1 17338466 GJSXBYBTODBUGM-UHFFFAOYSA-N 349.868 4.789 0 40 EJAB CCOCCOc1ccc(CNc2ccccc2OCC(C)C)cc1 19738301 YHOXGOAAHJLVSQ-UHFFFAOYSA-N 343.467 4.749 0 40 EJAB CCc1ccc(C(=O)Nc2ccc(N3CCCCC3)c(F)c2)cc1 21577756 VPALIBBGJUQMLX-UHFFFAOYSA-N 326.415 4.631 0 40 EJAB CCCc1cc(SCc2csc(-c3ccccc3)n2)ncn1 44225111 JLHDFZDNKVBKKG-UHFFFAOYSA-N 327.478 4.845 0 40 EJAB Cc1ccccc1NC(=O)CN[C@@H](c1ccc(Cl)cc1)C(C)C 57574451 HRPNJGAIADJNEN-LJQANCHMSA-N 330.859 4.574 0 40 EJAB Cc1ccc(NC(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)c(C)c1 72238562 XUIARAKAANLNGW-UHFFFAOYSA-N 341.794 4.624 0 40 EJAB Cc1cc2oc(C(=O)Nc3c(C)cccc3C)cc(=O)c2cc1Cl 72238590 DBJILNINWKZSON-UHFFFAOYSA-N 341.794 4.624 0 40 EJAB CCc1cccc(CC)c1NC(=O)[C@@H](CC)Oc1ccccc1F 78700574 SRGFJIHNYKDONJ-QGZVFWFLSA-N 329.415 4.747 0 40 EJAB C[C@H](C(=O)Nc1cccc2ccccc12)N1CC[C@H](c2ccccc2)C1 84070290 RPHWWOWWZLDZEY-XLIONFOSSA-N 344.458 4.656 0 40 EJAB COC[C@@](C)(NCc1csc(-c2ccsc2)n1)c1ccccc1 95985806 AVWBGKKSLINIIQ-GOSISDBHSA-N 344.505 4.523 0 40 EJAB CCOC(=O)/C(=C\c1cccc(OC)c1)c1nc(C(C)C)c(C)s1 98053105 CTUSGVUCFGPUAE-WJDWOHSUSA-N 345.464 4.687 0 40 EJAB CCOc1cccc(NC(=O)[C@H](CC)Oc2ccc(Cl)c(C)c2)c1 113970267 BLHNGBVTCXHQBN-SFHVURJKSA-N 347.842 4.843 0 40 EJAB Fc1ccccc1CSc1nn2cc(-c3cccs3)nc2s1 199408671 MFUBBBUTZDLAGI-UHFFFAOYSA-N 347.465 4.951 0 40 EJAB CCCC[C@@H](CC)CNC(=O)c1ccc(CN2CCCCC2)cc1 224095658 BEGWERSHDIFBFC-GOSISDBHSA-N 330.516 4.619 0 40 EJAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc3c4c(cccc24)CC3)cc1C 224605268 JYJXFTZFBXVBRY-MRXNPFEDSA-N 345.442 4.961 0 40 EJAB CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC)c(Cl)c1 225737149 AJNCMMKILSWQAZ-GOSISDBHSA-N 341.879 4.909 0 40 EJAB O=C(NCc1ccnc(-c2ccsc2)c1)c1ccc(F)cc1Cl 225754896 OAPYLOKLOWFVET-UHFFFAOYSA-N 346.814 4.533 0 40 EJAB CCCSc1nnc(Cc2ccccc2)n1-c1ccc(C)c(C)c1 409098136 PPKWLCAGRBDOFK-UHFFFAOYSA-N 337.492 4.977 0 40 EJAB CCOc1ccc(C(=O)Nc2cc(C)ccc2C)cc1Br 293831 XLHUFRJAIKRLBX-UHFFFAOYSA-N 348.240 4.717 0 40 EJAB CC(C)CNC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12 323659 ILFLOCZBNNZZGB-UHFFFAOYSA-N 338.838 4.941 0 40 EJAB Cc1nc2sc3c(c2c(=O)n1-c1ccc(Cl)cc1)CC[C@@H](C)C3 349434 XJXLVMVDTJRBEU-SNVBAGLBSA-N 344.867 4.534 0 40 EJAB O=C(NC(=S)c1cccc2ccccc12)Nc1ccccc1Cl 1096150 MPBJYHJNGBVVFR-UHFFFAOYSA-N 340.835 4.990 0 40 EJAB Cc1cccc(CSc2nnc(-c3cccc(Cl)c3)n2C)c1 2348354 LAPNZSNQAVMRTH-UHFFFAOYSA-N 329.856 4.736 0 40 EJAB O=C(NCCc1ccc(Cl)cc1Cl)c1cc2ccccc2o1 3407591 PJKAQMKQZZZACV-UHFFFAOYSA-N 334.202 4.712 0 40 EJAB CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OC=O)CC[C@]4(C)[C@H]3CC[C@]12C 4104909 WQOSPYRSDOSGLK-YZWRWILZSA-N 346.511 4.776 0 40 EJAB biogenic,in-vitro Cc1ccc(SCCC(=O)OCC(=O)c2ccc(C)c(C)c2)cc1 6078621 PCHKUJGINOKJFP-UHFFFAOYSA-N 342.460 4.520 0 40 EJAB CCc1ccc([C@H]2N=C(O)c3c(sc4c3CC[C@@H](C)C4)N2)cc1 6359232 YRBOYBLPQXOTJM-DIFFPNOSSA-N 326.465 4.864 0 40 EJAB C[C@@H](NC(=O)COc1ccccc1Cl)c1ccc2ccccc2c1 6654243 VSVHSRRVBIRCFW-CQSZACIVSA-N 339.822 4.749 0 40 EJAB COc1ccc2c(C)cc(SCC(=O)c3cccs3)nc2c1 6832052 DYOYMMDVEMNOFH-UHFFFAOYSA-N 329.446 4.588 0 40 EJAB Cn1c(SCc2ccccc2Oc2ccccc2)nnc1C1CC1 7235137 QRBXBXQYHBOAGK-UHFFFAOYSA-N 337.448 4.777 0 40 EJAB C[C@H](N[C@H](C)c1ccc(Cl)cc1)C(=O)c1c[nH]c2ccccc12 7538560 QUXMBCQIXLQECP-OLZOCXBDSA-N 326.827 4.743 0 40 EJAB O=C(NCC12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2 7804660 MUBFWDJDJFVIJS-UHFFFAOYSA-N 327.512 4.535 0 40 EJAB COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cccs2)cc1 7883916 WADFJMZDIWTMQV-SFHVURJKSA-N 336.416 4.528 0 40 EJAB O=C(/C=C/c1ccsc1)N1CCC[C@@H]1c1nc2ccccc2s1 8327818 VMTIQAWTGYTZLO-MVGZEHJDSA-N 340.473 4.735 0 40 EJAB CCCCC(=O)NCc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1 10120356 UNQXQGOQWZZWIF-UHFFFAOYSA-N 336.435 4.918 0 40 EJAB Clc1ccc(-c2nnc3sc(/C=C/c4ccccc4)nn23)cc1 12653858 GMVDMBXXYVZJNA-IZZDOVSWSA-N 338.823 4.677 0 40 EJAB Cc1ccccc1[C@@H](C)NC(=O)CSc1nc2ccccc2s1 12799003 PIZXNFHVXQESQI-CYBMUJFWSA-N 342.489 4.574 0 40 EJAB CCn1c(SCc2cccc(F)c2)nnc1-c1ccc(F)cc1 13325476 MZRWAWMXFCBDGA-UHFFFAOYSA-N 331.391 4.536 0 40 EJAB C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(F)c(Cl)c1 13709846 ZKBACRHJQRKEIC-VIFPVBQESA-N 328.170 4.539 0 40 EJAB O=C(Nc1cccc(Cl)c1)N1CCCC[C@@H]1CCN1CCCCC1 13720474 WQRCUOHVMUYBKG-GOSISDBHSA-N 349.906 4.602 0 40 EJAB Cc1ccc([C@H](C)NC(=O)COc2ccc(C(C)C)cc2)c(C)c1 22529623 WQRVBCZIVAZBRP-KRWDZBQOSA-N 325.452 4.683 0 40 EJAB Fc1ccc(-c2cc3c(SCc4ccccc4)nccn3n2)cc1 23126577 UJWAUYXNLNNYPA-UHFFFAOYSA-N 335.407 4.828 0 40 EJAB CCOc1ccc(C(=O)O)cc1COc1ccccc1C(C)(C)C 24549537 XBVILBDVCVPLBN-UHFFFAOYSA-N 328.408 4.660 0 40 EJAB CC[C@H](C(=O)Nc1nc2c(F)cc(F)cc2s1)c1ccccc1 24766800 HYWJGNOLKLHLEB-LBPRGKRZSA-N 332.375 4.707 0 40 EJAB Clc1ccc2nc3c(c(-c4ccccc4Cl)c2c1)CNCC3 25777363 URWOONFNVMERJF-UHFFFAOYSA-N 329.230 4.854 0 40 EJAB CCCCN(C(=O)c1cc2cc(OC)ccc2nc1C)c1ccccc1 25802308 JQUHNRKOXGDOHP-UHFFFAOYSA-N 348.446 4.999 0 40 EJAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCCc1ccc(C(C)C)cc1 30851055 RLLRRFQLBSVSTO-OAQYLSRUSA-N 339.479 4.635 0 40 EJAB O=C(CCc1ccccc1Cl)Nc1ccc(N2CCCC2)cc1 31303029 DERPGYMAZPGGEN-UHFFFAOYSA-N 328.843 4.512 0 40 EJAB CCCSC1=N/C(=C/c2ccccc2)C(=O)N1c1ccc(F)cc1 33606880 MKBVAAXBWUPFRN-GHRIWEEISA-N 340.423 4.713 0 40 EJAB C[C@@H](c1ccccc1)n1c([C@@H](O)c2ccccc2)nc2ccccc21 40224193 SKVSGFPMANFINY-KKSFZXQISA-N 328.415 4.727 0 40 EJAB CCc1ccc(Cl)c(CC)c1NC(=O)c1cccc(C(=O)OC)c1 42218482 CJBHOAQIRFZQLA-UHFFFAOYSA-N 345.826 4.504 0 40 EJAB Cc1oc(-c2ccccc2)nc1C[S@](=O)Cc1ccc(Cl)cc1 69488713 NFEXFFSIBPQSMR-QHCPKHFHSA-N 345.851 4.752 0 40 EJAB Cc1c(-c2csc(N3CCSCC3)n2)sc2ccccc12 72078646 BDFBSQAPQYIVKJ-UHFFFAOYSA-N 332.519 4.886 0 40 EJAB CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1CC 72215029 UKMCBZDDGUOZNB-KRWDZBQOSA-N 347.503 4.780 0 40 EJAB CC(=O)[C@H]1[C@@H](C)C[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 82193567 XXSFRYVGIQYVIQ-FGUDWRIRSA-N 330.512 4.761 0 40 EJAB Cc1ccc(OCCNC(=O)Nc2ccc(Cl)cc2)cc1Cl 224182054 IYGNWBFDNJFONC-UHFFFAOYSA-N 339.222 4.502 0 40 EJAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H]1CCCc2ccccc21 224634762 JWGIEWOEZNFLSD-AOMKIAJQSA-N 349.474 4.527 0 40 EJAB CCOC(=O)c1ccc(C)c(NC(=S)Nc2ccc(Cl)cc2)c1 225463810 MOEQPXDSUBXHIZ-UHFFFAOYSA-N 348.855 4.634 0 40 EJAB CCCCc1ccc(NC(=O)CCc2c(OC)cccc2OC)cc1 225995834 LDHOJBPDCJIGCF-UHFFFAOYSA-N 341.451 4.618 0 40 EJAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc(F)cc1F 408576364 XOCISEXVRRPPFC-DHZHZOJOSA-N 325.314 4.877 0 40 EJAB CCC[C@H](C)C(=O)c1ccc(Br)cc1OC(F)(F)F 575362584 BGRAKGVQUHRAAS-QMMMGPOBSA-N 339.151 4.967 0 40 EJAB Fc1ccc(OCCN2CCCC2)c(Oc2cccc(Cl)c2)c1 585265721 ZKKOTOVHQLQBTJ-UHFFFAOYSA-N 335.806 4.746 0 40 EJAB Cc1cccc(-n2c(-c3ccccc3)nc3nc4ccccc4nc32)c1 508204 WDAOILDNGRDGRF-UHFFFAOYSA-N 336.398 4.944 0 40 EJAB CCN(CC)Cc1ccc(NC(=O)c2cccc(OC(C)C)c2)cc1 568292 GOIZAFCBPMRZJV-UHFFFAOYSA-N 340.467 4.568 0 40 EJAB CCN(CC)c1ccc(NC(=O)c2ccc(OC(C)C)cc2)c(C)c1 568394 SXFOYRZKCUJIGK-UHFFFAOYSA-N 340.467 4.881 0 40 EJAB Cc1ccc(-c2cc(N)n(-c3nc(-c4ccccc4)cs3)n2)cc1 1415873 XSEHUOMUPIFUES-UHFFFAOYSA-N 332.432 4.553 0 40 EJAB CC(C)[C@H]1C[C@@](CCNCc2ccco2)(c2ccccc2)CCO1 1774071 UMCUDUUEJCLEGK-RTWAWAEBSA-N 327.468 4.532 0 40 EJAB biogenic CCCCOC(=O)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1 1778850 NPXUAQBZWGJVNB-UHFFFAOYSA-N 338.359 4.776 0 40 EJAB biogenic CC(=O)c1ccc(NC(=O)/C=C/c2cccc(C(F)(F)F)c2)cc1 2709916 HXXIMIVPNDLHFV-BJMVGYQFSA-N 333.309 4.560 0 40 EJAB CCCCCC[C@]1(CC)NC(=S)N(c2ccc(Cl)cc2)N1 2776219 ICNVXUYBYAAWAP-MRXNPFEDSA-N 325.909 4.616 0 40 EJAB Cc1cc2ccccc2n1CCNC(=O)c1ccc(C(C)(C)C)cc1 4801031 BOCFAACKSIXVEB-UHFFFAOYSA-N 334.463 4.677 0 40 EJAB CCN(C(=O)c1cccc(OC)c1)c1nc2cc(Cl)ccc2s1 5937352 CNJMZEVMHGBFKD-UHFFFAOYSA-N 346.839 4.625 0 40 EJAB Cc1cccc(N(CC(=O)c2cccs2)C2=NCCCS2)c1C 8415125 SBEYEYWVYWMFBX-UHFFFAOYSA-N 344.505 4.547 0 40 EJAB O=C(c1ccc(OCCc2ccccc2)cc1)N1CCc2ccccc21 8564225 SVTXIBVZTTXHAM-UHFFFAOYSA-N 343.426 4.511 0 40 EJAB COc1cccc2cc(C(=O)Nc3ccc4sc(C)nc4c3)oc12 8960317 UXQPQXXPKTWOLX-UHFFFAOYSA-N 338.388 4.612 0 40 EJAB O=C(/C=C/c1ccccc1)N1CCc2sccc2[C@H]1c1ccccc1 9534271 FPRLPZDKCCCXAE-VDZCTEQFSA-N 345.467 4.936 0 40 EJAB O=C(Nc1noc2ccccc12)c1cc2c(s1)-c1ccccc1CC2 9667593 WJORGFUSYHQLBT-UHFFFAOYSA-N 346.411 4.907 0 40 EJAB COc1cccc([C@H]2CC(=O)Nc3ccsc32)c1OC1CCCC1 12371658 RQRAVBLXJVZUHU-CQSZACIVSA-N 343.448 4.552 0 40 EJAB O=C(Nc1c(-c2ccccc2)nc2sccn12)c1ccc(Cl)o1 12525062 YGBUVSHXQJDDRS-UHFFFAOYSA-N 343.795 4.562 0 40 EJAB CSc1ncccc1C(=O)N[C@H](c1ccccc1)c1ccc(C)cc1 12784070 HMPVCHWEAQLNQN-LJQANCHMSA-N 348.471 4.631 0 40 EJAB CC(C)n1ncc2cc(NC(=O)c3cc(Cl)ccc3Cl)cnc21 13001850 AICBCEBROCZBPN-UHFFFAOYSA-N 349.221 4.571 0 40 EJAB Cc1noc(C)c1Cc1ccc(C(=O)Nc2ccc(F)cc2Cl)o1 13641106 DWFYNGXYOXEXBS-UHFFFAOYSA-N 348.761 4.520 0 40 EJAB CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@@H](C)CCc1ccccc1 20491660 GWPVFUNLYDXSLT-PXNSSMCTSA-N 339.479 4.598 0 40 EJAB O=C(Nc1ccccc1)Nc1cccc(NC(=O)c2ccsc2)c1 32891745 JVCFWPLIMMRPOA-UHFFFAOYSA-N 337.404 4.644 0 40 EJAB Cc1ccc(-c2cc(C(=O)Nc3ccc(C)c(Cl)c3)n[nH]2)cc1 44837806 XBJGGANHLFAPFB-UHFFFAOYSA-N 325.799 4.599 0 40 EJAB CCOc1ccc(CCC(=O)Nc2ccc(CC)cc2)cc1OCC 44841634 PFRYGUFIQKKFAL-UHFFFAOYSA-N 341.451 4.618 0 40 EJAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccc(F)cc1)c1ccc(C)cc1 44905032 GQJAHKIVSFGORH-RBUKOAKNSA-N 329.415 4.559 0 40 EJAB CC[C@@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccccc1 44935457 PJCVLTZXEDSIEQ-OAQYLSRUSA-N 336.479 4.554 0 40 EJAB CN(c1ccc(NC(=O)OCC(F)(F)F)cc1F)C1CCCCC1 48300963 KQENFVYMAPUFQQ-UHFFFAOYSA-N 348.340 4.705 0 40 EJAB in-vitro O=C(N[C@@H]1CCOc2ccccc21)c1cc(F)ccc1-c1ccccc1 48304030 KKUJIMIQPKPWAH-HXUWFJFHSA-N 347.389 4.746 0 40 EJAB Cc1ccc(CN(C(=O)c2ccncc2)[C@H]2CCc3ccccc32)cc1 65000294 BDWRCBYFDHLAHN-QFIPXVFZSA-N 342.442 4.720 0 40 EJAB Cc1ccc(C)c([C@H](C)NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1 78458817 UIEQTIPTFBJCBK-HNNXBMFYSA-N 345.870 4.992 0 40 EJAB COc1ccc([C@@H](C)N[C@H](C)c2cccc(C)c2C)cc1NC(C)=O 95422539 IUMXWCJVOKGQAQ-HZPDHXFCSA-N 340.467 4.682 0 40 EJAB C[C@H](NC(=O)c1ccc(Oc2ccccc2Cl)o1)c1ccncc1 96183821 OHMGGFNKCZIPLB-LBPRGKRZSA-N 342.782 4.611 0 40 EJAB Cc1cc(C)c(NC(=O)[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)c(C)n1 97214003 YTPJMJIHIICWNB-HUUCEWRRSA-N 348.368 4.768 0 40 EJAB Cc1ccc(SCCC(=O)NCc2cccc(OC(C)C)c2)cc1 113932771 OBUFVHITPVTDLY-UHFFFAOYSA-N 343.492 4.581 0 40 EJAB O=C(c1ccccc1Cl)N1CCS[C@H](c2ccccc2)CC1 211141192 UUNSDZGGCKQFAA-KRWDZBQOSA-N 331.868 4.660 0 40 EJAB Cc1ccc(C)c([C@H](C)NC(=O)CCSCc2ccccc2)c1 218994156 SSPKJZRLLFHQOQ-KRWDZBQOSA-N 327.493 4.804 0 40 EJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(C)c(C)c1 223051260 HIEAHDPEYVYYNU-OAQYLSRUSA-N 337.463 4.978 0 40 EJAB COc1ccc(C(=O)NC2CCCCCCC2)cc1COCC(C)C 224455586 TUTZMDOKGFNDRC-UHFFFAOYSA-N 347.499 4.711 0 40 EJAB Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1cccc2c1CCCC2 224572971 IKJACWDEDKYRQK-CQSZACIVSA-N 343.854 4.933 0 40 EJAB CN(Cc1ccccc1)C(=O)c1ccc(-c2nc3ccccc3[nH]2)cc1 225257997 CQKYEWQHAVFQIR-UHFFFAOYSA-N 341.414 4.502 0 40 EJAB Cc1ccc(NC(=S)NCCCc2ccccc2Cl)cc1C 225539396 OBNFQSCLHBKCKC-UHFFFAOYSA-N 332.900 4.876 0 40 EJAB COc1ccccc1NC(=O)N[C@H](C)CC(C)(C)c1ccccc1 225769332 ZPUZAKQJPUBDNF-OAHLLOKOSA-N 326.440 4.573 0 40 EJAB CC(C)(C)OC(=O)n1c2ccc(Br)cc2c2ncccc21 725328102 YXWCOMJYBDZYOW-UHFFFAOYSA-N 347.212 4.735 0 40 EJAB C[C@H](Oc1ccccc1)C(=O)NCc1cc(-c2ccsc2)cs1 1775970039 YDNIOMMXEHDZEY-ZDUSSCGKSA-N 343.473 4.560 0 40 EJAB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccncc1 110844 IAXJMADAYCLYBO-UHFFFAOYSA-N 348.189 4.604 0 40 EJAB CC(=O)C(C(C)=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 378214 KKDLKXBROGXKED-UHFFFAOYSA-N 335.230 4.920 0 40 EJAB O=Cc1cn(-c2nc3ccc(Cl)cc3s2)nc1-c1ccccc1 384500 MITQMLCEPJLPEZ-UHFFFAOYSA-N 339.807 4.615 0 40 EJAB Cc1cc2cccc(C)c2nc1SCC(=O)c1ccccc1F 412440 GJIRONHUPPGCEL-UHFFFAOYSA-N 325.408 4.966 0 40 EJAB CCOc1cccc(C(=O)Nc2nc3c(C)cc(C)cc3s2)c1 481992 COMPRZHBFVVHSG-UHFFFAOYSA-N 326.421 4.564 0 40 EJAB Cc1ccc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)nc1 2773475 XLUOIOJIENJAHF-IBGZPJMESA-N 334.444 4.862 0 40 EJAB COc1cccc(Nc2nc(-c3ccc(OC)cc3OC)cs2)c1 3350626 CXYGZZGMEBCHQD-UHFFFAOYSA-N 342.420 4.580 0 40 EJAB CC(=O)c1ccc(C(=O)Nc2nc3c(C)cc(Cl)cc3s2)cc1 4330992 UXUCWANXYCSELY-UHFFFAOYSA-N 344.823 4.713 0 40 EJAB O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)c1ccc(F)cc1 5392313 NJNVAYBNZKOHCN-UHFFFAOYSA-N 346.814 4.779 0 40 EJAB CCc1cc(=O)oc2cc(OCc3cccc(C)c3)c(Cl)cc12 5548216 NALDTHRBESTEAZ-UHFFFAOYSA-N 328.795 4.896 0 40 EJAB CC[C@@H](C)[C@@H](N)c1nnc(SCc2ccc(Cl)cc2Cl)o1 6224215 CMUDICHQEPXIDK-PRHODGIISA-N 346.283 4.715 0 40 EJAB Cc1cc(F)ccc1NC(=S)Nc1cccc(Br)c1 8105610 RCIQLNAHLPTPLU-UHFFFAOYSA-N 339.233 4.706 0 40 EJAB COc1cccc(C2=NN(c3nc(C)cs3)[C@H](c3ccccc3)C2)c1 9486510 SHMIRVJWSGJZPE-IBGZPJMESA-N 349.459 4.816 0 40 EJAB CCc1cccc(CC)c1NC(=O)c1ccc(CN2CCCC2)cc1 10333640 FXOITOWUPOEJKB-UHFFFAOYSA-N 336.479 4.660 0 40 EJAB CCOc1ccc(CNC(=O)CCSc2ccc(Cl)cc2)cc1 10448487 APWRDQAWWWPAQA-UHFFFAOYSA-N 349.883 4.537 0 40 EJAB CCC[C@@H](C(=O)Nc1ccc(NC(=O)C2CC2)cc1)c1ccccc1 12216921 BLMVTSOZSMSPFP-LJQANCHMSA-N 336.435 4.558 0 40 EJAB CN(Cc1c(F)cccc1Cl)c1ncnc2c1oc1ccccc12 12595399 SNHUGPBIHWVGOL-UHFFFAOYSA-N 341.773 4.805 0 40 EJAB Cc1ccccc1CN(C)C(=O)CCCOc1ccc(Cl)cc1C 13096228 YGUROKWBPJVZTB-UHFFFAOYSA-N 345.870 4.774 0 40 EJAB Cc1cccn2c(NC(=O)c3ccccc3)c(-c3cccs3)nc12 16742307 PEZPQIKFOGLQTR-UHFFFAOYSA-N 333.416 4.624 0 40 EJAB COc1ccc(C)cc1NC(=O)[C@@H](C)Oc1ccccc1C(C)C 20494159 VOUMDDBYDXOJPR-OAHLLOKOSA-N 327.424 4.533 0 40 EJAB C[C@@H](NCc1ccc(-c2cccc(Cl)c2)o1)[C@H](O)c1ccccc1 22076593 VZRPVBFYVPJKMO-VLIAUNLRSA-N 341.838 4.812 0 40 EJAB Cc1ccc(OCc2coc(-c3cccs3)n2)c2c1[C@@H](C)CC2=O 22134768 RPLYYBIFJQCKFG-LBPRGKRZSA-N 339.416 4.980 0 40 EJAB COCc1cccc(NC(=O)c2ccccc2CCc2ccccc2)c1 25824393 JVXBXGDWYFWOSK-UHFFFAOYSA-N 345.442 4.871 0 40 EJAB O=C(CN(C1=NCCCS1)c1cccc(Cl)c1)c1ccccc1 28527467 MXMUQPLWYOYAAS-UHFFFAOYSA-N 344.867 4.522 0 40 EJAB C[C@@H](NC(=O)Nc1ccccc1OC(F)(F)F)c1cccs1 40023915 CLHDULUVZRGSBQ-SECBINFHSA-N 330.331 4.529 0 40 EJAB S=c1oc(COc2ccccc2)nn1CNc1ccccc1Cl 59484600 OQANTXKUDZIEJK-UHFFFAOYSA-N 347.827 4.508 0 40 EJAB CC(C)C[C@H](NC(=O)c1ccc(Br)cc1)c1ccccc1 70136737 HJXAVPKNBWYTPU-KRWDZBQOSA-N 346.268 4.966 0 40 EJAB CCOc1cc(N)ccc1NC(=O)c1sc2ccccc2c1Cl 73638477 UKOPPXUANPRSPI-UHFFFAOYSA-N 346.839 4.788 0 40 EJAB COc1cccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3onc(C)c32)c1 102730591 BFHUBFUDBCYSNG-KRWDZBQOSA-N 338.407 4.842 0 40 EJAB CC[C@H](NC(=O)Cc1cc(C)ccc1C)c1ccc2c(c1)CCCC2 223094413 HZFLZQIIMOWCNN-QFIPXVFZSA-N 335.491 4.992 0 40 EJAB CC[C@H](Oc1ccc(F)cc1)C(=O)N[C@H](C)c1cc(C)c(C)cc1C 223465832 AJBRWFQTWVTYGM-UZLBHIALSA-N 343.442 4.786 0 40 EJAB CCc1ccc([C@@H](C)NC(=O)c2ccc(N3CCCCC3)cc2)cc1 225460306 BYIWPTDESVVUEX-QGZVFWFLSA-N 336.479 4.730 0 40 EJAB O=C1S/C(=C/c2cccc(Cl)c2)C(=O)N1CCc1ccccc1 409214183 WEJOYARXGWJNJR-FOWTUZBSSA-N 343.835 4.619 0 40 EJAB CC(C)(C)OC(=O)Nc1nc2c(Br)ccc(F)c2s1 1903938620 CWWXLJNOOFNTEN-UHFFFAOYSA-N 347.209 4.545 0 40 EJAB CCOC(=O)c1oc2ccccc2c1NC(=O)c1cc2ccccc2o1 253061 UXKKMQBZFPBJED-UHFFFAOYSA-N 349.342 4.608 0 40 EJAB Cc1ccc([C@H](CCNC(=O)c2cccs2)c2ccco2)cc1 535630 IHOCNSJAORCSPQ-INIZCTEOSA-N 325.433 4.602 0 40 EJAB CN(Cc1ccc(F)cc1)C(=O)c1ccccc1Oc1ccccc1 3534364 CCIONGQMKJGCOX-UHFFFAOYSA-N 335.378 4.890 0 40 EJAB COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1cccc2ccccc12 3736348 UWFHJKFBKWBVPK-NRFANRHFSA-N 328.415 4.565 0 40 EJAB Cc1ccc(NC(=S)NC(=O)c2ccc(C(C)C)cc2)c(C)c1 4682366 AIOGKXASSAYQHO-UHFFFAOYSA-N 326.465 4.554 0 40 EJAB C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](N)CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C 6030256 MJGLREGOLPEPID-GHKGYAFRSA-N 346.603 4.923 0 40 EJAB biogenic,in-vitro O=C(CSc1ccccn1)c1ccc([C@H]2CC2(Cl)Cl)cc1 9146282 MAPYXMJKLBFWNC-CYBMUJFWSA-N 338.259 4.718 0 40 EJAB CCc1cccc(C)c1NC(=O)NCCSCc1ccccc1F 9578824 RPWDQUPTSHNNPM-UHFFFAOYSA-N 346.471 4.751 0 40 EJAB CC(C)Oc1cccc(NC(=O)[C@H](C)Oc2ccccc2Cl)c1 10715491 YBKQVLKBAGCRHQ-ZDUSSCGKSA-N 333.815 4.533 0 40 EJAB O=C1C[C@H](c2ccccc2OCc2ccccc2)c2sccc2N1 12376565 BJQCZKDSMSMTPL-MRXNPFEDSA-N 335.428 4.801 0 40 EJAB Cc1ccc2c(c1)S[C@H](C(=O)Nc1cc(Cl)ccc1Cl)C2 12551900 VDERLXDZEAMPNZ-HNNXBMFYSA-N 338.259 4.957 0 40 EJAB CC(C)(C)C1CCC(C(=O)Nc2nc(-c3ccccn3)cs2)CC1 12632213 JMYOPPNKRVSCLW-UHFFFAOYSA-N 343.496 4.996 0 40 EJAB CCc1cccc(NC(=O)CCc2c(C)c3ccc(C)cc3oc2=O)c1 12780143 DGSUPEYTWGBVFF-UHFFFAOYSA-N 349.430 4.544 0 40 EJAB Fc1ccc(NC(=S)NCc2ccccc2Cl)cc1Cl 13817170 QCODPKSSLIEOLS-UHFFFAOYSA-N 329.227 4.619 0 40 EJAB Cc1ccc(/C=C/C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 15941077 PXQSUQYYIRQWBN-DHZHZOJOSA-N 328.415 4.633 0 40 EJAB Cc1cccc(NC(=O)c2sc3nc(-c4ccccc4)cn3c2C)c1 16740407 STIOIJBQHYRXQR-UHFFFAOYSA-N 347.443 4.932 0 40 EJAB CN(Cc1ccccc1N1CCCC1)C(=O)Nc1cccc(Cl)c1 17743699 YSFOQWDUDRDPMY-UHFFFAOYSA-N 343.858 4.604 0 40 EJAB Cc1cccc(NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)c1C 19932551 KSCNRTGORJULMH-INIZCTEOSA-N 336.479 4.788 0 40 EJAB C[C@@H](Sc1ncnc2ccsc12)c1nc(-c2cccs2)no1 26118039 SOEJURBIZQPHOQ-MRVPVSSYSA-N 346.462 4.656 0 40 EJAB CC(C)c1ccccc1O[C@@H](C)C(=O)N[C@@H](C)CCc1ccccc1 30848384 CVCVXENVGHVSIY-ROUUACIJSA-N 339.479 4.715 0 40 EJAB Cc1csc(N(C(=O)C2=Cc3ccccc3OC2)c2ccccc2)n1 36784262 YBLRJZWMIHIIQQ-UHFFFAOYSA-N 348.427 4.592 0 40 EJAB O=C(c1cccc(Br)c1)c1c[nH]c2cc(Cl)ccc12 37367873 VKTCDDVBOKFIJO-UHFFFAOYSA-N 334.600 4.815 0 40 EJAB O=C(O)Cc1sc2nc3sccc3n2c1-c1ccc(Cl)cc1 39093954 RZZNLAIIWBXFTF-UHFFFAOYSA-N 348.836 4.558 0 40 EJAB Cc1cccnc1NC(=O)CSCc1ccc(Cl)cc1Cl 56407982 LSXQOTLMYSPYTI-UHFFFAOYSA-N 341.263 4.569 0 40 EJAB Cc1[nH]c2c(C(=O)Nc3cccc(-c4cnco4)c3)cccc2c1C 58356622 OOHTVZRXIWWQSN-UHFFFAOYSA-N 331.375 4.692 0 40 EJAB C[C@H]1CCCCN1C(=O)c1ccc(-c2nc3ccccc3s2)cc1 59842879 NNRBUQMPIVLOHE-AWEZNQCLSA-N 336.460 4.978 0 40 EJAB O=C(CSCc1c(Cl)cccc1Cl)NCC1=CCCCC1 223442629 SKFJOKWSLIAHMC-UHFFFAOYSA-N 344.307 4.843 0 40 EJAB CCCCOCc1cc(C(=O)Nc2ccc(C)c(C)c2)ccc1OC 224435667 UHQGSUKXXMBMRP-UHFFFAOYSA-N 341.451 4.881 0 40 EJAB CCc1ccc(C(=O)Nc2ccc(-c3ccc(C(=O)O)o3)c(C)c2)cc1 226356336 BXYJKUZHDSORFO-UHFFFAOYSA-N 349.386 4.768 0 40 EJAB O=C(CCc1cccc(Cl)c1)NCCCc1cc2ccccc2o1 390828626 BMHYAGKOEGEEJN-UHFFFAOYSA-N 341.838 4.768 0 40 EJAB Cc1ccc2cc3c(N)c(C(=O)Nc4ccccc4C)sc3nc2c1 422392 ZOSMROKDWJGHOB-UHFFFAOYSA-N 347.443 4.901 0 40 EJAB Cc1nc2cc(NC(=O)C3C4CC5CC(C4)CC3C5)ccc2s1 992533 ZZNGVBUTFGFRKT-UHFFFAOYSA-N 326.465 4.616 0 40 EJAB O=C(O)[C@H](Oc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 1628218 CCBZOSVVOXNAHJ-CYBMUJFWSA-N 331.582 4.852 0 40 EJAB O=C(O)CCCCC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 2242954 MLTQBOLQPLHJJE-UHFFFAOYSA-N 342.235 4.552 0 40 EJAB CCCCCc1ccc(-c2ccc(C(=O)N3CCOCC3)cc2)cc1 3012109 POUYJCQYOQBUJD-UHFFFAOYSA-N 337.463 4.559 0 40 EJAB COc1cc(/C=C2/C(=O)Nc3ccccc32)ccc1OCCC(C)C 3239436 TTYYIEPVANTWNX-SFQUDFHCSA-N 337.419 4.613 0 40 EJAB C[C@@H]1C[C@H](OC(=O)Nc2ccccc2)[C@@H]2C=C(Cl)C=C[C@@H]2S1 4110322 AVUMPMDHVMPXFL-MEYUZBJRSA-N 335.856 4.806 0 40 EJAB CSc1cccc2sc(NC(=O)c3c(F)cccc3F)nc12 5299262 GIHOGAZYRQNDOJ-UHFFFAOYSA-N 336.388 4.549 0 40 EJAB CC[C@H](C)[C@H](N)c1nnc(SCc2ccc(Cl)cc2Cl)o1 6224676 CMUDICHQEPXIDK-UFBFGSQYSA-N 346.283 4.715 0 40 EJAB CCCCN1C(=O)c2ccccc2[C@@H]1c1c(C)n(C)c2ccccc12 9355465 PKWQHYZIJZWOED-OAQYLSRUSA-N 332.447 4.832 0 40 EJAB COc1ccccc1CNC(=O)c1ccc(-c2ccc(Cl)cc2)o1 9503129 BPVVQIRTSCKYDL-UHFFFAOYSA-N 341.794 4.539 0 40 EJAB O[C@@H](CNc1ncnc2scc(-c3ccccc3)c12)c1ccccc1 9882484 JQQZQWPVASXKRS-KRWDZBQOSA-N 347.443 4.504 0 40 EJAB Cc1nc2cc(C(=O)N(C)c3ccccc3)ccc2n1-c1ccccc1 12601928 HSGARNRLSSMTLC-UHFFFAOYSA-N 341.414 4.611 0 40 EJAB CN(Cc1ccccc1OC(F)(F)F)C(=O)c1cc2ccccc2o1 12930964 UHWLXJRVBJUZLI-UHFFFAOYSA-N 349.308 4.604 0 40 EJAB C[C@@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)c1ccccc1 12971631 VESJTYQGUXVXNT-CQSZACIVSA-N 349.459 4.508 0 40 EJAB CCCc1n[nH]c(SCc2cc3ccc(C)c(C)c3nc2Cl)n1 14854617 NSASUMTWPGWDGE-UHFFFAOYSA-N 346.887 4.868 0 40 EJAB Clc1ccc(/C=C/c2nn3c(-c4ccccc4)nnc3s2)cc1 15080784 INTIHNGPBFHXOY-DHZHZOJOSA-N 338.823 4.677 0 40 EJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccccc1OC 30869092 XQLDZOUEMZUIKU-QGZVFWFLSA-N 349.883 4.536 0 40 EJAB CN(Cc1cc(-c2ccco2)on1)Cc1ccc(Cl)cc1Cl 32836146 XHQRQMSFOMFVQM-UHFFFAOYSA-N 337.206 4.873 0 40 EJAB C[C@@H](CCc1ccccc1)NC(=O)CCSc1ccc(Cl)cc1 33649760 RVQRIGRZIGEHGE-HNNXBMFYSA-N 347.911 4.960 0 40 EJAB Cc1nc(NC(=O)C(C)C)sc1Cc1cc(Cl)ccc1Cl 36639358 WSEGSKIRBRZVQS-UHFFFAOYSA-N 343.279 4.944 0 40 EJAB COC(=O)c1cc(Nc2ccc(C)cc2)c2cc(Cl)ccc2n1 38486590 MBFJMRMKGCUHQQ-UHFFFAOYSA-N 326.783 4.727 0 40 EJAB CCN(C(=O)c1cc(C)nc2onc(C)c12)c1ccc2ccccc2c1 50380556 NCLBSDUACWCNFS-UHFFFAOYSA-N 345.402 4.660 0 40 EJAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2c(F)cccc2F)c1 52413778 QDIDDYCZFWMJPM-CYBMUJFWSA-N 333.378 4.803 0 40 EJAB CCc1ccc(O[C@@H](CC)C(=O)N[C@H](C)c2cc(C)ccc2C)cc1 59351540 PNYFQDZILXGCMZ-UTKZUKDTSA-N 339.479 4.901 0 40 EJAB S=C(SCc1csc(Nc2ccccc2)n1)N1CCCC1 65519553 GONKXPQOJCUDKQ-UHFFFAOYSA-N 335.523 4.501 0 40 EJAB CC[C@@H]1c2ccsc2CCN1C(=O)Nc1cc(C)nn1C(C)(C)C 65790396 VSNHRVVZCXACNF-CQSZACIVSA-N 346.500 4.549 0 40 EJAB CC[C@@H](C(=O)Nc1ccc(-c2cnc3n2CCC3)cc1)c1ccccc1 85471591 TZTFBQZHBJTCCN-LJQANCHMSA-N 345.446 4.629 0 40 EJAB CCO[C@@H](C)c1nc(C(=O)N(CC)c2cc(C)ccc2C)cs1 96416408 JLTKIAJZWNAHSV-AWEZNQCLSA-N 332.469 4.524 0 40 EJAB C[C@@H](NC(=O)c1ccc(OC2CCCC2)cc1)[C@@H]1C[C@@H]2CC[C@@H]1C2 101987505 GDIISEFXYHACFU-YVTWGWGSSA-N 327.468 4.563 0 40 EJAB O=C1S/C(=C\c2c(F)cccc2Cl)C(=O)N1Cc1ccccc1 106681186 BNYRCQVJQIBGBK-DHDCSXOGSA-N 347.798 4.716 0 40 EJAB Cc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)cc1 113969032 DJVUAKVKLSMEBD-LSDHHAIUSA-N 331.843 4.602 0 40 EJAB CCSc1ccccc1NC(=O)[C@H](C)Oc1ccc(C)c(C)c1 219515939 DFZUHKCQEQESBZ-HNNXBMFYSA-N 329.465 4.821 0 40 EJAB Cc1cc(C)c([C@H](C)NC(=O)c2ccccc2OC(C)C)cc1C 223475273 TXKHKJGMAJWPEI-KRWDZBQOSA-N 325.452 4.890 0 40 EJAB Cc1cc([C@@H](C)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)no1 519237750 UYKGBXJWKSBBJU-OAHLLOKOSA-N 332.407 4.779 0 40 EJAB CCCc1nc(-c2nc(O)c3c(-c4ccccc4)csc3n2)co1 583158714 SDMUAFQJOXHLMR-UHFFFAOYSA-N 337.404 4.671 0 40 EJAB CSc1nsc(SC)c1NC(=O)Nc1ccccc1C 180352 BVSOWQNGWVWCNV-UHFFFAOYSA-N 325.484 4.539 0 40 EJAB CCc1ccc(NC(=O)c2noc3c2C[C@H](C(C)(C)C)CC3)cc1 426610 IQTZAUSYRSBSHU-CQSZACIVSA-N 326.440 4.640 0 40 EJAB O=C(c1ccccc1CN1CCCC1)c1cccc(Cl)c1Cl 2515580 BNSRCDYGKFIWRV-UHFFFAOYSA-N 334.246 4.820 0 40 EJAB C[C@@H]1CCc2cc(F)ccc2N1C(=O)c1ccc(Br)cc1 5528172 GJMWMVPSZHAOPJ-LLVKDONJSA-N 348.215 4.570 0 40 EJAB CSc1ccc(/C=C2\N=C(c3ccc(C)c(Cl)c3)OC2=O)cc1 6866165 WZNZSPGZSUDXAI-SXGWCWSVSA-N 343.835 4.715 0 40 EJAB O=C(c1ccc(F)cc1)N1CCc2sccc2[C@@H]1c1cccs1 7946936 ZPOSJTCMYFFCFI-QGZVFWFLSA-N 343.448 4.737 0 40 EJAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCCc1ccccc1 13648515 YDNLDKDXYYQEST-CQSZACIVSA-N 333.884 4.570 0 40 EJAB CN(Cc1nc2ccccc2s1)C(=O)/C=C/c1ccc(Cl)cc1 15091513 BATHSAXLVQNRNF-DHZHZOJOSA-N 342.851 4.622 0 40 EJAB Cc1cccnc1NC(=O)CSC(c1ccccc1)c1ccccc1 18231244 VTNRLUWYGAGNFP-UHFFFAOYSA-N 348.471 4.851 0 40 EJAB COc1ccccc1CN[C@@H](Cc1ccsc1)c1nc(C)cs1 19240251 CONNAYNUILHUPI-INIZCTEOSA-N 344.505 4.595 0 40 EJAB CCOc1ccc([C@H](C)NC(=O)[C@H](C)SCc2ccccc2)cc1 20041168 ZBJJTEQFXNORSQ-HOTGVXAUSA-N 343.492 4.584 0 40 EJAB Cc1nc2cc(N[C@H](C)C(=O)Nc3ccc4ccccc4c3)ccc2o1 21794881 CEJAJHGROCFOEA-CYBMUJFWSA-N 345.402 4.729 0 40 EJAB Nc1ccc(Oc2ccc(Br)cc2)cc1C(F)(F)F 21797720 HZGDDXXAGKIULA-UHFFFAOYSA-N 332.119 4.842 0 40 EJAB Cc1ccc(C(=O)N2CCC[C@H]2c2cccs2)cc1-n1cccc1 22699948 CDTIEQQNJUMAGT-KRWDZBQOSA-N 336.460 4.825 0 40 EJAB Cc1cc(C(=O)NCCc2c(C)[nH]c3c(C)cc(Cl)cc23)c(C)o1 27926852 DQSMDRKENVGJQS-UHFFFAOYSA-N 344.842 4.620 0 40 EJAB O[C@H](c1ccccc1)[C@@H](c1ccccc1)N1CCc2ccccc2C1 31923896 ZRLBPOAWKPNOPZ-DHIUTWEWSA-N 329.443 4.520 0 40 EJAB O=C(CCSc1ccccc1)Nc1ccc(Cc2ccncc2)cc1 42522106 XRSAGSJAUZBRAK-UHFFFAOYSA-N 348.471 4.793 0 40 EJAB C[C@@H](Sc1nnc(C(C)(C)C)o1)C(=O)C12CC3CC(CC(C3)C1)C2 42570037 JLOKYDZZFOOTQO-UZNLNLPZSA-N 348.512 4.633 0 40 EJAB CCOC(=O)c1cc2c(OCc3ccc(Cl)cc3)cccc2[nH]1 67172908 SWYDODBQOUTECQ-UHFFFAOYSA-N 329.783 4.577 0 40 EJAB Cc1nnc([C@H](C)Nc2ccc(Oc3cccc4cccnc34)cc2)o1 71902628 RMOBJVLEEAYKTB-ZDUSSCGKSA-N 346.390 4.892 0 40 EJAB CCOC(=O)/C=C/c1ccc(OCc2c(F)cccc2Cl)cc1 85397227 TYAWJDJODCRQBB-DHZHZOJOSA-N 334.774 4.634 0 40 EJAB Cc1csc(N(C(=O)C[C@H]2C[C@H]3CC[C@H]2C3)c2ccccc2)n1 102446168 IZFZNCGPWZAIEJ-HRCADAONSA-N 326.465 4.943 0 40 EJAB O=C(O)COc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl 118075337 BGVOYKSVODXFEN-UHFFFAOYSA-N 347.581 4.903 0 40 EJAB CC[C@H](NC(=O)[C@@H](C)Oc1cc(C)ccc1C)c1ccc(C)cc1C 219074097 DLYXYSOGYBIFLK-QUCCMNQESA-N 339.479 4.955 0 40 EJAB CC[C@H](Oc1ccc(F)cc1)C(=O)N[C@@H](C)c1cc(C)c(C)cc1C 223465702 AJBRWFQTWVTYGM-JXFKEZNVSA-N 343.442 4.786 0 40 EJAB Cc1cc(C)c2c(N[C@H](C)Cc3cccc(C(F)(F)F)c3)n[nH]c2n1 257287530 PQJIEKRCJXPKNO-GFCCVEGCSA-N 348.372 4.637 0 40 EJAB O=C(c1csc(-c2ccccc2)n1)N1CC[C@H](c2cccs2)C1 828208277 DAPPVGIRONXSGE-AWEZNQCLSA-N 340.473 4.501 0 40 EJAB CCCSc1nc2sc(C)c(C)c2c(=O)n1-c1ccc(F)cc1 2143164 WDJQHLNQZNGJRA-UHFFFAOYSA-N 348.468 4.705 0 40 EJAB Fc1ccc2nc(-c3ccc(Br)cc3)nc(Cl)c2c1 2527438 OOTPXMSUGLFUQN-UHFFFAOYSA-N 337.579 4.852 0 40 EJAB CCOP(=O)(OCC)[C@@H](O)/C=C(\Cl)c1ccc(Cl)cc1 3120662 SMPMXJWZKBAUIM-KIWPFMIBSA-N 339.155 4.504 0 40 EJAB COc1cc(Cl)c(C)cc1NC(=O)CSc1ccc(F)cc1 3492386 SNLLUKXWLZJMCN-UHFFFAOYSA-N 339.819 4.527 0 40 EJAB Cc1cc2oc(=O)cc(COC(=O)c3cccs3)c2cc1C(C)C 3513173 XFXVIEXNQRNAEO-UHFFFAOYSA-N 342.416 4.643 0 40 EJAB Cc1ccc(-c2nnc(SCC(=O)c3c[nH]c4ccccc34)o2)cc1 4161668 WKJHETZPTFWLDJ-UHFFFAOYSA-N 349.415 4.501 0 40 EJAB CCOc1cccc2sc(NC(=O)c3ccccc3SC)nc12 4517379 SHPUYBKYGUXJSM-UHFFFAOYSA-N 344.461 4.669 0 40 EJAB C[C@H](Sc1ncnc2sccc12)C(=O)c1c[nH]c2ccccc12 6115364 NAZUGVWJFYIQRY-JTQLQIEISA-N 339.445 4.536 0 40 EJAB CN(Cc1ccc(C(=O)Nc2ccccc2)cc1)Cc1cccc(F)c1 7017379 AAAJJUYBXZPZRY-UHFFFAOYSA-N 348.421 4.710 0 40 EJAB Cc1cc(Cl)ccc1NC(=O)COc1cccc(C(F)(F)F)c1 7263879 UPAIEZXFBZSBTG-UHFFFAOYSA-N 343.732 4.685 0 40 EJAB C[C@@H]1c2ccsc2CCN1C(=O)c1csc(-c2ccsc2)n1 7830764 ZVTNRMQEGKRTTJ-SNVBAGLBSA-N 346.502 4.693 0 40 EJAB Cc1ccc(NC(=O)CNc2ccccc2-c2ccccc2)c(F)c1 11619040 VHBZNTLWLKZEBZ-UHFFFAOYSA-N 334.394 4.852 0 40 EJAB C[C@@H](NC(=O)Cc1ccc2ccccc2c1)c1ccc(F)cc1F 12779722 ZVCLNWHYYXEPCS-CYBMUJFWSA-N 325.358 4.538 0 40 EJAB Cc1cc(Cl)ccc1OCCCC(=O)Nc1cc(C(C)C)no1 12915814 LJOHMYTXSPSFHU-UHFFFAOYSA-N 336.819 4.558 0 40 EJAB Cc1ccc(/C=C2/SC(=O)N(Cc3cccc4ccccc34)C2=O)o1 14132011 WMTZAGOGFFNTII-WOJGMQOQSA-N 349.411 4.978 0 40 EJAB CCCCCOc1ccc(C(=O)Nc2ccc3nsnc3c2)cc1 15841223 OOSDONOBSPAYQE-UHFFFAOYSA-N 341.436 4.513 0 40 EJAB O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(-c2ccccc2F)o1 19159951 XBCOAKYDWYHTGZ-UHFFFAOYSA-N 339.410 4.784 0 40 EJAB COCCOc1ccc(NCc2cc(Cl)cc(Cl)c2)cc1 19738278 HKBCVGJQYGKLQV-UHFFFAOYSA-N 326.223 4.631 0 40 EJAB CCCCOc1ccccc1NCc1ccccc1OCCOCC 19738491 UWZSUHXYVRGWJQ-UHFFFAOYSA-N 343.467 4.893 0 40 EJAB CC[C@H](NC(=O)CCCOc1ccc(C)cc1)c1ccc(C)cc1 20106569 WELPRXBTZZHRCQ-FQEVSTJZSA-N 325.452 4.730 0 40 EJAB Cc1ccc(S[C@H](C)C(=O)N[C@@H]2CCCc3ccccc32)cc1 21838637 CFWAPUZUMAAZAY-DNVCBOLYSA-N 325.477 4.669 0 40 EJAB Cc1ccc(-n2nnnc2C2(Nc3ccccc3C)CCCCC2)cc1 22436818 VOOIJTXZPSJFEU-UHFFFAOYSA-N 347.466 4.551 0 40 EJAB CC[C@H](Oc1cccc(C)c1)C(=O)NCCc1ccc(C(C)C)cc1 30851060 RLLRRFQLBSVSTO-NRFANRHFSA-N 339.479 4.635 0 40 EJAB Cc1cccc(Cn2cnc3c(-c4cccc(C)c4)csc3c2=O)c1 44166755 LQKMKUDUMZLHRU-UHFFFAOYSA-N 346.455 4.790 0 40 EJAB C[C@]12CCCCN1CCc1c2n(Cc2ccccc2)c2ccccc12 51943493 ZBJOXDVCELHJTF-HSZRJFAPSA-N 330.475 4.947 0 40 EJAB COc1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)cc1F 58377784 LNZHUXUKRPRNRQ-UHFFFAOYSA-N 349.361 4.711 0 40 EJAB CC[C@@H](Oc1ccc(C)cc1)C(=O)N[C@H](CC)c1ccc(C)cc1 59351790 OXDRRZLGMHFVDE-WOJBJXKFSA-N 325.452 4.728 0 40 EJAB c1ccc(C(CCNc2ccc3nccnc3n2)c2ccccc2)cc1 63507874 WRHPISZXPFECSP-UHFFFAOYSA-N 340.430 4.659 0 40 EJAB CC[C@@](C)(NC(=O)Nc1cccc(COC(C)C)c1)c1nccs1 76018958 JGWHQKWBLYKIBP-GOSISDBHSA-N 347.484 4.515 0 40 EJAB S=C(Nc1ccccc1-c1cccs1)N[C@H]1C[C@H]2CC[C@H]1C2 107488689 VHFLLQGYTKBQEI-XEZPLFJOSA-N 328.506 4.890 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)cc1 113969033 DJVUAKVKLSMEBD-CABCVRRESA-N 331.843 4.602 0 40 EJAB O=C(CSCc1ccc(Cl)c(Cl)c1)N[C@H]1C[C@@H]2CC[C@@H]1C2 139919861 OVOJTZXPQVHTOX-HCKVZZMMSA-N 344.307 4.531 0 40 EJAB Cc1cc(Br)ccc1[C@H]1CCCN1C(=O)OC(C)(C)C 145071130 CIBAKNBZUAAYKN-CQSZACIVSA-N 340.261 4.830 0 40 EJAB CCNC(=O)c1ccc(OCC)c(COc2ccc3ccccc3c2)c1 224637795 PGDMNANAOWQASB-UHFFFAOYSA-N 349.430 4.567 0 40 EJAB CC(C)CNC(=S)Nc1ccc(CSc2ccccc2)cc1 225275618 IOBUXQAXZYEXAG-UHFFFAOYSA-N 330.522 4.921 0 40 EJAB CCOC1(C(=O)Nc2cc(C)c(O[C@@H](C)CC)c(C)c2)CCCC1 225707954 ZHMNRGYBFUQPMM-INIZCTEOSA-N 333.472 4.769 0 40 EJAB COc1ccc(NC(=O)c2ccc3c4c(cccc24)CC3)cc1Cl 266720 QGQPDVIRNGXKNA-UHFFFAOYSA-N 337.806 4.853 0 40 EJAB Cc1ccc(C(=O)NC(=S)Nc2ccccc2C(C)C)c(C)c1 570457 GYHGRQVCSPOCSU-UHFFFAOYSA-N 326.465 4.554 0 40 EJAB CCC(=O)N(CC[C@H](c1ccc(OC)cc1)C(C)C)Cc1ccco1 1772051 YOUTXFCSFJUFOY-FQEVSTJZSA-N 343.467 4.857 0 40 EJAB biogenic CC1(C)C[C@@H](CNCC[C@H](c2ccc(F)cc2)c2ccco2)CCO1 1821197 PVZQSKKTJZATRH-QFBILLFUSA-N 345.458 4.736 0 40 EJAB CC[C@H](Sc1ncnc2scc(-c3ccc(C)cc3)c12)C(=O)O 1935787 CCRGYDQNVWXDNZ-ZDUSSCGKSA-N 344.461 4.622 0 40 EJAB O=C(c1cccc(CN2CCCCC2)c1)c1ccc(F)c(Cl)c1 2515019 HGHUSDJDRSWVRY-UHFFFAOYSA-N 331.818 4.696 0 40 EJAB O=C(CSc1nc2cc(Cl)ccc2o1)c1c[nH]c2ccccc12 3244451 NZZPTNROEAKULF-UHFFFAOYSA-N 342.807 4.938 0 40 EJAB Cc1cc(NC(=S)Nc2ccc(F)cc2)ccc1Br 3328444 VLLAIQZNXLCSKD-UHFFFAOYSA-N 339.233 4.706 0 40 EJAB CCCCc1ccc(N[C@@H]2SC(=O)N(c3ccccc3)C2=O)cc1 3647900 LXLDPZCGBHSJDR-QGZVFWFLSA-N 340.448 4.667 0 40 EJAB Cc1ccc(NC2(c3nnnn3C3CCCCC3)CCCCC2)cc1 4663370 CYDXDWDYMLBPNN-UHFFFAOYSA-N 339.487 4.758 0 40 EJAB C[C@H](NC(=O)/C=C/c1cccc(F)c1)C12CC3CC(CC(C3)C1)C2 5445881 BBEUCQBPQDRFQW-PZWYLYFSSA-N 327.443 4.560 0 40 EJAB CC[C@@H](C)c1ccc(NCCC(=O)c2ccc3c(c2)OCO3)cc1 6026740 XMJNBNWOYODSSI-CQSZACIVSA-N 325.408 4.614 0 40 EJAB O=C(Nc1ccccc1Cc1ccccc1)C1(c2ccccc2)CC1 6588923 VWCUZDUZYFSZIT-UHFFFAOYSA-N 327.427 4.948 0 40 EJAB c1ccc2oc(CN3CCC(c4nc5ccccc5s4)CC3)nc2c1 8076287 LMZHSPRRCLPEHI-UHFFFAOYSA-N 349.459 4.817 0 40 EJAB COc1cc(SC)ccc1C(=O)Nc1c(C)cc(C)cc1Cl 8131116 RZTNHQHDEUCPBR-UHFFFAOYSA-N 335.856 4.940 0 40 EJAB CC(=O)Nc1ccccc1OCc1coc(-c2ccc(Cl)cc2)n1 9987250 RVEDQTDPKDQFKW-UHFFFAOYSA-N 342.782 4.532 0 40 EJAB O=C(CNc1ccccc1Sc1ccccc1)NC1CCCCC1 11619573 LIWWATLGJDUDMP-UHFFFAOYSA-N 340.492 4.699 0 40 EJAB CC[C@H](NC(=O)Cc1coc2cc(C)ccc12)c1ccc(OC)cc1 12806298 GUHJGFUAWDXFOB-IBGZPJMESA-N 337.419 4.560 0 40 EJAB CCOC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)c(C)c1 13672979 FLYYWPYZPFVYOQ-UHFFFAOYSA-N 339.435 4.722 0 40 EJAB Cc1ccc(NC(=O)N(C2=NCCC2)c2cccc(Cl)c2)cc1 17042308 ZMHCABWDECNSEA-UHFFFAOYSA-N 327.815 4.879 0 40 EJAB COC(=O)c1ccc(-c2ccc(/C=C(/c3ccccc3)[N+](=O)[O-])o2)cc1 17146104 TYPCDKPAHSDYRZ-AQTBWJFISA-N 349.342 4.508 0 40 EJAB COc1ccc2cc([C@H]3SCC(=O)N3Cc3ccccc3)ccc2c1 17198401 XLLNSBWOYSTERU-OAQYLSRUSA-N 349.455 4.623 0 40 EJAB CCCc1nnc(NC(=O)c2ccccc2Oc2ccccc2)s1 18889619 ABMDPHMMZGQQEG-UHFFFAOYSA-N 339.420 4.535 0 40 EJAB O=C(c1ccc(CN2CCCc3ccccc32)cc1)N1CCCCCC1 20457184 BOGNKUQBLYMPCL-UHFFFAOYSA-N 348.490 4.656 0 40 EJAB Clc1ccc(Cl)c(-c2noc(-c3cccnc3Cl)n2)c1 34797752 QZVIEDLUXOBTKG-UHFFFAOYSA-N 326.570 4.759 0 40 EJAB CCOC(=O)c1cccc(Nc2ccnc3ccc(Cl)cc23)c1 34925927 NJPMBUXJKZHWNH-UHFFFAOYSA-N 326.783 4.809 0 40 EJAB Cc1ccc(CC(=O)Nc2c(C)cccc2-c2nc(C(C)C)no2)cc1 65487907 GSTYCUGOQKASOX-UHFFFAOYSA-N 349.434 4.658 0 40 EJAB c1cc(COC[C@@H]2CCCCO2)cc(Nc2nc3ccccc3o2)c1 84600454 ANYGDNPLHMZFHU-KRWDZBQOSA-N 338.407 4.657 0 40 EJAB O=C(NCc1ccccc1-c1ccsc1)c1ccccc1Cl 96122924 BWPBHHWXDCPFFP-UHFFFAOYSA-N 327.836 4.999 0 40 EJAB CC[C@@H](NC(=O)[C@@H](C)Oc1cccc2c1CCCC2)c1ccccc1 223744205 CFPWBIMMFDQZHX-OXQOHEQNSA-N 337.463 4.600 0 40 EJAB CCNC(=O)c1ccc(OCC)c(COc2ccccc2C(C)C)c1 224561871 ZMYIOQNUCIOZJE-UHFFFAOYSA-N 341.451 4.537 0 40 EJAB Cc1cccc([C@@H](NC(=O)Cc2ccccc2F)c2ccccc2)c1 225449608 UJRNJYZJNWLEJF-QFIPXVFZSA-N 333.406 4.582 0 40 EJAB CCNC(=O)c1cc(N)ccc1Nc1ccccc1Oc1ccccc1 225495076 HPSDKSKPKLEGNZ-UHFFFAOYSA-N 347.418 4.554 0 40 EJAB CCc1ccc(NC(=S)NC[C@H](CC)Cc2ccccc2)cc1 225630521 CSOZJCHTHBAEAE-QGZVFWFLSA-N 326.509 4.804 0 40 EJAB Cc1nc(-n2cnc3cc(C)c(C)cc32)c2c3c(sc2n1)CCCC3 91425 YYPWWDGSZHLGPF-UHFFFAOYSA-N 348.475 4.834 0 40 EJAB Cc1ccc2nc(-c3ccccc3O)c(NCc3ccccc3)n2c1 413713 SAGVDSVANBABRR-UHFFFAOYSA-N 329.403 4.627 0 40 EJAB COc1ccc2oc3cc(C)[n+]([O-])c(-c4ccc(Cl)cc4)c3c2c1 543007 CHUBMNMRGAUHOR-UHFFFAOYSA-N 339.778 4.857 0 40 EJAB CCCCCCOc1ccc(/C=C/c2cc[n+](C)cc2)cc1OC 1810818 OFCJFXFFPRPKRZ-CMDGGOBGSA-N 326.460 4.649 0 40 EJAB COc1cnc(-c2ccccn2)nc1Oc1ccc(C(C)(C)C)cc1 3128553 VNLWZRKMSPUMKX-UHFFFAOYSA-N 335.407 4.637 0 40 EJAB O=C(CC(c1ccccc1)c1ccccc1)NCc1ccccc1F 3282371 JNEMWWQMAGIBJP-UHFFFAOYSA-N 333.406 4.664 0 40 EJAB COC1(OC)CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1 4041979 LLKUOQXUUFDONQ-VEXWFWOFSA-N 334.500 4.587 0 40 EJAB biogenic Cc1ccc(C(C)C)c(OCCCCCCNC[C@H]2CCCO2)c1 5856425 LHQBJAXIPLIGRV-LJQANCHMSA-N 333.516 4.826 0 40 EJAB CCC[C@@H](C(=O)Nc1cc(OC)c(OC)cc1C)c1ccccc1 6258885 YNCZQLJWNGJNTR-MRXNPFEDSA-N 327.424 4.535 0 40 EJAB CC(C)c1ccc(-c2nc(CSc3nnc(N)s3)cs2)cc1 7536125 BFCHHKBBUSWTGW-UHFFFAOYSA-N 348.522 4.660 0 40 EJAB Cc1ccc(/C=C2\CCn3c2nc2cc(Cl)ccc2c3=O)c(C)c1 7699612 UUVJWXHKTLOOTO-XNTDXEJSSA-N 336.822 4.611 0 40 EJAB Cc1nc(Nc2ccc(F)cc2)nc2c1C(=O)C[C@@H](c1ccccc1)C2 10156641 SYWTXKMQFSADLT-HNNXBMFYSA-N 347.393 4.580 0 40 EJAB Cc1cccc(C)c1NC(=O)C1=Cc2cc(Cl)ccc2OC=C1 15838571 TUAZKVMLVZPLQJ-UHFFFAOYSA-N 325.795 4.885 0 40 EJAB Cc1ccc2oc(C(=O)Nc3ccc(Cl)cc3Cl)cc(=O)c2c1 18114723 XTJGLDAKGKKNNK-UHFFFAOYSA-N 348.185 4.661 0 40 EJAB CSc1ccc([C@@H](C)NC(=O)c2cccc(C(F)(F)F)c2)cc1 20029673 IXJPXBYHPSIWJT-LLVKDONJSA-N 339.382 4.918 0 40 EJAB COc1ccc(SCc2noc(-c3ccc(Cl)cc3)n2)cc1 28189032 XNCYNNHTXUGFER-UHFFFAOYSA-N 332.812 4.691 0 40 EJAB CN(C(=O)CSCc1c(Cl)cccc1Cl)C1CCCC1 30853125 WRDXNZMMUSWASF-UHFFFAOYSA-N 332.296 4.628 0 40 EJAB Cc1ccc(-c2nc(C)c(C(=O)Nc3nc(C(C)C)cs3)s2)o1 31228260 NJISOVYIPJMTJI-UHFFFAOYSA-N 347.465 4.852 0 40 EJAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)N[C@H](C)CCc2ccccc2)c1 44901637 VGMRHXLPVHXGQT-IEBWSBKVSA-N 339.479 4.517 0 40 EJAB CCOc1ccccc1C(=O)Nc1ccc(Oc2ccccc2)nc1 48303539 PMYPZSWMYHQGNB-UHFFFAOYSA-N 334.375 4.525 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)c(C)c1 59351615 SEQWKONFOURCEF-QZTJIDSGSA-N 325.452 4.565 0 40 EJAB Cc1ccccc1Cc1cnc(NC(=O)c2c(C)oc(C)c2C)s1 60688109 YOVXTVQLPPXJLZ-UHFFFAOYSA-N 340.448 4.813 0 40 EJAB Fc1cc(F)cc(NC(=S)Nc2cccc(C(F)(F)F)c2)c1 67219610 MPJYTRLVLFLGMF-UHFFFAOYSA-N 332.297 4.793 0 40 EJAB COc1cccc2cc(CN[C@H]3CCOc4c(Cl)cccc43)oc12 67248737 GOVSSYVGXIIFOH-INIZCTEOSA-N 343.810 4.708 0 40 EJAB Cc1nc(C(=O)Nc2cccc(COC3CCCCC3)c2)cs1 84272009 LYZYRFCSSXEZLA-UHFFFAOYSA-N 330.453 4.553 0 40 EJAB O=C(Nc1ccc(OC2CCCC2)cc1)[C@H]1Cc2ccccc2S1 84581782 UWZPDXAAXFYROT-LJQANCHMSA-N 339.460 4.664 0 40 EJAB C[C@H](NC(=S)N1CCC[C@H]1c1cccc(F)c1)c1ccccc1 84656599 BLBAFQKAHLSWPG-KSSFIOAISA-N 328.456 4.598 0 40 EJAB O=C(Cc1cccs1)c1ccc(Br)c(C(F)(F)F)c1 124494283 FKNNRHFMCLSWJX-UHFFFAOYSA-N 349.171 4.955 0 40 EJAB Cc1nc(C)c(C(=O)N2CCCC[C@H](c3ccc(Cl)cc3)C2)s1 206878467 SUTILNQZLMILEN-HNNXBMFYSA-N 348.899 4.823 0 40 EJAB O=C(NCc1cccc2ccccc12)c1ccc(N2CCCCC2)cc1 222857524 UJJOXORVTBEGHX-UHFFFAOYSA-N 344.458 4.760 0 40 EJAB O=C(O)[C@@H](Cc1cccc(Cl)c1Cl)Oc1cccc(Cl)c1 225082298 MKKGHTORWIFKSP-CYBMUJFWSA-N 345.609 4.722 0 40 EJAB CO[C@]1(C(=O)Nc2ccc(OC3CCCC3)cc2)CCC[C@@H](C)C1 225633739 YWWRJSWPNZDUTN-FOIQADDNSA-N 331.456 4.542 0 40 EJAB Cc1ccc(-c2ccc(C(=O)N(C)Cc3cccs3)c(C)n2)cc1 257173564 QVIMHQAJIQGVLO-UHFFFAOYSA-N 336.460 4.699 0 40 EJAB Cc1cccc(NC(=O)COc2ccc3oc4c(c3c2)CCCC4)c1 348648 NYMGMWGUBBEZSL-UHFFFAOYSA-N 335.403 4.638 0 40 EJAB CCOc1ccc(Nc2ncnc3sc4c(c23)C[C@H](C)CC4)cc1 1472988 ZFXSUWRQXHQZJJ-GFCCVEGCSA-N 339.464 4.958 0 40 EJAB C[C@H]1CC(C)(C)N2C(=O)[C@@]3(Nc4ccccc4S3)c3cccc1c32 2352455 BFQJGJYTDOYXDQ-FKIZINRSSA-N 336.460 4.690 0 40 EJAB O=C(CCc1cc(F)c(F)c(F)c1)c1ccc(C(F)(F)F)cc1 2517868 ULDHWBLQGOZMDK-UHFFFAOYSA-N 332.243 4.938 0 40 EJAB COc1ccc(Cl)cc1NC(=O)c1cc(Cl)ccc1Cl 2622528 MWVAESIUMCOKMJ-UHFFFAOYSA-N 330.598 4.908 0 40 EJAB CSc1nc2scc(-c3cccs3)c2c(=O)n1CC(C)C 3333056 OEILYWCANQUVTA-UHFFFAOYSA-N 336.507 4.564 0 40 EJAB C[C@@H]1CCc2nc(NC(=O)Cc3cccc4ccccc34)sc2C1 4069833 ZYAUTFMPQGHWGZ-CYBMUJFWSA-N 336.460 4.602 0 40 EJAB CC(=O)[C@H]1[C@H](C)C[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 4073873 XXSFRYVGIQYVIQ-HLLDMODTSA-N 330.512 4.761 0 40 EJAB biogenic CCC(=O)Nc1ccc(C(=O)CSc2ccc(Cl)cc2)cc1 5105626 QSMWLZPWYUWRKZ-UHFFFAOYSA-N 333.840 4.664 0 40 EJAB CN(C)C[C@@H]1CCCCCCCCCCCC[C@H](CN(C)C)C1=O 5837339 BAXULGVCSVLJSN-BGYRXZFFSA-N 338.580 4.606 0 40 EJAB CCCNCc1ccc(OCc2ccccc2Cl)c(OCC)c1 7262371 OSZLAGIKAZRCED-UHFFFAOYSA-N 333.859 4.817 0 40 EJAB C[C@H](Oc1ccccc1)C(=O)Nc1nc2c(ccc3ccccc32)s1 7670821 CUGWHJBQCJCHMM-ZDUSSCGKSA-N 348.427 4.856 0 40 EJAB C[C@@H](NC(=O)CCSc1ccc(Cl)cc1)c1ccc(F)cc1 8285360 AHPWDJCACGMYLX-GFCCVEGCSA-N 337.847 4.839 0 40 EJAB O=C(Nc1ccc(Cl)cc1Cl)c1nc(Cl)ccc1Cl 8707038 DGPYTCMBRDKRQD-UHFFFAOYSA-N 336.005 4.948 0 40 EJAB Cc1ccc(-c2cnc(CCC(=O)Nc3cccc(F)c3)o2)cc1C 12765232 HFDFFYHFOGPZPY-UHFFFAOYSA-N 338.382 4.669 0 40 EJAB Cc1nc(-c2ccc(CNC(=O)c3ccc(Cl)cc3)cc2)cs1 12975083 WDLNLAMYVKEUBC-UHFFFAOYSA-N 342.851 4.702 0 40 EJAB Cc1ccc(C(=O)N2CCC[C@H](c3cc4ccccc4cn3)C2)s1 19216899 DPFRUPOYZDHLDO-KRWDZBQOSA-N 336.460 4.625 0 40 EJAB CCOc1ccc(CCC(=O)Nc2ccccc2Cl)cc1OCC 19932037 FUSVVWDPZIPFCE-UHFFFAOYSA-N 347.842 4.709 0 40 EJAB C[C@@H](NCc1ccc(-c2ccc(Cl)cc2)o1)[C@@H](O)c1ccccc1 22076539 OGFNMONHJWTTDB-JLTOFOAXSA-N 341.838 4.812 0 40 EJAB CCC[C@@H](C)NC(=O)c1ccc(CN2CCCc3ccccc32)cc1 38772726 KICUSJGRMCLNRV-QGZVFWFLSA-N 336.479 4.558 0 40 EJAB CC1=CC(C)(C)N([C@H](O)C(Cl)(Cl)Cl)c2ccc(C)cc21 59370477 NWRBNQNGWPABQX-CYBMUJFWSA-N 334.674 4.686 0 40 EJAB O=C(CSCc1ccc(F)c2ccccc12)Nc1ccccc1 59484693 LJGCLKCCQNGJME-UHFFFAOYSA-N 325.408 4.851 0 40 EJAB CCc1ccc([C@@H](C)NC(=O)[C@@H](CC)Oc2ccccc2C)cc1 78458333 BRBICAYWICCJOF-VQIMIIECSA-N 325.452 4.592 0 40 EJAB CCO[C@H](C)c1nc(CN[C@@]2(C)CCCc3ccccc32)cs1 95960511 DBEZIRXABCBRRX-KUHUBIRLSA-N 330.497 4.582 0 40 EJAB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1c(Cl)cccc1Cl)CC2=O 100745754 SIJRAWONRGAXTG-IAGOWNOFSA-N 340.250 4.717 0 40 EJAB O=C(NCCc1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1 167037498 PIDBXAJLSIRENC-UHFFFAOYSA-N 335.834 4.980 0 40 EJAB CC[C@H](Oc1ccccc1)C(=O)N[C@H](C)c1cc(C)c(C)cc1C 223491778 NFFYHNMICXFGNR-XLIONFOSSA-N 325.452 4.647 0 40 EJAB Cc1cc(Cl)ccc1NC(=O)c1ccc2c(c1)OCC(C)(C)CO2 225359831 HYJYJHHISRUHRD-UHFFFAOYSA-N 345.826 4.698 0 40 EJAB CCOc1ccc(C(=O)N[C@H](CC)c2ccc(C)c(C)c2)cc1C 225633087 WBEPLZDLBXJCGZ-LJQANCHMSA-N 325.452 4.892 0 40 EJAB CCCO[C@@]1(C(=O)Nc2ccc(OCC)c(C)c2)CCC[C@H](C)C1 225664951 IIFPFURGSKSKGG-YWZLYKJASA-N 333.472 4.708 0 40 EJAB COc1cccc(NC(=O)[C@@H]2[C@H]3CCC=CCCC=CCC[C@H]32)c1 252630689 VDKNMAMLBHJZFZ-PMOLBWCYSA-N 325.452 4.963 0 40 EJAB CCCC(=O)N1CCC[C@@H](c2cc(-c3ccc(F)cc3)cc(C)n2)C1 257233026 GNKMCWGCXHLJOK-QGZVFWFLSA-N 340.442 4.702 0 40 EJAB O=C(N[C@H](c1ccsc1)c1cccs1)c1ccc(F)c(F)c1 390826404 KCOGRRUSALEPML-OAHLLOKOSA-N 335.400 4.607 0 40 EJAB CC(C)c1ccc(/C=C2\S[C](Nc3ccccc3F)NC2=O)cc1 408810628 KHDPNWMCISOTDW-UHFFFAOYSA-N 341.431 4.712 0 40 EJAB COc1ccccc1OCc1ccc(C(=O)Oc2ccc(C)cc2)cc1 409179036 MPHOVEXCUFPBMR-UHFFFAOYSA-N 348.398 4.802 0 40 EJAB O=C(Nc1cc(C2CCCCC2)[nH]n1)C1(Cc2ccccc2F)CC1 1566217723 KOQHZFJJCTTZFH-UHFFFAOYSA-N 341.430 4.558 0 40 EJAB CCOc1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2)cc1OCC 147444 ZSSIKOWHKBOHLN-WUXMJOGZSA-N 345.826 4.789 0 40 EJAB CCc1ccc(C(=O)Nc2nc3cc(Cl)c(OC)cc3s2)cc1 557388 MQNKTFJRLDAQCE-UHFFFAOYSA-N 346.839 4.773 0 40 EJAB COc1ccc(/C=C/[C@@]23N=C(O)CCN2c2ccccc2C3(C)C)cc1 2367204 SZGXFOQLDGGVFH-XSEIIIHRSA-N 348.446 4.563 0 40 EJAB COc1ccc(Cl)cc1NC(=O)COc1ccc(C(C)C)c(C)c1 2622536 ZAZPGCZACUVBKB-UHFFFAOYSA-N 347.842 4.798 0 40 EJAB Clc1nc(CN2CCCCC2)nc2scc(-c3ccccc3)c12 3293365 WTFPNFUUVJRTPF-UHFFFAOYSA-N 343.883 4.998 0 40 EJAB O=C(OCc1ccccc1C(F)(F)F)c1ccc2ncsc2c1 3479691 URZCXTFCALKOJF-UHFFFAOYSA-N 337.322 4.672 0 40 EJAB O=C(CNc1ccc(C(F)(F)F)cc1)Nc1ccc(Cl)cc1F 3533786 DLPPBQMGPQXJCW-UHFFFAOYSA-N 346.711 4.549 0 40 EJAB O=c1oc(C23CC4CC(CC(C4)C2)C3)nc2sc3c(c12)CCCC3 3893036 ZCBKIUFJKUZUPD-UHFFFAOYSA-N 341.476 4.596 0 40 EJAB CC(C)Cn1cc(/C=C2\SC(=O)N(C(C)C)C2=O)c2ccccc21 4675777 CXGDTHPKTIDOHG-MFOYZWKCSA-N 342.464 4.742 0 40 EJAB Clc1ccc(COc2cccc(CNc3nccs3)c2)cc1 5671358 QSVVQZBPHRVYKZ-UHFFFAOYSA-N 330.840 4.988 0 40 EJAB CCCCCCC(=O)Sc1nccc(-c2ccc(OC)cc2)n1 5792302 AICVJEWKXGKSMO-UHFFFAOYSA-N 330.453 4.741 0 40 EJAB COc1ccc(SCC(=O)N[C@@H](CC(C)C)c2ccccc2)cc1 7154600 BYUIIQDMTABKMX-IBGZPJMESA-N 343.492 4.691 0 40 EJAB COc1ccc(-c2nc(-c3ccc(NC(C)=O)cc3F)cs2)cc1 8225471 OEHUGYAIUHCKPV-UHFFFAOYSA-N 342.395 4.583 0 40 EJAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 8239105 NWEQMMPONQXHHZ-VIFPVBQESA-N 328.170 4.539 0 40 EJAB O=C(Nc1ccccc1F)c1ccc(OCCc2ccccc2)cc1 8564278 GGFAHELEFPGGBH-UHFFFAOYSA-N 335.378 4.700 0 40 EJAB Cc1ccc(Cl)cc1NC(=O)Cc1cc(-c2cccs2)on1 12422262 AGARXZODSKNLGP-UHFFFAOYSA-N 332.812 4.546 0 40 EJAB O=N/C=C1\C=CC=CN1CCCCCCN1C=CC=C/C1=C\N=O 12481969 AZBNAGGNLZHEDV-YTEMWHBBSA-N 326.400 4.533 0 40 EJAB CCc1cccc(C)c1Nc1nnc(SCc2cc(C)on2)s1 12534540 AOAUYEUQUWIQSF-UHFFFAOYSA-N 346.481 4.741 0 40 EJAB Cc1ccc(CN(C)C(=O)/C(=C/c2ccco2)c2ccccc2)cc1 20036593 LAWSOFZGAVJXOW-RCCKNPSSSA-N 331.415 4.787 0 40 EJAB O=C(NC1CCCC1)c1ccc(OCCSc2ccccc2)cc1 20452693 FQKMPUJZBYNZRV-UHFFFAOYSA-N 341.476 4.530 0 40 EJAB O=C(Nc1nc(-c2cccs2)cs1)c1cc(Cl)ccc1F 21588718 ARGLRAYJPSHQOJ-UHFFFAOYSA-N 338.816 4.916 0 40 EJAB Cc1cc(C(=O)CCC(=O)N2CCC[C@@H]2c2cccs2)c(C)s1 22131894 CQNLRDBIOMKXOK-OAHLLOKOSA-N 347.505 4.753 0 40 EJAB CN(C)CCN(Cc1ccc(Cl)c(Cl)c1)Cc1cccs1 23247842 URGQVWZBKCBSRV-UHFFFAOYSA-N 343.323 4.619 0 40 EJAB Cc1ccccc1OCc1ccc(C(=O)N2c3ccccc3C[C@@H]2C)o1 27972662 OLTSVXLUSRIUJY-INIZCTEOSA-N 347.414 4.758 0 40 EJAB Cc1ccc(Cn2ccc(NC(=O)Nc3cccc(Cl)c3)n2)cc1 28230086 YMUYWTJQXQYCPS-UHFFFAOYSA-N 340.814 4.537 0 40 EJAB Cc1ccccc1NC(=O)c1cc2cc(Br)ccc2o1 28250079 DYJKJSUCARGJKE-UHFFFAOYSA-N 330.181 4.756 0 40 EJAB C[C@H](Nc1ccc2oc(C(C)(C)C)nc2c1)c1nc(C(C)(C)C)no1 40086316 YKDXIRNYPMLVCS-NSHDSACASA-N 342.443 4.979 0 40 EJAB Cc1ccc2c(NC(=O)COc3ccc(C(C)C)cc3)cccc2n1 44443014 IOJKMVMHBVTLOV-UHFFFAOYSA-N 334.419 4.684 0 40 EJAB Cc1ccccc1[C@H](C)NC(=O)CSCCCc1ccccc1 48354563 DJPITBNPTDGTPA-KRWDZBQOSA-N 327.493 4.538 0 40 EJAB O=C(Nc1ccccc1)[C@H](Nc1nc2ccccc2o1)c1ccccc1 54389251 OUBSQMSEZQNEAP-LJQANCHMSA-N 343.386 4.620 0 40 EJAB Cc1cc(C)c(NC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)c(C)c1 57412463 GKPLKAYXJJQUDZ-UHFFFAOYSA-N 339.826 4.908 0 40 EJAB O=[S@](Cc1coc(-c2ccccc2)n1)Cc1ccc(F)cc1Cl 69558783 RIQPFGMSCJZHDJ-HSZRJFAPSA-N 349.814 4.583 0 40 EJAB c1ccc(COc2ccc([C@@H]3CCCN3Cc3ccccc3)cn2)cc1 72212009 FITSZYCSTWFXNF-QFIPXVFZSA-N 344.458 4.998 0 40 EJAB Cc1cc2[nH]c(-c3ccc(N)cc3Br)nc2cc1Cl 73639294 YQLUFLRNALIQIV-UHFFFAOYSA-N 336.620 4.536 0 40 EJAB Cc1cc(CNC(=O)N(C2CC2)[C@@H](C)c2ccc3ccccc3c2)no1 86371625 QISKSDQUGQKHBK-HNNXBMFYSA-N 349.434 4.571 0 40 EJAB Fc1cc(Br)cc(Cl)c1OC(Cl)(Cl)Cl 95215397 OYSDCBNZXHVOEG-UHFFFAOYSA-N 342.806 4.948 0 40 EJAB O=C(c1nc(C23CC4CC(CC(C4)C2)C3)n2ccccc12)C(F)(F)F 96319640 NMCSDFMCWSCEIE-UHFFFAOYSA-N 348.368 4.547 0 40 EJAB Cc1ccc2ccccc2c1[C@H](O)c1ccccc1Br 160970117 MWBHXSIGVOSIQD-GOSISDBHSA-N 327.221 4.992 0 40 EJAB Cc1cccc(O[C@@H](C)C(=O)NCc2cccc3ccccc23)c1C 222871970 AHUITYFUSRZGMB-KRWDZBQOSA-N 333.431 4.540 0 40 EJAB CCC1(CC)C[C@@H](NC(=O)c2ccc(OC)cc2)c2ccccc2O1 223110445 GODPGTXXNFAREY-GOSISDBHSA-N 339.435 4.508 0 40 EJAB CC[C@H](Oc1ccccc1Cl)C(=O)NC(C)(C)Cc1ccccc1 223924891 MUZQWFQYSLNYFX-KRWDZBQOSA-N 345.870 4.635 0 40 EJAB CCNc1ccc2oc(-c3ccc(OC)c(Br)c3)nc2c1 226283683 FSYYAOMOEFIYGW-UHFFFAOYSA-N 347.212 4.698 0 40 EJAB C[C@H](O)[C@]1(C)CCC2=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C[C@H](O)CC[C@]12C 253617277 GKVQKZCWVOOFCZ-RGXVKZSFSA-N 332.528 4.841 0 40 EJAB Cc1cc(C)cc(Oc2ccc(NC(=O)[C@H]3C[C@H]4CC[C@H]3O4)cc2)c1 504757854 VWYWLUUIRKDASV-YZGWKJHDSA-N 337.419 4.602 0 40 EJAB CCSc1nnc(CNc2ccc(C)cc2C)n1-c1ccccc1 887799 PHXLFEVLMNSFHG-UHFFFAOYSA-N 338.480 4.608 0 40 EJAB C[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccccc2Cl)N3)C1 2492884 PUGTXTOXWGPIBZ-BJOHPYRUSA-N 332.856 4.955 0 40 EJAB O=C(Nc1ccc(-c2nc3cccnc3s2)cc1)c1ccc(F)cc1 2961292 QXSOVWDUMJGJGS-UHFFFAOYSA-N 349.390 4.750 0 40 EJAB C[C@H](Cc1ccccc1)NCCCCCN[C@H](C)Cc1ccccc1 3058797 VYPSZCHCIAMVOW-NHCUHLMSSA-N 338.539 4.598 0 40 EJAB c1ccc(-c2nc(N3CCc4ccccc4C3)c3ccccc3n2)cc1 3338377 XXSJTMKHAOMLAB-UHFFFAOYSA-N 337.426 4.860 0 40 EJAB C[C@H]1CC2=C(C[C@@H]1[C@@H]1OC[C@H](CN3CCCCC3)O1)C(C)(C)CCC2 4005770 GWNYATQURCVOGA-MCNSAMFCSA-N 347.543 4.767 0 40 EJAB CCn1c(SCc2ccccc2)nnc1-c1ccc(Cl)cc1 4600404 LMBKYILLWYZNEC-UHFFFAOYSA-N 329.856 4.911 0 40 EJAB CC(C)(CC(=O)O)CC(=O)NC1CCCCCCCCCCC1 4691094 SDDBOKHPIDXNIT-UHFFFAOYSA-N 325.493 4.667 0 40 EJAB CC1=C(C)[C@@H](c2cn(C)c3ccccc23)N(Cc2ccccc2)C1=O 4748268 SSJVDWMCJUEBJM-NRFANRHFSA-N 330.431 4.598 0 40 EJAB Cc1ccc(C)c(CSc2ncnc3c2cnn3-c2ccccc2)c1 5478211 KLJRQAIRNNFHSO-UHFFFAOYSA-N 346.459 4.725 0 40 EJAB Cc1c(C=O)c2ccccc2n1CC(=O)Nc1ccc2ccccc2c1 6043928 GMAGHUUXRXQHEW-UHFFFAOYSA-N 342.398 4.554 0 40 EJAB C[C@@H](Sc1nnc(-c2ccccc2)n1C)c1ccccc1Cl 6140523 HJWYBPYHCPGDBF-GFCCVEGCSA-N 329.856 4.989 0 40 EJAB COc1ccc(C(=O)Oc2ccc(C(C)(C)C)cc2C)cc1OC 6903860 JULKYCDOCTXDAO-UHFFFAOYSA-N 328.408 4.529 0 40 EJAB O=C(Nc1ccccc1)N(CCc1ccccc1)Cc1ccccc1 6927341 RYDYMWSWXCZUQP-UHFFFAOYSA-N 330.431 4.963 0 40 EJAB CCOc1cc(CNCc2ccccc2)ccc1OCc1ccccc1 8254656 VEZSIXMDSSFCMJ-UHFFFAOYSA-N 347.458 4.954 0 40 EJAB CC[C@H](C)NCc1ccc(OCc2ccccc2Cl)c(OC)c1 8326722 LTANOCNKQUEAOV-AWEZNQCLSA-N 333.859 4.816 0 40 EJAB CC[C@H](C)NCc1cccc(OC)c1OCc1ccc(Cl)cc1 8326777 BCEFZMJGUVIFCC-AWEZNQCLSA-N 333.859 4.816 0 40 EJAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1ccc(Cl)cc1 8734150 PWAXXZULQYYEJE-UHFFFAOYSA-N 344.773 4.705 0 40 EJAB COc1ccc2cc(CNC(=O)c3ccc(F)cc3Cl)ccc2c1 11124647 QVBOBYIUKPWMBM-UHFFFAOYSA-N 343.785 4.571 0 40 EJAB O=C(Nc1ccncc1)c1ccccc1SCc1ccsc1 12594023 PVLKAQQYKRTULN-UHFFFAOYSA-N 326.446 4.688 0 40 EJAB CC(C)CCN1C(=O)c2ccccc2[C@H]1c1cn(C)c2ccccc12 13942382 DVKHZNPMWLRWQJ-NRFANRHFSA-N 332.447 4.770 0 40 EJAB C[C@H](CNC(=O)C1c2ccccc2Oc2ccccc21)c1ccccc1 14604997 DDTDKMWFJOOOIH-MRXNPFEDSA-N 343.426 4.844 0 40 EJAB COc1ccc(C)cc1NC(=O)[C@@H](C)SCCCc1ccccc1 15492056 UQFMPHCBEYRLKQ-MRXNPFEDSA-N 343.492 4.697 0 40 EJAB CCn1c(Cc2cccs2)nnc1SCc1cccc(C)c1 17067593 GDZHUOFIWMDLCL-UHFFFAOYSA-N 329.494 4.551 0 40 EJAB Nc1c(C(=O)c2ccccc2)sc2nc(-c3ccccc3F)ccc12 19853485 PCQDMCLYNMXKTP-UHFFFAOYSA-N 348.402 4.916 0 40 EJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N[C@@H](C)c1cc(C)ccc1C 20111467 NEKYQXJZNLRBQD-RXVVDRJESA-N 339.479 4.955 0 40 EJAB CCSc1ccccc1NC(=O)[C@@H](CC)Oc1cccc(C)c1 20495767 IYNXKIASIJFTRE-QGZVFWFLSA-N 329.465 4.903 0 40 EJAB Cc1nn(-c2ccc(Cl)cc2)c2c1C(=O)C[C@H](c1ccccc1)C2 20632756 GIWWZKHMUHCIBL-OAHLLOKOSA-N 336.822 4.747 0 40 EJAB CCCc1nc2ccc(NC(=O)c3ccc(F)cc3F)cc2s1 22254956 AHUVBSNXJKETNQ-UHFFFAOYSA-N 332.375 4.779 0 40 EJAB O=C(NCc1ccco1)c1ccc(CSCc2ccccc2)cc1 24605950 ZXAMOAPGODZBFW-UHFFFAOYSA-N 337.444 4.643 0 40 EJAB O=C(Nc1ccc(-c2nc3cnccc3o2)cc1)c1ccccc1Cl 32097179 DCAMCDKJUHUMCW-UHFFFAOYSA-N 349.777 4.796 0 40 EJAB Cc1cccn2c(NC(=O)CC3CCCC3)c(-c3ccccc3)nc12 58413003 MXYDDHMZMOMONA-UHFFFAOYSA-N 333.435 4.829 0 40 EJAB Cc1ccc(NC(=O)c2ccc(OCC3CC3)cc2)c2cccnc12 58434042 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Cc1cccc(OCC(=O)NCCCc2ccc(C(C)C)cc2)c1C 222823402 NXGOIQPCONZSBS-UHFFFAOYSA-N 339.479 4.555 0 40 EJAB CC[C@H](NC(=O)COc1ccc(C)cc1)c1ccc2c(c1)CCCC2 223125912 YSWBDYPCWHCGEQ-NRFANRHFSA-N 337.463 4.520 0 40 EJAB Cc1ccc(CC(=O)Nc2ccccc2C(=O)c2ccccc2)c(C)c1 224317426 PWLCRCPHURRDJH-UHFFFAOYSA-N 343.426 4.716 0 40 EJAB CNC(=O)c1ccc(Nc2ccccc2Sc2ccccc2)c(N)c1 225446998 DYBCHYAUKKRSBC-UHFFFAOYSA-N 349.459 4.523 0 40 EJAB COc1ccc(C)cc1N(C(=O)OC(C)(C)C)c1cc(C)ccn1 228951803 LAYSNHBJCPJVJI-UHFFFAOYSA-N 328.412 4.780 0 40 EJAB CC(C)CNC(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1 115380 MKKXCJUQPHAGHE-UHFFFAOYSA-N 342.222 4.551 0 40 EJAB CC[C@](C)(CC(=O)NCc1ccc(OC(C)C)cc1)c1ccccc1 530800 GQAGYQMHJDLKGK-JOCHJYFZSA-N 339.479 4.848 0 40 EJAB CN(C(=S)NCc1ccccc1)C(c1ccccc1)c1ccccc1 2647098 JGIZYPPVJBAFCQ-UHFFFAOYSA-N 346.499 4.783 0 40 EJAB Cc1ccccc1Cn1c([C@@H](C)NC(=O)C(C)(C)C)nc2ccccc21 2721325 GEKDHBBFHDIHFL-MRXNPFEDSA-N 349.478 4.616 0 40 EJAB O=C(OCC(=O)c1cccs1)c1ccc(Oc2ccccc2)cc1 3272646 PHEWYOGBDHQGOP-UHFFFAOYSA-N 338.384 4.580 0 40 EJAB CC(=O)Nc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 3381755 VZYXMHDXWRGUOU-UHFFFAOYSA-N 346.386 4.690 0 40 EJAB CCc1ccc(CNc2ncc(-c3cccc(Cl)c3)n2C)cc1 4678239 NOPUPSCVWDUJOK-UHFFFAOYSA-N 325.843 4.915 0 40 EJAB Cc1cc(C)c(-c2csc(CC(=O)Nc3ccccc3)n2)c(C)c1 4700836 WXSFSQOKWRINIZ-UHFFFAOYSA-N 336.460 4.917 0 40 EJAB COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccsc2)cc1 8747494 RLHVQGKZTGSGDW-GOSISDBHSA-N 336.416 4.528 0 40 EJAB Clc1ccc(Nc2nnc(-c3ccccc3Br)[nH]2)cc1 8903514 SCHRZYMBYOGIQY-UHFFFAOYSA-N 349.619 4.631 0 40 EJAB O=C(Nc1ccccc1F)N1CC=C(c2c[nH]c3ccccc23)CC1 10383164 CKPVTRBQKYHTCL-UHFFFAOYSA-N 335.382 4.628 0 40 EJAB COc1ccc2ccc(Oc3c(C)c4ccccc4[nH]c3=O)cc2c1 12920793 UZRXIGKBHUTVAW-UHFFFAOYSA-N 331.371 4.791 0 40 EJAB CCCCOc1ccc(NC(=O)c2ccc(C)cc2)c2cccnc12 15841053 LFWIERJZGOUKLU-UHFFFAOYSA-N 334.419 4.974 0 40 EJAB CC(C)c1nnc(NC(=O)c2ccc(Oc3ccccc3)cc2)s1 16965610 AGAFMLXQCHZWCV-UHFFFAOYSA-N 339.420 4.706 0 40 EJAB Cc1cc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)cc(C)c1Cl 20483322 SQJNGJUPLBQPSX-KGLIPLIRSA-N 349.833 4.741 0 40 EJAB Fc1ccc(CSc2nnc(-c3ccc(F)cc3)n2C2CC2)cc1 32604143 SJTGANIKTNTAJC-UHFFFAOYSA-N 343.402 4.851 0 40 EJAB O=C1/C(=C\c2cccc3ccccc23)N=C(S)N1c1ccccc1 34927064 VKSZFKLTQVWHBZ-QGOAFFKASA-N 330.412 4.513 0 40 EJAB CC(=O)c1ccc(C(=O)N(C)C(c2ccccc2)c2ccccc2)s1 39994142 BNZMXOFFFRZKEM-UHFFFAOYSA-N 349.455 4.812 0 40 EJAB Fc1ccc(CN2CC[C@H](c3nc4ccccc4s3)C2)cc1F 49168927 IBVMDDUGZXRUNZ-ZDUSSCGKSA-N 330.403 4.564 0 40 EJAB biogenic,in-vitro C[C@H]1CN(C(=O)c2csc(-c3ccoc3)n2)c2ccccc2S1 88221403 ULVFNIMIZOSQDV-NSHDSACASA-N 342.445 4.544 0 40 EJAB CCCCOCc1cc(C(=O)Nc2cc(C)ccc2C)ccc1OC 224435458 BHYCIGYLMBOKEV-UHFFFAOYSA-N 341.451 4.881 0 40 EJAB CCN(CCCC(=O)O)c1cc(Cl)ccc1Oc1ccccc1 225005220 CWOHZGAEWCARQQ-UHFFFAOYSA-N 333.815 4.823 0 40 EJAB O=C(NC1(c2cccs2)CCCC1)c1nc2ccccc2s1 390826749 BOZUNFIKNVTMQO-UHFFFAOYSA-N 328.462 4.557 0 40 EJAB CC(C)(C)CC(=O)c1ccc(Br)cc1OC(F)(F)F 575362574 AHQGMBYQCHXDFN-UHFFFAOYSA-N 339.151 4.967 0 40 EJAB Cc1ccccc1C(=O)Nc1ncc(Cc2cc(F)cc(F)c2)s1 636512565 YYGQFYNFXPLXKE-UHFFFAOYSA-N 344.386 4.573 0 40 EJAB Cc1ccccc1C(=O)Oc1ccc(OC(=O)c2ccccc2C)cc1 58944 JVVAIJILMZXYSN-UHFFFAOYSA-N 346.382 4.742 0 40 EJAB Cc1ccc(NC(=O)Nc2cc(C(F)(F)F)cc(Cl)n2)cc1 165325 GGNFIOSXVHNESC-UHFFFAOYSA-N 329.709 4.706 0 40 EJAB CCn1nc(C(=O)Nc2cccc3ccccc23)c(Cl)c1Cl 341173 NFBQGUDWLWWEOS-UHFFFAOYSA-N 334.206 4.615 0 40 EJAB CC(C)(C)c1ccc(OCC(=O)Nc2cccc3cccnc23)cc1 556473 UOOALXWBMLZHKI-UHFFFAOYSA-N 334.419 4.550 0 40 EJAB CCOc1ccc([C@@H](C)c2cc3c(cc2OCC)OCO3)c(C)c1 1584171 MLROCJRZHJKKLT-CQSZACIVSA-N 328.408 4.673 0 40 EJAB CC1(C)C[C@H]2C[C@](C)(CN2C(=O)c2cc(-c3ccc(F)cc3)on2)C1 2465484 ZKJARBOZHNXDQX-YWZLYKJASA-N 342.414 4.522 0 40 EJAB COP(=O)(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OC 3123716 REQXZYIETYJMEI-UHFFFAOYSA-N 328.389 4.973 0 40 EJAB O=C(CCCc1cccs1)Nc1nc(-c2ccc(F)cc2)cs1 3328345 VSGDPFBBEZFQBN-UHFFFAOYSA-N 346.452 4.972 0 40 EJAB Brc1cccc(CSc2nnc(-c3ccccc3)o2)c1 5021200 FSCBRVHCIOEVJH-UHFFFAOYSA-N 347.237 4.791 0 40 EJAB Cc1cc(Cl)ccc1OC(=O)c1c(-c2ccccc2)noc1C 6790093 WCSLEXLXRJIGCY-UHFFFAOYSA-N 327.767 4.831 0 40 EJAB O=C(NCCCOC1CCCCC1)c1cc2cc(Cl)ccc2o1 6989351 AOKJCUDZZZEPQD-UHFFFAOYSA-N 335.831 4.555 0 40 EJAB COc1ccc(NC(=O)CCc2nc3ccccc3s2)cc1Cl 8346721 RPDVSBNVULYGJV-UHFFFAOYSA-N 346.839 4.530 0 40 EJAB CCOc1cccc(C(=O)Nc2nc3c(C)ccc(C)c3s2)c1 9141260 FCMABVDREQFURI-UHFFFAOYSA-N 326.421 4.564 0 40 EJAB COc1ccccc1N[C@H](C)C(=O)Nc1ccccc1-c1ccccc1 9315320 PKJNRHZWDNSASK-MRXNPFEDSA-N 346.430 4.801 0 40 EJAB Cc1cc(C)cc(CSCC(=O)N2CCCc3ccccc32)c1 10449447 MLHKOQHAMWWBTB-UHFFFAOYSA-N 325.477 4.516 0 40 EJAB O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1cccc(Cl)c1Cl 10925192 DGYHYWNMMSCXMO-UHFFFAOYSA-N 349.217 4.594 0 40 EJAB O=C(c1ccccc1F)N1[C@H]2CC[C@@H]1CC(c1ccc(F)cc1)C2 12159803 VZCVELBUYMRCFD-ZXFUBFMLSA-N 327.374 4.516 0 40 EJAB Clc1ccc([C@H]2[C@H]3CCCC[C@H]3[C@@H]2NCC2=CCCOC2)cc1 12337883 OEONADRMHBXMJH-YRPNKDGESA-N 331.887 4.549 0 40 EJAB Cc1ccc(/C=C/C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)o1 12931983 JTPJXNFTORCXJT-SIFUEBAJSA-N 338.432 4.575 0 40 EJAB S=C(Nc1ccc(Br)cc1)N1CCCc2ccccc21 17072213 UKLHHMWWKZSBGQ-UHFFFAOYSA-N 347.281 4.599 0 40 EJAB c1cnc2[nH]c([C@H]3CCCO3)c(CN3CCC[C@H]4CCCC[C@@H]43)c2c1 19345197 KWOGBUGUEBNTRS-AYOQOUSVSA-N 339.483 4.569 0 40 EJAB CC[C@H](NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1C)c1ccccc1 20044054 LIDKKVAUYFCNTR-MJGOQNOKSA-N 325.452 4.647 0 40 EJAB Cc1ccc(C(=O)Nc2ccc(-c3ccc(CO)o3)cc2)c(Cl)c1 20139432 PHGJCHVJWBRVNT-UHFFFAOYSA-N 341.794 4.653 0 40 EJAB COCc1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)C(C)C)cc1 24965806 SSHPDWKQYCGKDT-SFHVURJKSA-N 331.843 4.614 0 40 EJAB Cc1ccc(OC[C@@H](O)CNC(C)(C)CC(C)(C)C)c(C(C)(C)C)c1 26781096 VXSBUIYULIZAJS-KRWDZBQOSA-N 349.559 4.837 0 40 EJAB CC(=O)c1sc(NC(=O)Nc2cccc(Cl)c2Cl)nc1C 27925350 VHTIPGFFRBZALB-UHFFFAOYSA-N 344.223 4.605 0 40 EJAB Cc1cc(C(=O)CCC(=O)Nc2nc3ccccc3s2)c(C)s1 32855832 LJZKIJPFVHISLR-UHFFFAOYSA-N 344.461 4.576 0 40 EJAB O=C(Nc1ccccc1C(F)(F)F)N1CC[C@@H](c2ccccc2)C1 38567373 KKGYFBBRGGQCTN-CQSZACIVSA-N 334.341 4.727 0 40 EJAB O=C(NCc1cccc(C(F)(F)F)c1)Nc1ccccc1Cl 44845549 POXDBFGCKHCDAU-UHFFFAOYSA-N 328.721 4.681 0 40 EJAB Cc1ccc(C)c([C@@H](C)NC(=O)[C@@H](C)Oc2cccc(C)c2C)c1 59351468 FTRXGLZHLXYUDJ-QZTJIDSGSA-N 325.452 4.565 0 40 EJAB CC(C)c1csc(C2CCN(C(=O)CCc3ccsc3)CC2)n1 69737071 IFJDOAXTIDPLFP-UHFFFAOYSA-N 348.537 4.667 0 40 EJAB O=C(/C=C/c1ccsc1)N1CCCC[C@@H]1c1nc2ccccc2o1 79111207 SRLRAIQREPPJCD-ROJDOSBLSA-N 338.432 4.656 0 40 EJAB C[C@H](C1CC1)N(C)C(=O)/C=C/c1ccc(Cl)c(C(F)(F)F)c1 84636252 VRHKOKBFKNGYFY-VMKBVTSJSA-N 331.765 4.629 0 40 EJAB CCN(Cc1ccc(C(=O)Nc2cc(Cl)ccc2O)cc1)C(C)C 95939004 GBKYZHAUTFOJCY-UHFFFAOYSA-N 346.858 4.528 0 40 EJAB O=C(CSC1CCCC1)NCc1ccccc1-c1ccsc1 96383399 BHCYZNOCXDFAPF-UHFFFAOYSA-N 331.506 4.707 0 40 EJAB Cc1nc2c(-c3ccc(Cl)cc3)c(C)nn2c(O)c1CCC(C)C 102080770 KESLSFDJYUQVQF-UHFFFAOYSA-N 343.858 4.961 0 40 EJAB CC[Si](CC)(CC)c1cnc(F)c([Si](CC)(CC)CC)c1F 217336900 NQZDVJLCLFOCFW-UHFFFAOYSA-N 343.610 4.791 0 40 EJAB Cc1ccccc1CNC(=O)CCCSc1ccc(Cl)cc1 222683751 SDRZQAAYFRAQCL-UHFFFAOYSA-N 333.884 4.837 0 40 EJAB Cc1ccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1 222957367 KFZLNERNBYHTCF-IRXDYDNUSA-N 337.463 4.519 0 40 EJAB Cc1cccc(OCCNC(=O)c2ccc(-c3ccccc3)cc2)c1C 223901636 HYJYXSUVBGSBKC-UHFFFAOYSA-N 345.442 4.779 0 40 EJAB CCOc1cccc(NC(=S)N[C@@H](C)c2ccc(C)cc2C)c1 225477124 VCZYZLZYQLJPPP-HNNXBMFYSA-N 328.481 4.750 0 40 EJAB C[C@@H](c1ccccc1)[C@H]1CCCCCN1Cc1ccc(C(=O)O)o1 1615003140 GDFUUPDPYGWQRR-MAUKXSAKSA-N 327.424 4.526 0 40 EJAB CCc1c(C)nc2sc(C(=O)c3ccc(Cl)cc3)c(N)c2c1C 76218 SZRWHALEIJCHFH-UHFFFAOYSA-N 344.867 4.942 0 40 EJAB Cc1ccc(-c2nc3nc4ccccc4nc3n2-c2ccccc2)cc1 521963 NMPOLKSSFTUDNR-UHFFFAOYSA-N 336.398 4.944 0 40 EJAB FC(F)(F)c1cnc(Oc2cccc(-c3cc[nH]n3)c2)c(Cl)c1 1400033 SSCWJPCUJRJPEG-UHFFFAOYSA-N 339.704 4.936 0 40 EJAB Cc1ccc(CN2C(=O)c3ccccc3N[C@H]2C2CCCCC2)cc1 2631627 YDRUENLMTHNUPN-OAQYLSRUSA-N 334.463 4.969 0 40 EJAB CCCCn1c(SCc2ccccc2C)nc2ccsc2c1=O 2909257 AJPKJKBBBNCFTI-UHFFFAOYSA-N 344.505 4.859 0 40 EJAB Cc1cc(C)c(NC(=O)CSc2cn(C)c3ccccc23)c(C)c1 4060510 QKNOKBRKVMSNMM-UHFFFAOYSA-N 338.476 4.834 0 40 EJAB COc1cccc(OC)c1OCCCCCCN1C[C@H](C)C[C@@H](C)C1 4836886 BPLNDHPQMGBONF-QZTJIDSGSA-N 349.515 4.621 0 40 EJAB COc1cccc(NC(=O)Nc2cccc(-c3csc(C)n3)c2)c1 4940988 JMJJWPDWACXRCP-UHFFFAOYSA-N 339.420 4.771 0 40 EJAB CCOC(=O)CCCc1c(-c2ccccn2)[nH]c2ccc(Cl)cc12 5344932 MPNJFPOINTUJHV-UHFFFAOYSA-N 342.826 4.769 0 40 EJAB CCCN1C(=O)S/C(=C/c2cc(C(C)C)c(OC)cc2C)C1=O 6655842 IPFFCJSMJKZTQV-MHWRWJLKSA-N 333.453 4.573 0 40 EJAB Cc1cc(COC(=O)c2cc3sc4ccccc4c3s2)no1 7144253 OAGRUHYWBFYCMV-UHFFFAOYSA-N 329.402 4.769 0 40 EJAB CCn1c(SCc2cn3cc(Cl)ccc3n2)nc2ccccc21 7153843 SVQYUIIPIOWXQI-UHFFFAOYSA-N 342.855 4.650 0 40 EJAB Cc1ccccc1CN(C)C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 9758078 RLEPAJRORUOAPF-IBGZPJMESA-N 342.870 4.941 0 40 EJAB COc1ccc(-c2ccnc(-c3cccc(-c4ccccn4)n3)c2)cc1 13234238 ZHXIQRCVHOESNK-UHFFFAOYSA-N 339.398 4.881 0 40 EJAB C[C@H](Sc1ccc(Cl)cc1)C(=O)NCC1(c2ccccc2)CC1 14252631 IZYGOIJAVBFYHC-AWEZNQCLSA-N 345.895 4.669 0 40 EJAB C[C@H](Nc1ncnc2scc(-c3ccccc3)c12)c1ccccn1 15171937 FIBZVJIQGIKIRE-ZDUSSCGKSA-N 332.432 4.926 0 40 EJAB C[C@@H](Sc1ccc(N)cc1)C(=O)Nc1cc(Cl)ccc1Cl 17071350 UFQQJJYAJZRBLS-SECBINFHSA-N 341.263 4.695 0 40 EJAB CCc1ccccc1O[C@@H](C)C(=O)N[C@H](C)c1cc(C)ccc1C 20044387 ZMHSWGKZKLJLIV-SJORKVTESA-N 325.452 4.511 0 40 EJAB COc1ccc([C@@H](C)NC(=O)N[C@@H](c2ccccc2)C(C)C)cc1F 22426331 JARSLHMLXHPUEC-AUUYWEPGSA-N 344.430 4.592 0 40 EJAB Cc1cc(Br)c2oc(-c3cc(N)ccc3Cl)nc2c1 40542273 ADCJXIPBHZAZQL-UHFFFAOYSA-N 337.604 4.801 0 40 EJAB CC(C)(C)c1ccc(OCC[C@H]2CCCNC2)c(Br)c1 42770554 WTZRUXPOGWNLML-CYBMUJFWSA-N 340.305 4.515 0 40 EJAB CCOc1ccccc1NC(=O)[C@H](CC)Oc1cccc(Cl)c1 44902838 JPHWQIANIXKRPI-INIZCTEOSA-N 333.815 4.535 0 40 EJAB FC(F)(F)c1ccc(CN2CC[C@H](c3nc4ccccc4o3)C2)cc1 49168896 RVRFZFBILLZJFV-AWEZNQCLSA-N 346.352 4.836 0 40 EJAB biogenic,in-vitro CCOc1ccc(OCC)c(NC(=S)Nc2ccc(C)c(F)c2)c1 54298848 CHIMJFPHNMOPIZ-UHFFFAOYSA-N 348.443 4.740 0 40 EJAB C[C@H](NCc1ccccc1Cl)C(=O)Nc1ccc(C(C)(C)C)cc1 58148740 WPBRHFPEANOZOL-AWEZNQCLSA-N 344.886 4.754 0 40 EJAB C[C@@H](Sc1ccccc1)C(=O)Nc1cc(-n2cccc2)ccc1F 58175084 HHHRQDWNVUIHNH-CQSZACIVSA-N 340.423 4.736 0 40 EJAB Cc1ccc2oc(C(=O)Nc3cccc(-n4cc[nH]c4=S)c3)cc2c1 58178025 BKVGDXGWPAHHPN-UHFFFAOYSA-N 349.415 4.842 0 40 EJAB CCc1cc2c(N[C@H](c3ccccc3)[C@H]3CCCO3)ncnc2s1 58217488 NVDDZKKWHPNRQN-IAGOWNOFSA-N 339.464 4.586 0 40 EJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N[C@@H](C)c1ccc(C)c(C)c1 59351305 RNRPZWXYXCTMKM-GHTZIAJQSA-N 339.479 4.955 0 40 EJAB O=C(Nc1cccnc1)N(Cc1ccc(F)cc1)C1CCCCC1 72291464 OCLMOBIOUUWTEP-UHFFFAOYSA-N 327.403 4.588 0 40 EJAB COc1ccc(-c2n[nH]cc2/C=C/c2ccc3ccccc3n2)cc1 83952237 YKCXFBZQPHMWBZ-YRNVUSSQSA-N 327.387 4.804 0 40 EJAB O=[N+]([O-])/C(Cl)=C(/Nc1ccccc1)C(Cl)=C(Cl)Cl 103599626 DLDPTVLHFVQPFO-CSKARUKUSA-N 327.982 4.669 0 40 EJAB Cc1cccc(CSCCCNC(=S)Nc2cccc(F)c2)c1 225603624 DEXBLRBKQJVORA-UHFFFAOYSA-N 348.512 4.744 0 40 EJAB Cc1ccc(NCc2ccccc2OCc2ccc(C(=O)O)cc2)cc1 409114503 KCWPUDGYTRAYDR-UHFFFAOYSA-N 347.414 4.884 0 40 EJAB CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c1 371205 JJGRXKCRMIXEAB-OAHLLOKOSA-N 339.435 4.593 0 40 EJAB Cc1cccc(C(=O)N(C)c2nc(-c3ccc(F)cc3)cs2)c1 413135 QRXWCSOITLBLMR-UHFFFAOYSA-N 326.396 4.534 0 40 EJAB Cc1ccn2c(NC(=O)c3cccs3)c(-c3ccccc3)nc2c1 504043 HYKRSPKKQWNLOD-UHFFFAOYSA-N 333.416 4.624 0 40 EJAB COc1ccc(NC(=O)c2ccc(C(C)C)cc2)cc1Br 570555 DINRIQSHAQDEDT-UHFFFAOYSA-N 348.240 4.833 0 40 EJAB Cc1cc2nc(-c3ccc(SCc4cccnc4)nc3)[nH]c2cc1C 1329613 GBNCVVRIVQABDO-UHFFFAOYSA-N 346.459 4.929 0 40 EJAB COC(=O)[C@@H](CC(=O)c1ccccc1)c1c(Cl)cccc1Cl 1397631 FQQJZEKLZCFKTL-LBPRGKRZSA-N 337.202 4.523 0 40 EJAB CC[C@@H](C)c1ccccc1OC[C@@H](O)CNC(C)(C)CC(C)(C)C 2694448 HVYPGZIRVLSJMJ-SJORKVTESA-N 335.532 4.744 0 40 EJAB Cc1cc(O)c(C(C)C)cc1NC(=O)c1ccc(Br)cc1 3075676 WRLZQYVLQLNTJB-UHFFFAOYSA-N 348.240 4.839 0 40 EJAB COc1ccc(-c2csc3ncnc(Nc4ccc(O)cc4)c23)cc1 3418714 FRSIXLLWLHSZOD-UHFFFAOYSA-N 349.415 4.816 0 40 EJAB O=C(COc1ccc2ccccc2c1)N1CC=C(c2ccccc2)CC1 3491203 USNJGKNPTPYNLK-UHFFFAOYSA-N 343.426 4.535 0 40 EJAB O=C(COc1ccc(-c2ccccc2)cc1)N1CCCc2ccccc21 4037729 GFRIQAPNDVZZGT-UHFFFAOYSA-N 343.426 4.712 0 40 EJAB Clc1ccccc1OCCn1c([C@@H]2CCCO2)nc2ccccc21 4386867 VMQOKSFTBFHFNJ-SFHVURJKSA-N 342.826 4.620 0 40 EJAB Cc1ccc(SCC(=O)Nc2nc3c(C)ccc(C)c3s2)cc1 4496501 HWEIXLQJFLSXAX-UHFFFAOYSA-N 342.489 4.952 0 40 EJAB Nc1ccccc1SCC(=O)N(c1ccccc1)c1ccccc1 4708515 XSAUTDRGDQBXAK-UHFFFAOYSA-N 334.444 4.726 0 40 EJAB CC(C)C1=CC2=CC[C@@H]3[C@](C)(CN)CCC[C@]3(C)[C@@H]2C[C@@H]1CCN 5022263 NMPPZQLCNJPHMH-LOONRQLCSA-N 330.560 4.655 0 40 EJAB COc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)cc1OC 5634608 MFRZYDXJBJPQJU-UHFFFAOYSA-N 333.387 4.623 0 40 EJAB CC(C)Sc1nc2ccccc2c(=O)n1-c1ccccc1Cl 5938898 WVQJHQIIOPCWJC-UHFFFAOYSA-N 330.840 4.540 0 40 EJAB CC(=O)c1cccc(NC(=O)c2ccc(COc3ccccc3)cc2)c1 6790389 JRFITNBOBZHGHK-UHFFFAOYSA-N 345.398 4.721 0 40 EJAB CCN(CC)c1ccc(NC(=O)c2ccc(OC(C)C)cc2)cc1 6831228 QIMWTMWCMNZSGR-UHFFFAOYSA-N 326.440 4.572 0 40 EJAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1cccc(Cl)c1Cl 6929214 JOUDASCCMKGNAJ-VIFPVBQESA-N 328.170 4.539 0 40 EJAB CCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1C(=O)O)N2 6935454 TWTBOXWJVMSHSK-STXHMFSFSA-N 335.403 4.610 0 40 EJAB O=C1Nc2ccccc2N=C(c2ccccc2)/C1=C/c1cccs1 7814863 LZBNTAQJEXKHQB-SSZFMOIBSA-N 330.412 4.905 0 40 EJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(SC)c1 8041500 CQHIRXPJYIMENF-MRXNPFEDSA-N 335.856 4.858 0 40 EJAB O=C(Nc1cc(-c2nc3ccccc3o2)ccc1Cl)C(F)(F)F 8053921 NGQACKHVKQGDNF-UHFFFAOYSA-N 340.688 4.649 0 40 EJAB CCCCOc1ccc(C(=O)Nc2ccc3ncsc3c2)cc1 10217172 MBHOOFXYHMHFOE-UHFFFAOYSA-N 326.421 4.728 0 40 EJAB O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)[C@H]1CC=CCC1 12625215 YXRGBMULCHIBRW-INIZCTEOSA-N 325.383 4.591 0 40 EJAB CCC[C@H](C(=O)Nc1ccc2c(C)cc(=O)oc2c1)c1ccccc1 12781056 INFZUFVDGCQFKI-SFHVURJKSA-N 335.403 4.624 0 40 EJAB CCc1ccc(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1 12871094 QAOTUVSMQWEWBF-UHFFFAOYSA-N 348.450 4.704 0 40 EJAB O=C(NC1CC1)c1oc2ccccc2c1CSCc1ccccc1 12871312 BLKXFASAOHJUHN-UHFFFAOYSA-N 337.444 4.758 0 40 EJAB COc1c(C)cccc1C(=O)Nc1c(C)cc(Br)cc1C 14258163 FKVOXNMALVJJND-UHFFFAOYSA-N 348.240 4.635 0 40 EJAB O=C1C[C@H](c2cccc(Cl)c2)Cc2c1cnn2-c1ccc(F)cc1 17071318 JCLOFEBLWNUBPO-CYBMUJFWSA-N 340.785 4.578 0 40 EJAB Cc1ccccc1NC(=O)[C@@H](C)Sc1ccc(C(F)(F)F)cn1 21637959 PHELVXSPRLJCEE-LLVKDONJSA-N 340.370 4.528 0 40 EJAB CCn1c2ccccc2c2cc(CNC[C@H](O)c3ccccc3)ccc21 22076210 ZNJQJKYNVCKKJV-QHCPKHFHSA-N 344.458 4.638 0 40 EJAB CC(C)CCC[C@H](C)NC(=O)Cc1csc(-c2cccs2)n1 36357777 RKCCIRJWTMBIGE-ZDUSSCGKSA-N 336.526 4.745 0 40 EJAB CC(C)CNc1ncccc1[C@H]1CCCCN1C(=O)OC(C)(C)C 72213283 BUEZITDDUVQKGB-MRXNPFEDSA-N 333.476 4.612 0 40 EJAB COc1ccc2oc(-c3cccc(NC(=O)C(C)(C)C)c3C)nc2c1 72260298 KVEJPELCQNAGBO-UHFFFAOYSA-N 338.407 4.796 0 40 EJAB CCCCc1ccc(Nc2ccc(C(=O)OCCC)cc2N)cc1 225446065 SIGYYCQEOFAPAM-UHFFFAOYSA-N 326.440 4.922 0 40 EJAB CCc1cc(Br)cc(C)c1NC(=O)CCc1ccccc1 226097730 GZDFOLKBMAPGCN-UHFFFAOYSA-N 346.268 4.891 0 40 EJAB O=C1O[C@H](c2sc3ccccc3c2Cl)N/C1=C/c1cccs1 408731172 YFGKRIGKBCYZHR-KUCQQTCKSA-N 347.848 4.802 0 40 EJAB Cc1cc(CNC2CCSCC2)ccc1Oc1ccc(F)cc1 500885156 GJMYLERSYKDXGG-UHFFFAOYSA-N 331.456 4.912 0 40 EJAB CC(=O)c1cc(Br)c(C)c(C)c1OCc1ccccc1 526059784 CXHAKTFTVGWQPJ-UHFFFAOYSA-N 333.225 4.848 0 40 EJAB Cc1noc(C)c1/C=C(\CC(=O)O)c1nc2cc(Cl)ccc2s1 592987223 SDBZJJPZUNDSFD-BJMVGYQFSA-N 348.811 4.570 0 40 EJAB C(=C/c1ccccc1)\CNc1nc(-c2ccccn2)nc2sccc12 1642505346 DBRNJSIDTGZRSF-RMKNXTFCSA-N 344.443 4.879 0 40 EJAB Fc1ccc(-c2ccccc2Cl)c(I)c1 1857793387 RVUUNWOJQREAQJ-UHFFFAOYSA-N 332.543 4.751 0 40 EJAB CCOC(=O)c1cnc2c(C)cccc2c1Nc1ccc(C(C)=O)cc1 90680 INBPMTNLYMLYAC-UHFFFAOYSA-N 348.402 4.666 0 40 EJAB CCc1ccccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 282021 XILUPFKISHRLCE-LLVKDONJSA-N 338.234 4.962 0 40 EJAB Cc1ccc(Cn2c(-c3ccco3)nc3nc4ccccc4nc32)cc1 521391 ZHXAYKXTMXGZEU-UHFFFAOYSA-N 340.386 4.596 0 40 EJAB Clc1nc(Cl)nc(Nc2cc(Cl)c(Cl)cc2Cl)n1 2160540 MDTNHOUOHFTOIB-UHFFFAOYSA-N 344.416 4.882 0 40 EJAB O=C(Nc1cccc(C(F)(F)F)c1)N[C@@H]1CCCc2ccccc21 3226641 UNDFNXCBEMTFLN-MRXNPFEDSA-N 334.341 4.905 0 40 EJAB CCCC(=O)Nc1c(C(=O)Nc2ccc(C)cc2)oc2ccccc12 4162564 RHPWKGNLWOBTCD-UHFFFAOYSA-N 336.391 4.732 0 40 EJAB Cc1nc(C)c(-c2ccc(SCc3ccc(F)cc3)nn2)s1 4358305 WYZKNPNAXMQSEO-UHFFFAOYSA-N 331.441 4.648 0 40 EJAB CSc1cccc(C(=O)Nc2nc(-c3ccccc3)cs2)c1 4517486 ZUHUMABPNSPHNX-UHFFFAOYSA-N 326.446 4.784 0 40 EJAB CC(C)CC[C@H](CC(=O)Nc1nccs1)[C@@H]1CCOC(C)(C)C1 5246361 KAHPPHZFDIXLCC-HUUCEWRRSA-N 338.517 4.729 0 40 EJAB COc1ccc2[nH]c(-c3nnc(-c4ccc(F)cc4)s3)cc2c1 9196144 BVVWGMGJOMFECN-UHFFFAOYSA-N 325.368 4.501 0 40 EJAB CC(C)c1ccc(CCC(=O)NCCSC2CCCCC2)cc1 10339025 SQEKLCOFUGTEEG-UHFFFAOYSA-N 333.541 4.925 0 40 EJAB CCc1ccc(/C=C/C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc1 12628639 LSCNRTLDWHGEAB-AIGDTVQASA-N 345.446 4.502 0 40 EJAB Cc1ccc2cccc(NC(=O)COc3ccc(Cl)c(C)c3)c2n1 12650892 QVMAOILTSPBUON-UHFFFAOYSA-N 340.810 4.523 0 40 EJAB CCCCNC(=O)OC[C@]12CO[C@H](CCC)[C@H](C(C)=C[C@@H]1C)[C@H]2C 12655190 FGCOUMUUNRBVMZ-VAVNGKDRSA-N 337.504 4.546 0 40 EJAB CCN(C(=O)c1ccc(F)cc1)c1nc2cc(Cl)ccc2s1 12928328 ULDNSNLRVHFARU-UHFFFAOYSA-N 334.803 4.756 0 40 EJAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(-c3nccs3)cc2)cc1 12977350 JXURMYSKMUNPFV-CQSZACIVSA-N 338.432 4.525 0 40 EJAB CC1=C(C)[C@@H](c2c(C)[nH]c3ccccc23)N(CCc2ccccc2)C1=O 13957622 DNAOFSADNQUWNV-QFIPXVFZSA-N 344.458 4.939 0 40 EJAB Clc1ccc(-c2ccc(CNCc3cccnc3)o2)cc1Cl 17310119 FSPJHMHVYCLVPF-UHFFFAOYSA-N 333.218 4.938 0 40 EJAB Cc1nc2sc3c(c2c(-c2ccccc2)c1CC(=O)O)CCCC3 19413830 OXIZAGPZXHSPEO-UHFFFAOYSA-N 337.444 4.778 0 40 EJAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1cccc(C(F)(F)F)c1 20567777 OAIGBWVYOQQVLY-OAHLLOKOSA-N 337.341 4.810 0 40 EJAB O=C(Nc1ccc(-n2cccn2)cc1)Nc1ccc2ccccc2c1 27917623 MPRDHEIZGDHKGH-UHFFFAOYSA-N 328.375 4.670 0 40 EJAB O=C(Nc1ccc(Cl)cc1)c1ccc(OCc2cccnc2)cc1 32034762 GVAHGNDZQGEDTK-UHFFFAOYSA-N 338.794 4.566 0 40 EJAB Cc1nc(CSCCC(=O)N[C@H](c2ccccc2)C(C)C)cs1 32613289 VILSFNLHHDDDMR-SFHVURJKSA-N 348.537 4.588 0 40 EJAB CC[C@H](NC(=O)[C@@H](C)Oc1ccccc1C(C)C)c1ccccc1 44847464 LJHFBRMGRGJOND-APWZRJJASA-N 325.452 4.845 0 40 EJAB Cc1c(-c2nc3cc(Cl)cc(Cl)c3o2)cccc1-n1cnnc1 45920682 HABJYPQSRNYYHM-UHFFFAOYSA-N 345.189 4.691 0 40 EJAB c1csc(-c2nnc(CSC3=Nc4ccccc4CS3)o2)c1 52463365 NDYORGKHUFHKPE-UHFFFAOYSA-N 345.474 4.966 0 40 EJAB CCn1cc(Nc2nc(C)nc3scc(-c4ccccc4)c23)cn1 71816912 DPZMBJPBPWGFHY-UHFFFAOYSA-N 335.436 4.627 0 40 EJAB COc1ccc2c(c1)CCC[C@H]2CC(=O)N1CCC[C@@H]1C1CCCC1 71823944 ATEFWHOCVBTOLP-GHTZIAJQSA-N 341.495 4.686 0 40 EJAB CCc1ccc([C@@H](C)NC(=O)[C@H](CC)Oc2ccccc2Cl)cc1 78458495 JCIIKYMFLHWWNH-KDOFPFPSSA-N 345.870 4.937 0 40 EJAB Cc1ccc(C(=O)c2ccc(F)c(Cl)c2)cc1Br 95916172 CJZPBISKGFRDPA-UHFFFAOYSA-N 327.580 4.781 0 40 EJAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1c(Cl)cccc1Cl)CC2=O 100745759 SIJRAWONRGAXTG-IRXDYDNUSA-N 340.250 4.717 0 40 EJAB C[C@]12CO[C@]3(C(=O)Nc4c(Cl)cccc4Cl)C[C@H]1CC[C@@]23C 100983380 MCHMORSMZAVMGJ-GEMNNEOKSA-N 340.250 4.527 0 40 EJAB Cc1cc(Cl)c2[nH]c(-c3ccc(Br)c(N)c3)nc2c1 216918608 KNYMVSDVTHAKBQ-UHFFFAOYSA-N 336.620 4.536 0 40 EJAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1ccc(OC(C)C)cc1 222959154 JEVTUZWPOVRROX-LJQANCHMSA-N 341.451 4.887 0 40 EJAB COc1ccc(CCC(=O)Nc2cccc(C(F)(F)F)c2)cc1C 223116628 WBYPQVQATLRZSX-UHFFFAOYSA-N 337.341 4.594 0 40 EJAB Cc1cc(N)ccc1NC(=O)c1ccc(-c2ccc(F)c(Cl)c2)o1 227144748 HXEZNQPTDFHYSU-UHFFFAOYSA-N 344.773 4.882 0 40 EJAB Cc1ccnc(N(Cc2ccccc2Cl)C(=O)OC(C)(C)C)c1 228953980 CLFVBNVCTVGHCI-UHFFFAOYSA-N 332.831 4.985 0 40 EJAB COc1ccc(Nc2nc(-c3c(C)nc4ccccn34)cs2)cc1 3229 ODGUIBUWNYBUFX-UHFFFAOYSA-N 336.420 4.518 0 40 EJAB CCCSc1ncnc2c1sc1nc(C)c3c(c12)CCCC3 1813396 WLGGCAAIOYSBMD-UHFFFAOYSA-N 329.494 4.929 0 40 EJAB CCOc1ccc(N[C@H](c2ccccc2)P(=O)(OC)OC)cc1 2300527 WDOZYHBHNBHCQY-KRWDZBQOSA-N 335.340 4.682 0 40 EJAB CCCCC(=O)Nc1nn(CC(C)C)c2nc3cc(C)ccc3cc12 2593413 OPYACMIDRBCBPK-UHFFFAOYSA-N 338.455 4.678 0 40 EJAB O=C(NC1CCCCC1)c1ccc(-c2nc3ccccc3s2)o1 3330853 MNLGQXHHVZEKMH-UHFFFAOYSA-N 326.421 4.619 0 40 EJAB COc1ccccc1Nc1nnc(SCc2ccccc2F)s1 3494554 NXCPMICTKMDTJB-UHFFFAOYSA-N 347.440 4.722 0 40 EJAB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)CSc1nc2ccccc2[nH]1 3833243 BCPPWLRDMJKZJD-JJRVBVJISA-N 346.496 4.659 0 40 EJAB CC[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(F)cc2)N3)C1 4545465 HBDHUZYIASECNZ-MGPLVRAMSA-N 330.428 4.831 0 40 EJAB CC[C@@H](C)Oc1ccc(OCCSc2nc3ccccc3[nH]2)cc1 5399647 DRMFFRTYKMCYRX-CQSZACIVSA-N 342.464 4.911 0 40 EJAB CCCCN(CCCC)S(=O)(=O)c1ccc(C)c2ccccc12 12291201 LCSVGLLPPBBFSE-UHFFFAOYSA-N 333.497 4.739 0 40 EJAB CS(=O)(=O)c1ccc(-c2csc(-c3ccc(Cl)cc3)n2)cc1 12953070 DEEIIIYCCCKJHZ-UHFFFAOYSA-N 349.864 4.534 0 40 EJAB CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cccs2)N3)C1 17085842 ILUKGCHBTXYZLP-MEBBXXQBSA-N 346.521 4.815 0 40 EJAB CC[C@H](Oc1cccc(C)c1)C(=O)N[C@H](C)c1ccc(C)cc1C 20452761 SYWZCQRUOLSTNQ-XLIONFOSSA-N 325.452 4.647 0 40 EJAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccccc1Cl)c1ccccc1 22528317 PQBBLFZSEPYCBJ-DLBZAZTESA-N 331.843 4.765 0 40 EJAB C[C@H]1CCN(C(=O)c2cccc3ncccc23)c2ccccc2S1 23200045 BOZOZWPSSYVURT-AWEZNQCLSA-N 334.444 4.766 0 40 EJAB O=C(Nc1ccccc1C(F)(F)F)Nc1cccc2ncccc12 27926168 VJWHVSFYACJDKB-UHFFFAOYSA-N 331.297 4.898 0 40 EJAB O=C(CCCc1ncc(-c2ccccc2)o1)NC1CCCCCCC1 31675077 SQSKADBBKKFOGE-UHFFFAOYSA-N 340.467 4.893 0 40 EJAB Cc1cccc(-n2ccnc2SCc2nc3ccccc3[nH]2)c1C 32865515 KSBONYZVTLYDMD-UHFFFAOYSA-N 334.448 4.658 0 40 EJAB COc1ccc(OC)c(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)c1 59477519 KUGXSYYHSFVYQD-JLHYYAGUSA-N 349.386 4.616 0 40 EJAB Cc1ccsc1[C@@H](C)N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 95420393 KOVGTQYCOJCTMY-UONOGXRCSA-N 343.496 4.752 0 40 EJAB CCOP(=O)(CCCCCCCCCCC(=O)OC)OCC 96639845 PZNDLHUFLXDLED-UHFFFAOYSA-N 336.409 4.936 0 40 EJAB C[C@@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(SC(F)F)nnc1-c1ccco1 103941863 GMWJMRKOXMIECE-BJDJZHNGSA-N 339.411 4.850 0 40 EJAB Cc1ccc(C)c(O[C@H](C)C(=O)N[C@H](C)c2cc(C)ccc2C)c1 113945956 UDQOPOUTJFJBCC-QZTJIDSGSA-N 325.452 4.565 0 40 EJAB Cc1cccc(CN2C(=O)S/C(=C/c3ccc(Cl)cc3)C2=O)c1 214622809 JTDUCWNSHOUSKK-MHWRWJLKSA-N 343.835 4.885 0 40 EJAB CC[C@@H](NC(=O)COc1ccc(C)cc1)c1ccc2c(c1)CCCC2 223125858 YSWBDYPCWHCGEQ-OAQYLSRUSA-N 337.463 4.520 0 40 EJAB C[C@@H]1CCCN(Cc2ccc(C(=O)NC(C)(C)CC(C)(C)C)cc2)C1 224332889 QIQCSEPHUUNZCK-QGZVFWFLSA-N 344.543 4.863 0 40 EJAB Cc1cccnc1NC(=S)N[C@H](C)c1ccc(C(C)(C)C)cc1 225408718 RPNXSOGXAFPDCP-CQSZACIVSA-N 327.497 4.735 0 40 EJAB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC)c2ncccc12 225897035 VRENOIXYCQLVLL-HXUWFJFHSA-N 344.455 4.557 0 40 EJAB Cc1ccccc1C(=O)Nc1ccc(C)c(-c2ccc(C(=O)O)o2)c1 226355887 OXFNVLCDQPQBDO-UHFFFAOYSA-N 335.359 4.514 0 40 EJAB C[C@@]1(Cc2ccccc2)CCCN1Cc1ccc2oc(C(=O)O)cc2c1 563631826 SNXVMVVZKILJKH-QFIPXVFZSA-N 349.430 4.728 0 40 EJAB CCSc1nc2ccc(NC(=O)c3cccc(C)c3)cc2s1 531026 LCNJTDALBFWTTC-UHFFFAOYSA-N 328.462 4.969 0 40 EJAB O=C(Nc1nc2c(s1)CCc1ccccc1-2)c1ccc(Cl)s1 567914 DGGIZUIMIPKZLY-UHFFFAOYSA-N 346.864 4.876 0 40 EJAB CC(C)Cc1ccc(-c2cc(C(=O)NC3CC3)c3ccccc3n2)cc1 1456711 VZFWLGSFEJQHRL-UHFFFAOYSA-N 344.458 4.993 0 40 EJAB CCCOC(=O)c1ccc(NC(=O)/C=C/c2cccc(Cl)c2)cc1 1952287 HMHXRQMTPKDYRL-IZZDOVSWSA-N 343.810 4.559 0 40 EJAB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3CC[C@@H]2C1 2562709 FDCINQSOYQUNKB-PQCYQFCNSA-N 332.484 4.530 0 40 EJAB CSc1nnc(-c2cc(-c3ccc(C)cc3)nc3ccccc23)o1 3357699 HHRCDLOQSJBZDD-UHFFFAOYSA-N 333.416 4.982 0 40 EJAB Fc1ccc2c(c1)C(c1ccccc1)=NNC(c1ccc(Cl)cc1)=N2 4129701 XFEAHBAPQDTGSL-UHFFFAOYSA-N 349.796 4.913 0 40 EJAB O=C(Nc1cc(F)ccc1F)c1ccccc1OCc1ccccc1 4932976 FXPWATPOMHXSIF-UHFFFAOYSA-N 339.341 4.796 0 40 EJAB Fc1ccc(COc2cccc(C(=S)N3CCCCC3)c2)cc1 5860552 UMUMWAWNELBFAU-UHFFFAOYSA-N 329.440 4.566 0 40 EJAB CCn1c(S)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 6497149 DCJXKVOVXLZDTP-UHFFFAOYSA-N 346.459 4.777 0 40 EJAB C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)o1)C(=O)c1ccccc1 6652370 QJNJJRNSFPSYFS-LLVKDONJSA-N 344.823 4.754 0 40 EJAB CC[C@H](C)c1ccc(OCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 7079939 ISSHDCLNPHRVSJ-BZSISCHUSA-N 341.495 4.664 0 40 EJAB COc1ccc([C@H]2CCCCCN2C(=O)c2cc3ccccc3[nH]2)cc1 8394524 HEYWRJRMTPYWBZ-OAQYLSRUSA-N 348.446 4.934 0 40 EJAB CCC1=Nc2ccccc2N=C(NC(=O)C2CC2)[C@H]1c1ccccc1 9183887 YXSYGAJQAYAFLT-IBGZPJMESA-N 331.419 4.523 0 40 EJAB O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)c1ccsc1 12922918 DQJMAOUFUCDTIB-UHFFFAOYSA-N 334.853 4.701 0 40 EJAB CCc1cccc(NC(=O)c2cc(-c3ccco3)nc3onc(C)c23)c1 12924731 MMFUPENPYQHXAP-UHFFFAOYSA-N 347.374 4.606 0 40 EJAB Cc1ccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)c(C)c1 13948784 XEUGQYPFTNMFSC-UHFFFAOYSA-N 337.444 4.771 0 40 EJAB Cc1nc2ccccc2nc1-c1nnc(-c2ccc(Cl)cc2)s1 16265692 FNMNVRLUDXMEQE-UHFFFAOYSA-N 338.823 4.777 0 40 EJAB COc1ccc(C)cc1CN(C)C(=O)c1cccc(Cl)c1Cl 21938685 OUKSMBGKCKBZSA-UHFFFAOYSA-N 338.234 4.583 0 40 EJAB O=C(Nc1ccc(F)cc1)c1cccnc1Nc1cccc(Cl)c1 22053932 YHYZQFIKUNYDCK-UHFFFAOYSA-N 341.773 4.870 0 40 EJAB CC(C)c1ccc(OCc2ccc(C(=O)N3CCC[C@@H](C)C3)o2)cc1 28576363 IYRLIPJJIXQWOI-MRXNPFEDSA-N 341.451 4.854 0 40 EJAB CCSc1ccccc1NC(=O)[C@@H](C)Sc1ccc(OC)cc1 30859146 CIGAEUDNPFCWRV-CYBMUJFWSA-N 347.505 4.927 0 40 EJAB CN(C(=O)CSCc1c(F)cccc1Cl)C1CCCCC1 30863825 GEDGANZLMVUHCG-UHFFFAOYSA-N 329.868 4.503 0 40 EJAB O=C(N(Cc1ccc2cc[nH]c2c1)C1CC1)C12CC3CC(CC(C3)C1)C2 32104888 RUMSWFLRLLNHPB-UHFFFAOYSA-N 348.490 4.875 0 40 EJAB O=C(c1cc2ccccc2o1)N(Cc1cccc2[nH]ccc12)C1CC1 32106599 OUCSPTMPBWBIAZ-UHFFFAOYSA-N 330.387 4.719 0 40 EJAB Cc1ccc2nc(C)c(C(=O)Nc3ccc(F)cc3Cl)cc2c1 32854536 QUEJTWNSOOLXDG-UHFFFAOYSA-N 328.774 4.896 0 40 EJAB Cc1cc(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)c(C)o1 32904160 WOKDOBNMSGFKIR-UHFFFAOYSA-N 349.390 4.793 0 40 EJAB Cc1ccc(C)c(/C=C2\CCn3c2nc2sc(C)c(C)c2c3=O)c1 33530450 UZANXAQJXLRNDC-XNTDXEJSSA-N 336.460 4.636 0 40 EJAB Cn1ccnc1COc1ccc(/C=C/c2ccc3ccccc3n2)cc1 40139498 ZFKBNTVYDSOXQM-UXBLZVDNSA-N 341.414 4.718 0 40 EJAB Cc1ccccc1Cn1cnc2c(-c3ccccc3C)csc2c1=O 44166719 ZKJGUNQCMBZJQA-UHFFFAOYSA-N 346.455 4.790 0 40 EJAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCCCc1ccc(C)cc1 44949235 AGTQYFREJSGZJG-FQEVSTJZSA-N 339.479 4.518 0 40 EJAB COc1ccc(-c2nc(CN3CCC[C@@H]3c3ccsc3)co2)cc1 46089115 JEWBZYFFYYFPKP-GOSISDBHSA-N 340.448 4.749 0 40 EJAB Cc1nn(C)c(C)c1[C@H](C)C(=O)Nc1ccc(Nc2ccccc2)cc1 58415550 WDQDDEVDUIURNA-AWEZNQCLSA-N 348.450 4.523 0 40 EJAB CSCc1nnc(S[C@H](C)c2ccc(C(F)(F)F)cc2)o1 69531203 KEWFXGJWFIOWGG-MRVPVSSYSA-N 334.388 4.805 0 40 EJAB Cn1ccc(CSC(c2ccc(F)cc2)c2ccc(F)cc2)n1 95983443 DYEDHYJPAHBXSA-UHFFFAOYSA-N 330.403 4.721 0 40 EJAB Cc1ccc(NC(=O)COc2ccc3c(c2)CCCC3)cc1Cl 96586365 REYBKJVDMIGXAH-UHFFFAOYSA-N 329.827 4.545 0 40 EJAB COc1ccc([C@@H](C)NC(=O)/C(=C/c2ccco2)c2ccccc2)cc1 216354571 RRNKLTMYSBFXEH-GXPOEHQZSA-N 347.414 4.706 0 40 EJAB CC[C@@H](NCC(C)C)c1ccc(OCc2ccccc2)c(OC)c1 222637156 ZWOFDTZYXKXWOB-LJQANCHMSA-N 327.468 4.971 0 40 EJAB Cc1ccc(Cl)cc1C[C@@H](Oc1ccccc1C(C)C)C(=O)O 225077457 TWJLQYDICVJRMK-GOSISDBHSA-N 332.827 4.847 0 40 EJAB CC(C)n1c(=O)sc2cc(NC(=O)c3ccccc3Cl)ccc21 225129521 MDDYWDORWJTABM-UHFFFAOYSA-N 346.839 4.550 0 40 EJAB Cc1ccc(SCCCNC(=S)Nc2ccccc2F)cc1 225587158 JJDUKXZGADLHJC-UHFFFAOYSA-N 334.485 4.603 0 40 EJAB CCCO[C@@](C)(C(=O)Nc1cc(C)c(OCC(C)C)c(C)c1)C1CC1 225674398 CTGYNJQIJACKEA-OAQYLSRUSA-N 347.499 4.872 0 40 EJAB C[C@@H](Cc1cc2ccccc2o1)NC(=O)NCc1ccc(Cl)cc1 244986224 JLGNAPSBQWLXGJ-ZDUSSCGKSA-N 342.826 4.517 0 40 EJAB CSc1ccccc1C(=O)N1CCC(Cc2ccccc2)CC1 301202440 YMAKOXZGEWTHAA-UHFFFAOYSA-N 325.477 4.503 0 40 EJAB O=C(CSCc1c(F)cccc1Cl)NC1CCCCCCC1 408577344 ZLNRZSDZSIPPTO-UHFFFAOYSA-N 343.895 4.941 0 40 EJAB Cc1cc(C)cc(CSCC(=O)Nc2ccc(F)c(Cl)c2)c1 409024257 IQWFSNDJAUWIHD-UHFFFAOYSA-N 337.847 4.968 0 40 EJAB CC1CCN(Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1 1615575003 ZEVILULVNJXHGP-UHFFFAOYSA-N 331.463 4.771 0 40 EJAB c1ccc(-c2nc(NCC[C@@H]3CCCCO3)c3ccccc3n2)cc1 1655311623 XZVDWTALXVCSBS-KRWDZBQOSA-N 333.435 4.668 0 40 EJAB CC1CCN(C(=O)c2ccc(COc3ccc4ccccc4c3)o2)CC1 115436 XWZLEDJDMVPQKE-UHFFFAOYSA-N 349.430 4.884 0 40 EJAB COc1ccc(-c2nnc(OCc3ccccc3)c3ccccc23)cc1 503361 YQSPRFLNKVCSBN-UHFFFAOYSA-N 342.398 4.884 0 40 EJAB Cc1ccc(-c2nc3ccccc3c(=O)n2-c2ccc(C)cc2)cc1 509601 RTFPXCSAGDAMFB-UHFFFAOYSA-N 326.399 4.670 0 40 EJAB Cc1cccc(NC(=O)Cn2cc(C(=O)C(C)C)c3ccccc32)c1C 560762 JTFJAAUTQXDAPL-UHFFFAOYSA-N 348.446 4.736 0 40 EJAB O=C(c1ccccc1)P(C(=O)c1ccccc1)C(=O)c1ccccc1 1604259 QPOQTJOABNUBNH-UHFFFAOYSA-N 346.322 4.990 0 40 EJAB O=C(N1CCC(CCCc2ccccc2)CC1)C(Cl)(Cl)Cl 1738848 CKAXJGZXZNNTGG-UHFFFAOYSA-N 348.701 4.618 0 40 EJAB Cc1cc(C)c(NC(=O)CSc2nc3ccccc3o2)c(Cl)c1 3523441 RSZFVRHFRFSDNC-UHFFFAOYSA-N 346.839 4.829 0 40 EJAB CCc1cccc(CC)c1NC(=O)CSc1nc2ccccc2o1 3618904 DGZLROWOAFENTK-UHFFFAOYSA-N 340.448 4.683 0 40 EJAB O=C(Nc1c(-c2ccccc2)nc2ccccn12)c1c(F)cccc1F 3906478 CRGTWLUQGXXSAG-UHFFFAOYSA-N 349.340 4.532 0 40 EJAB CCc1ccc(C(=O)CSc2nnc(-c3ccccc3C)o2)cc1 4927040 ONEGTHXKLHMIPD-UHFFFAOYSA-N 338.432 4.582 0 40 EJAB O=C(Cc1ccsc1)Nc1nc(-c2ccc(Cl)cc2)cs1 6258374 YCVTVFKWVDOZNU-UHFFFAOYSA-N 334.853 4.706 0 40 EJAB Cc1nc(-c2cccc(NC(=S)NC3CCCCC3)c2)cs1 7101722 BSLJPUQGOPMYOB-UHFFFAOYSA-N 331.510 4.738 0 40 EJAB O=C(NCCc1c[nH]c2ccccc12)c1ccc(-c2ccc(F)cc2)o1 8071229 GOCZGKCAQSHOJK-UHFFFAOYSA-N 348.377 4.540 0 40 EJAB COc1c(Cl)cc(Cl)cc1CNC1C2CC3CC(C2)CC1C3 8469561 XMSCLDKWICYMAQ-UHFFFAOYSA-N 340.294 4.916 0 40 EJAB CCOc1ccc(-c2nnc(Nc3ccc(Cl)cc3)[nH]2)cc1Cl 8903554 ZUWAKEQIRZQFSK-UHFFFAOYSA-N 349.221 4.921 0 40 EJAB CCCCCOc1ccc(C(=O)Nc2cc(C)nn2C(C)C)cc1 11695177 BMIMXCKEHAEXEO-UHFFFAOYSA-N 329.444 4.594 0 40 EJAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)c2ccccc12 12291234 NMQDYJWZZBLEJW-UHFFFAOYSA-N 331.824 4.602 0 40 EJAB C[C@H](N[C@H](c1ccccc1)C1CC1)C(=O)Nc1ccc(F)c(Cl)c1 12676797 YOIFKBVZIUEIIB-KPZWWZAWSA-N 346.833 4.547 0 40 EJAB CC1(C)[C@H]2CC[C@]1(C)[C@@H](NC(=O)Cc1cccc(C(F)(F)F)c1)C2 12910625 FFEBWNABOOCVNZ-DHSIGJKJSA-N 339.401 4.579 0 40 EJAB Cc1ccc(NC(=O)c2cc(C3CC3)nc3onc(C)c23)cc1Cl 12923268 QUZCBYFRRPLUHF-UHFFFAOYSA-N 341.798 4.623 0 40 EJAB C[C@H](NC(=O)CCc1c[nH]c2ccccc12)c1ccc(Cl)cc1 13004855 YFDMSILCBJNXEP-ZDUSSCGKSA-N 326.827 4.631 0 40 EJAB Cc1[nH]c2ccccc2c1C(=O)[C@H](c1ccccc1)N1CCCCC1 14163196 WPGVZYFVIIEJQI-NRFANRHFSA-N 332.447 4.886 0 40 EJAB CCOC(=O)c1ccc2nc(-c3ccc(F)cc3)cc(OCC)c2c1 15828886 PAPKGGNHSSEUGW-UHFFFAOYSA-N 339.366 4.616 0 40 EJAB Cc1ccc(Nc2ncc3c(n2)C[C@@H](c2ccc(F)cc2)CC3=O)cc1 18177444 CLSZSJFNMSPSQA-OAHLLOKOSA-N 347.393 4.580 0 40 EJAB CCOP(=O)(OCC)[C@@H](Nc1ccccn1)c1ccc(F)cc1 20828946 ORDVWOCVTJTWBC-MRXNPFEDSA-N 338.319 4.598 0 40 EJAB COc1ccc(C(=O)O)cc1COc1ccc(-c2ccccc2)cc1 24549561 IXRRWYFRPHLARK-UHFFFAOYSA-N 334.371 4.639 0 40 EJAB COc1ccccc1C(=O)CSc1nc(-c2ccccc2)cs1 26040066 PQXAJBZIRNKOSN-UHFFFAOYSA-N 341.457 4.794 0 40 EJAB COc1ccc(Nc2ncnc3sc(Nc4ccccc4)nc23)cc1 26897293 HELPSVPRYAMJCK-UHFFFAOYSA-N 349.419 4.582 0 40 EJAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(C(C)C)cc1 30871318 WSRCHEDXWRMPRW-IBGZPJMESA-N 327.424 4.615 0 40 EJAB O=C(OCc1csc(-c2ccco2)n1)C1(c2ccccc2)CCC1 37143127 IGUNGFRSSZANOH-UHFFFAOYSA-N 339.416 4.568 0 40 EJAB CC/C=C(/C)C(=O)N[C@H](C)c1ccc(OC2CCCC2)c(OC)c1 40121439 MIKHTUJTWJGNDD-CKNOQMABSA-N 331.456 4.550 0 40 EJAB O=C(Nc1cc(F)ccc1F)Nc1ccc(F)cc1Br 51354432 KWZGUWMLCSRNFN-UHFFFAOYSA-N 345.118 4.510 0 40 EJAB Cc1noc(C)c1N(Cc1ccc(F)cc1)Cc1ccc(F)cc1 58416310 IAVXOSOQDGYZAV-UHFFFAOYSA-N 328.362 4.776 0 40 EJAB c1csc(-c2cnc(CSc3nncc4ccccc34)o2)c1 67429271 SKKYRWGSVYUHCJ-UHFFFAOYSA-N 325.418 4.639 0 40 EJAB Cc1cc(N)c2oc(-c3cc(Br)ccc3Cl)nc2c1 70461435 MLJPVADRVWEWBJ-UHFFFAOYSA-N 337.604 4.801 0 40 EJAB CC(C)CNc1ccc([C@@H]2CCCCN2C(=O)c2ccccc2)cn1 72213350 RYSQMXBBAODDTL-IBGZPJMESA-N 337.467 4.517 0 40 EJAB CC(C)c1nccn1-c1cccc([C@H]2CCCN2Cc2ccccc2)n1 72379086 BTFRQMZLMLUPSI-HXUWFJFHSA-N 346.478 4.728 0 40 EJAB Cc1nc(SCc2nc(-c3cccs3)no2)n(CC(C)C)c1C 84051879 KRHGCMOFDNFCNJ-UHFFFAOYSA-N 348.497 4.560 0 40 EJAB CC(C)c1ccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1 222558122 SWAVXGWNCSWPMS-ZOCIIQOWSA-N 337.492 4.794 0 40 EJAB CC[C@H](Oc1ccc(C)cc1C)C(=O)NCc1ccc2ccccc2c1 222816016 HPUNBWQDJRLQTO-NRFANRHFSA-N 347.458 4.930 0 40 EJAB Cc1cccc(CCCNC(=S)Nc2cccc(OC(C)C)c2)c1 225393509 FVVSFNCEIRSPNK-UHFFFAOYSA-N 342.508 4.701 0 40 EJAB O=C(NCc1cccnc1-c1ccsc1)c1ccc(F)cc1Cl 225644936 ZJWKDDCQAGCEMI-UHFFFAOYSA-N 346.814 4.533 0 40 EJAB Cc1nc(-c2cccc(NC(=O)c3ccc4cccnc4c3)c2)oc1C 1517193791 TUCOUAHSAYBBLG-UHFFFAOYSA-N 343.386 4.759 0 40 EJAB Cc1ccccc1C(=O)Nc1cccc(-c2cn3ccsc3n2)c1 577616 DNSKJWPGHYLBGW-UHFFFAOYSA-N 333.416 4.624 0 40 EJAB O=C(COC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 1312079 UNVONBMQKKZECJ-UHFFFAOYSA-N 343.593 4.687 0 40 EJAB COC(=O)Nc1sccc1OCc1cccc(C(F)(F)F)c1 1396552 LOZGNLPQNJMONY-UHFFFAOYSA-N 331.315 4.524 0 40 EJAB O=C(c1ccc(CN2CCCCC2)cc1)c1ccc(Cl)c(F)c1 2514517 MUAZJIUMBOIQAQ-UHFFFAOYSA-N 331.818 4.696 0 40 EJAB CCOC(=O)N[C@H](c1ccc(C(C)C)cc1)C(Cl)(Cl)Cl 3220801 SAKQJXCZZBGWHS-GFCCVEGCSA-N 338.662 4.967 0 40 EJAB O=C(OCc1csc(-c2ccccc2)n1)c1ccc(Cl)cc1 3223747 PILIPGVPKXVQNY-UHFFFAOYSA-N 329.808 4.821 0 40 EJAB COc1ccccc1/C=C/[C@]12N=C(O)CCN1c1ccccc1C2(C)C 3999926 TWFCISJXYNAPMT-VKXNWWILSA-N 348.446 4.563 0 40 EJAB biogenic Cc1nnc(SCc2cccc(C(F)(F)F)c2)n1-c1ccccc1 4354885 XNCVGYIKWYXFSF-UHFFFAOYSA-N 349.381 4.887 0 40 EJAB COc1nc2ccccc2cc1-c1noc(-c2ccc(Cl)cc2)n1 4383825 BUISQFXXWDHESB-UHFFFAOYSA-N 337.766 4.614 0 40 EJAB Cc1cc(C(=O)CSc2ccc3ccccc3n2)c(C)n1C1CC1 5627510 NKPDIFSBGLDWQP-UHFFFAOYSA-N 336.460 4.963 0 40 EJAB CCn1c(SCC(=O)c2cc3ccccc3o2)nc2ccccc21 5902355 LOAUOXSIPYLWNI-UHFFFAOYSA-N 336.416 4.777 0 40 EJAB O=C(CSCc1c(F)cccc1Cl)Nc1ccc2c(c1)CCC2 5936636 IHAFVNXXOLJKHO-UHFFFAOYSA-N 349.858 4.840 0 40 EJAB Fc1ccc(OCc2ncc(-c3ccccc3)o2)c(Br)c1 7437901 VCRDTMROMPABEP-UHFFFAOYSA-N 348.171 4.822 0 40 EJAB CCc1ccc(-c2noc(CSc3nc4ccccc4o3)n2)cc1 8290210 ZFRPEEAJGBYWGK-UHFFFAOYSA-N 337.404 4.733 0 40 EJAB O=C(NCc1ccccc1)c1ccccc1C(=O)c1ccc(Cl)cc1 8691804 POYCCKXSFKBRLG-UHFFFAOYSA-N 349.817 4.501 0 40 EJAB CCOc1cccc(NC(=O)/C(=C/c2ccco2)c2ccccc2)c1 10294182 IHJVKJDUXQEJPI-HMMYKYKNSA-N 333.387 4.858 0 40 EJAB COc1ccc(C(=O)Nc2ccc(Oc3ccccc3OC)cc2)cc1 11516298 NICDYDKDQGOZKF-UHFFFAOYSA-N 349.386 4.748 0 40 EJAB Cc1sc2nc([C@H](C)Nc3cccc(C(C)C)c3)[nH]c(=O)c2c1C 12562275 PILWNJGOXLYWMA-LBPRGKRZSA-N 341.480 4.898 0 40 EJAB CCc1cc2c(SCc3cn4c(C)cccc4n3)ncnc2s1 12655174 GYZAGASOKYOIDX-UHFFFAOYSA-N 340.477 4.502 0 40 EJAB Fc1ccc(CNCc2cccc(OCc3ccc(F)cc3)c2)cc1 16399584 TZUVMDMYXTZMMA-UHFFFAOYSA-N 339.385 4.834 0 40 EJAB CC[C@@H](NC(=O)[C@@H](C)Oc1cccc(Cl)c1)c1ccc(C)cc1 20489013 WADOBBFMFNBBNW-RDTXWAMCSA-N 331.843 4.683 0 40 EJAB Cc1cc(Br)ccc1-c1ccc(CNCc2ccco2)o1 20875977 OTKOXHNDLMDPTC-UHFFFAOYSA-N 346.224 4.900 0 40 EJAB Cc1sc(NC(=O)C(C)(C)C)nc1-c1ccc(OC(F)F)cc1 21126511 GAPJUEDCTYACBZ-UHFFFAOYSA-N 340.395 4.705 0 40 EJAB Cc1cc(C)cc(CSCC(=O)N[C@@H](C)c2ccc(F)cc2)c1 24073709 WRVANYBZJUHTAJ-HNNXBMFYSA-N 331.456 4.553 0 40 EJAB CCc1nc(COc2ccccc2C(=O)Nc2ccccc2)cs1 31679172 KNPOBHAHJJDSQW-UHFFFAOYSA-N 338.432 4.537 0 40 EJAB CCOc1ccc(NC(=O)CSc2cccc3ccccc23)cc1 32692032 WVBISFWHPFDDPR-UHFFFAOYSA-N 337.444 4.969 0 40 EJAB CCc1cc2cc(C)ccc2nc1SCC(=O)Nc1ccccc1 35311591 VXQSFOXHMKAMDP-UHFFFAOYSA-N 336.460 4.836 0 40 EJAB CCOc1ccc(Nc2c(-c3ccc(O)cc3)nc3ccccn23)cc1 35616505 ZLKQWSFNRCIKEA-UHFFFAOYSA-N 345.402 4.849 0 40 EJAB CC(C)C[C@@H](NC(=O)c1nc(Cl)ccc1Cl)c1cccs1 48324712 QEFFZWDUXDBTSZ-LLVKDONJSA-N 343.279 4.967 0 40 EJAB OC1=Nc2c(cnn2Cc2ccccc2)[C@H](c2cccc(Cl)c2)C1 49544986 ICCGWYLXFYDCRA-INIZCTEOSA-N 337.810 4.708 0 40 EJAB C[C@@H](Sc1nccn1C)c1cccc(NC(=O)c2ccccc2)c1 53352550 UELFDLHUNFPYDT-CQSZACIVSA-N 337.448 4.526 0 40 EJAB Oc1ccccc1C1=N[C@H](c2ccccc2)N[C@H](c2ccccc2)C1 61868519 UJROPHQMKHBBEJ-SIKLNZKXSA-N 328.415 4.615 0 40 EJAB C[C@H]1CCCC[C@@H]1OCc1nc2ccc(-c3ccccc3)cc2c(=O)[nH]1 72051951 JGVIGPQZUQUVSB-YWZLYKJASA-N 348.446 4.685 0 40 EJAB CC(C)(C)OC(=O)N1CCC[C@@H]1c1cccnc1Nc1ccccc1 72214135 RNFNCEZSJNSVGL-QGZVFWFLSA-N 339.439 4.897 0 40 EJAB CC(=O)c1ccc(NCc2cc(-c3ccc(Cl)cc3)no2)cc1 78722889 WUFBZHDBLWTZCU-UHFFFAOYSA-N 326.783 4.810 0 40 EJAB CCO[C@@H](C)c1nc(CNc2c(F)cccc2N2CCCC2)cs1 86207636 AIJHMWNKSXNIMY-ZDUSSCGKSA-N 349.475 4.592 0 40 EJAB CC(C)OCCCN1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 95961356 HHMZRZFLBGNWBL-SFHVURJKSA-N 343.515 4.612 0 40 EJAB COc1ccccc1Oc1ccc(NC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)cc1 102201663 ROYNSBKIIZUTTG-MPGHIAIKSA-N 335.403 4.638 0 40 EJAB Cc1nc(C2=C(O)CN(c3ccccc3C(C)C)C2=N)sc1C 102422209 PQVJGLTWJAPEGS-UHFFFAOYSA-N 327.453 4.650 0 40 EJAB COc1ccc([C@@H]2CCCCN(C(=O)/C=C/c3ccccc3)C2)cc1 208003438 MDYYPEMNGFDLAX-XMUSRXTASA-N 335.447 4.505 0 40 EJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1cccc(COC)c1 224461531 MSNCUWPFQDWXMN-OAQYLSRUSA-N 349.430 4.782 0 40 EJAB Cc1cc(C)cc(C[C@H](Oc2ccccc2C(C)(C)C)C(=O)O)c1 225036564 SXKNDBNDPRKURZ-IBGZPJMESA-N 326.436 4.676 0 40 EJAB CCOc1ccc(CCCNC(=S)Nc2cccc(Cl)c2)cc1 225621465 SYUPEGPWTBQZAG-UHFFFAOYSA-N 348.899 4.658 0 40 EJAB CCNc1cc(C)c2oc(-c3ccccc3Br)nc2c1 226283117 RGZMJWYEXZQNHE-UHFFFAOYSA-N 331.213 4.998 0 40 EJAB C[C@H](Cc1cc2ccccc2o1)NC(=O)C12CC3CC(CC(C3)C1)C2 253471906 GNPYZBQWXIAKNA-XSXQVXRUSA-N 337.463 4.696 0 40 EJAB C[C@H](Sc1ncnc2c1CCC2)c1ccc(OC(F)(F)F)cc1 590492432 FMLPWFAACRFVNC-JTQLQIEISA-N 340.370 4.717 0 40 EJAB c1ccc(-c2cc(CSc3nc4ncccc4s3)no2)cc1 1559452045 WHUYKMJPDAQJKC-UHFFFAOYSA-N 325.418 4.639 0 40 EJAB Cc1cccc2nc(-c3ccc(Cl)cc3)c(NC[C@H]3CCCO3)n12 417397 WGHJJQQBBMPQOW-MRXNPFEDSA-N 341.842 4.554 0 40 EJAB CCOc1ncnc2c1sc1nc(C(C)C)c3c(c12)CCCC3 507006 INNOFIIADXLCKD-UHFFFAOYSA-N 327.453 4.640 0 40 EJAB CC(C)CC[C@H](CCNCc1ccco1)c1ccc2c(c1)OCO2 2323732 UQAUOPVSUTUMKP-MRXNPFEDSA-N 329.440 4.708 0 40 EJAB CCOC(=O)c1c(NC(C)=O)sc(Cl)c1-c1ccc(C)cc1 3069124 WIMKFUQNDJPQCM-UHFFFAOYSA-N 337.828 4.512 0 40 EJAB CSCc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 3407241 SJNBXYUNZFLBLW-UHFFFAOYSA-N 325.355 4.821 0 40 EJAB CCN(CC)C[C@H](O)c1ccc(/C=C\c2ccc(Cl)cc2)cc1 4537488 COKMQJYIYARAML-PRPIBZDOSA-N 329.871 4.886 0 40 EJAB CCCCOc1ccc(C(=O)Nc2ccc(-n3ccc(C)n3)cc2)cc1 4698571 QGPMROOPULNVBH-UHFFFAOYSA-N 349.434 4.612 0 40 EJAB Cc1ccc(NC(=O)N2CCn3cccc3[C@H]2c2ccccc2F)cc1 4854273 FAPYISIJHMBQLX-HXUWFJFHSA-N 349.409 4.573 0 40 EJAB O=C(c1ccco1)N1N=C(c2ccco2)C[C@H]1c1ccc(Cl)cc1 5043635 YDJMCAHYHIFANO-HNNXBMFYSA-N 340.766 4.518 0 40 EJAB Cc1ccc(-c2csc(NC(=O)[C@H](C)Oc3ccccc3)n2)cc1 6341857 OWRWYFDHVXFHBU-AWEZNQCLSA-N 338.432 4.525 0 40 EJAB COc1ccc(C)c(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1 6503881 REOVRAWZJIGJIV-UHFFFAOYSA-N 325.195 4.954 0 40 EJAB O=C(Nc1nc2ccc(F)cc2s1)c1cc(Cl)ccc1Cl 6926758 CMITWIZEHZBJQU-UHFFFAOYSA-N 341.194 4.995 0 40 EJAB CC(C)c1nc2cc(C(F)(F)F)ccc2n(Cc2ccccc2)c1=O 8429009 HVQLQRFSWIXCGF-UHFFFAOYSA-N 346.352 4.587 0 40 EJAB CCS[C@H]1c2ccccc2C(=O)N1[C@H](C)CCc1ccccc1 9425636 DRHRJCGGYNUMQG-QRWLVFNGSA-N 325.477 4.915 0 40 EJAB CSc1cccc(NC(=O)c2csc(-c3ccsc3)n2)c1 13012661 WNFVJLDTWMFUJO-UHFFFAOYSA-N 332.475 4.846 0 40 EJAB Cc1nc2sccn2c1CNC1(c2ccc(Cl)cc2)CCC1 13999950 LNRQWNRHBMBJIC-UHFFFAOYSA-N 331.872 4.527 0 40 EJAB Cc1nn(CN(C)C(c2ccccc2)c2ccccc2)c(=S)s1 14241324 QYHASDSETTYFCT-UHFFFAOYSA-N 341.505 4.661 0 40 EJAB COc1ccc([C@@H]2CCCN2C(=O)c2ccc3c(c2)CCCC3)cc1 15574310 HNWDRPSTVKPNFG-NRFANRHFSA-N 335.447 4.551 0 40 EJAB O=C(NC(c1ccccc1)c1ccccc1)c1cc2ccccc2[nH]1 16636620 KAEPUFCPPSBPSM-UHFFFAOYSA-N 326.399 4.687 0 40 EJAB CC[C@@H](Oc1ccccc1[C@H](C)CC)C(=O)Nc1cccc(N)c1C 19736762 LZTSAPZVBGLMIR-AUUYWEPGSA-N 340.467 4.887 0 40 EJAB COc1ccc(-c2csc(NC(=O)c3ccc(C)o3)n2)cc1Cl 20017632 XITRJSCFGULEFB-UHFFFAOYSA-N 348.811 4.626 0 40 EJAB CC(C)CC(=O)Nc1ccc(-c2nc3ccccc3s2)c(O)c1 20158442 YAGHORCSZCGQJT-UHFFFAOYSA-N 326.421 4.654 0 40 EJAB Cc1ccc(C)c(CC(=O)NCCSCc2ccc(Cl)cc2)c1 22510164 YPMTYTNPNAVCEL-UHFFFAOYSA-N 347.911 4.549 0 40 EJAB COc1ccccc1C(=O)Nc1nc2c(s1)C[C@H](C(C)(C)C)CC2 27662825 VGFIXNVWAGYMSR-GFCCVEGCSA-N 344.480 4.555 0 40 EJAB CCCC[C@H](CC)CNC(=O)Nc1ccc(NC(C)=O)c(Cl)c1 40104415 RMQRXRICYAYZRS-ZDUSSCGKSA-N 339.867 4.636 0 40 EJAB Cc1cc(C)c(C)c(OCC(=O)Nc2cc(Cl)cc(Cl)c2)c1 40868544 ONICADZXTFVEPR-UHFFFAOYSA-N 338.234 4.936 0 40 EJAB NC(=O)c1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1Cl 41127225 XGAXWVXYUVLESC-UHFFFAOYSA-N 341.581 4.554 0 40 EJAB CCCC(=O)Nc1cccc(NC(=O)Cc2cccc(Cl)c2)c1C 67819572 ZKRCLCLOUDCPTP-UHFFFAOYSA-N 344.842 4.568 0 40 EJAB CN(Cc1ccc(-c2ccccc2)cc1)C(=O)c1cccc2[nH]ncc12 71843972 FQUJCFWXBQLFEZ-UHFFFAOYSA-N 341.414 4.502 0 40 EJAB COc1ccc(-c2cc(Cl)nc(-c3ccc(F)cc3)n2)cc1OC 78401212 OWSOQLUZDMHNSN-UHFFFAOYSA-N 344.773 4.620 0 40 EJAB Fc1cccc(CN[C@H](CSC(F)(F)F)Cc2ccccc2)c1 95918307 HEHCYPOTHQMNSV-INIZCTEOSA-N 343.389 4.780 0 40 EJAB CCc1ccc(/C=C2\SC(=O)N(Cc3cccc(C)c3)C2=O)cc1 106707460 KSHGKMZBODVXSX-PDGQHHTCSA-N 337.444 4.794 0 40 EJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCc1ccc2ccccc2c1 222796271 BWRLRRZOCANSGW-QFIPXVFZSA-N 347.458 4.930 0 40 EJAB CC[C@@H](C)NC(=O)c1ccc(OC)c(CSc2ccccc2)c1 224321093 KTTSOZGMEMQMCU-CQSZACIVSA-N 329.465 4.516 0 40 EJAB Cc1cccc(C2(NC(=S)Nc3cccc(F)c3)CCCC2)c1 225855012 JJMKCMJUDDGKCT-UHFFFAOYSA-N 328.456 4.890 0 40 EJAB Cc1cccc2nc(=S)n(-c3ccc(Br)cc3)c(O)c12 253498720 QNROSCJEZDJWSL-UHFFFAOYSA-N 347.237 4.532 0 40 EJAB CCN1C(=O)S/C(=C/c2ccc(-c3cc(Cl)ccc3C)o2)C1=O 409086834 HEJQFCNFGNPGMR-OQLLNIDSSA-N 347.823 4.965 0 40 EJAB Fc1ccccc1Oc1ccc(CSc2cccnn2)cc1F 511876646 BDLDCAYCAHRNHP-UHFFFAOYSA-N 330.359 4.839 0 40 EJAB Cc1ccc(NC(=O)c2cc3cc(Cl)cc(Cl)c3oc2=O)cc1 192834 NVTHFQCBDXOCQK-UHFFFAOYSA-N 348.185 4.661 0 40 EJAB Cc1ccccc1C(=O)Nc1c(-c2cccs2)nc2ccccn12 201383 XLTVCUDSILWHJY-UHFFFAOYSA-N 333.416 4.624 0 40 EJAB O=C(Nc1cccc2ccccc12)N1CCCC[C@H]1c1ccncc1 520551 OTNPKGYHPMECIM-FQEVSTJZSA-N 331.419 4.994 0 40 EJAB CN(C)[C@@H]1CCc2ccc3ccccc3c2[C@H]1OC(=O)c1ccccc1 1569705 KWZQTEDIPXRBIH-IRLDBZIGSA-N 345.442 4.614 0 40 EJAB O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1ccccc1F 3268888 QXODJKDIYOZQRE-FQEVSTJZSA-N 334.346 4.607 0 40 EJAB CC(C)(C)N(Cc1ccccc1)C(=O)COc1cccc(Cl)c1 3321663 ALZWWCWWYKSIMS-UHFFFAOYSA-N 331.843 4.546 0 40 EJAB Cc1c(Cl)cccc1NC(=O)c1c(F)c(F)c(F)c(F)c1F 6254575 PBDJNXHGSQTSFH-UHFFFAOYSA-N 335.659 4.596 0 40 EJAB CCCCC(=O)Nc1cccc(NC(=O)Cc2ccc(Cl)cc2)c1 6396894 VPHMTBKIXHAKCB-UHFFFAOYSA-N 344.842 4.650 0 40 EJAB CSc1nnc(-c2cc(-c3ccc(C)cc3)nc3ccccc23)n1C 6602171 QTNQPFVSZAHGQW-UHFFFAOYSA-N 346.459 4.728 0 40 EJAB CN(C)c1ccc(NC(=O)c2cccnc2Sc2ccccc2)cc1 6784525 DFQUMLAYIFMHLE-UHFFFAOYSA-N 349.459 4.551 0 40 EJAB Cc1ccc(CN2C(=O)c3ccccc3N[C@@H]2c2cc(C)[nH]c2C)cc1 7087967 OHZQLFLBTDVESQ-NRFANRHFSA-N 345.446 4.707 0 40 EJAB Brc1cccc([C@@H]2Nc3ccccc3[C@@H]3OCC[C@H]23)c1 7098251 SGXKQLLLEVEFFR-PVAVHDDUSA-N 330.225 4.694 0 40 EJAB CCCCCNCc1cc(Br)c(OCC)c(OCC)c1 7261226 BVLPTTXQAAPDLT-UHFFFAOYSA-N 344.293 4.526 0 40 EJAB c1ccc(-c2nnc(Sc3ncnc4c3oc3ccccc34)o2)cc1 7780249 KCOLPHVIOCTRSS-UHFFFAOYSA-N 346.371 4.577 0 40 EJAB CCCN1C(=O)c2ccccc2N[C@H]1c1ccccc1C(F)(F)F 7886455 LIBKHTXVLKJIKI-MRXNPFEDSA-N 334.341 4.682 0 40 EJAB O=C(Nc1ccccc1-c1ccccc1)c1cncn1-c1ccccc1 8395236 ONONQOMRULIRKL-UHFFFAOYSA-N 339.398 4.792 0 40 EJAB O=C(Nc1ccccc1Cl)c1occc1COc1ccccc1 8735250 FEOKYNNTRQGBCM-UHFFFAOYSA-N 327.767 4.764 0 40 EJAB CCC1=Nc2ccccc2N=C(NC(=O)C2CC2)[C@H]1c1ccc(F)cc1 9095233 NSJUTFGFOHNRGV-IBGZPJMESA-N 349.409 4.662 0 40 EJAB CCOCc1c(C(=O)N2CCC[C@H]3CCCC[C@H]32)oc2ccccc12 9592021 RCTSMESYSJZFNP-CRAIPNDOSA-N 341.451 4.764 0 40 EJAB C[C@@H]1Cc2ccccc2N1C(=O)/C(=C/c1ccco1)c1ccccc1 10449664 SCGPGWKJRGWJIM-MURKYSCBSA-N 329.399 4.798 0 40 EJAB O=C(c1ccccc1F)N(Cc1ccc(Cl)cc1)c1ccccn1 11914478 ZQJNQURMLQTVGE-UHFFFAOYSA-N 340.785 4.721 0 40 EJAB Cc1ccc(-c2cc(C(=O)Nc3ccccc3Cl)no2)cc1F 11916865 BIFPMTRILBRBLH-UHFFFAOYSA-N 330.746 4.695 0 40 EJAB CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)C(C)(C)C 12067074 BHGFTRAIYUBMMM-UHFFFAOYSA-N 347.462 4.544 0 40 EJAB Cc1ccc(-c2nnc(SCc3nc4ccccc4[nH]3)o2)cc1C 12248478 VFKLNMXLZINSQF-UHFFFAOYSA-N 336.420 4.522 0 40 EJAB C[C@@H](NC(=O)c1cc(Br)ccc1Cl)c1cccs1 12784910 PKAQBHGRYNCJIG-MRVPVSSYSA-N 344.661 4.655 0 40 EJAB CCCn1c(NCc2cccc(Br)c2)nc2ccccc21 13361850 YTPSWNXGKQMDLM-UHFFFAOYSA-N 344.256 4.821 0 40 EJAB Cc1ccc2[nH]cc(CCNC(=O)c3ccc(Cl)c(Cl)c3)c2c1 13957959 IDUQASRJFSFTHH-UHFFFAOYSA-N 347.245 4.756 0 40 EJAB CC[C@@H](N)c1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1 19735040 LKCGBGGEGUNEKP-CQSZACIVSA-N 334.250 4.801 0 40 EJAB CC[C@H](NC(=O)/C=C/c1ccccc1Cl)c1ccc(OC)cc1 22531604 LGCMGGCHMNZHJA-HGZMWJMZSA-N 329.827 4.629 0 40 EJAB O=C(c1ccc(C2SCCCS2)cc1)N1CCc2ccccc21 22869747 ZQXYDMAUKWAHMZ-UHFFFAOYSA-N 341.501 4.758 0 40 EJAB CC(C)[C@H](NC(=O)c1ccc(Br)s1)c1ccccc1 32744935 ATDGLKCHWOHLTK-AWEZNQCLSA-N 338.270 4.638 0 40 EJAB CCc1sc(C(=O)Nc2cc(NC(=O)C3CC3)ccc2C)cc1C 36393063 YTYDZYRGTCBZLR-UHFFFAOYSA-N 342.464 4.528 0 40 EJAB O=C(NCC1(c2cccs2)CC1)C(c1ccccc1)c1ccccc1 38593030 ISVSNDFGAWOEKV-UHFFFAOYSA-N 347.483 4.728 0 40 EJAB C[C@H](NC(=O)c1[nH]c2ccccc2c1Cl)c1ccc(F)cc1F 40144955 XVUIOXQMHVZFBH-VIFPVBQESA-N 334.753 4.591 0 40 EJAB O=C(Nc1cc(F)ccc1F)c1cc(-c2cccc3ccccc23)[nH]n1 44838122 SXKRNWHWSKAXJS-UHFFFAOYSA-N 349.340 4.760 0 40 EJAB CC(C)Oc1ccc([C@@H]2CC(O)=Nc3c2cnn3C(C)(C)C)cc1 49546259 KXEPGXINPLSICV-HNNXBMFYSA-N 327.428 4.549 0 40 EJAB CC(C)c1ccc(CNC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1 57416165 VGYCBUPXDJOEFW-UHFFFAOYSA-N 326.827 4.875 0 40 EJAB C[C@H](c1ccccn1)N(C(=O)Cc1ccc2ccccc2c1)C1CC1 59325394 JDYSJMJXQIBIKH-MRXNPFEDSA-N 330.431 4.530 0 40 EJAB CN(C(=O)Cc1ccc(-n2cccc2)cc1)[C@@H]1CCCc2ccccc21 69370876 UUGWCRSHYOKQNU-JOCHJYFZSA-N 344.458 4.556 0 40 EJAB C[C@H](c1ccc2ccccc2c1)N(Cc1cccc(C(N)=O)c1)C1CC1 84651805 KKPYVDDNQMKFQP-MRXNPFEDSA-N 344.458 4.664 0 40 EJAB COc1ccc2c(-c3cccc(Br)c3N)c(O)ccc2c1 169800838 PFSAKUSRMVMVQP-UHFFFAOYSA-N 344.208 4.566 0 40 EJAB O=C(c1ccsc1)N1CCS[C@H](c2ccccc2Cl)CC1 206994475 AZYCIVWGAPAJMP-HNNXBMFYSA-N 337.897 4.722 0 40 EJAB C[C@@H](NC(=O)c1cc2cc3ccccc3nc2s1)c1ccccc1 223127237 XEYBHYMWIMXABH-CYBMUJFWSA-N 332.428 4.941 0 40 EJAB Cc1cc(C)c([C@@H](C)NC(=O)COc2cccc(Cl)c2)cc1C 223490029 SGJWKIHEAOQHAR-OAHLLOKOSA-N 331.843 4.521 0 40 EJAB Cc1cc(C)c(C[C@@H](Oc2ccccc2C(C)C)C(=O)O)c(C)c1 225136580 XNPGUPAUJRAYTA-HXUWFJFHSA-N 326.436 4.810 0 40 EJAB Cc1ccc(NC(=S)N[C@@H](C)COc2ccc(C)c(C)c2)c(C)c1 225788785 ZPFQLALELMBBDA-KRWDZBQOSA-N 342.508 4.674 0 40 EJAB Cc1cccc(NC(=O)C2[C@H]3CC[C@@H]4[C@@H](CC[C@@H]23)C4(Cl)Cl)c1 64024 ILZRVBWTTJKFOR-KJAHXBPPSA-N 338.278 4.790 0 40 EJAB O=C(Nc1nc2c(cc3c4c(cccc42)CC3)s1)c1cccc(F)c1 239966 XBBFURJYKKMGMK-UHFFFAOYSA-N 348.402 4.940 0 40 EJAB CCCn1c([C@@H]2CC(=O)N(c3ccc(CC)cc3)C2)nc2ccccc21 252015 BXCIBDJQGPYSQC-QGZVFWFLSA-N 347.462 4.529 0 40 EJAB Cc1nc(SCC(=O)c2ccc(F)cc2)c2c(C)c(C)sc2n1 414760 OIARDEFUQRYTHM-UHFFFAOYSA-N 346.452 4.731 0 40 EJAB CCCC[C@H](CC)C(=O)Nc1cc(C(=O)OCC)ccc1Cl 2069861 NGFHHWCULRGJRZ-LBPRGKRZSA-N 325.836 4.672 0 40 EJAB O=C(COC(=O)c1cccc2ccccc12)c1ccc(Cl)s1 3315498 PTGZDBUPWSBVJR-UHFFFAOYSA-N 330.792 4.594 0 40 EJAB Nc1cc(N)c(/C=C/c2ccccc2)c(N)c1/C=C/c1ccccc1 3844633 NYTACRUTGWIIQX-PHEQNACWSA-N 327.431 4.774 0 40 EJAB CCCn1c(SCCOc2ccccc2OC)nc2ccccc21 3902612 KYNREZLTQJXVLV-UHFFFAOYSA-N 342.464 4.626 0 40 EJAB Cc1ccc(C)c2sc(NC(=O)COc3ccc(Cl)cc3)nc12 4331073 RFCZJXXILQJYAB-UHFFFAOYSA-N 346.839 4.584 0 40 EJAB CC[C@H](Oc1ccccc1)C(=O)N[C@H](C)c1ccc2ccccc2c1 6852181 JNIZUJSBFOWAEK-IERDGZPVSA-N 333.431 4.875 0 40 EJAB Cc1ccc(C)c(NC(=O)[C@H](C)N(C)Cc2c(F)cccc2Cl)c1 8533953 SZVKIWLFHAZSQI-AWEZNQCLSA-N 348.849 4.555 0 40 EJAB CSc1ccccc1NC(=O)c1ncc(-c2ccc(Cl)cc2)o1 9322453 IQMBKCQKNBTCLP-UHFFFAOYSA-N 344.823 4.969 0 40 EJAB Cc1ccc(-c2cc(=O)c3cc(NC(=O)C(C)(C)C)ccc3o2)cc1 9659959 ULSHHKNHFJVFHE-UHFFFAOYSA-N 335.403 4.753 0 40 EJAB biogenic Clc1ccc(-c2noc(CN3CCC[C@H]3c3ccccc3)n2)cc1 10087862 NUJUGEZRFUPBAL-KRWDZBQOSA-N 339.826 4.727 0 40 EJAB O=C(Nc1ccc(F)cc1Cl)c1occc1COc1ccccc1 11376362 IPVRZYPMYOFWPY-UHFFFAOYSA-N 345.757 4.903 0 40 EJAB Cc1ccc(C)c(CC(=O)Nc2ccc(Br)c(C)c2)c1 20107884 PHEDLRVOJUAVHE-UHFFFAOYSA-N 332.241 4.556 0 40 EJAB CC1(C)CC(=O)c2nc(-c3ccccc3)n(Cc3ccccc3)c2C1 20674269 IMGQELLECLQXHS-UHFFFAOYSA-N 330.431 4.754 0 40 EJAB O=C(C[C@@H]1C=CCC1)N[C@@H](c1ccccc1)c1cc2ccccc2o1 24709372 FAIYFVMRIUTUHO-ZHRRBRCNSA-N 331.415 4.995 0 40 EJAB C[C@H]1CCCN(Cc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)C1 38833904 DPVFELTWCQXKCW-HNNXBMFYSA-N 342.870 4.824 0 40 EJAB CC(C)[C@H](NC(=O)Nc1ccc(F)c(F)c1F)c1cccs1 40023996 JAAMATCEJZNSHM-AWEZNQCLSA-N 328.359 4.684 0 40 EJAB O=C(c1csc(Cc2ccccc2)n1)N1CCC[C@H]2CCCC[C@H]21 40090226 NJPDXVIYKYCDOA-SJLPKXTDSA-N 340.492 4.529 0 40 EJAB O=C(Nc1cccc2c1CCCC2)N1CCC[C@H]1c1ccsc1 45959439 OBPYQMWFROJCIG-SFHVURJKSA-N 326.465 4.996 0 40 EJAB CCN(Cc1ccccn1)C(=O)N[C@H](C)c1csc2ccccc12 84157953 UAJISRAQNNPBCB-CQSZACIVSA-N 339.464 4.589 0 40 EJAB C[C@H](NC(=S)N[C@@H]1CCSc2c(F)cccc21)c1ccccc1 84656642 VYSCVTDHYTYXDX-BLLLJJGKSA-N 346.496 4.588 0 40 EJAB O=C(CCCc1ccccc1)N(Cc1ccoc1)Cc1cccs1 90612104 PFZCXCAUTDAWRS-UHFFFAOYSA-N 339.460 4.893 0 40 EJAB CCc1ccc(O[C@H](CC)C(=O)N[C@H](C)CCc2ccccc2)cc1 222889205 CWPBAZKBOILSHF-DYESRHJHSA-N 339.479 4.544 0 40 EJAB Cc1cc(C)c([C@H](C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1C 223441550 PJHPXLPLMADSTO-JKSUJKDBSA-N 345.870 4.910 0 40 EJAB CCc1ccc(CC)c(CNC(=O)[C@H](C)Oc2ccc(C)cc2C)c1 225398095 PSCDSLIGUAUJKV-KRWDZBQOSA-N 339.479 4.512 0 40 EJAB COc1ccc([C@H](C)NC(=S)Nc2cccc(OC(C)C)c2)cc1 225466199 GQDGQGAOXBNXHC-AWEZNQCLSA-N 344.480 4.530 0 40 EJAB CC[C@@H](C(=O)NCc1ccnc(-c2cccs2)c1)c1ccccc1 225650267 WFEJUGOJOWVZKW-QGZVFWFLSA-N 336.460 4.620 0 40 EJAB COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(OC)c(C)c2)cc1 225771640 VZXOYQUPSAPONH-LJQANCHMSA-N 341.451 4.529 0 40 EJAB CCOc1ccc(NC(=O)N[C@H](C)Cc2cc3ccccc3o2)cc1 390830909 OGVHVXCOFYQPOF-CQSZACIVSA-N 338.407 4.584 0 40 EJAB COc1ccc(NC(=O)COc2ccc(C(C)C)c(C)c2)cc1Cl 145331 ZOVRPUFFLVVOBG-UHFFFAOYSA-N 347.842 4.798 0 40 EJAB COc1ccccc1NC(=O)C[C@@H](c1ccc(F)cc1)c1ccco1 521645 CUTDXMHGDWDDPR-INIZCTEOSA-N 339.366 4.588 0 40 EJAB FC(F)(F)c1cccc(CNc2ncnc3c2[nH]c2ccccc23)c1 534089 WNPDAVOOGSNEII-UHFFFAOYSA-N 342.324 4.742 0 40 EJAB CCCCN(CCCC)C[C@H](O)c1ccc(OC)c2ccccc12 1644113 KLCBSVDLCRYTKX-FQEVSTJZSA-N 329.484 4.784 0 40 EJAB CCN(CC)C(=S)S[C@@H](C(=O)c1ccccc1)c1ccccc1 1846587 NGQKUDOEPPQSBC-GOSISDBHSA-N 343.517 4.971 0 40 EJAB CSc1ccc(C(=O)CCc2ccc(Br)cc2)cc1 2516758 HHPQJNTWOWDOGP-UHFFFAOYSA-N 335.266 4.987 0 40 EJAB O=C1Nc2ccc(Cl)cc2/C1=C\c1ccc(Br)cc1 3239214 NHQDQPPOAVZJHE-NTUHNPAUSA-N 334.600 4.595 0 40 EJAB Cc1nc(CSc2nnc(Nc3cccc(C)c3C)s2)cs1 3463363 MPIQJGXYKYPHNX-UHFFFAOYSA-N 348.522 4.956 0 40 EJAB C[C@H](C(=O)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 4024647 NPBNRBWMDNZEBN-PHMHBDBESA-N 346.511 4.647 0 40 EJAB biogenic C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=C(Cl)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 4026901 SOMOGWLYTLQJGT-TVWSYJQDSA-N 336.903 4.836 0 40 EJAB biogenic C[C@@H](Sc1ccccn1)C(=O)Nc1cccc(Cl)c1Cl 4835283 SYVIHNMUKJTSFE-SECBINFHSA-N 327.236 4.508 0 40 EJAB Cc1cc(SCC(=O)Nc2ccc(F)c(F)c2)nc2ccccc12 6044161 BMNDVCQCBLWKGC-UHFFFAOYSA-N 344.386 4.552 0 40 EJAB COc1cc(C(=O)Nc2ccc(C)cc2)ccc1OCc1ccccc1 6152054 KRBAVPCIMLJFIG-UHFFFAOYSA-N 347.414 4.835 0 40 EJAB C[C@@H](Nc1ccc(Oc2ccccc2)cc1)C(=O)NC1CCCCC1 6784371 FOXFBBQFGUURJQ-MRXNPFEDSA-N 338.451 4.728 0 40 EJAB COc1ccc(CCCC(=O)Nc2nc3ccccc3s2)cc1C 9615093 KAQJRDAEHMSISB-UHFFFAOYSA-N 340.448 4.575 0 40 EJAB Cc1cc(Cl)ccc1NC(=O)CCc1ncc(-c2ccccc2)o1 9676946 PKWCPGPSTRFGKI-UHFFFAOYSA-N 340.810 4.875 0 40 EJAB Cc1ccc2c(C)cc(SCc3ccc(C(N)=O)cc3)nc2c1C 12536769 GCALYZDZXXTPAK-UHFFFAOYSA-N 336.460 4.551 0 40 EJAB Cc1ccc(OCc2nc(C)c(C(=O)Nc3ccccc3)s2)cc1 12902544 ACQATZYHKGLOPV-UHFFFAOYSA-N 338.432 4.591 0 40 EJAB O=C(O)c1cc(Cl)c(OCc2cccc(Cl)c2)c(Cl)c1 13422897 SGQRUJPJKUKEJF-UHFFFAOYSA-N 331.582 4.924 0 40 EJAB Cc1nn(C)c2nc(-c3ccc(F)cc3)c(Cl)c(C(F)(F)F)c12 13961055 LTEDMHNSGDDJQX-UHFFFAOYSA-N 343.711 4.755 0 40 EJAB CCc1cccc(C)c1Nc1nnc(S[C@@H]2CCCCC2=O)s1 16328018 XUHKSKVVQNQPRO-CQSZACIVSA-N 347.509 4.756 0 40 EJAB O=S(=O)(Cc1ccc(F)cc1Cl)c1ccc2ccccc2c1 19822069 KVTWMESGLZSHLS-UHFFFAOYSA-N 334.799 4.606 0 40 EJAB O=C(O)c1cc(NC(=O)c2cc(Cl)ccc2Cl)ccc1Cl 20138389 GEXVEGMHGKULPV-UHFFFAOYSA-N 344.581 4.597 0 40 EJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NC(C(C)C)C(C)C 20453249 FWNDLEJKXLGOEX-LJQANCHMSA-N 327.468 4.794 0 40 EJAB C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1cc(C2CC2)on1 30316515 SHOAYVMXWVJLTO-VIFPVBQESA-N 339.222 4.692 0 40 EJAB C[C@H](c1nnc(-c2cccs2)o1)N1CCC[C@@H]1c1ccsc1 48234206 OLBBZAMRFQROGV-DGCLKSJQSA-N 331.466 4.758 0 40 EJAB Cc1cn2cc(NC(=O)c3cc(C(C)C)nc4ccccc34)ccc2n1 58406981 RLRVRIACJLGUQN-UHFFFAOYSA-N 344.418 4.567 0 40 EJAB CC(C)(C)OC(=O)Nc1cccc(C(=O)N(C2CCCC2)C2CC2)c1 75633502 KFIBITPJKIKJBV-UHFFFAOYSA-N 344.455 4.581 0 40 EJAB O=C(O)c1cccc(NCc2ccc(OCc3ccccc3)cc2)c1 76275777 IZJORTGNWXUOEZ-UHFFFAOYSA-N 333.387 4.576 0 40 EJAB Cc1ccc([C@H](C)NC(=O)COc2cc(C)ccc2C(C)C)c(C)c1 78458863 QPFAUPWQSZXOMC-SFHVURJKSA-N 339.479 4.991 0 40 EJAB Cc1ccc(C)c([C@H](C)NC(=O)c2cccn2Cc2cccs2)c1 95365119 TZMGXFQMZPVZSO-INIZCTEOSA-N 338.476 4.706 0 40 EJAB C[C@@H](NC(=O)CCc1ccc(Cl)cc1)c1ccc2c(c1)CCC2 223256211 JQAUCVYGJNOESA-CQSZACIVSA-N 327.855 4.639 0 40 EJAB CCC[C@H](C)NC(=O)c1ccc(OC)c(CSc2ccccc2)c1 224330232 LFDGLWPEZIKKCI-HNNXBMFYSA-N 343.492 4.906 0 40 EJAB CCOCc1cc(C(=O)Nc2ccc(C(C)C)cc2)ccc1OCC 224694275 XDYJQBUXSXYTAI-UHFFFAOYSA-N 341.451 4.998 0 40 EJAB CC(C)(Cc1ccccc1)NC(=O)COc1ccccc1C(C)(C)C 224937048 PYBZMVAUFWIXJN-UHFFFAOYSA-N 339.479 4.500 0 40 EJAB CCOc1ccccc1NC(=O)CCc1ccc(Cl)c(Cl)c1 225322068 WTNSOUMTAIYPIU-UHFFFAOYSA-N 338.234 4.963 0 40 EJAB CCOc1cccc(NC(=O)CCc2c(Cl)cccc2Cl)c1 225353951 SMJHMSAQLHGKII-UHFFFAOYSA-N 338.234 4.963 0 40 EJAB CCN(C(=O)C(F)(F)F)c1ccc2nc(-c3ccccc3C)oc2c1 226283950 BUWKBQDSLXMLPR-UHFFFAOYSA-N 348.324 4.718 0 40 EJAB CC1(C)CC[C@@H](NC(=O)CCc2ccoc2)[C@@H](c2ccccc2)C1 1597783569 GABBQAYGMSMOFS-RTBURBONSA-N 325.452 4.691 0 40 EJAB Cc1ccc(OC(=O)c2ccc(Br)cc2)c2ncccc12 384154 BUIIFRCAJPOBLL-UHFFFAOYSA-N 342.192 4.525 0 40 EJAB COc1ccc([C@@H](CCNCc2ccco2)Cc2ccccc2)cc1 1808427 KGMHFIBEEIRSCJ-FQEVSTJZSA-N 335.447 4.794 0 40 EJAB biogenic COc1ccc(NC(=O)COc2ccc3oc4ccccc4c3c2)cc1 3231128 KIGJNRLYNNPQFM-UHFFFAOYSA-N 347.370 4.612 0 40 EJAB Cc1nn(C(=O)c2ccccc2)c(C)c1Sc1ccc(Cl)cc1 3893047 DFLBDKXABCIISX-UHFFFAOYSA-N 342.851 4.993 0 40 EJAB O=C(OCc1ccc(Br)cc1)C12CC3CC(CC(C3)C1)C2 5019169 KLIIZUFBUNMTJM-UHFFFAOYSA-N 349.268 4.709 0 40 EJAB COc1ccc(NC(=O)c2ccc3noc(-c4ccccc4)c3c2)cc1 5034719 DDNOEFXIWKPASX-UHFFFAOYSA-N 344.370 4.756 0 40 EJAB CCN(C(C)=O)c1nc(/C=C/c2ccc3cc(C)ccc3n2)cs1 8726059 QFQIVGYLIGQMTC-CMDGGOBGSA-N 337.448 4.543 0 40 EJAB Cc1ccc(N[C@H](c2ccc(C(C)C)cc2)P(=O)(O)O)cc1F 12947534 QSVQBTGIFVSMHU-KRWDZBQOSA-N 337.331 4.546 0 40 EJAB CCC(=O)N1c2ccc(Cl)cc2[C@H]2OCC[C@@H]2[C@H]1c1ccco1 13514126 DKDKVIPKAZQOEX-UUWFMWQGSA-N 331.799 4.509 0 40 EJAB Cc1cccc(NC(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)c1 22409725 WEIAHTHWJCITJL-UHFFFAOYSA-N 349.434 4.740 0 40 EJAB COc1cccc(-c2csc(-c3ccc(OC)c(OC)c3)n2)c1 25667684 PLTDFAWEBGMJRR-UHFFFAOYSA-N 327.405 4.503 0 40 EJAB Cc1[nH]c(SCc2cn3cccc(C)c3n2)nc1Cc1ccccc1 36723717 AXALFBIMBFDJLK-UHFFFAOYSA-N 348.475 4.557 0 40 EJAB C[C@H](NC(=O)Nc1cccc2cnccc12)c1cc2ccccc2o1 53985556 GQCYATWVUXLCII-ZDUSSCGKSA-N 331.375 4.864 0 40 EJAB Cc1ccc2oc(-c3ccc(C)c(NC(=O)C(F)(F)F)c3)nc2c1 57316758 XBYVZRAUUQEZRU-UHFFFAOYSA-N 334.297 4.612 0 40 EJAB Cc1ccc([C@H]2CCCN2C(=O)Nc2cc(C)nn2C(C)(C)C)cc1 68600276 VDNGGXNIGDCKBL-QGZVFWFLSA-N 340.471 4.624 0 40 EJAB C[C@@H]1CCCC[C@@H]1NC(=O)CCCOc1ccc(Cl)cc1Cl 75241575 PHLXDYYQKXRTQV-DOMZBBRYSA-N 344.282 4.847 0 40 EJAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(F)cc1F 113969859 STKAERRWNNHGBJ-INIZCTEOSA-N 339.769 4.723 0 40 EJAB Cc1c(C=O)c2ccccc2n1C(=O)c1ccc(Cl)cc1Cl 216954673 CYEVYJSPWISSIQ-UHFFFAOYSA-N 332.186 4.758 0 40 EJAB C[C@@H](CCc1ccccc1)NC(=O)COc1ccc(C(C)(C)C)cc1 218930311 DAUZPRJTMFGBLK-KRWDZBQOSA-N 339.479 4.500 0 40 EJAB CCc1ccc(OCC(=O)NCCCc2ccc(C(C)C)cc2)cc1 218958255 OPOMLYVXYOMQDX-UHFFFAOYSA-N 339.479 4.500 0 40 EJAB CC[C@@H](NC(=O)[C@H](C)Oc1ccc(C)cc1)c1ccc(C)cc1C 218973921 HZOLVXJEURFSQF-FXAWDEMLSA-N 325.452 4.647 0 40 EJAB Cc1cccc(OCC(=O)N[C@H](CC(C)C)c2ccccc2)c1C 222820002 GEBUGRSFVPIXOF-LJQANCHMSA-N 325.452 4.586 0 40 EJAB CC(C)Sc1ccccc1C(=O)NC(C)(C)Cc1ccccc1 222827971 WQWJAMXLZPQMMK-UHFFFAOYSA-N 327.493 4.938 0 40 EJAB CCOc1ccc(C(=O)N[C@H](CC)c2ccc3c(c2)CCCC3)cc1 223110758 IDQVXHLQVRIXOX-OAQYLSRUSA-N 337.463 4.845 0 40 EJAB O=C(O)[C@H](Cc1cccc2ccccc12)Oc1ccccc1Cl 225047985 XIVLYGPGDSWXRB-SFHVURJKSA-N 326.779 4.568 0 40 EJAB CCCCc1ccc(C[C@@H](Oc2cc(C)cc(C)c2)C(=O)O)cc1 225128351 HKPCYPSAVCLRJV-HXUWFJFHSA-N 326.436 4.721 0 40 EJAB O=C(Nc1ccccc1F)c1ccc(-c2nc3ccccc3[nH]2)cc1 225255782 LUFHUTKWFJFTSW-UHFFFAOYSA-N 331.350 4.621 0 40 EJAB Fc1ccc(NC(=S)NCCCSC2CCCCC2)cc1F 225590997 GSHLOGSMPSJVQM-UHFFFAOYSA-N 344.496 4.707 0 40 EJAB CCOC1(C(=O)Nc2ccc(OC3CCCC3)c(C)c2)CCCC1 225707682 MNRAJIGOSXUHPJ-UHFFFAOYSA-N 331.456 4.604 0 40 EJAB CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OC)c(Cl)c1 225736850 IXXUTGKBTIFECY-QGZVFWFLSA-N 327.852 4.519 0 40 EJAB Cc1ccc(C)c(NC(=O)c2snnc2-c2ccc(Cl)cc2)c1 225769412 WZNQOKZJONUSJD-UHFFFAOYSA-N 343.839 4.728 0 40 EJAB FC(F)(F)c1ccc2c(cnn2[C@@H]2CCCCO2)c1Br 575631081 RYXRJVPOPIYYCM-NSHDSACASA-N 349.150 4.517 0 40 EJAB COc1ccc(-c2cn3nc(-c4ccccc4)n4c3c2CCCC4)cc1 390376 MNMPLEPNFPKJJI-UHFFFAOYSA-N 343.430 4.815 0 40 EJAB CCCC[C@@H](CC)C(=O)Oc1ccc(C(=O)c2ccccc2)c(O)c1 1736043 ZCVNWLRGTCLNIG-OAHLLOKOSA-N 340.419 4.745 0 40 EJAB CCCCCCOC(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 3196375 PABVXLFIUATQJW-UHFFFAOYSA-N 343.398 4.815 0 40 EJAB c1ccc([C@H]2C[C@H](c3cccc4ccccc34)n3ncnc3N2)cc1 3215841 IWWVHBLLICZEHD-WOJBJXKFSA-N 326.403 4.578 0 40 EJAB O=C(CCCSc1nc2ccccc2s1)Nc1ccc(F)cc1 3374723 XPKZSUAGWDLJTI-UHFFFAOYSA-N 346.452 4.946 0 40 EJAB O=C(Nc1cc(Cl)ccc1Cl)c1cc(-c2cccs2)on1 3908470 ZQLGFKAEVHTCPJ-UHFFFAOYSA-N 339.203 4.962 0 40 EJAB Cc1ccc2c(c1)C(c1ccccc1)=NNC(c1ccc(F)cc1)=N2 4129720 OVZZSRFORZSMTE-UHFFFAOYSA-N 329.378 4.568 0 40 EJAB CCSc1nnc(-c2ccc(OC)cc2)n1[C@@H]1CCCC[C@@H]1C 7780506 FENCPVBIEMKQNK-XJKSGUPXSA-N 331.485 4.817 0 40 EJAB Cc1cccc(Nc2ncc3c(n2)C[C@H](c2ccc(F)cc2)CC3=O)c1 18209231 MSGJVDPESRHFEJ-HNNXBMFYSA-N 347.393 4.580 0 40 EJAB COc1cccc(O[C@H](C)C(=O)Nc2c(C)cccc2C(C)C)c1 20483551 QJSMINOAKUPWBJ-OAHLLOKOSA-N 327.424 4.533 0 40 EJAB Clc1ccc(CSc2nnc(NC3CC3)s2)c2ncccc12 31652872 FMSYBOWFZGULMF-UHFFFAOYSA-N 348.884 4.606 0 40 EJAB CN(Cc1c(F)cccc1Cl)C(=O)CCCc1cccs1 40159551 JCDVMXRVSAMPOJ-UHFFFAOYSA-N 325.836 4.522 0 40 EJAB COc1ccccc1[C@H](C)N(C)C(=O)Nc1ccccc1OC(C)C 58028672 WDXGAVONPSHQDX-HNNXBMFYSA-N 342.439 4.707 0 40 EJAB O=[S@](Cc1ccc(Cl)cc1)Cc1cccc(C(F)(F)F)c1 58131882 QTFFGLRZBOLFPX-NRFANRHFSA-N 332.774 4.808 0 40 EJAB CCCCC(=O)Nc1ccc(O)c(-c2nc3cc(Cl)ccc3o2)c1 70462074 HDSWJOCNMGZYIP-UHFFFAOYSA-N 344.798 4.983 0 40 EJAB CCN1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1 72215398 NKWNZQUYHVLBLQ-QGZVFWFLSA-N 345.487 4.532 0 40 EJAB CC(C)(C)OC(=O)N(c1ccccc1)c1ccc([C@@H]2CCCN2)cn1 72215784 BHUCEVXYPVUGNT-KRWDZBQOSA-N 339.439 4.579 0 40 EJAB Cc1cc(Nc2ccc(C(=O)O)cc2)c2cc(Cl)cc(C)c2n1 78401668 NYNTWJUEQHDUNX-UHFFFAOYSA-N 326.783 4.947 0 40 EJAB CCc1ccc([C@@H](C)NC(=O)[C@H](CC)Oc2ccc(C)cc2)cc1 78458373 CAFJNDVVPRWQFQ-UZLBHIALSA-N 325.452 4.592 0 40 EJAB Cc1ccc2c(Br)ccc(OCc3ccccc3)c2n1 85391731 NNXQYBVYQVSZPH-UHFFFAOYSA-N 328.209 4.885 0 40 EJAB COc1cccc([C@H](C)NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c1 89905274 XBWGBJIWNHGXKK-AWEZNQCLSA-N 348.446 4.546 0 40 EJAB COc1cccc2cc([C@@H](C)NC[C@@H](C)c3c(C)noc3C)oc12 95988123 IDCMKNZMXZBYAQ-VXGBXAGGSA-N 328.412 4.501 0 40 EJAB CC(C)(C)c1cc(C(C)(C)C)c(C(=O)O)c(C(C)(C)C)c1C(=O)O 96171618 JTWYSMVDOMQNCT-UHFFFAOYSA-N 334.456 4.976 0 40 EJAB O=C1Nc2cc(Cl)ccc2[C@H]1Cc1ccccc1OC(F)(F)F 101659883 QYJSUNOPAMAXKU-GFCCVEGCSA-N 341.716 4.517 0 40 EJAB CCOC(=O)/C=C/c1ccc(OCc2ccccc2C)c(Cl)c1 216888433 IJJCVYUJQBBGIY-PKNBQFBNSA-N 330.811 4.804 0 40 EJAB CC[C@H](NC(=O)c1ccccc1OC(C)C)c1ccc(OC)c(C)c1 223411439 YUOFHICLAWRZOO-SFHVURJKSA-N 341.451 4.672 0 40 EJAB Cc1cccc([C@@H](NC(=O)CCc2ccc(F)cc2)c2ccccc2)c1 224190777 DAKJTEPCOPPTAI-QHCPKHFHSA-N 347.433 4.973 0 40 EJAB O=C(CSCc1cccc2ccccc12)NCC1CCCCC1 224954760 XEILLLJLGZUDBX-UHFFFAOYSA-N 327.493 4.770 0 40 EJAB CCCCOc1ccc(C(=O)Nc2ccc(F)c(C)c2)cc1OC 302769203 VYDVXMHKGRONRL-UHFFFAOYSA-N 331.387 4.574 0 40 EJAB COc1ccc2ccccc2c1/C=C1\Sc2ccccc2NC1=O 409100734 WPHTZMDLVVAHAW-UNOMPAQXSA-N 333.412 4.934 0 40 EJAB CC(C)c1ccccc1NC(=O)CN1C(=O)c2cccc3cccc1c23 555661 VJDJKARCKZLEMD-UHFFFAOYSA-N 344.414 4.562 0 40 EJAB CC(=O)c1ccc(NC(=O)c2cc(C)nc3c(C)cc(C)cc23)cc1 920327 BHQXBDFYFKRXAN-UHFFFAOYSA-N 332.403 4.615 0 40 EJAB CCC(=O)N(Cc1cc2ccc(C)cc2nc1Cl)C1CCCC1 1367623 JQDVZMUXFSZUDS-UHFFFAOYSA-N 330.859 4.878 0 40 EJAB Clc1ccc(CSc2nnc(-c3cccnc3)o2)cc1Cl 3251581 DRWZPHWIJSUFDS-UHFFFAOYSA-N 338.219 4.731 0 40 EJAB CC(=O)c1ccc(NC(=O)CCCOc2ccc(Cl)c(C)c2)cc1 3402910 NGMUVTZANMFZTA-UHFFFAOYSA-N 345.826 4.649 0 40 EJAB O=C1N(c2ccc(Cl)c(Cl)c2)[C@@H](c2ccccc2)N2CCCN12 5325309 SDVZQVHBQMVFSN-INIZCTEOSA-N 348.233 4.555 0 40 EJAB CCCn1c(C)nnc1SCc1csc(-c2cccc(C)c2)n1 6400363 GJQZDHTZHPWUNP-UHFFFAOYSA-N 344.509 4.721 0 40 EJAB CC(C)CC[C@@H](C)NC(=O)c1ccccc1OCc1ccc(F)cc1 6869583 YAHBOXYJTLIOOF-MRXNPFEDSA-N 343.442 4.959 0 40 EJAB COc1ccccc1NC(=O)c1cccc(OCc2ccccc2)c1 7668471 LOALFEZKXGXGMX-UHFFFAOYSA-N 333.387 4.527 0 40 EJAB O=C(Nc1ccc2c(c1)nc1n2CCCCC1)c1cccc(Cl)c1 7725394 HRBDGEHZZHTWBM-UHFFFAOYSA-N 339.826 4.668 0 40 EJAB C[C@@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1cc2ccccc2o1 8237725 LAESWTJMDOGXMR-GFCCVEGCSA-N 347.336 4.872 0 40 EJAB CC(C)COc1ccc(C(=O)N[C@H]2CCSc3ccccc32)cc1 8315806 JNZIJFRWXYEYPN-SFHVURJKSA-N 341.476 4.688 0 40 EJAB O=C(Nc1nc2c(s1)CCCC2)c1cc(C2CC2)nc2ccccc12 8724307 WPKRMGBLKVVQIG-UHFFFAOYSA-N 349.459 4.700 0 40 EJAB CCC(=O)Nc1cc(C(F)(F)F)ccc1Oc1cccc(OC)c1 9218260 HYMLWZDXMVUWEH-UHFFFAOYSA-N 339.313 4.855 0 40 EJAB Cc1cccc(C(C)C)c1NC(=O)c1ccc(CN2CCCC2)cc1 10364361 CRJQNWZRYKJFEQ-UHFFFAOYSA-N 336.479 4.967 0 40 EJAB c1ccc2oc(CN3CCC(c4c[nH]c5ccccc45)CC3)nc2c1 12777845 GIULABYJFRWJRD-UHFFFAOYSA-N 331.419 4.689 0 40 EJAB COc1cccc(Oc2nc(-c3ccccc3O)nc3ccccc23)c1 13121846 HKXJLXFOQGRCMJ-UHFFFAOYSA-N 344.370 4.803 0 40 EJAB Cc1csc(NC(=O)c2sc(-c3ccccc3Cl)nc2C)n1 13725242 SMZXWYBBTWRXKD-UHFFFAOYSA-N 349.868 4.789 0 40 EJAB O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc(F)cc1 14258232 XJWXTWIWSMFGOW-UHFFFAOYSA-N 327.399 4.891 0 40 EJAB COc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(CC(C)C)=NN32)cc1 15906163 KZUTWIGUSKKYDZ-FPOVZHCZSA-N 336.435 4.935 0 40 EJAB O=C1C[C@@H](c2ccc(Cl)cc2)Cc2nc(Nc3ccccc3)ncc21 20101855 BQUMVYOXJNQJCS-AWEZNQCLSA-N 349.821 4.786 0 40 EJAB CC[C@H](NC(=S)Nc1cccc(Cl)c1)c1ccc(OC)cc1 20625054 KXEVUQBRJIKBLC-INIZCTEOSA-N 334.872 4.786 0 40 EJAB O=C(Nc1ccc(-c2cc[nH]n2)cc1)c1cc2c(F)cccc2s1 29278244 RYRKOGLQSKSUKC-UHFFFAOYSA-N 337.379 4.683 0 40 EJAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(C(F)(F)F)cc1 30752001 YOAOVYFBSPYVNH-MRXNPFEDSA-N 337.341 4.810 0 40 EJAB Oc1ccc(CN[C@@H](c2ccc3c(c2)CCC3)c2cccs2)cc1 32845176 NELSEETYNOWOIK-NRFANRHFSA-N 335.472 4.822 0 40 EJAB O=C(c1ccc(Cl)c(Cl)c1)c1c(F)c(F)c(F)c(F)c1F 36302319 NOAODJIMPWJYNI-UHFFFAOYSA-N 341.062 4.920 0 40 EJAB O=C(Nc1cccc2ccccc12)c1snnc1-c1ccccc1 36365474 QFGYIAORPQQPPL-UHFFFAOYSA-N 331.400 4.611 0 40 EJAB COc1ccc([C@H](C)NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1 44883159 ALJBYPSDZLNYJN-QWHCGFSZSA-N 349.883 4.707 0 40 EJAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1SC 44946511 PCSGJAXEJAMANF-CQSZACIVSA-N 335.856 4.858 0 40 EJAB Cc1ccc(CSc2nnc(COc3cccc(C)c3C)o2)cc1 59176212 XOMYVTWEELFZMN-UHFFFAOYSA-N 340.448 4.866 0 40 EJAB Cc1cccc([C@@H]2CCCN2C(=O)Cc2ccc(-n3cccc3)cc2)c1 71818529 GBXOSMFYXMQBLA-QFIPXVFZSA-N 344.458 4.692 0 40 EJAB Cc1nc(Cl)ccc1[C@@H]1CCCCN1C(=O)OCc1ccccc1 72217930 YVVPYVYIYXNZHC-KRWDZBQOSA-N 344.842 4.907 0 40 EJAB CCc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)cc1 78457987 KTRXXPZFYNENKG-IAGOWNOFSA-N 325.452 4.511 0 40 EJAB CCc1noc(C2CCC(NCc3ccc(C(C)C)cc3)CC2)n1 95466863 GFUULYZHRIIKGK-UHFFFAOYSA-N 327.472 4.571 0 40 EJAB CC[C@@H](NC(=O)[C@H](C)Oc1ccccc1C)c1ccc(C)cc1C 219290003 DEBNOWSXSPKNNH-PKOBYXMFSA-N 325.452 4.647 0 40 EJAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](C1)C(=O)C[C@H]1[C@@H]3CCC[C@@]3(C)CC[C@H]12 257345828 KDFBVYUYNLYXGM-RBJBKSPJSA-N 332.484 4.530 0 40 EJAB C[C@H](Cc1csc2ccccc12)NC(=O)CCc1ccccc1F 618257626 ZGMXFNPPVFEEKT-CQSZACIVSA-N 341.451 4.720 0 40 EJAB O=C(Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccccc1 344541 XFEQHDIYXRJRHG-UHFFFAOYSA-N 341.370 4.656 0 40 EJAB CC(C)Oc1ccc([C@H](CC(=O)NCc2ccco2)C(C)C)cc1 488683 KFVAQFSKBCHDAG-LJQANCHMSA-N 329.440 4.513 0 40 EJAB biogenic Cc1ccc([C@@H]2CC(=O)c3cnc(Nc4cccc(C)c4)nc3C2)cc1 2416237 RJJWJUMQGUCRHF-KRWDZBQOSA-N 343.430 4.750 0 40 EJAB CCCCn1nc(NC(=O)c2ccccc2)c2cc3ccccc3nc21 2422375 XHKPXJDBHNKRFW-UHFFFAOYSA-N 344.418 4.637 0 40 EJAB CCc1ccc(-c2csc(NC(=O)c3ccc(C)s3)n2)cc1 3344368 XHNSJPSKBGEYNK-UHFFFAOYSA-N 328.462 4.995 0 40 EJAB Cc1cccc(NC(=O)NCc2ccc3[nH]c4c(c3c2)CCCC4)c1 4138299 MGAGYEVYRIPXQR-UHFFFAOYSA-N 333.435 4.677 0 40 EJAB CC[C@@H](O)c1nc2ccccc2n1CCCCOc1ccc(C)cc1 4317856 BIIGLWKPJJRQJY-HXUWFJFHSA-N 338.451 4.647 0 40 EJAB CC1=C[C@H](C)[C@H](CN(CCO)C[C@H]2[C@@H](C)C=C(C)C[C@H]2C)[C@H](C)C1 4763828 KUFAUZJRIITNBN-NALHQMNBSA-N 333.560 4.758 0 40 EJAB CC1=CC(C)(C)N(C(=O)c2ccccc2C(=O)O)c2ccc(C)cc21 5417888 GFNMZYCQPYBGPX-UHFFFAOYSA-N 335.403 4.536 0 40 EJAB O=C(/C=C/c1ccccc1Cl)Nc1nc(-c2cccnc2)cs1 5689380 WWYCOJAWMDNLIH-BQYQJAHWSA-N 341.823 4.510 0 40 EJAB COc1cccc(C(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)c1 6343292 SQBOCSLRPHOTFY-MRXNPFEDSA-N 331.415 4.853 0 40 EJAB O=C(/C=C/c1cccs1)N[C@@H](c1ccccc1)c1cccs1 7739468 FEHHGFPWEXDFMP-ZGKFYVQTSA-N 325.458 4.729 0 40 EJAB Cc1cccc(-n2ccnc2SCc2nc(-c3ccccc3)no2)c1 10887359 OMLACZULADOUQJ-UHFFFAOYSA-N 348.431 4.523 0 40 EJAB CCCc1ccc(NC(=O)c2c[nH]c(=S)n2-c2ccccc2)cc1 11870342 WDMKJMQGSANJAY-UHFFFAOYSA-N 337.448 4.740 0 40 EJAB Cc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)c(C)c1 11915698 WZVSSFJUOXCKHY-UHFFFAOYSA-N 326.783 4.864 0 40 EJAB O=C(COc1ccccc1-c1ccccc1)N1CCC[C@H]2CCCC[C@H]21 14598354 DGIQSSMDGHEVFU-TZIWHRDSSA-N 349.474 4.914 0 40 EJAB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1c(F)cccc1F 15011182 JJFNZHAKYNMJRO-FNORWQNLSA-N 328.145 4.924 0 40 EJAB Cc1ccc([C@H](C)NC(=O)CCSCc2ccccc2)c(C)c1 22519280 NYLLHVVEWKUUJN-KRWDZBQOSA-N 327.493 4.804 0 40 EJAB COc1ccc([C@@H]2CCCCCN2C(=O)c2cc(F)cc(F)c2)cc1 24392479 BKKGSNREAACMSV-IBGZPJMESA-N 345.389 4.731 0 40 EJAB COc1cccc(-c2nc(-c3ccc4c(c3)CCC4)cs2)c1OC 25667155 PMFQXLYNVVYSED-UHFFFAOYSA-N 337.444 4.983 0 40 EJAB C[C@H]1CCCN(C(=O)/C(=C/c2ccc(F)cc2)c2cccs2)C1 29509602 JKNHLYVHKVILGP-IQGJIOQQSA-N 329.440 4.686 0 40 EJAB O=C(C[C@H]1C=CCC1)Nc1cc(C(F)(F)F)ccc1N1CCCC1 36397716 GVLZMHCAAXUPSF-ZDUSSCGKSA-N 338.373 4.600 0 40 EJAB COC(=O)Cc1ccc(-c2nc3cc(-c4ccccc4)ccc3o2)cc1 41127437 USBGQNBWCAAVCR-UHFFFAOYSA-N 343.382 4.877 0 40 EJAB CCc1ccc(OCC(=O)Nc2ccc3[nH]c4ccccc4c3c2)cc1 44781867 FMIPWHZOYRQEIL-UHFFFAOYSA-N 344.414 4.901 0 40 EJAB CC[C@H](NC(=O)[C@@H](CC)Oc1cccc(C)c1C)c1ccccc1 44885188 ZHHPVCNFGHIPFM-RBUKOAKNSA-N 325.452 4.728 0 40 EJAB Fc1cccc(Cl)c1CN(c1ncnc2ccsc12)C1CC1 58381573 MTSQJEJBMUFVQN-UHFFFAOYSA-N 333.819 4.653 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1C 59351231 DGWGOSBHPFXGSE-QZTJIDSGSA-N 325.452 4.565 0 40 EJAB CC(C)c1nc(CN2CCC(CCc3ccc(O)cc3)CC2)cs1 60856938 ZKHNWDNNTDDCMM-UHFFFAOYSA-N 344.524 4.817 0 40 EJAB CCc1cccc(CC)c1NC(=O)[C@@H](C)Oc1ccc(C)cc1C 64982927 GHZOMFXEKPDMBY-MRXNPFEDSA-N 325.452 4.834 0 40 EJAB CCCCc1nc(C)c(C(=O)Nc2cccc(-c3cnco3)c2)s1 65158874 XSTCRSCSUSEMMH-UHFFFAOYSA-N 341.436 4.701 0 40 EJAB Cn1c(-c2cccc(Cl)c2)ccc1-c1nnc(-c2ccco2)o1 67299932 BANKHBWNOCZTAQ-UHFFFAOYSA-N 325.755 4.656 0 40 EJAB COc1cccc(CN(C)C(=O)c2ccccc2-c2ccccc2)c1 68745433 HWLFIOJQKZFKIX-UHFFFAOYSA-N 331.415 4.634 0 40 EJAB CC(C)n1ncc2c1N=C(O)C[C@H]2c1ccc(-c2ccccc2F)o1 71282662 ZDGNENHUXZUUET-CYBMUJFWSA-N 339.370 4.987 0 40 EJAB O=C(Cc1cccc2ccccc12)N1CCC(c2ccsc2)CC1 75157135 HOSFJGACMMQCQT-UHFFFAOYSA-N 335.472 4.850 0 40 EJAB CC(C)c1cc(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)no1 76060618 DSIKTYGFCJNIHK-WDEREUQCSA-N 339.222 4.847 0 40 EJAB CCc1ccc(O[C@H](CC)C(=O)N[C@@H](C)c2ccc(CC)cc2)cc1 78458513 JTXBHIWRYBYLAX-HRAATJIYSA-N 339.479 4.846 0 40 EJAB C[C@@H](N[C@@H](CO)c1ccc(Cl)c(F)c1)c1ccc(Cl)cc1 92769333 IAUZZTXZEUXUMU-HWPZZCPQSA-N 328.214 4.517 0 40 EJAB CC[C@H](NC(=O)[C@H](C)Oc1ccccc1Cl)c1ccc(C)c(C)c1 219060688 OGMWGYOLMPJHOF-YJBOKZPZSA-N 345.870 4.992 0 40 EJAB Cc1ccc(OC[C@H](C)NC(=S)Nc2ccc(C)c(Cl)c2)cc1 225640675 DIKTZRAURUAAQH-AWEZNQCLSA-N 348.899 4.711 0 40 EJAB CC1(C)C[C@]2(CCCN2CCC(F)(F)F)CN1c1cccc(F)c1 2037988758 HHGWLWSXVXUNRW-QGZVFWFLSA-N 344.396 4.601 0 40 EJAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(F)c(Cl)c2)c1 514197 GTIVTMIADFWEAR-UHFFFAOYSA-N 335.806 4.928 0 40 EJAB C[C@H]1CCCCN1C(=O)[C@H](Sc1ccccc1)c1ccccc1 1469206 MNBMQBGZQJIBGJ-QFBILLFUSA-N 325.477 4.921 0 40 EJAB CC(=O)C1=NN(c2ccc(C)cc2)[C@@H](c2cccs2)N1C(C)(C)C 2298874 NPPSJUDUDJNUJJ-SFHVURJKSA-N 341.480 4.578 0 40 EJAB CCCCCCOc1ccc(C(=O)Oc2ccc(C(=O)O)cc2)cc1 2573393 VQLWORYWCJWAAP-UHFFFAOYSA-N 342.391 4.563 0 40 EJAB in-vitro Cc1cccc(NC(=O)/C=C/c2ccc(Br)cc2)c1C 3156782 USOYTVDMMMIRRU-DHZHZOJOSA-N 330.225 4.718 0 40 EJAB COc1ccc2cc(-c3cc(C(=O)O)c4ccccc4n3)ccc2c1 3884991 GOGMULHCVISZHY-UHFFFAOYSA-N 329.355 4.762 0 40 EJAB CC(C)Oc1ccc(OCCSc2nc3ccccc3n2C)cc1 4538153 NDHFBXOMGIFVBI-UHFFFAOYSA-N 342.464 4.532 0 40 EJAB Cc1nnc(SCc2cc(=O)oc3cc(C)c(C(C)C)cc23)s1 5054151 QASJOABWKPEJQC-UHFFFAOYSA-N 346.477 4.677 0 40 EJAB CCO[C@@]1(c2ccccc2)c2ccccc2C(=O)N1c1ccccc1 5576160 JXLPFVZKBPHJFC-QFIPXVFZSA-N 329.399 4.585 0 40 EJAB CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)N(C)Cc1ccccc1C 6841318 FEQFRLZEPJCXTE-FUHWJXTLSA-N 338.495 4.968 0 40 EJAB Cc1ccc(OCCn2cc(C(=O)C(F)(F)F)c3ccccc32)cc1 6966337 RPTBUSDFHCVLLO-UHFFFAOYSA-N 347.336 4.774 0 40 EJAB Clc1ccccc1-c1nc(CSc2nncs2)cs1 7195243 FOSPGZQFLYSFAZ-UHFFFAOYSA-N 325.871 4.607 0 40 EJAB O=C(C[C@H](c1ccccc1)n1cnc2ccccc21)c1ccccc1 7542322 SAGHVQDFVQGNAU-OAQYLSRUSA-N 326.399 4.899 0 40 EJAB CCOc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1OC 10039646 VHRKUGMGURHFHQ-UHFFFAOYSA-N 340.206 4.653 0 40 EJAB Cc1ccc2nc(NCc3cccnc3)nc(-c3ccccc3)c2c1 12528165 HUWJMAWORWXJQT-UHFFFAOYSA-N 326.403 4.612 0 40 EJAB O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cc2ccccc2o1 13625661 OMFCWSMILPDHKC-UHFFFAOYSA-N 338.794 4.540 0 40 EJAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1c2ccccc2C[C@@H]1C 13646849 DNHJSLMRLCIQGI-HOTGVXAUSA-N 337.463 4.729 0 40 EJAB Fc1ccc(NCc2ccc(OCCOc3ccccc3)cc2)cc1 19737683 FKMQDXQNTWSRTD-UHFFFAOYSA-N 337.394 4.896 0 40 EJAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1cccc(OC(C)C)c1 20459152 TVANZMMRUAVORJ-LJQANCHMSA-N 341.451 4.887 0 40 EJAB Clc1ccc(-c2noc(CN3CCC[C@H]3c3cccs3)n2)cc1 21581246 QFPIZJRRLISJPZ-AWEZNQCLSA-N 345.855 4.789 0 40 EJAB O=C(CSc1nc(-c2ccccc2)cs1)c1ccccc1F 26040055 LAAKXPMGDGQLLZ-UHFFFAOYSA-N 329.421 4.924 0 40 EJAB CC[C@@H](C(=O)N[C@H](C)c1cccc(Br)c1)c1ccccc1 36395560 HYCZMFDGGFBQJZ-CXAGYDPISA-N 346.268 4.820 0 40 EJAB O=C(Nc1ccccc1)NC1(c2ccc(Br)cc2)CCC1 40152985 ZPTIOEFHJLMSNE-UHFFFAOYSA-N 345.240 4.650 0 40 EJAB c1ccc2oc(CCCSc3ncnc4ccsc34)nc2c1 54203581 UJZHBVPYHMHBDD-UHFFFAOYSA-N 327.434 4.557 0 40 EJAB CCc1cc2c(N[C@H](c3ccccc3)[C@@H]3CCCO3)ncnc2s1 58217486 NVDDZKKWHPNRQN-DLBZAZTESA-N 339.464 4.586 0 40 EJAB Cc1ccc(/C=C/C(=O)Nc2ccccc2Sc2nccn2C)cc1 65521292 MKVUOBZRNLUMHB-VAWYXSNFSA-N 349.459 4.532 0 40 EJAB Cc1ccc(C(=O)N(CCc2ccccc2)Cc2ccccc2)c(C)n1 84147852 FDERBYMSIHVFCC-UHFFFAOYSA-N 344.458 4.584 0 40 EJAB Cc1nn(C(C)C)c(C)c1NC(=O)CC1(n2cccc2)CCCCC1 95474199 YFRSVUXYBWYQMS-UHFFFAOYSA-N 342.487 4.571 0 40 EJAB CC[C@H](C(=O)NC[C@@](C)(OC)c1cccc(Cl)c1)c1ccccc1 96392428 RQECXSYQWYUETO-AZUAARDMSA-N 345.870 4.512 0 40 EJAB C[C@H](NC(=O)C1c2ccccc2-c2ccccc21)[C@@H]1C[C@H]2CC[C@H]1C2 102347785 CRBVYEMBTIFLTN-OSAWLIQMSA-N 331.459 4.740 0 40 EJAB O=C(/C=C/c1cccs1)Nc1ccccc1-c1cn2ccccc2n1 206898652 KDRZWCGJRGJNJQ-ZHACJKMWSA-N 345.427 4.715 0 40 EJAB CCCCOCc1cc(C(=O)Nc2ccccc2)ccc1OCC 224725005 JSKYMWGHCSEUPM-UHFFFAOYSA-N 327.424 4.654 0 40 EJAB Cc1cc(C)c(C(=O)N[C@H](c2cccs2)C2CCOCC2)c(C)c1 606440553 AJCPCICBJZCCLL-IBGZPJMESA-N 343.492 4.571 0 40 EJAB O=C(Nc1ccc(C2CCCCC2)cc1)C(=S)NC1CCCCC1 45056 RWRLZSXFOUCBNG-UHFFFAOYSA-N 344.524 4.923 0 40 EJAB Cc1ccccc1-n1c(-c2ccccc2F)nc2ccccc2c1=O 196346 LIYRQRSVWXWFQV-UHFFFAOYSA-N 330.362 4.500 0 40 EJAB CC[C@@H](C)c1ccc(NC(=S)NC(=O)c2cc(C)cc(C)c2)cc1 505953 DUFUFSJCVZAJND-OAHLLOKOSA-N 340.492 4.944 0 40 EJAB CC1(C)c2ccccc2N2CCC(O)=N[C@]21/C=C/c1ccc(F)cc1 2296727 ZLNUHQHONULYBH-ZOXUKVPXSA-N 336.410 4.693 0 40 EJAB COc1ccc(Cl)cc1Nc1ncnc2sc3c(c12)CCCC3 2605578 WIPOVJRWGFSTRZ-UHFFFAOYSA-N 345.855 4.976 0 40 EJAB O=C(/C=C/c1cnc2ccccc2n1)Nc1ccc(Cl)c(Cl)c1 2653009 XNBPZWKTHHBWNQ-SOFGYWHQSA-N 344.201 4.589 0 40 EJAB C[C@H](CCc1ccccc1)NC(=O)CSc1ccccc1Cl 3219334 CUUAPVVRMMIXBN-CQSZACIVSA-N 333.884 4.570 0 40 EJAB Cc1cccc2sc(NC(=O)C34CC5CC(CC(C5)C3)C4)nc12 3898505 QTLVCHWAAZMDDA-UHFFFAOYSA-N 326.465 4.760 0 40 EJAB CSc1ccc(C(=O)Nc2nc3c(Cl)cccc3s2)cc1 5222713 MXGQWPJIUCJBIW-UHFFFAOYSA-N 334.853 4.924 0 40 EJAB CCCCC[C@H](O)/C=C/[C@@H]1CCC(=O)[C@@H]1CCCCCCC(=O)O 8471903 DPNOTBLPQOITGU-ODRRUVFFSA-N 338.488 4.504 0 40 EJAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccc(C(C)C)cc1 8481150 YKHBADBUNFYUIH-QGZVFWFLSA-N 327.424 4.615 0 40 EJAB Cc1ccccc1NC(=O)[C@H](C)Sc1cc(-c2ccccc2)ncn1 12016735 LLZIYSPCFYXGCJ-HNNXBMFYSA-N 349.459 4.571 0 40 EJAB CCn1nc(C)c(CN2C[C@H](c3ccccc3)C3(CCCC3)C2)c1C 12228196 XHSUFUPOHKMCQJ-OAQYLSRUSA-N 337.511 4.680 0 40 EJAB Cc1nc2cc(N[C@H](C)C(=O)Nc3cccc(Cl)c3C)ccc2o1 12527843 CPBIPVABKDONCT-LLVKDONJSA-N 343.814 4.537 0 40 EJAB O=C(Nc1ccc(Cl)cc1)N[C@H](c1ccccc1)c1ccccn1 12557613 JZLQJERXAWUAPW-GOSISDBHSA-N 337.810 4.646 0 40 EJAB O=C(Nc1nc(-c2cccs2)c(-c2cccs2)s1)C1CC1 14625070 IUCJHKVDMMTPRN-UHFFFAOYSA-N 332.475 4.949 0 40 EJAB COc1ccc(NC(=O)N(C2=NCCC2)c2cc(C)cc(C)c2)cc1 15391616 PUPJOWWBNRBTJO-UHFFFAOYSA-N 337.423 4.543 0 40 EJAB Cc1ccc2c(C)c(C(=O)Nc3nc4c(s3)CCCC4)oc2c1 15832128 OAZSPPDEEKTMNU-UHFFFAOYSA-N 326.421 4.637 0 40 EJAB C[C@@H](NC(=O)c1ccccc1C(F)(F)F)c1cccc(Cl)c1 16018196 ZXDJHKUYXXEVFD-SNVBAGLBSA-N 327.733 4.850 0 40 EJAB O=C(CCCc1c[nH]c2ccccc12)Nc1ccc2ncccc2c1 18192252 RKYAKJMUYBXFSR-UHFFFAOYSA-N 329.403 4.678 0 40 EJAB Cc1ncc(CN[C@H]2[C@H]3CCCC[C@H]3[C@@H]2c2ccc(Cl)cc2)cn1 19287284 NGCQAPOEQAJGRR-FYQPLNBISA-N 341.886 4.500 0 40 EJAB CC[C@H](Oc1ccccc1[C@H](C)CC)C(=O)Nc1cc(N)ccc1F 19736795 QOMYZJZKWZAJTE-ACJLOTCBSA-N 344.430 4.718 0 40 EJAB COc1ccc2cc([C@H](C)C(=O)N[C@@H]3CCCC[C@@H]3C)ccc2c1 21875479 KZVJJENLDZNITF-AUSJPIAWSA-N 325.452 4.647 0 40 EJAB CC(C)c1ccc([C@H](NCc2nc3ccccc3c(=O)[nH]2)C(C)C)cc1 23717669 BCYSHSUSHVNVKO-OAQYLSRUSA-N 349.478 4.533 0 40 EJAB c1coc([C@H]2Nc3ccccc3[C@H]3c4[nH]c5ccccc5c4CCN23)c1 26456142 KCWBCVWYCIJIAZ-VXKWHMMOSA-N 341.414 4.833 0 40 EJAB O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(F)cc1F 28211012 HCCMBQUINDKHRO-UHFFFAOYSA-N 335.659 4.889 0 40 EJAB Cc1ccc2nc(NCCc3ccccc3)c(-c3noc(C)n3)cc2c1 33318192 XGWMINLOOCQVMU-UHFFFAOYSA-N 344.418 4.556 0 40 EJAB CC[C@@H](NC(=O)c1ccc(Br)cc1)c1ccc(C)cc1 38771179 AFFBOSBAAKJFGF-MRXNPFEDSA-N 332.241 4.639 0 40 EJAB Nc1c(Br)cc(Oc2ccccc2)cc1Br 39425596 BFTOBPAULBIMEJ-UHFFFAOYSA-N 343.018 4.586 0 40 EJAB CC(C)(c1ccccc1)c1ccc(OC[C@H]2CCNC2)c(Cl)c1 42771160 SCQHWTFJYUISBG-HNNXBMFYSA-N 329.871 4.654 0 40 EJAB Nc1cc(Nc2cc(Cl)cc(Cl)c2)nc(-c2ccccc2F)n1 49467843 HNDLJCSYUVZXGH-UHFFFAOYSA-N 349.196 4.915 0 40 EJAB Nc1cc(Nc2cccc(C(F)(F)F)c2)nc(-c2ccc(F)cc2)n1 49467956 GWDNKCXSYKDVBX-UHFFFAOYSA-N 348.303 4.627 0 40 EJAB CCn1c2ccccc2c2cc(NC(=O)CC[C@@H]3CCCO3)ccc21 71878311 KEXGZNPMDYBKLM-INIZCTEOSA-N 336.435 4.712 0 40 EJAB CCSc1ncccc1[C@@H]1CCCN1C(=O)OCc1ccccc1 72217176 VJVRAXOAIBIXFZ-KRWDZBQOSA-N 342.464 4.667 0 40 EJAB Cc1ccc(OCC(=O)N[C@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)c(C(C)(C)C)c1 103002971 OWXUMEOFCLZJEU-TVFCKZIOSA-N 343.511 4.612 0 40 EJAB Cc1ccc([C@H](C)NC(=O)CCSCc2ccccc2)cc1C 218999461 NYLZFFQJOKKQFM-KRWDZBQOSA-N 327.493 4.804 0 40 EJAB Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2 224195346 IQIFGNHMMHAXGR-CQSZACIVSA-N 343.854 4.933 0 40 EJAB CC(C)c1ccc(CCCNC(=O)c2ccc(Cl)cc2F)cc1 224800434 RJAKJPXNGFLHAC-UHFFFAOYSA-N 333.834 4.965 0 40 EJAB C[C@H](O)c1cccc(NC(=O)c2ccc(OCc3ccccc3)cc2)c1 226274493 OQZZPZMSPFWFER-INIZCTEOSA-N 347.414 4.571 0 40 EJAB CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3[C@H](CC[C@]12C)[C@@]1(C)CCC(=O)C[C@@H]1C[C@H]3C 253617422 LLEADQQVTIBBHB-BVJMRLCKSA-N 346.511 4.776 0 40 EJAB Cc1cc(Br)ccc1C(=O)CCCCBr 379808884 YOMARRGPWOQXTQ-UHFFFAOYSA-N 334.051 4.505 0 40 EJAB CCCCOc1ccc(C(=S)NCc2ccccc2Cl)cc1 408571241 AOARFSQRGWPABK-UHFFFAOYSA-N 333.884 4.984 0 40 EJAB CCCN1C(=O)S/C(=C/c2ccc(-c3ccc(F)cc3F)o2)C1=O 408600519 CJEMXZZQDKMBTI-OQLLNIDSSA-N 349.358 4.671 0 40 EJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)CCc1ccccc1 408680977 UTEJRGZRALWQRQ-DNVCBOLYSA-N 345.870 4.635 0 40 EJAB O=C(CCc1ccc(F)cc1F)N1CCC[C@H]1CCC1CCCC1 622448044 YMVUIULJFWMLCW-SFHVURJKSA-N 335.438 4.859 0 40 EJAB C[C@H]1CC(C)(C)Nc2c(Br)cc(Br)cc21 1554770655 WCBVJDRVZZSFLQ-ZETCQYMHSA-N 333.067 4.909 0 40 EJAB CC1(C)[C@]2(C(=O)Nc3cccc(Cl)c3Cl)CC[C@@]1(C)C(=O)C2 308189 SUXPZCVVHOTCJP-DLBZAZTESA-N 340.250 4.717 0 40 EJAB Cc1cn(C(=O)c2ccccc2)c(=S)n1-c1ccc(Cl)cc1 366681 KCYNINVAHHCOJE-UHFFFAOYSA-N 328.824 4.659 0 40 EJAB Cc1ccccc1C(=O)N(C)c1nc(-c2ccc(F)cc2)cs1 413138 PFSMAJMEGYQDOA-UHFFFAOYSA-N 326.396 4.534 0 40 EJAB Fc1ccc(-c2nc3nc4ccccc4nc3n2C2CCCC2)cc1 541843 IZNPKORBUUUUMU-UHFFFAOYSA-N 332.382 4.901 0 40 EJAB CCN(C(=O)Cn1cc(C(=O)C(C)C)c2ccccc21)c1ccccc1 560924 JYPVPWDQAOQMIZ-UHFFFAOYSA-N 348.446 4.533 0 40 EJAB Cc1nc(N2CCCCC2)c2sc(=S)n(-c3ccccc3)c2n1 1075719 CUPBTYFOLGOSDH-UHFFFAOYSA-N 342.493 4.510 0 40 EJAB Fc1ccc(CNCC[C@@H](c2ccc(F)cc2)c2ccco2)cc1 2374463 VTSIWKOGAUPEGJ-IBGZPJMESA-N 327.374 4.870 0 40 EJAB CC(C1=CC[C@H](C(=O)O)C(C)(C)O1)(c1ccccc1)c1ccccc1 3845828 ODPZAMFARYWDFS-GOSISDBHSA-N 336.431 4.776 0 40 EJAB biogenic C[C@H]1CC2(CCCCC2)Nc2ccc(I)cc21 3999780 GQAFJKXWYYVIJV-NSHDSACASA-N 341.236 4.913 0 40 EJAB biogenic Cc1cc(C)cc(C(=O)Nc2ccc(Br)cc2Cl)c1 6260113 ZCDIMXZFTIGQKS-UHFFFAOYSA-N 338.632 4.972 0 40 EJAB Cc1cc(OCC(=O)NCc2ccccc2F)c(C(C)C)cc1Cl 6260573 IZZSQFUQCHSHFW-UHFFFAOYSA-N 349.833 4.606 0 40 EJAB CC[C@@H](C)c1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)cc1 7053355 FAWMVNQXPRYDSI-CQSZACIVSA-N 331.481 4.926 0 40 EJAB CCCCCNCc1cccc(OC)c1OCc1ccccc1F 7261349 UEIUTJULNKBMFO-UHFFFAOYSA-N 331.431 4.693 0 40 EJAB Cc1oc(-c2ccccc2)nc1COC(=O)c1ccc(Cl)cc1 12256752 IFVBTMIRRVVKKM-UHFFFAOYSA-N 327.767 4.660 0 40 EJAB O=C(Nc1ccccc1)O[C@H]1[C@H]2CCC[C@@H]1[C@@H](N1CCCCC1)CC2 13563637 LURDPRCEUSFKGO-RNQOJCNYSA-N 342.483 4.668 0 40 EJAB O=C(Nc1ccc2ccccc2c1)c1ccc(OC[C@H]2CCCO2)cc1 13627485 XLRBYPXXOOUSRP-OAQYLSRUSA-N 347.414 4.650 0 40 EJAB O=C(CCCSc1nc(/C=C/c2ccccc2)n[nH]1)c1ccccc1 14246229 DMMYCIUBTBOHKK-BUHFOSPRSA-N 349.459 4.730 0 40 EJAB Cc1ccc(-c2nc(CNC(=O)c3ccc(Cl)cc3)cs2)cc1 15832473 RETBVKCYQXXLRS-UHFFFAOYSA-N 342.851 4.702 0 40 EJAB CC[C@@H](NC(=O)COc1cc(C)c(Cl)c(C)c1)c1ccc(C)cc1 20485985 UHIKHBXHIWYCQQ-GOSISDBHSA-N 345.870 4.912 0 40 EJAB CC[C@@H](O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2 32194758 DWQHLALXVGENEN-GOSISDBHSA-N 342.508 4.684 0 40 EJAB in-vitro Cc1ccc(C(=O)N[C@H](c2ccccc2)c2cc3ccccc3o2)cn1 32895971 CGXJHWLKKTYBHA-OAQYLSRUSA-N 342.398 4.656 0 40 EJAB Cc1cc(NC(=O)c2ccccc2)c(NC(=O)c2ccccc2)cc1C 38962314 BFSRWKHHVHXWMN-UHFFFAOYSA-N 344.414 4.808 0 40 EJAB CC[C@@H](Oc1ccc(F)cc1)C(=O)N[C@H](CC)c1ccc(C)cc1 44905034 GQJAHKIVSFGORH-RTBURBONSA-N 329.415 4.559 0 40 EJAB CCCN(C(=O)c1cc2c(s1)CCC2)[C@H]1CCc2ccccc2C1 65883295 CVWUTOAZGLZMQU-SFHVURJKSA-N 339.504 4.647 0 40 EJAB CC[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)c1c(C)noc1C 69484588 XCVUHRQMVTURPX-CYBMUJFWSA-N 340.395 4.738 0 40 EJAB Fc1ccc(Cc2cccc([C@H]3CCCN3Cc3ccncc3)n2)cc1 72357668 IKUXFRYUDGFTKI-JOCHJYFZSA-N 347.437 4.544 0 40 EJAB O=C(Nc1cnn(-c2ccccc2)c1)c1ccc(-c2ccc(F)cc2)o1 84576672 BZOYOOWKAMTOBJ-UHFFFAOYSA-N 347.349 4.524 0 40 EJAB Cc1cc(C)cc(-c2nn3c(-c4cc5ccccc5o4)nnc3s2)c1 96193780 CXKKUYDSOUOAPV-UHFFFAOYSA-N 346.415 4.883 0 40 EJAB Cc1cc(C)cc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)c1 96650885 MSECBPPFFLXJFC-UHFFFAOYSA-N 326.783 4.864 0 40 EJAB O=Cc1cn(C(=O)C(c2ccccc2)c2ccccc2)c2ccccc12 216953112 ADRLMODJWLXOKR-UHFFFAOYSA-N 339.394 4.926 0 40 EJAB Cc1cc(C)cc(NC(=O)c2cnc(-c3ccc(Cl)cc3)nc2)c1 222602416 XSWNLGVZRUSZDB-UHFFFAOYSA-N 337.810 4.666 0 40 EJAB COc1cc(C)c(S(=O)(=O)Nc2cccc(C)c2C)cc1C(C)C 222733320 SXCUWXVAIYBFEV-UHFFFAOYSA-N 347.480 4.545 0 40 EJAB CCc1ccc([C@@H](C)NC(=O)COc2ccccc2C(C)(C)C)cc1 225650656 JGKRXMSNCQVTKY-MRXNPFEDSA-N 339.479 4.803 0 40 EJAB O=C(Nc1ccccc1C(F)(F)F)c1ccc([C@@H]2CCCOC2)cc1 390834252 VDZATHJNMAXOOS-OAHLLOKOSA-N 349.352 4.852 0 40 EJAB CC1=C2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H]3CC[C@@]4(C)O)[C@@]2(C)Cc2cnoc21 504664756 AAHNYFCTPITCHA-LSPLWHNMSA-N 341.495 4.998 0 40 EJAB CC(C)[C@@H](C(=O)N[C@@H]1CCCc2ccccc21)c1ccc(F)cc1 1585810542 ZHGLLBPSPKYPOA-WOJBJXKFSA-N 325.427 4.759 0 40 EJAB Cc1ccc(-c2nc3nc4ccccc4nc3n2Cc2ccco2)cc1 521705 MDFGBLBCMOXAMG-UHFFFAOYSA-N 340.386 4.596 0 40 EJAB aggregator CCN1c2ccccc2-c2nc3ccccc3n2[C@H]1c1ccc(C)o1 541187 UBOQBAVCWNNPSY-NRFANRHFSA-N 329.403 4.992 0 40 EJAB CN(C)c1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)cc1 997021 NJMVGWQEJUCFOY-UHFFFAOYSA-N 344.414 4.629 0 40 EJAB Fc1cccc(Cn2c(-c3cccnc3Cl)nc3ccccc32)c1 1386010 ZJQJMSFZGQBSQD-UHFFFAOYSA-N 337.785 4.939 0 40 EJAB Cc1ccc2oc(=O)c(-c3ccc(O)cc3)c(-c3ccc(O)cc3)c2c1 2573906 OICXSGJVOXVUCO-UHFFFAOYSA-N 344.366 4.847 0 40 EJAB O=c1c2c(-c3ccccc3)csc2[nH]c(=S)n1C1CCCC1 2635298 FZCKKUMGSCJGLV-UHFFFAOYSA-N 328.462 4.903 0 40 EJAB Cc1ccc(C)c(SCC(=O)Nc2ncc(Cl)cc2Cl)c1 2658074 YJWORWJVSQIWLC-UHFFFAOYSA-N 341.263 4.736 0 40 EJAB COc1ccc(-c2ccnc(-c3ccc(OCCCF)cc3)n2)cc1 4050156 QQLCYNLGRRJGLY-UHFFFAOYSA-N 338.382 4.558 0 40 EJAB O=C(Nc1cccc(Br)c1)Nc1c[nH]c2ccccc12 5299940 GYFPMYGXIZBADI-UHFFFAOYSA-N 330.185 4.574 0 40 EJAB COCc1c(C(=O)O[C@@H](C)c2ccc(F)cc2)oc2ccccc12 6216496 YBMKPPGUTNWCRZ-LBPRGKRZSA-N 328.339 4.636 0 40 EJAB O=C(CCCc1c[nH]c2ccccc12)N[C@H]1CCCc2ccccc21 6566217 JIJLBPMFRUIMJJ-NRFANRHFSA-N 332.447 4.684 0 40 EJAB Clc1ccccc1COc1ccc(CNCc2ccco2)cc1 7523585 UDNUQQWJYWDILF-UHFFFAOYSA-N 327.811 4.802 0 40 EJAB Cc1ccc(C)c(-c2csc(NC(=O)c3cc(C)oc3C)n2)c1 7723626 MQTUOPBJMYRPEK-UHFFFAOYSA-N 326.421 4.889 0 40 EJAB O=C(N[C@H](c1ccccc1)c1ccco1)c1ccc2ccccc2c1 7808701 XQHJCZGDWADGCX-OAQYLSRUSA-N 327.383 4.952 0 40 EJAB Cc1ccc2cc3c(NC(=O)C(C)(C)C)nn(CC(C)C)c3nc2c1 9357493 QAUXJWQXPRGYJP-UHFFFAOYSA-N 338.455 4.534 0 40 EJAB Cc1ccccc1-n1ccnc1SCc1nc(-c2ccccc2)no1 10880725 OEKYDZOAPUVQIV-UHFFFAOYSA-N 348.431 4.523 0 40 EJAB Cc1cc(S(=O)(=O)Nc2cccc(Cl)c2C)c(C)cc1Cl 11613728 ZOVIXNCOZCURLF-UHFFFAOYSA-N 344.263 4.719 0 40 EJAB Cc1cccc(/C=C/C(=O)N2CCC[C@H]2c2nc3ccccc3s2)c1 12896757 HXJWNDVXGIPIFE-DXRVJIQQSA-N 348.471 4.982 0 40 EJAB CC(C)c1ccccc1O[C@@H](C)C(=O)NCCSC1CCCCC1 20047288 SXMUFGYKIWZRMH-INIZCTEOSA-N 349.540 4.759 0 40 EJAB C[C@H]1Cc2ccccc2N1C(=O)c1ccc(CN2CCC[C@@H](C)C2)cc1 20458564 VOQPZMDYLYAFEW-MSOLQXFVSA-N 348.490 4.510 0 40 EJAB COc1cccc(-c2nc(-c3cc(F)ccc3F)cs2)c1OC 25667082 VRQZUNAGIQKSBR-UHFFFAOYSA-N 333.359 4.773 0 40 EJAB O=S(=O)(Cc1ccccc1)/C(=C\c1ccccc1)c1ccccc1 31670108 ONFIELJYPYBFER-PGMHBOJBSA-N 334.440 4.800 0 40 EJAB CCc1ccc(O[C@@H](CC)C(=O)N[C@H](C)c2ccc(C)cc2C)cc1 59351664 RVWPPEIJWUODNX-UTKZUKDTSA-N 339.479 4.901 0 40 EJAB CC(C)(C)OC(=O)N(c1ccc([C@H]2CCCCN2)cn1)C1CCCC1 72215575 AWYAJPGLBAXHPW-QGZVFWFLSA-N 345.487 4.580 0 40 EJAB O=C(/C=C/c1ccsc1)NCCc1nc(C2CCCCC2)cs1 72275347 FTITUHXICKVADG-VOTSOKGWSA-N 346.521 4.624 0 40 EJAB COC(=O)[C@@H](C)n1c(Cc2cccc3ccccc23)nc2ccccc21 82087019 HUHIFCHXTGZHLI-OAHLLOKOSA-N 344.414 4.514 0 40 EJAB CC[C@H](C(=O)Nc1ccc(-c2cnc3n2CCC3)cc1)c1ccccc1 85471589 TZTFBQZHBJTCCN-IBGZPJMESA-N 345.446 4.629 0 40 EJAB CC[C@@H](C)c1ccc(-n2c(S)nc3cc(Cl)ccc3c2=O)cc1 100434012 SGPPZVYSIHOBKS-LLVKDONJSA-N 344.867 4.841 0 40 EJAB Cc1ccccc1O[C@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 222967504 WVNVUZSQMRVXBZ-DLBZAZTESA-N 337.463 4.519 0 40 EJAB Cc1cc(C)c([C@@H](C)NC(=O)c2ccc(Br)cc2)cc1C 223394041 XNWVTYPYHILUDD-CQSZACIVSA-N 346.268 4.865 0 40 EJAB CC[C@H](CNC(=S)Nc1cc(C)ccc1C)Cc1ccccc1 225629400 AGBZZZIWKRSPDO-KRWDZBQOSA-N 326.509 4.859 0 40 EJAB CCOC(=O)c1ccc2[nH]c(-c3cc(Cl)ccc3Cl)nc2c1 226236125 OHAFKYXNYKYREV-UHFFFAOYSA-N 335.190 4.713 0 40 EJAB COc1cc2ccccc2cc1C(=O)Nc1cc(Cl)c(C)cc1N 226347490 LPAIHZPUPKDCDR-UHFFFAOYSA-N 340.810 4.645 0 40 EJAB O=C([C@@H]1CCCC(F)(F)C1)N(Cc1ccccn1)c1ccc(F)cc1 252491925 LZRCUIYHRMXVLN-CQSZACIVSA-N 348.368 4.579 0 40 EJAB CO[C@@H](CNC(=O)Nc1ccccc1Cl)c1cc2ccccc2o1 253472773 PIEUAYLPWSSHMM-KRWDZBQOSA-N 344.798 4.595 0 40 EJAB CC(C)Oc1cccc(NC(=O)CSCc2ccc(Cl)cc2)c1 408576362 SRHJMSLTBIJTTL-UHFFFAOYSA-N 349.883 4.999 0 40 EJAB CCCSc1nnc(Cc2ccccc2)n1-c1ccc(CC)cc1 409096168 JZWZLBDHMVXLTG-UHFFFAOYSA-N 337.492 4.923 0 40 EJAB C[C@@H](Cc1csc2ccccc12)NC(=O)/C=C/c1ccsc1 575621688 RATNPUGDKRBCQM-YBJDMEARSA-N 327.474 4.723 0 40 EJAB C[C@@H]1CC(=O)N(C)c2ccc(NCc3ccc(Cl)c(F)c3)cc21 623791430 KUNSZEQEGKRNMJ-LLVKDONJSA-N 332.806 4.561 0 40 EJAB CC(C)(C)c1ccc(C(=O)Nc2ccccc2)cc1Br 358776 JLPUQOWWUGAFAY-UHFFFAOYSA-N 332.241 4.999 0 40 EJAB Cc1ccc(NC(=O)CCc2ccccc2)c(C(=O)c2ccccc2)c1 567850 CIWKSNHFQQKVNF-UHFFFAOYSA-N 343.426 4.797 0 40 EJAB O=C(Nc1cccc(C(F)(F)F)c1)c1cc2ccccc2cc1O 995516 TYINNZKCWQSFLU-UHFFFAOYSA-N 331.293 4.817 0 40 EJAB CCCC(=O)Nc1c(C)nn(Cc2c(Cl)cccc2Cl)c1C 999424 LVCVBXUZOROZMJ-UHFFFAOYSA-N 340.254 4.594 0 40 EJAB O=C(NCc1ccccc1)c1cc2cc(Br)ccc2s1 1386247 NXAZPWBKMGLIBL-UHFFFAOYSA-N 346.249 4.594 0 40 EJAB CCN(CC)CCCOC(=O)[C@@H](c1ccccc1)C1CCCCC1 1726483 XTJYWVDREYTMGV-FQEVSTJZSA-N 331.500 4.626 0 40 EJAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2ccc3c(c2)CCC3)c1C 7830288 HMLXIPHLCJLGGD-CQSZACIVSA-N 341.476 4.686 0 40 EJAB C[C@H](c1nnc(-c2cccs2)o1)N1CC=C(c2ccccc2)CC1 7913196 GQIOHWNVNOLQET-CQSZACIVSA-N 337.448 4.648 0 40 EJAB Cc1nc(COc2ccccc2C(=O)Nc2ccccc2C)cs1 7918132 TYMRESBWVOPGQO-UHFFFAOYSA-N 338.432 4.591 0 40 EJAB CCCCN(C)Cc1c(C)nc2ccc(OCC(C)C)cc2c1O 8717494 IITLNJDSQUOJME-UHFFFAOYSA-N 330.472 4.516 0 40 EJAB Cc1cccc(C(C)C)c1NS(=O)(=O)Cc1ccc(Cl)cc1 9694989 DCZRHEOTJYMGAF-UHFFFAOYSA-N 337.872 4.714 0 40 EJAB O=C(CCSCc1nc2ccccc2s1)Nc1cccc(F)c1 12989478 AUBGVISIHWQVRW-UHFFFAOYSA-N 346.452 4.697 0 40 EJAB CCOc1ccccc1NC(=S)Nc1cccc(C(F)(F)F)c1 13791942 XZWBBGWDKVFJEG-UHFFFAOYSA-N 340.370 4.913 0 40 EJAB O=C(CCOc1ccccc1)N[C@H](c1cccs1)C1CCCC1 32398239 GXPZDTHQARBPIL-IBGZPJMESA-N 329.465 4.565 0 40 EJAB O=C(O)CCc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 36194739 HVFYRSJDDASPMB-UHFFFAOYSA-N 325.191 4.590 0 40 EJAB COc1ccccc1NC(=O)Cc1coc2cc(C)c(Cl)c(C)c12 39892981 JNODDCJPXRNSDH-UHFFFAOYSA-N 343.810 4.893 0 40 EJAB Cc1ccc(NC(=O)[C@H](C)N2CCC[C@@H]2c2ccsc2)c(C)c1 52803633 BBWLQNXFFZVDJX-MAUKXSAKSA-N 328.481 4.529 0 40 EJAB O=C(Nc1ccccc1)[C@@H](Nc1nc2ccccc2o1)c1ccccc1 54389250 OUBSQMSEZQNEAP-IBGZPJMESA-N 343.386 4.620 0 40 EJAB Cc1ccc(NC(=O)[C@@H](C)SC/C=C/c2ccccc2)cc1F 58201689 XYCCCVGJGWRBNA-RZIFZGNASA-N 329.440 4.908 0 40 EJAB CC(C)(C)n1nc(C(=O)Nc2cccc3c2CCCC3)cc1C1CC1 58365320 JAMYCWIVJIOEIQ-UHFFFAOYSA-N 337.467 4.647 0 40 EJAB O=[S@@](Cc1cccc(Cl)c1)Cc1coc(-c2ccc(F)cc2)n1 69350702 CEOWWQLYLRFUMT-HSZRJFAPSA-N 349.814 4.583 0 40 EJAB Cc1ccc(Oc2ccc(C(=O)Nc3nc(C)c(C)s3)o2)cc1 72260085 QINPCESGRWLEAU-UHFFFAOYSA-N 328.393 4.706 0 40 EJAB CCc1ccc([C@H](C)NC(=O)[C@@H](CC)Oc2cc(C)cc(C)c2)cc1 78458415 XUJGYJUPLKBZAS-LAUBAEHRSA-N 339.479 4.901 0 40 EJAB CCOc1ccc2nc(COc3cc(C)c(Cl)c(C)c3)[nH]c2c1 82087022 ZCZZJZIJEPONQY-UHFFFAOYSA-N 330.815 4.811 0 40 EJAB CCOc1cc(C=O)c(Cl)cc1OCc1c(F)cccc1Cl 95094985 AXEYFSDQVYEUCX-UHFFFAOYSA-N 343.181 4.923 0 40 EJAB CCCNC(=O)c1ccc(OC)c(COc2cccc3ccccc23)c1 224297896 BGGJMZJZWYBVRE-UHFFFAOYSA-N 349.430 4.567 0 40 EJAB CCCCNC(=O)c1ccc(OC)c(CSc2ccc(C)cc2)c1 224333015 FOPKRMHHDOQLTI-UHFFFAOYSA-N 343.492 4.826 0 40 EJAB C[C@@H](CC(C)(C)c1ccccc1)NC(=O)CCc1ccccc1F 225435981 HXINXWBHSNQXHL-INIZCTEOSA-N 327.443 4.631 0 40 EJAB Cc1ccc(OC[C@@H](C)NC(=S)Nc2ccc(Cl)cc2)cc1C 225789158 UWVCGBRKJMAEKU-CQSZACIVSA-N 348.899 4.711 0 40 EJAB COc1ncc(NC(=O)C2(c3ccccc3Cl)CCCC2)cc1C 225863504 URDAGBHBVLLMEC-UHFFFAOYSA-N 344.842 4.503 0 40 EJAB CCc1nc2cc(C(=O)Nc3ccc(Cl)cc3Cl)ccc2n1C 225896636 LPLDRAGUPJYQJV-UHFFFAOYSA-N 348.233 4.695 0 40 EJAB O=C(CC(=O)c1ccccc1)Nc1ccc(Cl)c(C(F)(F)F)c1 137244 GLSAXNHRDBFGFY-UHFFFAOYSA-N 341.716 4.570 0 40 EJAB CCCCOc1ccc(C(=O)Nc2ccc(OC)c(Cl)c2)cc1 2062603 LFOPPTJFBRRDKK-UHFFFAOYSA-N 333.815 4.780 0 40 EJAB CCCCCNCc1ccc(OCc2ccc(Cl)nc2)c(OC)c1 2181827 CRTVAXUXMYMUEM-UHFFFAOYSA-N 348.874 4.602 0 40 EJAB Cc1cccc(-c2nnn3c2nc(NCCC(C)C)c2ccccc23)c1 2694178 WZZLUYWMBYKJNI-UHFFFAOYSA-N 345.450 4.711 0 40 EJAB c1ccc(-c2nc(Oc3ccc4c(c3)OCO4)c3ccccc3n2)cc1 3490976 PTGAHWQAGYFBIE-UHFFFAOYSA-N 342.354 4.818 0 40 EJAB COc1cccc(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 3615157 FNSLIIOJEDITOJ-UHFFFAOYSA-N 343.732 4.549 0 40 EJAB COc1ccc2c(c1)CCC1=C2OC(=O)C(C)(C)[C@H]1c1ccccc1 3850191 QBBSZJMLIXHHEH-IBGZPJMESA-N 334.415 4.719 0 40 EJAB biogenic CCCCOP(=O)(OCCCC)[C@@H](O)c1ccc(OC)cc1 4823000 DHVSHEXZRNVCDD-MRXNPFEDSA-N 330.361 4.513 0 40 EJAB O[C@@]12c3ccccc3[C@@]1(c1ccc(Cl)cc1)c1ccc(Cl)cc12 5699178 NUAOHEWMGXLJDG-VQTJNVASSA-N 339.221 4.891 0 40 EJAB Cc1cccc(NC(=O)c2ccccc2NC(=O)c2cccc(F)c2)c1 7758784 JSMPWLMWUBADCQ-UHFFFAOYSA-N 348.377 4.639 0 40 EJAB Cc1c(C(=O)NCc2ccc(Cl)cc2)n(C)c2ccc(Cl)cc12 9264140 IZDFXEQPKIDWQY-UHFFFAOYSA-N 347.245 4.724 0 40 EJAB COc1ccccc1N(CC1CC1)C(=O)Nc1cccc(Cl)c1 12391494 JQJNRPAQTBULLM-UHFFFAOYSA-N 330.815 4.797 0 40 EJAB COc1ccccc1NC(=O)N[C@@H]1CCSc2ccc(Cl)cc21 12999013 YXLCPBSHLXREGO-CYBMUJFWSA-N 348.855 4.707 0 40 EJAB Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)c1 13710698 GGWSEKRTZRZJOW-ZDUSSCGKSA-N 337.341 4.728 0 40 EJAB CCCn1c(CC)nnc1SCc1c(Cl)cccc1Cl 13993159 ZWJIESOZHZRSFT-UHFFFAOYSA-N 330.284 4.850 0 40 EJAB Cc1ccc([C@@H](NC(=O)CSc2ccccc2)c2ccccc2)cc1 14576986 VQVUTPIPGSWUJI-QFIPXVFZSA-N 347.483 4.993 0 40 EJAB Cc1ccc2cccc(NC(=O)[C@H](C)Oc3cccc(C)c3C)c2n1 15835263 LIZXPXMSEYLZGQ-INIZCTEOSA-N 334.419 4.566 0 40 EJAB O=C1NC(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)S1 16385225 NTZPLLUZAFVWMM-SDQBBNPISA-N 340.187 4.577 0 40 EJAB CCC[C@@](O)(c1ccccc1)[C@@H](CN1CCCCC1)c1ccccc1 27241985 FZFRYOBRYWNHTG-XZOQPEGZSA-N 337.507 4.944 0 40 EJAB COc1ccc(-c2nc(Nc3ccccc3OC)sc2C)cc1 32603824 HNKVSAIXUSTUDL-UHFFFAOYSA-N 326.421 4.879 0 40 EJAB C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)[C@@H]1CCCc2ccccc21 40058971 ROTNWUTUUCIARW-CXAGYDPISA-N 329.390 4.604 0 40 EJAB CCCCCCNC(=O)CCc1nc2ccccc2n1-c1ccccc1 40160364 ABBBPUWENOFBMT-UHFFFAOYSA-N 349.478 4.655 0 40 EJAB COc1ccc([C@@H](CC(C)C)NC(=O)Cc2ccc(Cl)cc2)cc1 44845020 WVSNCQFPRFGSFE-LJQANCHMSA-N 345.870 4.795 0 40 EJAB Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)C(F)(F)F 57316736 YZMHCTDHSXIZKO-UHFFFAOYSA-N 336.338 4.773 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)c2ccccc2Br)cc1C 59351087 DKLCLQSROSBPKJ-CYBMUJFWSA-N 332.241 4.557 0 40 EJAB C[C@H](CNC(=O)/C=C/c1ccc(Cl)cc1Cl)c1ccccc1 59475311 FVLRBNSGYHSLIF-AORWBKJGSA-N 334.246 4.927 0 40 EJAB O=C(CCc1c[nH]c2ccccc12)Nc1ccc(-n2cccc2)cc1 61718478 CXOIIVJFNVUKMF-UHFFFAOYSA-N 329.403 4.530 0 40 EJAB CCn1c2ccccc2c2cc(NC(=O)CC[C@H]3CCCO3)ccc21 71878312 KEXGZNPMDYBKLM-MRXNPFEDSA-N 336.435 4.712 0 40 EJAB Clc1cccc([C@@H]2C=C(c3ccccc3)Nc3ncnn32)c1Cl 101171725 GMFUPBWLQNEHDJ-HNNXBMFYSA-N 343.217 4.641 0 40 EJAB O=c1nc2n(c3ccccc13)CC/C2=C/c1cccc(Cl)c1Cl 102501308 ADYAGDQFLFCWPY-BENRWUELSA-N 343.213 4.648 0 40 EJAB CCc1ccc(O[C@H](CC)C(=O)Nc2c(C)cc(C)cc2C)cc1 222882645 GRUPQFOCDMAUHW-LJQANCHMSA-N 325.452 4.970 0 40 EJAB CC(C)c1ccccc1O[C@@H](C)C(=O)NCCc1ccc(Cl)cc1 224420701 AWUQRYZYJKRHTQ-HNNXBMFYSA-N 345.870 4.590 0 40 EJAB CC[C@@H](NC(=O)COc1ccc2c(c1)CCCC2)c1ccc(C)cc1 224676523 OHZZEYLIIAEMGC-OAQYLSRUSA-N 337.463 4.520 0 40 EJAB O=C(O)[C@H](Cc1ccccc1Oc1ccccc1)Oc1ccccc1 225138173 ZWQQNFVKUZSOOH-FQEVSTJZSA-N 334.371 4.554 0 40 EJAB CC(C)[C@H](C)NC(=O)c1ccc(OCCSc2ccccc2)cc1 225214938 UTVPBTAUZYVFSI-INIZCTEOSA-N 343.492 4.632 0 40 EJAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCC)c(Cl)c1 225625042 XGEJUAUSQYJRGY-KRWDZBQOSA-N 327.852 4.663 0 40 EJAB CCCOc1ccc(NC(=O)[C@](C)(CCC)OC)c2ccccc12 225797707 AGECDAJPXAMVOV-FQEVSTJZSA-N 329.440 4.772 0 40 EJAB O=C(c1ccc(Br)cc1Cl)C(Cl)(Cl)Cl 306372229 HXOZPYXLMYWJSK-UHFFFAOYSA-N 336.827 4.655 0 40 EJAB Cc1nc2cc(NC(=O)N(C)c3ccc(C)c(C)c3)ccc2s1 408980059 UEVUSCLBNSDMMD-UHFFFAOYSA-N 325.437 4.890 0 40 EJAB CCc1cccc(CC)c1NC(=O)CSCc1ccc(OC)cc1 409119241 SCLQNXJLZVVGGZ-UHFFFAOYSA-N 343.492 4.692 0 40 EJAB C[C@@H](S[C@H]1Cc2cc(Cl)ccc2Sc2ccccc21)C(N)=O 346651 HJURBEHONKUNEP-HWPZZCPQSA-N 349.908 4.695 0 40 EJAB Cc1cc(OCC(=O)N[C@H]2CCCc3ccccc32)cc(C)c1Cl 371928 JDNKKYRSKVFNPD-SFHVURJKSA-N 343.854 4.529 0 40 EJAB COc1ccc2cc(C)c(SCC(=O)c3ccccc3F)nc2c1 412491 LRTNBWDBQCWHMO-UHFFFAOYSA-N 341.407 4.666 0 40 EJAB CCCOc1ccc(OCCSc2nc3ccccc3[nH]2)cc1 3902124 KPQGALLYDSESRJ-UHFFFAOYSA-N 328.437 4.523 0 40 EJAB Cc1ccc(-n2c(/C=C/c3ccccc3)nc3ccccc3c2=O)cc1 3912905 XTQDFKIEVGTJRT-DTQAZKPQSA-N 338.410 4.865 0 40 EJAB O=C(Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1)C1CCCCC1 4072070 SATNSPVUUMNMEF-UHFFFAOYSA-N 345.512 4.525 0 40 EJAB CC(C)CC(=O)Nc1cc2ccccc2cc1NC(=O)CC(C)C 4825891 DOYYBHCGEGAAIR-UHFFFAOYSA-N 326.440 4.809 0 40 EJAB O=C1/C(=C/c2ccc(Cl)cc2Cl)N=C(S)N1c1ccccc1 5076615 DDMANRIXEMHHCM-ZSOIEALJSA-N 349.242 4.667 0 40 EJAB CC1(C)c2cc(F)ccc2N2CCC(O)=N[C@@]21/C=C/c1ccccc1 5516382 XSJSSVGCHWDXHC-ACUNGTFPSA-N 336.410 4.693 0 40 EJAB CCCN1C(=O)S/C(=C/c2cccn2-c2ccc(Cl)cc2)C1=O 6629572 PCSKHHZWNMBXPZ-RVDMUPIBSA-N 346.839 4.577 0 40 EJAB Cc1ccc2c(CC(=O)Nc3ccccc3N3CCCCC3)coc2c1 6821931 RQKLXTWWOGNQMY-UHFFFAOYSA-N 348.446 4.913 0 40 EJAB CCCOc1cc(/C=C2/C(=O)Nc3cc(Cl)ccc32)ccc1OC 7155783 BVHJEJHZDGOYJF-OQLLNIDSSA-N 343.810 4.630 0 40 EJAB COc1ccc(Cl)cc1-c1n[nH]c(SCc2ccc(F)cc2)n1 7605261 GUGDTURDVIGENH-UHFFFAOYSA-N 349.818 4.565 0 40 EJAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)/C=C/c1ccc(F)cc1 7706112 GWEBMZOMWUNQHZ-SRXBQZRASA-N 340.423 4.668 0 40 EJAB Cc1cccc2sc(NC(=O)c3cnc(Cl)c(Cl)c3)nc12 7725238 GETYETMNJRSRNI-UHFFFAOYSA-N 338.219 4.559 0 40 EJAB Cc1cc(C(=O)CSc2nnc(-c3ccc(F)cc3)o2)c(C)s1 7829820 LAGIUEVMELUKRD-UHFFFAOYSA-N 348.424 4.529 0 40 EJAB CCc1cccc(CC)c1NC(=O)[C@H](C)Oc1cc(C)cc(C)c1 8041543 ALGHPWSVZBTWCL-INIZCTEOSA-N 325.452 4.834 0 40 EJAB Cc1ccc(CN(C)C(=O)[C@@H](C)Oc2cccc3ccccc23)cc1 20456620 PUXTZRUKWZJOSO-QGZVFWFLSA-N 333.431 4.574 0 40 EJAB CC[C@H](Oc1ccccc1Cl)C(=O)N[C@@H](CC)c1ccccc1 22528322 PQBBLFZSEPYCBJ-IRXDYDNUSA-N 331.843 4.765 0 40 EJAB O=C(/C=C/c1nc2ccccc2o1)NC1CCC(c2ccccc2)CC1 25098693 STYSDAPYADVEJG-CCEZHUSRSA-N 346.430 4.684 0 40 EJAB COc1ccc(CCC(=O)Nc2ccc(OC3CCCC3)cc2)cc1 31245291 WNLJOQBQQNEZSK-UHFFFAOYSA-N 339.435 4.588 0 40 EJAB Cc1ccc(NC(=O)Nc2ccc(F)cc2F)c(Br)c1 34651553 XSGXXHYZLDQFPV-UHFFFAOYSA-N 341.155 4.680 0 40 EJAB CN(Cc1ccccc1Cl)C(=O)Nc1cccc(OC(F)F)c1 40120542 PFIYKHUAUAQPJR-UHFFFAOYSA-N 340.757 4.605 0 40 EJAB Cc1ccccc1-c1cc(-c2nc(-c3ccccc3Cl)no2)[nH]n1 46914352 YVWMGDDEFHGXPR-UHFFFAOYSA-N 336.782 4.756 0 40 EJAB CSc1ccc([C@@H]2CC(O)=Nc3c2cnn3Cc2ccccc2)cc1 49550666 XQRYUNOVPWEQKD-KRWDZBQOSA-N 349.459 4.777 0 40 EJAB CCn1c2ccccc2c2cc(NC(=O)Nc3cc(C)nn3C)ccc21 58345514 MYFMBFJQKAEXMA-UHFFFAOYSA-N 347.422 4.500 0 40 EJAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N[C@H](C)c1ccc(C)cc1C 59351654 JUDHHRATAAEGFL-WIYYLYMNSA-N 339.479 4.955 0 40 EJAB Cc1ccc(N(C(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)C(C)C)cc1 75094280 OYGHVHSBDMBNNF-UHFFFAOYSA-N 346.430 4.609 0 40 EJAB O=C(Nc1cnc(Oc2ccccc2)nc1)Nc1ccccc1Cl 75172175 OQKYEWDHIAEBPC-UHFFFAOYSA-N 340.770 4.566 0 40 EJAB Cc1cccc([C@H](C)SCc2csc(-c3ncccn3)n2)c1 95962202 MOALKWDYIOMPIO-ZDUSSCGKSA-N 327.478 4.903 0 40 EJAB Cc1ccc(CN2CC[C@@H](OCC3CC3)[C@@H]2Cc2ccccc2)s1 96061589 UWTKDBOLKZLHBR-LEWJYISDSA-N 341.520 4.669 0 40 EJAB Cc1cc(C)c(NC(=O)[C@H]2C[C@H]2c2ccccc2C(F)(F)F)c(C)n1 97214006 YTPJMJIHIICWNB-GJZGRUSLSA-N 348.368 4.768 0 40 EJAB Cc1cc(C)nc(/C=C(/NC(=O)c2ccccc2)c2ccccc2)c1 104272585 ZTVNNZAFHQRGAA-RCCKNPSSSA-N 328.415 4.627 0 40 EJAB CCCC[C@@H](CC)CNC(=O)[C@@H](CC)Oc1ccccc1Cl 224440332 RGPFURWAUVEAAC-GDBMZVCRSA-N 325.880 4.830 0 40 EJAB Cc1cc(NC(=S)NCc2ccccc2C)ccc1Br 225308867 XYIILHOGHIQCEN-UHFFFAOYSA-N 349.297 4.553 0 40 EJAB COc1ccc(NC(=S)NC2CCCCCCC2)c2cccnc12 225518495 VLEBFUJLHVAWOG-UHFFFAOYSA-N 343.496 4.643 0 40 EJAB CCc1ccc(NC(=S)NCCCc2ccccc2Cl)cc1 225540025 ANCDDZFGSMLKQG-UHFFFAOYSA-N 332.900 4.822 0 40 EJAB COc1cc(C)c(C(=O)N[C@@H](C)c2ccccc2OC)cc1C(C)C 225671300 MIENCDFOQZAKET-HNNXBMFYSA-N 341.451 4.627 0 40 EJAB COc1cccc(-c2nc(O)c3c4c(sc3n2)CCCCCC4)c1 408992279 SSHHCMBFUCFRIG-UHFFFAOYSA-N 340.448 4.732 0 40 EJAB c1ccc2c(c1)CCC[C@@H]2c1noc(-c2nccc3ccccc23)n1 546999595 UQDVIVIFQDOAQO-SFHVURJKSA-N 327.387 4.753 0 40 EJAB Oc1ccccc1-c1nnc(SCc2c(F)cccc2Cl)o1 422727 HZUSFTRJHVLESV-UHFFFAOYSA-N 336.775 4.527 0 40 EJAB COc1ccc(C(=O)Oc2ccc(Cl)c3ccccc23)c(OC)c1 3281714 YRNCEYCZROUUPN-UHFFFAOYSA-N 342.778 4.730 0 40 EJAB O=C(Nc1nc2c(ccc3ccccc32)s1)c1c(F)cccc1F 4071283 UNIFVYXFUWQKFC-UHFFFAOYSA-N 340.354 4.980 0 40 EJAB CCC(=O)Oc1ccc2oc(=O)c(-c3ccc(Cl)cc3)c(C)c2c1 4340697 WQAXGWZCNPCXPI-UHFFFAOYSA-N 342.778 4.737 0 40 EJAB biogenic CCN(CC)c1ccc(NC(=O)c2cccc(OCC(C)C)c2)cc1 4746936 WRLRJBQLYVVKGP-UHFFFAOYSA-N 340.467 4.820 0 40 EJAB Cc1cccc(N2[C@H](c3ccccc3)c3ccc(C)cc3N[S@@]2=O)c1 5760592 SIHHBEUKPBURLF-PXDATVDWSA-N 348.471 4.904 0 40 EJAB O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1cccnc1 5842744 UEKQICRBQVLSRU-UHFFFAOYSA-N 332.447 4.802 0 40 EJAB CC(C)Cc1ccc([C@H](C)c2nc3c4ccccc4ncn3n2)cc1 6939612 QJCQBVUQVAPETK-HNNXBMFYSA-N 330.435 4.628 0 40 EJAB O=C(CCc1ccc(-c2ccccc2)o1)N1CC[C@H]2CCCC[C@H]2C1 7980274 LZIRJKRXAAUVDB-MJGOQNOKSA-N 337.463 4.918 0 40 EJAB Cc1ccc(-n2ncc3c(NC4CCCCC4)ncnc32)cc1Cl 8583076 XFCVIQCBBFYBJC-UHFFFAOYSA-N 341.846 4.522 0 40 EJAB Cc1cc(Nc2ccc(C(=O)O)cc2)nc(-c2ccc(Cl)cc2)n1 8702979 JOKCGLORYCDECA-UHFFFAOYSA-N 339.782 4.547 0 40 EJAB Cc1ccc(NC(=O)[C@@H](C)Sc2ccc(C(F)(F)F)cn2)cc1 8706714 DFKLHBOAWQHISU-LLVKDONJSA-N 340.370 4.528 0 40 EJAB CC[C@H]1CCCCN1Cc1c(C)nc2c(OC)ccc(Cl)c2c1O 8717813 MBLHIKGDVPBSKF-ZDUSSCGKSA-N 348.874 4.675 0 40 EJAB CCCCc1c(C)[nH]c2c(-c3cccc4ccccc34)c(C)nn2c1=O 9935406 SMFDUPKSDMRQQF-UHFFFAOYSA-N 345.446 4.802 0 40 EJAB O=C1C[C@H](c2ccc(OCCc3ccccc3)cc2)c2sccc2N1 12376333 BLMBMTFPBYLALW-GOSISDBHSA-N 349.455 4.844 0 40 EJAB Cn1c(SCn2c(=S)oc3ccccc32)nc2ccccc21 13539734 QFNPINMVJAVCBT-UHFFFAOYSA-N 327.434 4.600 0 40 EJAB CCc1ccccc1NC(=S)Nc1ccc(OC(F)(F)F)cc1 13937632 HXDJYPTZLOMGPB-UHFFFAOYSA-N 340.370 4.957 0 40 EJAB O=C(CSCc1cccc(Cl)c1)NCc1ccc(Cl)cc1 16024402 KZCVZJLVOWNECQ-UHFFFAOYSA-N 340.275 4.543 0 40 EJAB Cc1cccc(O[C@H](C)C(=O)N[C@@H](CC(C)C)c2ccccc2)c1C 20108955 REFZQPRIVJCCMR-QUCCMNQESA-N 339.479 4.974 0 40 EJAB CCSc1ccccc1NC(=O)CSc1ccc(OC)cc1 20454224 OPPPDDYIEIAJNS-UHFFFAOYSA-N 333.478 4.538 0 40 EJAB Cc1cccc(-n2nc(C)c3c2C[C@H](c2ccc(F)cc2)CC3=O)c1 20632881 JRFMSTXBNHGWBS-INIZCTEOSA-N 334.394 4.541 0 40 EJAB Cc1ccc(-n2nc(C)c3c2C[C@@H](c2cccc(C)c2)CC3=O)cc1 20633020 VXFBVNWDDDKFBH-GOSISDBHSA-N 330.431 4.710 0 40 EJAB CCOC(=O)Nc1cccc(Oc2ncnc3sc(C)c(C)c23)c1 23380934 ZHNWHCHTIZHKMW-UHFFFAOYSA-N 343.408 4.669 0 40 EJAB COc1ccc2cc(CN[C@H](C)c3ccc(F)c(F)c3)ccc2c1 25361187 IYYNWCXOEYOZEV-CYBMUJFWSA-N 327.374 4.977 0 40 EJAB CC(C)CNC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1 26159840 ZBZXWOCYPGXYNE-UHFFFAOYSA-N 348.446 4.713 0 40 EJAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCCCc1ccc(C)cc1 30865984 LQXCZGOSGUOFOO-GOSISDBHSA-N 345.870 4.555 0 40 EJAB CCCN(CCC)C(=O)c1sc(COc2ccc(C)cc2)nc1C 36107976 BEYBCICFDJDJTD-UHFFFAOYSA-N 346.496 4.601 0 40 EJAB OC1=Nc2nc(N3CCCCC3)sc2[C@H](c2ccc(F)c(F)c2)C1 36357592 RPVPCUACIMZHKF-NSHDSACASA-N 349.406 4.535 0 40 EJAB CN(Cc1ccccc1)C(=O)c1ccc(-c2nc3ccccc3s2)o1 36618055 VNFGFHCKMFPNKC-UHFFFAOYSA-N 348.427 4.829 0 40 EJAB C/C=C/c1ccc(OCc2noc(-c3ccc(C)cc3)n2)c(OC)c1 40051532 ONPHZEHLYVFXHX-SNAWJCMRSA-N 336.391 4.666 0 40 EJAB Cc1ccccc1[C@@H]1CCCN1C(=O)Nc1cccc(-n2cccn2)c1 40152290 VQHZPEAPUMMJNB-FQEVSTJZSA-N 346.434 4.550 0 40 EJAB CCc1cccc(CC)c1NC(=O)c1ccc(-n2cc(C)cn2)cc1 42568195 INGDAFZEMMYYGI-UHFFFAOYSA-N 333.435 4.558 0 40 EJAB Cc1ccc(CN(C)C(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 44843779 IRXJMOIWXIXYJT-QGZVFWFLSA-N 339.479 4.718 0 40 EJAB CCN(C(=O)c1nc(-c2cccs2)oc1C)c1ccccc1C 48374757 FHXOEEICIBLJAV-UHFFFAOYSA-N 326.421 4.687 0 40 EJAB C[C@@H](c1nc2ccccc2s1)N(C)Cc1ccc(-n2cccn2)cc1 52661803 YCGUEYOFIZCUCV-HNNXBMFYSA-N 348.475 4.675 0 40 EJAB CSc1ccsc1C(=O)Nc1cccc(NC(=O)C(C)(C)C)c1 69518692 KBBCHEALDQLVSP-UHFFFAOYSA-N 348.493 4.707 0 40 EJAB CCCCNc1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)cn1 72213687 YTVLNXKCFWJYOJ-MRXNPFEDSA-N 333.476 4.756 0 40 EJAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)Nc1ccc(Br)cc1Cl 102311397 ZJZJTRPNAOTIGK-GARJFASQSA-N 342.664 4.867 0 40 EJAB C[C@H](NC(=O)/C=C/c1ccc(Cl)cc1Cl)[C@@H]1C[C@H]2CC[C@H]1C2 107450062 LYTBYJYOGOTVFB-FJKFNBLSSA-N 338.278 4.948 0 40 EJAB CCc1ccc(NC(=O)c2ccc(Nc3nc(C)cc(C)n3)cc2)cc1 170583870 CEKLRJGZPJFFBN-UHFFFAOYSA-N 346.434 4.652 0 40 EJAB COC(=O)c1cc(Cl)c(-c2cc3ccccc3oc2=O)c(Cl)c1 216935636 QGKXQKMRICEQIK-UHFFFAOYSA-N 349.169 4.553 0 40 EJAB CC(C)(C)c1ccc(OCCNC(=O)Nc2cccc(Cl)c2)cc1 223657247 MFLKZZRILXGDGB-UHFFFAOYSA-N 346.858 4.838 0 40 EJAB CCCCCNC(=O)c1ccc(OC)c(COc2ccccc2C)c1 224103327 XEECKXBEJBLNQZ-UHFFFAOYSA-N 341.451 4.503 0 40 EJAB O=C(O)[C@H](Cc1cccc(Cl)c1)Oc1ccc2ccccc2c1 225059834 VBOYMCUCDJETJG-SFHVURJKSA-N 326.779 4.568 0 40 EJAB Cc1ccc(O[C@@H](Cc2cc(Cl)cc(Cl)c2)C(=O)O)cc1C 225091705 QIKYIHHUWLPWEQ-INIZCTEOSA-N 339.218 4.685 0 40 EJAB C1=C(C2=CCN(Cc3ccccc3)CC2)CCN(Cc2ccccc2)C1 255190011 UJJHCFCHSDDFDF-UHFFFAOYSA-N 344.502 4.651 0 40 EJAB CC1(C)Nc2c(C(=O)O)cc(F)cc2-c2c1ssc2=S 618257511 YTOJICWEPRFWBB-UHFFFAOYSA-N 327.427 4.704 0 40 EJAB Cc1ccc2c(c1)[C@@H](NC(=O)CCc1c[nH]c3ccccc13)CCC2 1584169315 QVTLXOAOWDTMIR-NRFANRHFSA-N 332.447 4.603 0 40 EJAB CCOc1ccc(NC(=O)C[C@@H](C)Cc2cc(C)cc(C)c2)cc1 35493 SOTXQAFVNRHFML-KRWDZBQOSA-N 325.452 4.910 0 40 EJAB O=C(NCCc1ccc(Cl)cc1)c1ccc(F)c2ccccc12 36006 HDBXIZJSZIGFPS-UHFFFAOYSA-N 327.786 4.605 0 40 EJAB COC(=O)c1sc2ccccc2c1NC(=O)c1cccc(Cl)c1 190389 RBEKLTPZZZYCSP-UHFFFAOYSA-N 345.807 4.594 0 40 EJAB COc1ccc(OC)c(NC(=O)c2ccc(-c3cccs3)cc2)c1 1397025 SKPLJKVGLFKXEK-UHFFFAOYSA-N 339.416 4.685 0 40 EJAB COC(=O)[C@H](CC(=O)c1ccc(Cl)cc1)c1ccc(C(C)C)cc1 1397643 RGPWQHRBJXQEEG-GOSISDBHSA-N 344.838 4.993 0 40 EJAB O=C(Cc1ccccc1Br)c1cccc(C(F)(F)F)c1 2393029 CJEARCZMEJWKBZ-UHFFFAOYSA-N 343.142 4.893 0 40 EJAB C[C@H](OC(=O)c1cc(F)cc(F)c1)C(=O)c1ccc(C(C)(C)C)cc1 3422259 LSYSKSDFGIUWOW-LBPRGKRZSA-N 346.373 4.691 0 40 EJAB CCCCNC(=O)OC[C@@]12CO[C@H](CCC)[C@@H](C(C)=C[C@@H]1C)[C@H]2C 4025456 FGCOUMUUNRBVMZ-JAYZULETSA-N 337.504 4.546 0 40 EJAB biogenic Clc1ccc(OCCn2c([C@@H]3CCCO3)nc3ccccc32)cc1 4386873 GDZOUSMZUPCUTB-SFHVURJKSA-N 342.826 4.620 0 40 EJAB O=C(Nc1nnc(/C=C/c2ccccc2)s1)c1ccc(Cl)cc1 4681526 UMPDCBCJPHAKRV-IZZDOVSWSA-N 341.823 4.614 0 40 EJAB CCCc1cc(C(=O)Nc2ccc3c(c2)oc2ccccc23)n(C)n1 4770128 HOIGDBXXXNTCRD-UHFFFAOYSA-N 333.391 4.524 0 40 EJAB CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)N(C)Cc1cccc(F)c1 6489803 OHCCMVJVEZHNJA-HZPDHXFCSA-N 342.458 4.798 0 40 EJAB Cc1ccc(OCCCCSCc2nc3ccccc3[nH]2)cc1 6752632 QUJJELOIZAZXRK-UHFFFAOYSA-N 326.465 4.964 0 40 EJAB Cc1[nH]c2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)cc2c1C 6757898 MDDVQTOVURPPAA-UHFFFAOYSA-N 346.474 4.880 0 40 EJAB CC(C)Nc1nnc(SCc2ccccc2C(F)(F)F)s1 8708553 UBBYOUGIQQHUEG-UHFFFAOYSA-N 333.404 4.670 0 40 EJAB Cc1cccc(CCCNC(=O)/C(=C/c2ccco2)c2ccccc2)c1 10110633 BSHQHSDVQHSAFN-OQKWZONESA-N 345.442 4.878 0 40 EJAB Cc1cc2cc(CNc3cccc4ccccc34)c(=O)[nH]c2cc1C 12493447 NOBVYMPMHOSWCY-UHFFFAOYSA-N 328.415 4.910 0 40 EJAB CCN(C(=O)c1ccc(C)cc1)c1nc2cc(Cl)ccc2s1 12919642 BXBVAVSBNVXRQX-UHFFFAOYSA-N 330.840 4.925 0 40 EJAB c1csc(-c2nc(NC3CCCC3)ncc2-c2ccsc2)n1 13268368 COUTZQAZHPQVIL-UHFFFAOYSA-N 328.466 4.683 0 40 EJAB Fc1cc(F)cc(CN(Cc2cccnc2)Cc2ccccc2F)c1 13569008 HKCPPDHGPFCVCO-UHFFFAOYSA-N 342.364 4.701 0 40 EJAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2SC(F)F)cc1 14603161 RKQIFZMCRDMGFZ-LBPRGKRZSA-N 337.391 4.716 0 40 EJAB C[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccccc1Cl 14914716 YXEHAXADKUQYJW-NSHDSACASA-N 340.275 4.790 0 40 EJAB C[C@H](CN(C)Cc1c([C@@H]2CCCO2)[nH]c2ncccc12)c1ccccc1 19455975 ISYWFVNUMGRPOM-UZLBHIALSA-N 349.478 4.650 0 40 EJAB COc1ccc([C@@H](CC(C)C)NC(=S)Nc2ccccc2)cc1 20450765 PINMJDOFJXMRFE-GOSISDBHSA-N 328.481 4.769 0 40 EJAB Cc1ccc(-c2c(C)nn3c(N4C[C@@H](C)C[C@H](C)C4)cc(C)nc23)cc1 23114989 UOCLXXZZGUZRGQ-HOTGVXAUSA-N 348.494 4.804 0 40 EJAB Cc1ccc([C@H](C)NC(=O)c2ccccc2Br)c(C)c1 30849153 QIOALPSLZHIUOH-ZDUSSCGKSA-N 332.241 4.557 0 40 EJAB O[C@@H](COc1cccc2ccccc12)CSc1ccc(F)c(F)c1 32751129 WPVQEASUAMKUSX-AWEZNQCLSA-N 346.398 4.650 0 40 EJAB CN(Cc1ccc(F)c(F)c1)Cc1csc(Nc2ccccc2)n1 32760737 SLMSTMZLKKZOSS-UHFFFAOYSA-N 345.418 4.797 0 40 EJAB COP(=O)(OC)Oc1cc(Cl)c(Br)cc1Cl 33986136 NVQPSHLVNDJYGG-UHFFFAOYSA-N 349.932 4.536 0 40 EJAB COCc1cccc(NC(=O)N2CCCCC[C@H]2c2ccco2)c1 77264461 OTOFYFFHJWPXQQ-KRWDZBQOSA-N 328.412 4.575 0 40 EJAB COc1ccccc1-c1cnc(CNc2cccc(Cl)c2C)o1 80755681 XLZMWKZOUFRCGI-UHFFFAOYSA-N 328.799 4.924 0 40 EJAB Cc1cccc(C)c1-n1c(C)nnc1-c1ccc(Br)cc1 84847509 BRDRVRSFOWPFQM-UHFFFAOYSA-N 342.240 4.622 0 40 EJAB CC1=Nc2c(c(=O)[nH]n2C2CCCCC2)[C@H](c2ccsc2)S1 85411939 HWQVBVGIOGOJBD-AWEZNQCLSA-N 333.482 4.629 0 40 EJAB Cc1ccsc1[C@H](C)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 95420396 KOVGTQYCOJCTMY-KGLIPLIRSA-N 343.496 4.752 0 40 EJAB Cc1ccc(O[C@H](C)C(=O)NCc2ccc3ccccc3c2)c(C)c1 222801217 PZFFXNCEGLZJLI-QGZVFWFLSA-N 333.431 4.540 0 40 EJAB Cc1ccc(CCC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1C 223001015 PLOAEBIBCFKKFH-SFHVURJKSA-N 335.491 4.992 0 40 EJAB CCc1ccc([C@@H](C)NC(=O)[C@@H](CC)Oc2cc(C)ccc2C)cc1 224796914 GMWLLEHIAUAJLX-YLJYHZDGSA-N 339.479 4.901 0 40 EJAB COc1ccc(C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1F 225390160 HROAVKZBDNXWPB-CYBMUJFWSA-N 329.415 4.623 0 40 EJAB Cc1ccnc(NC(=S)N[C@H](C)c2ccc(C(C)(C)C)cc2)c1 225409024 DLZACOPPXQOKTH-CQSZACIVSA-N 327.497 4.735 0 40 EJAB CCCCc1ccc(Nc2ccc(N)cc2C(=O)OCCC)cc1 225493145 NEAJEGCPGXNGOC-UHFFFAOYSA-N 326.440 4.922 0 40 EJAB Fc1cccc(NC(=S)NCCCc2cccc3ccccc23)c1 225808619 UGKITVHKZKKJEV-UHFFFAOYSA-N 338.451 4.898 0 40 EJAB C[C@H]1CC(=O)N(C)c2ccc(N[C@@H](C)c3ccc(F)c(F)c3)cc21 629269873 BMCHGFZUVHWHJD-RYUDHWBXSA-N 330.378 4.608 0 40 EJAB COc1ccc(NC(=O)COc2cc(C)ccc2C(C)C)cc1Cl 266852 LBNJOEYGEFZKGC-UHFFFAOYSA-N 347.842 4.798 0 40 EJAB CC(C)(C)c1csc(NC(=O)COc2ccc3ccccc3c2)n1 412641 GSUXEMMXMRHQQD-UHFFFAOYSA-N 340.448 4.611 0 40 EJAB CCc1ccccc1Nc1ncnc2c1cnn2-c1ccc(C)cc1C 425630 PVXWYGAEIHSHPP-UHFFFAOYSA-N 343.434 4.738 0 40 EJAB CC(C)Oc1ccc(CNC(=O)C[C@H](c2ccco2)C(C)C)cc1 489319 OZSKKVJNZIVVQO-SFHVURJKSA-N 329.440 4.513 0 40 EJAB biogenic O=C(CCc1cc(F)c(F)c(F)c1)c1cccc(Br)c1 2517849 LMSNRUSPVACORU-UHFFFAOYSA-N 343.142 4.682 0 40 EJAB CCN(C(=O)CSc1nc2ccccc2s1)C1CCCCC1 3228622 LRUMFXKKWUCSLH-UHFFFAOYSA-N 334.510 4.570 0 40 EJAB Cc1nc2ccccc2nc1SCc1cc2c(cc1Cl)OCO2 3656804 AEJYKUKKWFOFKW-UHFFFAOYSA-N 344.823 4.613 0 40 EJAB Cc1ccc(NC2=NC(=O)[C@H](Cc3cccc(Cl)c3)S2)cc1C 5812897 CTMKRZUJUUERED-INIZCTEOSA-N 344.867 4.609 0 40 EJAB O=S(=O)(Nc1cccc(Cl)c1)c1ccc(-c2ccccc2)cc1 5902872 NHIIRIBYKWKPIL-UHFFFAOYSA-N 343.835 4.808 0 40 EJAB O=C(c1ccc(-c2nc3ccccc3s2)o1)N1CCc2ccccc21 8277836 GGKXPRMIUWJTKV-UHFFFAOYSA-N 346.411 4.759 0 40 EJAB COc1cccc(C(=O)N2c3c(OC)cccc3C(C)=CC2(C)C)c1 10157732 JLTSVLAASBVKRB-UHFFFAOYSA-N 337.419 4.546 0 40 EJAB Cc1cc(NC(=O)c2ccc(Cc3ccccc3)cc2)n(C(C)C)n1 11695179 KXRJWJSOZMCQKY-UHFFFAOYSA-N 333.435 4.616 0 40 EJAB O=C(CCNc1ccc(OCc2ccccc2)cc1)c1ccccc1 12376540 LYTDEOUWCURYPM-UHFFFAOYSA-N 331.415 4.951 0 40 EJAB CCCCn1c([C@H]2CC(=O)N(c3ccccc3C)C2)nc2ccccc21 12411039 XPLWOCKRSVYTIF-KRWDZBQOSA-N 347.462 4.665 0 40 EJAB O=C(NCCc1c[nH]c2ccccc12)c1cc2cc(Cl)ccc2o1 12895627 UZLKFGQNSASHGT-UHFFFAOYSA-N 338.794 4.540 0 40 EJAB biogenic CCCc1ccc2nc3c(cc2c1)CN(Cc1ccccc1)CCO3 13563747 DELVWYGTVXSGBI-UHFFFAOYSA-N 332.447 4.582 0 40 EJAB O=C(/C=C/c1ccccc1)OCC(=O)c1ccc(-c2ccccc2)cc1 15275951 WYMPRWNURRNCFT-LFIBNONCSA-N 342.394 4.793 0 40 EJAB CN(CCOc1ccccc1)C(=O)c1ccccc1Oc1ccccc1 18072858 VMIQBRKRWKDJPB-UHFFFAOYSA-N 347.414 4.630 0 40 EJAB Cc1nc2cc(N[C@@H](C)C(=O)Nc3ccc4ccccc4c3)ccc2o1 21794884 CEJAJHGROCFOEA-ZDUSSCGKSA-N 345.402 4.729 0 40 EJAB CCOc1ccc(-c2nc(NC(=O)c3ccoc3C)sc2C)cc1 24762483 LHILZKWJRVHDEN-UHFFFAOYSA-N 342.420 4.671 0 40 EJAB COc1ccc(-n2c(SCc3cccnc3)nc3ccccc32)cc1 27776753 IYQINFKCFIIOMK-UHFFFAOYSA-N 347.443 4.721 0 40 EJAB CC[C@H](NC(=O)c1c(C)nn(-c2ccccc2)c1C)c1ccc(C)cc1 28237383 ARZRKDKBGCRGCY-FQEVSTJZSA-N 347.462 4.679 0 40 EJAB COC(=O)c1c(-c2csc(-c3ccco3)n2)c(C)n(C2CC2)c1C 32900785 REHBKWQPNUEJAZ-UHFFFAOYSA-N 342.420 4.610 0 40 EJAB COc1cccc(/C=C/C(=O)N(C)[C@H](C)c2cc3ccccc3o2)c1 40056977 GPSBPOPBZDEJDD-AYJWMTRPSA-N 335.403 4.674 0 40 EJAB O[C@@H](c1cccc(Br)c1)c1ccc(Cl)c(Cl)c1 40260243 XWBCGROLNAATIW-ZDUSSCGKSA-N 332.024 4.838 0 40 EJAB C[C@@H](NCc1csc(-c2ccccn2)n1)c1ccc(Cl)cc1 40487734 KHQWMNSBAJNSSJ-GFCCVEGCSA-N 329.856 4.709 0 40 EJAB CC(C)c1ccc([C@@H](O)CN2C(=O)c3cccc4cccc2c34)cc1 51289186 HCVOHJBPKGCYNR-FQEVSTJZSA-N 331.415 4.657 0 40 EJAB Cc1ccc(CN(C)Cc2cc(=O)oc3cc(C)c(Cl)cc23)cc1 58167026 ZRMMSXNSQYOQIJ-UHFFFAOYSA-N 341.838 4.695 0 40 EJAB Cc1ccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(C)c(C)c2)cc1C 59351223 ABXSXFGGMCGFNZ-ROUUACIJSA-N 325.452 4.565 0 40 EJAB Cc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1C 59351229 DGWGOSBHPFXGSE-ZWKOTPCHSA-N 325.452 4.565 0 40 EJAB CC(C)(NC(=O)CCc1ccco1)c1ccc(Cl)c(Cl)c1 62580404 ZBKDODFCHZSOMR-UHFFFAOYSA-N 326.223 4.571 0 40 EJAB Cc1cc(C)cc(C2(C(=O)N(C)c3ccc(F)c(F)c3)CCC2)c1 65846729 WTIDZKCVVORBGI-UHFFFAOYSA-N 329.390 4.666 0 40 EJAB CC(C)(C)C(=O)Nc1ccc(O)c(-c2nc3cc(Cl)ccc3o2)c1 70462077 DEUHTSLMVQYJHT-UHFFFAOYSA-N 344.798 4.838 0 40 EJAB OC1=Nc2c(cnn2Cc2cccs2)[C@@H](c2ccccc2Cl)C1 72403066 VOWQPGMJOLDFLF-CYBMUJFWSA-N 343.839 4.770 0 40 EJAB C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)C1=CCCC1 95414597 RXZPWCUINJJIQI-MRXNPFEDSA-N 348.446 4.569 0 40 EJAB Cc1c([C@H]2Nc3ccccc3N=C3CC(C)(C)CC(O)=C32)cnn1C 100642189 MVVMUSDUXLNKBD-LJQANCHMSA-N 336.439 4.600 0 40 EJAB C[C@@H](NC(=O)c1ccc(OC2CCCC2)cc1)[C@H]1C[C@@H]2CC[C@@H]1C2 101987509 GDIISEFXYHACFU-MXHNKVEKSA-N 327.468 4.563 0 40 EJAB CCSc1ccccc1C(=O)NCc1cccc(C(F)(F)F)c1 223075552 CGGVWCNZEBCHIB-UHFFFAOYSA-N 339.382 4.747 0 40 EJAB CC[C@H](Oc1ccc(C)cc1)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 223227836 SCHWGUJJYQKXLD-IERDGZPVSA-N 337.463 4.519 0 40 EJAB O=C(O)[C@@H](Cc1ccccc1F)Oc1ccc(-c2ccccc2)cc1 225051157 BKBLSQRHFXPPRL-HXUWFJFHSA-N 336.362 4.567 0 40 EJAB O=C(CCc1c(Cl)cccc1Cl)Nc1c(F)cccc1F 225352382 CVTIPORTMKZMEJ-UHFFFAOYSA-N 330.161 4.843 0 40 EJAB C[C@@H]1Cc2ccccc2N1C(=O)CCc1ccc(Cl)cc1Cl 225373518 KXIMSNOFGIZZCD-GFCCVEGCSA-N 334.246 4.904 0 40 EJAB COc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)cc1C 225545891 NVDXIDDUUXICQZ-UHFFFAOYSA-N 341.426 4.983 0 40 EJAB COc1ccc(NC(=O)C(C)(C)Cc2ccc(Cl)cc2)cc1OC 225943223 HDKUGKCLHPOSFV-UHFFFAOYSA-N 347.842 4.565 0 40 EJAB Cc1cc(C(C)(C)C)cc(C)c1CNc1ccc(C(N)=O)c(Cl)c1 506093303 IYIXVJSIANDSKK-UHFFFAOYSA-N 344.886 4.965 0 40 EJAB Cc1cc(C(C)(C)C)cc(C)c1CSc1ncnc2[nH]cnc12 386467 NSYXQZGCPBFVOA-UHFFFAOYSA-N 326.469 4.560 0 40 EJAB S=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc2c(c1)OCO2 3120174 ZCWSNMREDJRIFB-UHFFFAOYSA-N 341.219 4.531 0 40 EJAB Cc1ccc(-n2c(SC/C=C/Cl)nc3ccccc3c2=O)cc1 3252944 VIOWWMHVRMHCMB-NYYWCZLTSA-N 342.851 4.539 0 40 EJAB COc1ccccc1[C@H](C)NC(=O)C(c1ccccc1)c1ccccc1 3486871 UIBAGOQDCZGSRF-KRWDZBQOSA-N 345.442 4.705 0 40 EJAB O=S(=O)(Oc1ccc2ccccc2c1)c1ccc2ccccc2c1 4666861 SLKHJUJSDBIQRZ-UHFFFAOYSA-N 334.396 4.761 0 40 EJAB CCCCC(=O)Nc1ccc(C(=O)Nc2ccccc2Cl)cc1 4723587 GMCJUSCENPSVFA-UHFFFAOYSA-N 330.815 4.721 0 40 EJAB CC(=O)c1cccc(NC(=O)c2ccc(Oc3ccccc3)cc2)c1 6376984 KPNQJXZUJFBYHK-UHFFFAOYSA-N 331.371 4.934 0 40 EJAB CCOc1cc(CNC2CCCCCCC2)cc(Cl)c1OC 7523462 RQFBDBPBOQLOGR-UHFFFAOYSA-N 325.880 4.950 0 40 EJAB Cc1ccc(NC(=O)c2sc(-c3ccsc3)nc2C)cc1F 7954185 BPICEYMNVPGNTL-UHFFFAOYSA-N 332.425 4.880 0 40 EJAB Cc1cc2c(cc1C)CN(CC(=O)Nc1cc(Cl)cc(Cl)c1)C2 8367533 JRISJKLGNNIUSB-UHFFFAOYSA-N 349.261 4.565 0 40 EJAB CCOc1ccc([C@@H](C)NC(=O)c2cc3ccccc3cc2OC)cc1 11169959 IAQFKZRCNDLKIR-OAHLLOKOSA-N 349.430 4.738 0 40 EJAB O=C1C[C@H](c2cccc(OCc3ccccc3)c2)c2sccc2N1 12376559 XJQZOYYOGIKBEM-QGZVFWFLSA-N 335.428 4.801 0 40 EJAB Fc1ccc(-c2cnc(SCc3cc(-c4ccco4)on3)[nH]2)cc1 12507022 HWMAIWVYOCLSRQ-UHFFFAOYSA-N 341.367 4.756 0 40 EJAB C[C@@H](NC(=O)c1cc(Cl)ccc1F)c1cccc(C(F)(F)F)c1 12698473 XOSKWJMVRSKZCR-SECBINFHSA-N 345.723 4.989 0 40 EJAB Cc1ccc(/C=C/C(=O)NCCSCc2ccccc2Cl)cc1 14155486 SSRFVRCAWYZPGA-ZHACJKMWSA-N 345.895 4.711 0 40 EJAB CC[C@H](C)c1ccccc1NC(=O)CN1CCc2sccc2[C@@H]1C 14247203 QJBOLBSXTIZPLP-GJZGRUSLSA-N 342.508 4.819 0 40 EJAB CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(C)c(C)c2)c1 14258465 ALNITQLXPUKUFF-UHFFFAOYSA-N 330.815 4.558 0 40 EJAB CC1CCN(c2ccc(NC(=O)/C=C/c3ccco3)cc2Cl)CC1 14268862 BYJONSQQIHPOAY-FNORWQNLSA-N 344.842 4.821 0 40 EJAB COc1cc(C)c(NC(=O)CCCSc2ccccc2)cc1OC 15948874 CBSUHNBXHDWMLR-UHFFFAOYSA-N 345.464 4.523 0 40 EJAB Fc1ccc(CCNCc2cccc(OCc3ccccc3)c2)cc1 16480711 ZZFRVUPRGJMDNX-UHFFFAOYSA-N 335.422 4.737 0 40 EJAB C[C@H]1CCCC[C@H]1NC(=O)Cc1csc(-c2cccc(Cl)c2)n1 36779214 BLYSIBHXMVGQDJ-BLLLJJGKSA-N 348.899 4.701 0 40 EJAB CC[C@H](NC(=O)c1ccc(Br)cc1)c1ccc(C)cc1 38771177 AFFBOSBAAKJFGF-INIZCTEOSA-N 332.241 4.639 0 40 EJAB C[C@H](NC(=O)Nc1cccc(OC(F)(F)F)c1)c1cccs1 44018092 QCBIKJKOHXSXHT-VIFPVBQESA-N 330.331 4.529 0 40 EJAB CC(C)c1noc([C@H](C)N2Cc3ccccc3[C@H](c3ccccc3)C2)n1 48326550 NRRWEHNEJWEKSD-JXFKEZNVSA-N 347.462 4.902 0 40 EJAB Cc1ccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(C)c(C)c2)c(C)c1 59351397 GCHCJIDKUSZWDW-MSOLQXFVSA-N 325.452 4.565 0 40 EJAB CC(C)Oc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cc1 59738098 OWXXWOWMARAHAY-UHFFFAOYSA-N 338.234 4.711 0 40 EJAB CC(C)c1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2)cc1 64580996 XBBMHEPGJLCVDT-UHFFFAOYSA-N 339.826 4.901 0 40 EJAB S=C(NCc1csc2ccccc12)Nc1ccc2c(c1)CCC2 64892952 YSIWOPUQDBRIMY-UHFFFAOYSA-N 338.501 4.877 0 40 EJAB C[C@H](N[C@H](C)c1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1 69514817 VSAZFLLOXDCXET-QWHCGFSZSA-N 327.815 4.802 0 40 EJAB Cc1cc(F)ccc1NC(=S)Nc1cccc(OC(F)(F)F)c1 71326278 AJIXOBNYNUQCGJ-UHFFFAOYSA-N 344.333 4.842 0 40 EJAB CC(C)CN1CCCC[C@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 72214341 YDMLKMFGJDTJEX-INIZCTEOSA-N 333.476 4.612 0 40 EJAB Cc1cc(C)c(/C=C/S(=O)(=O)Nc2ccc(Cl)cc2)c(C)c1 96137044 OGEQDNIABLNPOK-CMDGGOBGSA-N 335.856 4.678 0 40 EJAB Cc1ccccc1-c1nn2c(-c3oc4ccccc4c3C)nnc2s1 96194086 ZJFKZUGBKRMYCH-UHFFFAOYSA-N 346.415 4.883 0 40 EJAB CCOC(=O)/C=C/c1cccc(OCc2ccc(F)cc2Cl)c1 216896161 SNZLLIGUOUQSHB-RMKNXTFCSA-N 334.774 4.634 0 40 EJAB CCOC(=O)c1cc(Cl)c2[nH]c(-c3cccc(Cl)c3)nc2c1 216921964 RRPRGPYYLJDYIN-UHFFFAOYSA-N 335.190 4.713 0 40 EJAB O=C(Nc1ccccc1Sc1ccccc1)c1cnc(C2CC2)nc1 222599406 MMJSOLUGAPEPIG-UHFFFAOYSA-N 347.443 4.758 0 40 EJAB CC[C@@H](NC(=O)/C=C/c1ccccc1Cl)c1ccc(OC)c(C)c1 225688121 RSEJHDYGGXSICH-NCUBBLFSSA-N 343.854 4.938 0 40 EJAB CC(C)Oc1nn(C)c2ccc(NC(=O)CCC3CCCCC3)cc12 227166788 UHMHRNCLYFRBHD-UHFFFAOYSA-N 343.471 4.660 0 40 EJAB COc1ccccc1O[C@@H](C)C(=O)Nc1c(C)cccc1C(C)C 408678908 KAKVCPKQFIKGPC-HNNXBMFYSA-N 327.424 4.533 0 40 EJAB O=C(CSc1cccc2ccccc12)Nc1ccc(F)c(F)c1F 409176717 VWZFGEBHDKEEQA-UHFFFAOYSA-N 347.361 4.988 0 40 EJAB CC(C)c1ccc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 409253015 YKANXHQOUGKGOE-GZTJUZNOSA-N 340.810 4.561 0 40 EJAB CC[C@H](C(=O)NCc1cc(-c2ccco2)cs1)c1ccccc1 1775968385 FEXZPTMOGXEDFO-KRWDZBQOSA-N 325.433 4.818 0 40 EJAB O=C(/C=C/c1ccc(Cl)cc1)Oc1ccc(Br)cc1 146689 DTAOCIFWZRCFSL-XCVCLJGOSA-N 337.600 4.721 0 40 EJAB biogenic Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(F)cc1 204661 ZOWOFQYCTGCLJO-UHFFFAOYSA-N 330.746 4.695 0 40 EJAB Cc1noc(C)c1CSc1ncnc2sc3c(c12)CCCCC3 351638 UDZUHRJILUIVED-UHFFFAOYSA-N 345.493 4.857 0 40 EJAB CC(=O)N1N=C(c2ccc(Cl)cc2)O[C@H]1c1ccc(C(C)C)cc1 2424826 WAIRJEDFUSEKGC-IBGZPJMESA-N 342.826 4.703 0 40 EJAB Cc1cc(C)c(C(=O)CSc2nnc(-c3ccccc3)o2)cc1C 2617832 QDFUMIDCDFOSLA-UHFFFAOYSA-N 338.432 4.637 0 40 EJAB CCCC(=O)Nc1scc(-c2ccc(C)c(C)c2)c1C(=O)OC 2889601 QBXKLPMGOXNJKG-UHFFFAOYSA-N 331.437 4.557 0 40 EJAB COc1ccc(/C=C/c2nccc3c2[nH]c2ccccc23)cc1OC 4000182 AUZVRTMJGUYBFC-VQHVLOKHSA-N 330.387 4.904 0 40 EJAB biogenic COc1ccc(NC(=O)c2ccc3ncsc3c2)c2ccccc12 4088460 ZETZLUJLHDJMPO-UHFFFAOYSA-N 334.400 4.710 0 40 EJAB Cc1ccc(NC(=O)COc2cccc3ccc(C)nc23)c(Cl)c1 5468626 YKUJUHKGYFDYIK-UHFFFAOYSA-N 340.810 4.523 0 40 EJAB Cc1nc(C)c(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)s1 5921717 RJUZZMFOPZTIKZ-UHFFFAOYSA-N 349.868 4.789 0 40 EJAB c1ccc(-c2nn(-c3ccccc3)cc2CSc2ncccn2)cc1 6986831 SEYJSLBEGGTDDC-UHFFFAOYSA-N 344.443 4.622 0 40 EJAB COc1cccc(CSc2nnc(NC3CCCCC3)s2)c1 9498481 LDGNSBAMINUXQE-UHFFFAOYSA-N 335.498 4.584 0 40 EJAB Cc1ccc(SCCC(=O)NCCCc2cccc(C)c2)cc1 10110642 AHOYUODYELTQFM-UHFFFAOYSA-N 327.493 4.535 0 40 EJAB CCCCc1cc(C(=O)OCC(=O)c2ccccc2)c2ccccc2n1 12747082 XUXOOBDTUYPNDZ-UHFFFAOYSA-N 347.414 4.617 0 40 EJAB C(=C1\CCCC2=C1Nc1ncnn1[C@@H]2c1ccccc1)\c1ccccc1 13122965 SAYZCJZXFRGCCR-IYYMRFBLSA-N 340.430 4.815 0 40 EJAB Cc1nc2cc(NC(=O)CCSc3ccc(Cl)cc3)ccc2o1 15566920 UMBFRFVGHZKANN-UHFFFAOYSA-N 346.839 4.911 0 40 EJAB COc1cc(CO)cc(Cl)c1OCc1c(Cl)cccc1Cl 20595626 NPTYGSCOPPZMMW-UHFFFAOYSA-N 347.625 4.727 0 40 EJAB CCc1ccc(-c2nc(C)c(C(=O)Nc3cc(C)ccn3)s2)cc1 21877330 QQPHWHQJVBTCNN-UHFFFAOYSA-N 337.448 4.637 0 40 EJAB O=C(CCc1ccc(-c2ccccc2)o1)N1CCc2sccc2C1 22285435 UGMAQUGJBJFJGR-UHFFFAOYSA-N 337.444 4.526 0 40 EJAB O=C(c1ccc(Br)cc1F)N1CCC[C@@H]1c1ccccc1 22877883 XUBNYQFTYSVGBQ-MRXNPFEDSA-N 348.215 4.566 0 40 EJAB Cc1ccc(-c2c(C)nn3c(N4C[C@H](C)C[C@@H](C)C4)cc(C)nc23)cc1 23114985 UOCLXXZZGUZRGQ-HZPDHXFCSA-N 348.494 4.804 0 40 EJAB Cc1ccc2c(c1)CCCN2C(=O)c1nc(-c2ccccc2)oc1C 23654675 QNXRRLBOOSTTPD-UHFFFAOYSA-N 332.403 4.551 0 40 EJAB Cc1ccc(C)c(Sc2ncccc2C(=O)Nc2cccc(C)n2)c1 25320855 ZLNZAIWBCQQOER-UHFFFAOYSA-N 349.459 4.805 0 40 EJAB CCCCC(=O)NC[C@H](c1ccccc1Cl)N1CCCCCC1 27584010 BBOZOVPZWXTDHZ-GOSISDBHSA-N 336.907 4.564 0 40 EJAB CC[C@H](Oc1cccc(C)c1)C(=O)N[C@H](C)c1cc(C)ccc1C 30869931 XKIVLSNXQWPOCO-XLIONFOSSA-N 325.452 4.647 0 40 EJAB Cc1cccc(C)c1NC(=O)CSCCOc1ccc(Cl)cc1 31734848 TWKDEHQLMDSZJV-UHFFFAOYSA-N 349.883 4.708 0 40 EJAB CCN(C(=O)c1csc(Cc2ccccc2)n1)c1ccc(F)cc1 33159419 BLEWKMLQVARNOF-UHFFFAOYSA-N 340.423 4.540 0 40 EJAB Cc1cc2ccccc2n1CC(=O)Nc1ccc2oc(C(C)C)nc2c1 33216957 FCVIZQPCBFQGFB-UHFFFAOYSA-N 347.418 4.853 0 40 EJAB CC[C@@H](NC(=O)[C@@H](C)SCc1ccccc1)c1ccc(C)cc1 38755448 WHAFVUKYCVORCJ-VQIMIIECSA-N 327.493 4.884 0 40 EJAB CC(C)Oc1ccc([C@H]2CC(O)=Nc3c2cnn3C(C)(C)C)cc1 49546261 KXEPGXINPLSICV-OAHLLOKOSA-N 327.428 4.549 0 40 EJAB COc1ccc(C2(C(=O)Nc3nc(C)c(C)s3)CCCCC2)cc1 58429525 CYUATGVTUOIVCZ-UHFFFAOYSA-N 344.480 4.609 0 40 EJAB C/C(=C1\N=C(c2ccc(Cl)cc2)OC1=O)c1ccc(Cl)cc1 59488280 KDYRTSPERAUBGQ-XNTDXEJSSA-N 332.186 4.728 0 40 EJAB O=C(Nc1cccc(N2CCCCC2)c1)NC1(c2ccccc2)CCC1 63163207 UFDZBAHDQGQNOA-UHFFFAOYSA-N 349.478 4.878 0 40 EJAB Cc1nc(C)c(C(=O)NC(C)(C)c2ccc(Cl)c(Cl)c2)s1 64951527 VAAJYOKISTWNPG-UHFFFAOYSA-N 343.279 4.732 0 40 EJAB Cc1cc(CNC(=O)c2cc(C)sc2C)c2[nH]c(C)c(C)c2c1 65726181 DLAVXRNHJPVGTQ-UHFFFAOYSA-N 326.465 4.702 0 40 EJAB C[C@H](NCc1cc2cc(F)ccc2o1)c1cccc(-n2cccn2)c1 72925019 RNSXYCWRIQJGFT-AWEZNQCLSA-N 335.382 4.608 0 40 EJAB Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NCc1cccnc1 78553902 SNZFUDFUDCGXJO-GFCCVEGCSA-N 327.428 4.503 0 40 EJAB Cc1ccc([C@H](NCc2cccc3c2OCCCO3)C2CCCC2)o1 95462845 LGBCNMMUICBZAQ-HXUWFJFHSA-N 341.451 4.770 0 40 EJAB COc1ccc(-c2nc3n(n2)C2(CCCCC2)Nc2ccccc2-3)cc1 95946475 NSXNAGVYVANDCG-UHFFFAOYSA-N 346.434 4.663 0 40 EJAB CC[C@H](Oc1ccccc1)C(=O)N[C@@H](CC(C)C)c1ccccc1 222863866 VZDMSPTZURDHOB-PMACEKPBSA-N 325.452 4.748 0 40 EJAB O=C(CSCc1ccc(F)cc1)NCc1cccc2ccccc12 222869887 XHAYVFBMHSSCIR-UHFFFAOYSA-N 339.435 4.529 0 40 EJAB Cc1cc(C)c([C@H](C)NC(=O)CSCc2ccc(F)cc2)cc1C 223461248 LKQMPLODUWEEAG-INIZCTEOSA-N 345.483 4.862 0 40 EJAB Cc1cc(N)c(NC(=O)c2ccc(-c3ccc(F)cc3)o2)cc1Cl 226348239 GDQHWQYHHNHTAX-UHFFFAOYSA-N 344.773 4.882 0 40 EJAB COc1ccccc1[C@@H]1Nc2ccc(C(=O)O)cc2[C@@H]2[C@H]3CC[C@@H](C3)[C@H]12 245257960 IZWUCCUWLLDQMI-PPRBQIKUSA-N 349.430 4.690 0 40 EJAB O=C1O[C@@H](c2sc3ccccc3c2Cl)N/C1=C/c1cccs1 408731173 YFGKRIGKBCYZHR-SHQCLWGWSA-N 347.848 4.802 0 40 EJAB CCCn1c(Cc2ccccc2)nnc1SCc1ccc(C)cc1 409096188 FPSNFPVUKIEDKX-UHFFFAOYSA-N 337.492 4.880 0 40 EJAB CCC(=O)N(CC[C@H](c1ccccc1)c1ccco1)Cc1ccco1 490384 FUHPFSQPUSQHGY-LJQANCHMSA-N 337.419 4.833 0 40 EJAB biogenic Cc1cccc(NC(=O)COc2ccc(-c3ccccc3)cc2)c1C 2131911 DMFVUWURXHRNST-UHFFFAOYSA-N 331.415 4.988 0 40 EJAB O=C(c1ccc(CN2CCCCC2)cc1)c1ccc(F)cc1Cl 2514525 RXSHLAAHJUFXTJ-UHFFFAOYSA-N 331.818 4.696 0 40 EJAB Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cccnc2)cc1 4193113 AWPUZDKRLYGKLJ-IFMALSPDSA-N 341.414 4.632 0 40 EJAB CC(C)CCNC(=O)[C@H](C)Oc1cc(Cl)c(Cl)cc1Cl 4659263 HHVZPMLVRZZNIZ-VIFPVBQESA-N 338.662 4.576 0 40 EJAB CC(C)C(=O)Nc1ccc2oc(-c3ccc(F)cc3Cl)nc2c1 4723336 KHZOKLKYEQCYQB-UHFFFAOYSA-N 332.762 4.882 0 40 EJAB CCN(CC)c1ccc(NC(=O)Cc2coc3cc(C)ccc23)cc1 4896672 RPAQRIKBZPDKOA-UHFFFAOYSA-N 336.435 4.769 0 40 EJAB O=C(C[C@@H](C(=O)O)c1c(F)cccc1Cl)c1ccc(Cl)cc1 5344192 CVNAUENCSVSXRV-LLVKDONJSA-N 341.165 4.574 0 40 EJAB CCCCOc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)cc1 5597173 DOLFQBMAOFKTRN-ZDUSSCGKSA-N 344.480 4.699 0 40 EJAB Cc1ccc(C)c(-c2csc(NC(=O)CCc3ccccc3)n2)c1 6237573 SHWQSYFZFKSRNF-UHFFFAOYSA-N 336.460 4.998 0 40 EJAB O=c1[nH]c(/C=C/c2ccsc2)nc2sc(-c3ccccc3)cc12 6651181 XOZNNVJWIZBQBL-VOTSOKGWSA-N 336.441 4.884 0 40 EJAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1c(Cl)cccc1Cl 8477540 JWLNXYKGQHDLFO-CYBMUJFWSA-N 342.197 4.929 0 40 EJAB CCCCCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 9064358 GKHVRGPDOZQTTA-UHFFFAOYSA-N 328.378 4.824 0 40 EJAB O=C(Nc1nc2ccccc2[nH]1)c1ccccc1Oc1ccccc1 12533342 JMDDHPYCKQTRGL-UHFFFAOYSA-N 329.359 4.608 0 40 EJAB Cc1ccc(-c2nnc([C@H](C)Nc3ccc4oc(C)nc4c3)o2)cc1 15501752 JANZQKAIEXKSAK-LBPRGKRZSA-N 334.379 4.668 0 40 EJAB COc1cccc(C(=O)N[C@@H](c2ccccc2)c2ccccc2C)c1 20492913 TYGPPUQTSUTMIV-NRFANRHFSA-N 331.415 4.523 0 40 EJAB C[C@@H](NCc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1Cl 23218104 CLOIJYXXNRJLRC-LLVKDONJSA-N 348.233 4.894 0 40 EJAB COc1ccc(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)cc1Cl 30755164 KDSRHEBLOQBZSD-CQSZACIVSA-N 347.842 4.680 0 40 EJAB COc1cccc(Nc2c(-c3cccc(O)c3)nc3ccc(C)cn23)c1 35616242 ZBRUTSDWGKIYSC-UHFFFAOYSA-N 345.402 4.768 0 40 EJAB O[C@@H](c1ccc(Br)cc1)c1ccc(Cl)c(Cl)c1 40243303 BYBWTNINVMXBIH-ZDUSSCGKSA-N 332.024 4.838 0 40 EJAB C[C@@H]1CCCCN1C(=O)c1cccc2c(Br)cccc12 41127286 ZSJSYOZNUSEPLQ-GFCCVEGCSA-N 332.241 4.617 0 40 EJAB CCSc1ccccc1NC(=O)[C@H](C)Oc1ccccc1CC 44841231 GQAMNMUKXAJRPI-AWEZNQCLSA-N 329.465 4.767 0 40 EJAB CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2CC)cn1 72215102 GZJHLFLPPACLTO-DOTOQJQBSA-N 347.503 4.778 0 40 EJAB Fc1ccccc1-c1cccc([C@H]2CCCN(Cc3ccncc3)C2)n1 72348801 SEDZGKUARVGQTB-SFHVURJKSA-N 347.437 4.662 0 40 EJAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H]1CCCc2ccccc21 224634683 JWGIEWOEZNFLSD-KSFYIVLOSA-N 349.474 4.527 0 40 EJAB Cc1cccnc1NC(=S)N[C@@H](C)c1ccc(C(C)(C)C)cc1 225408667 RPNXSOGXAFPDCP-AWEZNQCLSA-N 327.497 4.735 0 40 EJAB CCOC(=O)c1cc(N)ccc1Nc1ccc(Oc2ccccc2)cc1 225480046 NAMRYWVTZHCRDG-UHFFFAOYSA-N 348.402 4.981 0 40 EJAB CC[C@H](C)Oc1ccc(NC(=O)[C@@](C)(CC)OC)c2ccccc12 225792070 RPWOXVWYXQYWAQ-VBKZILBWSA-N 329.440 4.771 0 40 EJAB Nc1ccc(Cl)c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 226272498 YQTVJGSCDRBIDS-UHFFFAOYSA-N 349.139 4.847 0 40 EJAB CC[C@@H](C)N1C(=O)S/C(=C/c2cccc(C(F)(F)F)c2)C1=O 409020016 LMZZKFZGGYBRAT-YXYQAXARSA-N 329.343 4.540 0 40 EJAB Cc1cccc(NC(=O)/C(Br)=C/c2ccccc2)c1C 113691 OYJWXYXVHGQHJL-PTNGSMBKSA-N 330.225 4.678 0 40 EJAB COC(=O)c1cc2ccccc2c(-c2c(O)ccc3ccccc23)c1O 346950 NQWPVDNYXWMQGJ-UHFFFAOYSA-N 344.366 4.858 0 40 EJAB Cc1cccc(-n2c(C)nnc2SCc2cccc(Cl)c2)c1 479257 HRTAKJUQJAAGNY-UHFFFAOYSA-N 329.856 4.830 0 40 EJAB COc1ccc2nc(Nc3nc(-c4cccnc4)cs3)sc2c1 4061289 JOFFNKOWAGLXIG-UHFFFAOYSA-N 340.433 4.567 0 40 EJAB O=C(Cc1ccc(Cl)cc1)OCc1ccc(Cl)cc1Cl 5859947 LYOFASJGCJASMS-UHFFFAOYSA-N 329.610 4.933 0 40 EJAB CC(=O)O[C@H]1CCC2=C(C1)C[C@H](F)C[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)CC[C@H]12 5976348 IGRWPBROGNPQRG-SIHSHDKHSA-N 348.458 4.542 0 40 EJAB COc1cc(Cl)ccc1NC(=O)c1c(C)nc2ccccc2c1C 6601752 SLMGBAJYARRFSX-UHFFFAOYSA-N 340.810 4.766 0 40 EJAB Cc1cc(C)cc(NC(=S)NCCSCc2ccccc2F)c1 7369399 JDVFYWFXCGCGIL-UHFFFAOYSA-N 348.512 4.662 0 40 EJAB O=C(Nc1nc(-c2cc3ccccc3o2)cs1)c1cccs1 7599187 SKDSSIWLRLRTDS-UHFFFAOYSA-N 326.402 4.870 0 40 EJAB CCCCn1nc(NC(=O)CC(C)C)c2cc3ccc(C)cc3nc21 9328343 OIGSURGYABJWKO-UHFFFAOYSA-N 338.455 4.678 0 40 EJAB COc1cccc(NC(=O)Nc2ccc(N3CCC(C)CC3)cc2)c1 11557016 UGADIWWKXMZESF-UHFFFAOYSA-N 339.439 4.576 0 40 EJAB CCCCCCOc1c(Br)cc(C(=O)O)cc1OCC 11799723 GFRBJUHICUIJFJ-UHFFFAOYSA-N 345.233 4.505 0 40 EJAB C[C@@H](NC(=O)/C=C/c1cccc2cccnc12)c1ccccc1Cl 12795833 USTOGWHJIHRJDW-GCZGRYASSA-N 336.822 4.779 0 40 EJAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(C(C)C)cc1 12978826 LONTZQYZAGIQQP-OAQYLSRUSA-N 348.446 4.713 0 40 EJAB Cc1cc(S(=O)(=O)Nc2cccc3ccccc23)c(C)cc1Cl 14257009 UXEYOFSTYHTJQD-UHFFFAOYSA-N 345.851 4.911 0 40 EJAB Cc1nc(-c2cc(C(=O)Nc3ccc(C(C)C)cc3)n(C)c2)cs1 16202410 HILLOPQLKHDLLH-UHFFFAOYSA-N 339.464 4.833 0 40 EJAB CCN(c1ccccc1)c1ncnc2c1cnn2-c1ccc(C)c(C)c1 17288287 XNJQBUDPICMAMD-UHFFFAOYSA-N 343.434 4.590 0 40 EJAB COc1cc2ccccc2cc1C(=O)N(C)Cc1ccc(Cl)cc1 17917603 RPOMEVNESMBBHX-UHFFFAOYSA-N 339.822 4.774 0 40 EJAB CCOC(=O)c1ccc(-c2nc3cc(Cl)ccc3o2)cc1Cl 20154447 SYRCUOPNDDOUMM-UHFFFAOYSA-N 336.174 4.978 0 40 EJAB CCOC(=O)c1cccc(NC(=O)c2ccccc2SC(C)C)c1 20612864 JIAPJAWIKTVWJU-UHFFFAOYSA-N 343.448 4.616 0 40 EJAB Fc1ccc(-c2nc(CN3CCC[C@H]3c3cccs3)co2)cc1 24433785 FHYYMSZUMRKRAI-INIZCTEOSA-N 328.412 4.879 0 40 EJAB Cc1cccc(C(=O)N(C)Cc2ccc(-c3ccc(Cl)cc3)o2)n1 25945170 BEBCBFHZGRMVAF-UHFFFAOYSA-N 340.810 4.576 0 40 EJAB CCc1ccccc1O[C@H](C)C(=O)N[C@@H](CC(C)C)c1ccccc1 30856351 HAKCRJYOPQKFLR-XLIONFOSSA-N 339.479 4.920 0 40 EJAB CC(C)n1ncc2cc(C(=O)O[C@H](C)c3ccccc3Cl)cnc21 32866021 HAUODKGITPPERX-GFCCVEGCSA-N 343.814 4.584 0 40 EJAB O=C(/C=C\c1cc([N+](=O)[O-])ccc1Cl)Nc1ccc(Cl)cc1 33373964 ZGKOIRHTUAXYBD-QPIMQUGISA-N 337.162 4.554 0 40 EJAB CC(C)Sc1ccc(CC(=O)N[C@H](C)Cc2cccs2)cc1 38565878 FVJJIOKNTWFWPF-CQSZACIVSA-N 333.522 4.539 0 40 EJAB CCc1ccccc1O[C@@H](C)C(=O)N[C@H](C)c1ccc(C)cc1C 38772898 IKHOHUSKDYNCIG-SJORKVTESA-N 325.452 4.511 0 40 EJAB Cc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccccc2Cl)cc1C 59351237 HGJFFJNSBOWECP-LSDHHAIUSA-N 331.843 4.602 0 40 EJAB Cc1cc(C)cc(O[C@@H](C)C(=O)N[C@H](C)c2cc(C)ccc2C)c1 59351466 FBBGPTUICNHQJZ-MSOLQXFVSA-N 325.452 4.565 0 40 EJAB CCc1ccc(O[C@H](CC)C(=O)N[C@@H](CC)c2ccc(C)cc2)cc1 59351809 VGVZRPRSCLSJEW-LEWJYISDSA-N 339.479 4.982 0 40 EJAB Cn1c(-c2ccc(Cl)cc2)ccc1-c1nnc(-c2ccco2)o1 67299888 CWRXFVFRBWAOFH-UHFFFAOYSA-N 325.755 4.656 0 40 EJAB CCN(CCC(F)(F)F)C(=O)Nc1ccc(OC(C)C)cc1C 71856993 KQAOOJUMONLDTB-UHFFFAOYSA-N 332.366 4.588 0 40 EJAB Cc1nc(-c2ccccc2)oc1C(=O)Nc1ccc(Cl)cc1F 78899686 GCWJUSFSHMTVHI-UHFFFAOYSA-N 330.746 4.695 0 40 EJAB O=C(Nc1cccc2c1CCCC2)c1ccc(Br)c(F)c1 98073349 IYODXJGYWWDXFN-UHFFFAOYSA-N 348.215 4.719 0 40 EJAB OC1=C2C(=Nc3nc4ccccc4n3[C@@H]2c2ccc(F)cc2)CCC1 102680295 BJFUKEZQCKEFGU-LJQANCHMSA-N 333.366 4.847 0 40 EJAB Cc1ccc(O[C@@H](Cc2ccccc2Oc2ccccc2)C(=O)O)cc1 225138420 VHLYPEKIHLIYRJ-NRFANRHFSA-N 348.398 4.862 0 40 EJAB Cc1cc(N)ccc1NC(=O)c1ccc(-c2cccc(Cl)c2)o1 227144629 PVVDRRBXOAWSET-UHFFFAOYSA-N 326.783 4.743 0 40 EJAB CCc1ccc(Nc2ncnc3c2cnn3-c2ccc(C)cc2C)cc1 551247 UXWQZURUWZUTFY-UHFFFAOYSA-N 343.434 4.738 0 40 EJAB CCN(C(=O)c1ccccc1F)c1nc(-c2ccccc2)cs1 882053 PQKYJUDNYUPDKL-UHFFFAOYSA-N 326.396 4.616 0 40 EJAB O=C(Nc1ccccc1)OCc1cc(-c2ccccc2Cl)on1 1394137 UITGCCIJHSVLSQ-UHFFFAOYSA-N 328.755 4.744 0 40 EJAB COc1ccc(C)cc1NC(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1 3356499 DXPBQBBCBGJWPM-UHFFFAOYSA-N 349.386 4.719 0 40 EJAB c1ccc2c(NC34CC5CC(CC(C5)C3)C4)nc(N3CCCC3)nc2c1 4269407 IMXFJCAIOFAXLN-UHFFFAOYSA-N 348.494 4.611 0 40 EJAB CCCCCCc1cc(O)c2c(c1)OC(C)(C)C1=C2CCN(C)C1 4976718 CXLQUCPRQKBNSP-UHFFFAOYSA-N 329.484 4.775 0 40 EJAB in-vivo Cc1cccc(-c2c(NC(=O)c3ccco3)oc3ccccc3c2=O)c1 5325152 OLXOQOGIKPCSGS-UHFFFAOYSA-N 345.354 4.614 0 40 EJAB CC(C)CNC(=O)[C@H](C)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 9547997 CZVHTUAPZNBQBZ-GFCCVEGCSA-N 328.843 4.850 0 40 EJAB CCCCc1ccc(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc1 12578338 ICHRBMKPQSEIPF-FQEVSTJZSA-N 347.462 4.883 0 40 EJAB O[C@@](Cc1cccnc1)(c1ccccc1)c1cccc2ccccc12 12939893 YHVXSUXSVFSZIV-QHCPKHFHSA-N 325.411 4.713 0 40 EJAB Cc1cccc(-c2nnc(-c3cccc(NC(=O)C(C)(C)C)c3)o2)c1 13843292 MBZCNVCYWABVHD-UHFFFAOYSA-N 335.407 4.697 0 40 EJAB Cc1nc(-c2cccc(NC(=O)c3cc4ccccc4[nH]3)c2)cs1 14940494 BVUQTDVHEYVENM-UHFFFAOYSA-N 333.416 4.852 0 40 EJAB Cc1c(C(=O)N(C)c2ccccc2)sc2nc(-c3ccccc3)cn12 16740400 JBFSDQZHADZACV-UHFFFAOYSA-N 347.443 4.648 0 40 EJAB CCc1cccc(CC)c1NC(=O)[C@@H](CC)Oc1ccc(F)cc1 20036878 KTPDMACLEZOYID-GOSISDBHSA-N 329.415 4.747 0 40 EJAB Cc1ccc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(Cl)c2)cc1 20137532 RMRHWURHYXFCSF-UHFFFAOYSA-N 341.794 4.653 0 40 EJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H](C)c1ccc(C)cc1 20483880 AXHZDQLVGLBIMR-YLJYHZDGSA-N 325.452 4.647 0 40 EJAB O=C(Nc1ncccc1O)c1ccc(-c2cc(Cl)ccc2Cl)o1 22263900 CKSABVYJCKSCQP-UHFFFAOYSA-N 349.173 4.606 0 40 EJAB CCCSc1ncc(Cl)c(-c2nnc(-c3ccc(C)cc3)o2)n1 27995597 BLFCFKQICAFZLX-UHFFFAOYSA-N 346.843 4.658 0 40 EJAB O=C(CCSCc1csc(-c2ccco2)n1)Nc1ccccc1 31421266 UVQNVRYBLBNPLM-UHFFFAOYSA-N 344.461 4.665 0 40 EJAB Cc1ccc(-c2noc([C@H](C)Sc3nccn3C3CC3)n2)cc1F 32905717 BHNGXZBGDXLYJP-NSHDSACASA-N 344.415 4.569 0 40 EJAB O=C(O)c1ccc(Nc2ccnc3cc(C(F)(F)F)ccc23)cc1 34086119 MCHADFLJDFZWRH-UHFFFAOYSA-N 332.281 4.695 0 40 EJAB Cc1ccc(NC(=O)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)cc1 40072753 VHGCRPWZUBQSLA-LBPRGKRZSA-N 338.329 4.776 0 40 EJAB c1ccc(CCNc2nc(N3CCCCCC3)nc3ccccc23)cc1 41153263 QNDBTEXPXDFKLM-UHFFFAOYSA-N 346.478 4.665 0 40 EJAB CC[C@H](Oc1ccccc1Cl)C(=O)NCCCc1cccc(C)c1 44885569 RFDBYQSNDINJPI-SFHVURJKSA-N 345.870 4.555 0 40 EJAB Cc1cc(C)cc(NC(=O)CNC(c2ccccc2)c2ccccc2)c1 58447237 IHJNDTDHXHTBDA-UHFFFAOYSA-N 344.458 4.621 0 40 EJAB Cc1ccc([C@@H](C)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1 59038181 HATFCELUHLUFQL-CQSZACIVSA-N 341.842 4.891 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccccc2Cl)cc1C 59351236 HGJFFJNSBOWECP-HUUCEWRRSA-N 331.843 4.602 0 40 EJAB C[C@@H](NCc1cc2ccccc2[nH]c1=O)c1cccc2ccccc12 71857913 PDISLSVNNDHLII-OAHLLOKOSA-N 328.415 4.532 0 40 EJAB O=C(c1cccc(C(F)(F)F)c1)N1CCC(c2ccsc2)CC1 75157138 WXEOBHWWDWNRAE-UHFFFAOYSA-N 339.382 4.787 0 40 EJAB O=C(Cc1csc(-c2ccccc2)n1)NCC1CCCCCCC1 95364888 TXPAWMKZBGGECR-UHFFFAOYSA-N 342.508 4.829 0 40 EJAB COC(=O)c1ccc(COc2ccc3occ(-c4ccco4)c3c2)o1 96220910 TVGYAJYXLXEZQP-UHFFFAOYSA-N 338.315 4.651 0 40 EJAB biogenic Cc1cccc(CSCC(=O)N[C@H](C)c2ccc3c(c2)CCC3)c1 223244406 KJHXSOMOHHOASO-MRXNPFEDSA-N 339.504 4.594 0 40 EJAB CCN(CC)C(=O)c1ccc(OC)c(CSc2ccc(C)cc2)c1 224339934 WVMYYXOHKGOKSS-UHFFFAOYSA-N 343.492 4.778 0 40 EJAB Cc1cc(Cl)ccc1C[C@@H](Oc1ccc2ccccc2c1)C(=O)O 225075314 ZMZMVZROKIQSGY-LJQANCHMSA-N 340.806 4.876 0 40 EJAB CCN(Cc1cccc(NCc2ccc3nc(C)ccc3c2)c1)C(C)=O 225462478 SIPRUVVLPFYJNS-UHFFFAOYSA-N 347.462 4.524 0 40 EJAB Cc1cc(C)cc(NC(=S)NCCCSCc2ccccc2)c1 225595799 VRRKJSNSUMXGSR-UHFFFAOYSA-N 344.549 4.913 0 40 EJAB CCO[C@@]1(C(=O)Nc2ccc(OCC(C)C)cc2)CCC[C@H](C)C1 225713255 RHCJJMDJJAKSJB-JXFKEZNVSA-N 333.472 4.645 0 40 EJAB CC(C)c1ccc(NC(=O)c2cc3cc(Cl)ccc3oc2=O)cc1 226041335 GQFDHDCSPWEQSH-UHFFFAOYSA-N 341.794 4.822 0 40 EJAB CC[C@H](C)Oc1ccc(NC(=O)[C@]2(OC)CCC[C@H](C)C2)cc1C 260816942 SLENYYWZSNJQRK-UVFQYZLESA-N 333.472 4.706 0 40 EJAB COc1ccc(NCC(=O)c2ccc3c(c2)Cc2ccccc2-3)cc1 408723752 JESLNXZKUWULAA-UHFFFAOYSA-N 329.399 4.561 0 40 EJAB CCc1c(C(=O)c2ccccc2)oc2c(C)c3oc(=O)cc(C)c3cc12 88200 QMHHVLQQDUYWIG-UHFFFAOYSA-N 346.382 4.949 0 40 EJAB biogenic CCCn1c([C@H]2CC(=O)N(c3cc(C)ccc3C)C2)nc2ccccc21 252131 XOIMWOMTJDQCOV-KRWDZBQOSA-N 347.462 4.584 0 40 EJAB CCC(=O)c1cn(CC(=O)Nc2ccc(Cl)cc2)c2ccccc12 560732 JTHXIUDMVVNFPI-UHFFFAOYSA-N 340.810 4.526 0 40 EJAB Cc1cc(Br)c(NC(=O)c2ccccc2Cl)cc1C 565888 PJRIAQUKIZPHTC-UHFFFAOYSA-N 338.632 4.972 0 40 EJAB Cc1cc2sc(NC(=O)C(Cl)(Cl)Cl)nc2cc1Cl 569480 FFQMGRVUXQUUEQ-UHFFFAOYSA-N 344.050 4.567 0 40 EJAB O=S(=O)(Cc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 1672789 PFCHQLSWOQFFKU-UHFFFAOYSA-N 335.639 4.621 0 40 EJAB CCN(CC)CC[C@](O)(Cc1ccccc1)c1cccc(Cl)c1 1698646 ANGQRRAQWMUDKF-FQEVSTJZSA-N 331.887 4.502 0 40 EJAB COC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)C(C)(C)C 2889617 KPXLKUMVACCXNQ-UHFFFAOYSA-N 345.464 4.803 0 40 EJAB CCCCCC[C@@H](C)NC(=O)COc1ccc(Cl)cc1Cl 3083732 IDMBZPHEVJMMNT-GFCCVEGCSA-N 332.271 4.847 0 40 EJAB Cc1nc2ccc(NC(=O)CCc3c[nH]c4ccccc34)cc2s1 3438689 ZWTLUIRKKJTIAZ-UHFFFAOYSA-N 335.432 4.657 0 40 EJAB C[C@@H](N[C@H]1CCCc2ccccc21)C(=O)Nc1ccc2ccccc2c1 3476763 AOFYTWRPMZATHC-ZHRRBRCNSA-N 344.458 4.834 0 40 EJAB O=C(O[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1ccco1 3537691 YMSAJWLNSIOSDG-HXUWFJFHSA-N 345.354 4.542 0 40 EJAB COc1cc(C(=O)Nc2c(C)cccc2C(C)C)cc(OC)c1C 3592019 NJGWJOXSYZZJAI-UHFFFAOYSA-N 327.424 4.696 0 40 EJAB Cc1nc(CSc2nnc3scc(-c4ccccc4)n23)cs1 3905153 FUSVFOTUHCYIIP-UHFFFAOYSA-N 344.490 4.515 0 40 EJAB C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]21CCC(=O)O1 4026126 UWBICEKKOYXZRG-DHNHVGITSA-N 342.479 4.594 0 40 EJAB biogenic CCCCNC(=S)Nc1ccc(Nc2ccc(OC)cc2)cc1 4867824 XLDFFFLAAHLUSA-UHFFFAOYSA-N 329.469 4.525 0 40 EJAB O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1cccnc1 6342816 MSWGJQMSDIUUIJ-UHFFFAOYSA-N 331.400 4.611 0 40 EJAB Cc1ccc(-c2csc(NC(=O)c3cccc(F)c3)n2)cc1C 6509458 PCXQAXMVEPDXFE-UHFFFAOYSA-N 326.396 4.818 0 40 EJAB c1ccc2sc([C@H]3CCCCN3Cc3cn4ccccc4n3)nc2c1 7001145 VINIPNOHZJVDDM-QGZVFWFLSA-N 348.475 4.671 0 40 EJAB CCN(CC)C(=O)Cc1csc(-c2c(Cl)cccc2Cl)n1 7718417 HOAMIWBSUTYYHT-UHFFFAOYSA-N 343.279 4.528 0 40 EJAB CCc1sc(-c2nnc(CN3c4ccccc4C[C@H]3C)o2)cc1C 8724618 KWZUTMXTKBHNPF-CYBMUJFWSA-N 339.464 4.620 0 40 EJAB O=C(NCCCn1ccc2ccccc21)c1cc(Cl)ccc1Cl 12517480 CBNMTIPKPHJMDP-UHFFFAOYSA-N 347.245 4.768 0 40 EJAB CSc1ccccc1NC(=O)COc1cc(C)ccc1C(C)C 15306084 JVQAJODKLQXAFH-UHFFFAOYSA-N 329.465 4.858 0 40 EJAB Cc1nc(-c2cccs2)sc1C(=O)N1CCCc2ccccc21 17334809 KINCYDZXIMRHQS-UHFFFAOYSA-N 340.473 4.773 0 40 EJAB Cc1oc(-c2ccccc2)nc1C(=O)N(C)Cc1ccccc1Cl 17917939 HEPPQYZUZQDIBP-UHFFFAOYSA-N 340.810 4.576 0 40 EJAB Cc1cccc(Nc2nn(-c3ccccc3)c3c2C(=O)C[C@@H](C)C3)c1C 20671985 JRUIQHUUPDFIAY-AWEZNQCLSA-N 345.446 4.998 0 40 EJAB CCOC(=O)c1[nH]c(C)c(-c2csc(NC3CCCCC3)n2)c1C 24045792 PFSPUXYPIMLBQV-UHFFFAOYSA-N 347.484 4.676 0 40 EJAB c1csc(CN(Cc2nc3ccccc3s2)C[C@@H]2CCCO2)c1 32759751 GHDFSZQMXCAKJZ-AWEZNQCLSA-N 344.505 4.539 0 40 EJAB O=C(Nc1nc(-c2ccco2)cs1)C1(c2cccs2)CCCC1 38488748 QWSMZELTDOJBJV-UHFFFAOYSA-N 344.461 4.915 0 40 EJAB Cc1cccc2c(O)nc(/C(Cl)=C/c3cc(F)ccc3F)nc12 40139797 YEDQRAVQQNWUPE-JYRVWZFOSA-N 332.737 4.659 0 40 EJAB CCOC(=O)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 44200720 WLMXFHNLWQXJON-UHFFFAOYSA-N 325.191 4.749 0 40 EJAB Cc1nc(SCc2noc(C(C)(C)C)n2)n(C2CCCCC2)c1C 48323984 RJVVVNJRRJKVHM-UHFFFAOYSA-N 348.516 4.978 0 40 EJAB O=C(CCc1ccccc1Cl)Nc1ccccc1C(F)(F)F 48545875 SQAVMWQMZFGMKZ-UHFFFAOYSA-N 327.733 4.930 0 40 EJAB Cc1ccc(-c2csc(Cc3nc(-c4cccs4)no3)n2)cc1 49006145 KHUGHLYCTBWXBP-UHFFFAOYSA-N 339.445 4.821 0 40 EJAB CCn1c(CN(Cc2ccc(C)cc2)C2CC2)nc2cc(F)ccc21 58296550 ROQAKSSTKXOXIE-UHFFFAOYSA-N 337.442 4.668 0 40 EJAB Clc1cccc(C2(c3nc(C4CCCCC4)no3)CCOCC2)c1 71890043 LTKHBXIULWLTSP-UHFFFAOYSA-N 346.858 4.867 0 40 EJAB CCN(CC)c1c(-c2ccc(Cl)cc2)c2ccccc2[nH]c1=O 72314730 VKZHCRPDMBRUDU-UHFFFAOYSA-N 326.827 4.695 0 40 EJAB Fc1cccc(Cc2cccc([C@@H]3CCCN3Cc3ccccn3)n2)c1 72357714 GOFVYUKYNZEFJY-QFIPXVFZSA-N 347.437 4.544 0 40 EJAB Cc1cc(NC(=O)[C@@H]2C[C@H]2c2ccco2)ccc1Oc1cccnc1 84093761 ANDYBGMUYRVSHD-IAGOWNOFSA-N 334.375 4.518 0 40 EJAB Cc1cnc([C@H](C)N[C@@H](C)c2ccc(F)cc2OC(F)F)s1 95969008 VULRKBJRUJEOHP-UWVGGRQHSA-N 330.375 4.604 0 40 EJAB CC[C@H](Oc1ccc(C)cc1C)C(=O)N[C@H](C)c1ccc(C)cc1C 113970332 XHNXFAFJPSGXDS-QUCCMNQESA-N 339.479 4.955 0 40 EJAB Cc1cc(N)c(NC(=O)c2ccccc2)cc1N1[C@@H](C)CCC[C@@H]1C 216866794 DGWUGTJGKLDCDJ-HOTGVXAUSA-N 337.467 4.597 0 40 EJAB CCC[B-]1(CCC)N=C2C=CC=CN2C(=O)N1c1ccc(OC)cc1 217417565 PARHKGZNDAVEEB-UHFFFAOYSA-N 338.240 4.681 0 40 EJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@@H](C)c1ccc(C)c(C)c1 219378660 MRBKSLOMULMOAD-ICSRJNTNSA-N 339.479 4.955 0 40 EJAB COc1cc(C)c([C@@H](C)NC(=O)NC2CCCCC2)cc1C(C)C 223391329 RJXLQPSXKHRXLH-OAHLLOKOSA-N 332.488 4.820 0 40 EJAB Cc1ccc2[nH]c(-c3ccc(C(=O)Nc4ccccc4)cc3)nc2c1 225260875 UDBANBNOKLNFIU-UHFFFAOYSA-N 327.387 4.791 0 40 EJAB COc1ccc([C@H](CC(C)C)NC(=S)Nc2ccccc2F)cc1 225498199 PLOSALZNZMUVNZ-SFHVURJKSA-N 346.471 4.908 0 40 EJAB COc1cc(C)c(C(=O)N[C@H](C)c2ccc(C)cc2)cc1C(C)C 225663048 OTOGUWFTLSCMHA-MRXNPFEDSA-N 325.452 4.926 0 40 EJAB C[C@@H](NC(=O)OC(C)(C)C)c1cccc(C(=O)c2ccccc2)c1 225753611 VKKMXVJMEWPINT-CQSZACIVSA-N 325.408 4.503 0 40 EJAB Cc1csc(C2(NC(=O)c3cc(C(C)C)oc3C)CCCC2)n1 585081910 YLSLJUDPHKUFBF-UHFFFAOYSA-N 332.469 4.676 0 40 EJAB Clc1ccc(-c2nc3cnccn3c2NC2CCCCC2)cc1 815427 NNLPOKKRSXCKLS-UHFFFAOYSA-N 326.831 4.794 0 40 EJAB CCOc1ccc([C@H](C)NC(=O)c2cccc(C)c2C)cc1OCC 3353132 KYHNKLLQEMMXRL-INIZCTEOSA-N 341.451 4.592 0 40 EJAB O=C(Cc1ncc(C(F)(F)F)cc1Cl)NC1CCCCCCC1 4014693 SMKFYLCAHNORGG-UHFFFAOYSA-N 348.796 4.525 0 40 EJAB Cc1sc2c(c1C)C(=O)N[C@H](c1ccc(-c3ccccc3F)o1)N2 4523669 MEGHYPKPWWSSRZ-INIZCTEOSA-N 342.395 4.618 0 40 EJAB Cc1ccc(NC(=O)N2CCn3cccc3[C@H]2c2ccc(F)cc2)cc1 4854358 BBKSECGSLOERMI-HXUWFJFHSA-N 349.409 4.573 0 40 EJAB COc1ccccc1CNC(=O)c1sccc1-c1ccc(C)cc1 5405000 YGMSWLAUYBVUEC-UHFFFAOYSA-N 337.444 4.662 0 40 EJAB O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1cccnc1Cl 6330408 YFOCJWFDFJNDCS-UHFFFAOYSA-N 336.005 4.948 0 40 EJAB O=C(CC(c1ccccc1)c1ccccc1)OCC(=O)c1ccccc1 6507255 ZQPFUOZRVKFLDT-UHFFFAOYSA-N 344.410 4.635 0 40 EJAB CCCOc1ccc(C(=O)Nc2ccccc2CC)cc1OCC 7724097 YMSLQYUDVQUKGI-UHFFFAOYSA-N 327.424 4.689 0 40 EJAB Cc1ccc(Nc2ccccc2C(=O)OCC(=O)C(C)(C)C)cc1 12549449 ZMJRJCMHQGKTAO-UHFFFAOYSA-N 325.408 4.511 0 40 EJAB S=C(Nc1ccccc1)Nc1ccc(-n2cnc3ccccc32)cc1 18138489 ACCWTWGWUQDPJH-UHFFFAOYSA-N 344.443 4.834 0 40 EJAB O=C(COC(c1ccccc1)c1ccccc1)Nc1ccccc1F 32892446 ZFMSCFNCFJEAKE-UHFFFAOYSA-N 335.378 4.570 0 40 EJAB Cc1cccc(C(C)C)c1NC(=O)c1ccc(Cn2ccnc2C)cc1 38860004 YMMYGUUZDMPIIT-UHFFFAOYSA-N 347.462 4.924 0 40 EJAB COc1cc(C)c(NC(=O)N[C@H](c2cccs2)C(C)C)cc1OC 40103456 QRVGJMQELZXDPO-KRWDZBQOSA-N 348.468 4.593 0 40 EJAB CCc1cccc(CC)c1NCc1cc2cc(C)cc(C)c2[nH]c1=O 57577696 UBFONEXHEZIWSC-UHFFFAOYSA-N 334.463 4.882 0 40 EJAB C[C@H](N[C@H](C)c1nnc(-c2ccccc2)o1)c1cccc(Cl)c1 69417416 ADFGUOZZJNYOHB-QWHCGFSZSA-N 327.815 4.802 0 40 EJAB CC(C)(C)OC(=O)N1CCC(CSc2ccc(F)cc2)CC1 72203946 QFYJRBRFABVTTI-UHFFFAOYSA-N 325.449 4.565 0 40 EJAB CSc1ccc(CNc2ccc(Cl)c(C[S@@](C)=O)c2)cc1 97084927 UPHZBOYAFFWACZ-NRFANRHFSA-N 339.913 4.553 0 40 EJAB CCn1c(/C=C/Nc2ccccc2)[n+](CC)c2cc(Cl)ccc21 100494438 PWFFLMWBGRKFOX-UHFFFAOYSA-O 326.851 4.705 0 40 EJAB CCOc1ccc(C(=O)N[C@H](CC(C)C)c2ccc(OC)cc2)cc1 219956146 OSGAYDZVUKSVCB-HXUWFJFHSA-N 341.451 4.611 0 40 EJAB CC(C)c1ccccc1OCC(=O)NCCCc1ccccc1Cl 222808563 LYQRJSZROBZHAK-UHFFFAOYSA-N 345.870 4.591 0 40 EJAB S=C(Nc1ccccc1)Nc1nnc(-c2ccc(Cl)cc2)s1 223872297 BLYQWRVRRDNZKG-UHFFFAOYSA-N 346.868 4.667 0 40 EJAB CO[C@@]1(C(=O)Nc2cc(C)c(OCC(C)C)c(C)c2)CCC[C@@H](C)C1 225638482 JWTKZDWMIYRISZ-VFNWGFHPSA-N 347.499 4.872 0 40 EJAB Cc1ccc(NC(=S)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)cc1 225672196 URTNPBYUQQLKHM-KRWDZBQOSA-N 340.492 4.892 0 40 EJAB CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC)c(Cl)c1 225701784 WUVMMZYGZWICFE-KRWDZBQOSA-N 327.852 4.663 0 40 EJAB Fc1cccc2nc(N3CCCC[C@@H]3c3nc4ccccc4[nH]3)oc12 624260305 JIRUGCOSGVFNEL-MRXNPFEDSA-N 336.370 4.575 0 40 EJAB Cc1oc2ccc(OC(=O)c3ccccc3)cc2c1C(=O)OC(C)C 271851 WMLSHXQSFYQJDZ-UHFFFAOYSA-N 338.359 4.526 0 40 EJAB biogenic CC(C)(C)c1ccc(-c2nnc3sc(-c4cccs4)nn23)cc1 531071 YPQKYUPSORYXQH-UHFFFAOYSA-N 340.477 4.879 0 40 EJAB S=C(SCSc1nc2ccccc2s1)N1CCCCC1 536738 WVUCVVOFGNPINX-UHFFFAOYSA-N 340.564 4.850 0 40 EJAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1cccs1 557980 CZZNQFKVQYGREB-UHFFFAOYSA-N 340.370 4.619 0 40 EJAB Cc1ccc(N2COc3c(cc4c(C)c(C)c(=O)oc4c3C)C2)cc1C 2115893 LKUJBCQBBDKIPJ-UHFFFAOYSA-N 349.430 4.692 0 40 EJAB biogenic CCCSc1nc2sc(C)c(C)c2c(=O)n1-c1ccccc1 2180531 GHIBIPHFVHGQKP-UHFFFAOYSA-N 330.478 4.566 0 40 EJAB CC(=O)c1cccc(NC(=O)[C@H](C)Sc2ccccc2Cl)c1 3380452 OQWDAWUCXOQBDR-LBPRGKRZSA-N 333.840 4.662 0 40 EJAB CCOC(=O)c1sc(NC(=O)c2ccc3ccccc3c2)cc1C 6331503 SGRUQMUGNGVDKQ-UHFFFAOYSA-N 339.416 4.639 0 40 EJAB O=C(/C=C/c1ccco1)N1CCc2sccc2[C@@H]1c1ccccc1 8115133 JTEQOSAIISXHGU-IBDYFIJFSA-N 335.428 4.529 0 40 EJAB COc1ccc(N[C@@H](C)c2nc(-c3ccccc3)no2)cc1Cl 8920086 NXFMSETUUOWLEE-NSHDSACASA-N 329.787 4.572 0 40 EJAB COc1ccc2nc(-c3ccccc3)c(CN3CCCCC3)c(O)c2c1 9692065 PFONEWCLHFLIKF-UHFFFAOYSA-N 348.446 4.602 0 40 EJAB O=C(Nc1ccc(Cl)cc1)N[C@H]1CCSc2c(F)cccc21 12819111 VMPRWYURESZXNL-AWEZNQCLSA-N 336.819 4.838 0 40 EJAB Cc1cc(O[C@H](C)C(=O)Nc2ccc(F)c(F)c2)cc(C)c1Cl 14401198 YXMKTVFZHNDFSD-LLVKDONJSA-N 339.769 4.641 0 40 EJAB CCN(CC)C1=CCCC(c2ccccc2)=NN=C1c1ccccc1 17174650 PTGMRTJMOVOZRC-UHFFFAOYSA-N 331.463 4.900 0 40 EJAB Cc1cccc(Nc2ncc3c(n2)C[C@@H](c2ccc(F)cc2)CC3=O)c1 18113807 MSGJVDPESRHFEJ-OAHLLOKOSA-N 347.393 4.580 0 40 EJAB Cc1cc(C)c(NC(=O)c2cc(Br)ccc2F)c(C)c1 19477415 IZCKMJUJFGHBOA-UHFFFAOYSA-N 336.204 4.766 0 40 EJAB CCOc1ccc(C(=O)N[C@H](C)c2ccc(SC)cc2)cc1C 20025606 WSWIQZDNVLFMPA-CQSZACIVSA-N 329.465 4.607 0 40 EJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCSC1CCCCC1 30866975 HDWBGAFNIYHMMZ-IBGZPJMESA-N 349.540 4.643 0 40 EJAB Oc1ccccc1-c1nc(/C=C\c2ccccc2)nn1-c1ccccc1 38173242 HJBOXJGETYZTCL-NXVVXOECSA-N 339.398 4.810 0 40 EJAB Cc1cc(Br)ccc1NCc1ccc(O)c(Cl)c1 48727956 NPYPRSHOIQLINJ-UHFFFAOYSA-N 326.621 4.729 0 40 EJAB C[C@H](Sc1nncs1)c1cccc(NC(=O)c2ccccc2)c1 53452338 DYDAIHGCHWGLTF-LBPRGKRZSA-N 341.461 4.644 0 40 EJAB Cc1cc(NC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)no1 56329585 LEVDWERJFPQTAR-MRXNPFEDSA-N 327.428 4.650 0 40 EJAB Cc1c(C(=O)N(C)c2cc(-c3ccccc3)[nH]n2)sc2ccccc12 58329923 DIJILKHDOGJTCV-UHFFFAOYSA-N 347.443 4.876 0 40 EJAB CC(C)[C@H]1CC(=O)Nc2c1sc(C(=O)O)c2-c1ccccc1Cl 61718242 FJGBYACUUULRIP-SNVBAGLBSA-N 349.839 4.849 0 40 EJAB CC(C)(C)OC(=O)N1CCC(CSc2cccc(F)c2)CC1 79440517 GQIDKVGDAFCLEA-UHFFFAOYSA-N 325.449 4.565 0 40 EJAB CCOc1cc(C=O)c(Cl)cc1OCc1ccc(Cl)cc1 95094975 ULLRRDSLSCVQAV-UHFFFAOYSA-N 325.191 4.784 0 40 EJAB COc1ccc(C)cc1NC(=O)c1cc(-c2ccc(Cl)cc2)on1 96654917 DDMTXJTVMBBWMX-UHFFFAOYSA-N 342.782 4.564 0 40 EJAB CC(C)Oc1ccc(C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1 218984616 DLXCZMWNWKFUHH-GOSISDBHSA-N 339.435 4.506 0 40 EJAB CCc1ccc(CC)c(CNC(=O)[C@@H](C)Oc2cc(C)cc(C)c2)c1 223182812 GAKCWNJXMJZTMD-QGZVFWFLSA-N 339.479 4.512 0 40 EJAB CCc1ccc(CC)c(CNC(=O)[C@H](C)SCc2ccccc2)c1 223242224 MGWPCOLRRORKHH-INIZCTEOSA-N 341.520 4.750 0 40 EJAB CCCO[C@](C)(C(=O)Nc1ccc(OC2CCCC2)c(C)c1)C1CC1 225673784 OTVGIIWKLSIGHP-NRFANRHFSA-N 345.483 4.850 0 40 EJAB CCOC1(C(=O)Nc2ccc(O[C@H](C)CC)cc2)CCC(C)CC1 225719649 NXTMJGRDFKWYQO-LFDOHDQPSA-N 333.472 4.788 0 40 EJAB CCN(C(=O)C(F)(F)F)c1ccc2oc(-c3ccc(C)cc3)nc2c1 226282017 UMYSJNXGNKLQCQ-UHFFFAOYSA-N 348.324 4.718 0 40 EJAB O=C(CSc1ccc2ccccc2c1)Nc1ccc(Cl)cc1O 409412014 PQJRXJXKLGPWBI-UHFFFAOYSA-N 343.835 4.930 0 40 EJAB O=C(Nc1cccc2nsnc12)c1sc2ccccc2c1Cl 363351 PKFNJPFWASDMHE-UHFFFAOYSA-N 345.836 4.812 0 40 EJAB COc1ccc(C[n+]2c(-c3ccc(Cl)cc3)cn3ccccc32)cc1 495020 IVCMVLQWGVGYGX-UHFFFAOYSA-N 349.841 4.604 0 40 EJAB O=C(N[C@@H]1C[C@H](c2ccccc2)Oc2ccccc21)c1ccccc1 1702582 NHBLIZLZYDJDKC-TZIWHRDSSA-N 329.399 4.682 0 40 EJAB CN1CCC(c2ccccc2)(c2ccccc2)O[C@@H]1c1ccccc1 1728960 YZIXLIRXTFSWGI-JOCHJYFZSA-N 329.443 4.981 0 40 EJAB CC(=O)c1ccc(NC(=O)Cc2coc3ccc4ccccc4c23)cc1 2648912 LWTCOLCINWXBJE-UHFFFAOYSA-N 343.382 4.970 0 40 EJAB Clc1ccc(Oc2ccc(Nc3ncnc4[nH]cnc34)cc2)cc1 2719595 DCQNTERJAOAFCF-UHFFFAOYSA-N 337.770 4.542 0 40 EJAB CCOc1cc(NC(=O)c2ccccc2Cl)ccc1OC(F)F 2796333 AMVXFEAWRLZBEH-UHFFFAOYSA-N 341.741 4.592 0 40 EJAB O=C(COC(=O)c1ccc(Oc2ccccc2)cc1)c1ccccc1 3385183 DQAOTQMFECKWAQ-UHFFFAOYSA-N 332.355 4.519 0 40 EJAB Fc1cccc2sc(Nc3nnc(-c4ccccc4Cl)o3)nc12 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Cc1ccsc1C(=O)Nc1nc(-c2cc(F)ccc2F)cs1 7778084 ODWFEZPTLFUYLR-UHFFFAOYSA-N 336.388 4.711 0 40 EJAB CCc1cccc2c(C(=O)CSc3ncnc4ccccc34)c[nH]c12 8189248 HJNMDVJUHHLERD-UHFFFAOYSA-N 347.443 4.649 0 40 EJAB Cc1occc1C(=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 9742056 BONQILWWCRBUKL-UHFFFAOYSA-N 338.432 4.843 0 40 EJAB O=C(NCCCOC1CCCCC1)Nc1cccc2ccccc12 11006164 JQPDVPJENRLSME-UHFFFAOYSA-N 326.440 4.701 0 40 EJAB CC(C)(C)C1CCC(C(=O)Nc2cccc(N3CCCC3=O)c2)CC1 11916515 YGQMOHBXBDWFNP-UHFFFAOYSA-N 342.483 4.604 0 40 EJAB Cc1cccc(C(=O)N2CCc3sccc3[C@H]2c2cccs2)c1 12808850 ZTRQRAYXJIHCFH-SFHVURJKSA-N 339.485 4.906 0 40 EJAB Cc1ccc(-c2nc(C(=O)Nc3cccc4ncccc34)cs2)cc1 12821303 YPHJXJVWVBHPIZ-UHFFFAOYSA-N 345.427 4.919 0 40 EJAB c1ccc(/N=c2\scc(-c3ccccc3)n2C[C@H]2CCCO2)cc1 13149066 LCSATNVAEYDHHV-HMDOMZECSA-N 336.460 4.628 0 40 EJAB CCc1cccc2cc3c(nc12)O[C@H](C)CN(CCc1ccccc1)C3 13563848 WROVGMAVROOQPM-QGZVFWFLSA-N 346.474 4.623 0 40 EJAB c1ccc(Cc2nn3c(-c4cccs4)nnc3c3ccccc23)cc1 13626109 IFGNEQHMKDUAGC-UHFFFAOYSA-N 342.427 4.597 0 40 EJAB Cc1cccc(CN[C@@H](Cc2ccsc2)c2nc(C)c(C)s2)n1 19236347 IMFRSGBKUISELU-KRWDZBQOSA-N 343.521 4.598 0 40 EJAB CC(C)C[C@H](NC(=O)CSCc1ccc(F)cc1)c1ccccc1 22522047 QPKKFIDWIDGVQU-IBGZPJMESA-N 345.483 4.963 0 40 EJAB O=C(N[C@@H]1CCCC[C@H]1C(F)(F)F)c1cc(Cl)ccc1Cl 25047733 FHHKPKHQHZSQQJ-ZYHUDNBSSA-N 340.172 4.844 0 40 EJAB COc1ccc2nc(C)c(C(=O)Nc3cc(Cl)ccc3C)cc2c1 25767490 AJHGATWFHWLKLL-UHFFFAOYSA-N 340.810 4.766 0 40 EJAB O=C(Nc1ccc(-n2cccn2)cc1)Nc1cccc(Cl)c1Cl 27917684 QTJGIARUKQETJW-UHFFFAOYSA-N 347.205 4.823 0 40 EJAB CC[C@@H](NC(=O)COc1cccc2ccccc12)c1ccc(C)cc1 30854624 WUXHHIFEVFLZKF-HXUWFJFHSA-N 333.431 4.795 0 40 EJAB C[C@H](NC(=O)Nc1ccc(OC(F)(F)F)cc1)c1cccs1 40023912 YJIIABIENAXTND-VIFPVBQESA-N 330.331 4.529 0 40 EJAB CCSc1ccccc1NC(=O)N(Cc1ccccn1)C(C)C 65565318 XEOULKIYDNCVPL-UHFFFAOYSA-N 329.469 4.636 0 40 EJAB O=C(c1cnc(-c2cccs2)s1)N1CCCc2cccc(F)c21 66283209 HEYJTSKKFGLXAS-UHFFFAOYSA-N 344.436 4.604 0 40 EJAB CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2C)cn1 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4.831 0 40 EJAB Cc1ccc(C[C@H](Oc2ccc(C(C)(C)C)cc2)C(=O)O)c(C)c1 225025554 IQUZEABBOZMXFJ-IBGZPJMESA-N 326.436 4.676 0 40 EJAB O=C(O)[C@H](Cc1ccc(Cl)c(Cl)c1)Oc1cccc(Cl)c1 225087867 CVDPVKMXTPFLMI-AWEZNQCLSA-N 345.609 4.722 0 40 EJAB C[C@@H](Nc1ccc(-c2cn3ccccc3n2)cc1)c1ccc(F)cn1 539598543 RUXCPZGMEWDSHL-CQSZACIVSA-N 332.382 4.709 0 40 EJAB Oc1ccc(F)c(CN2CC[C@H](C(F)(F)F)c3ccccc32)c1F 1659862251 ASSSSOSPXFGMBZ-LBPRGKRZSA-N 343.295 4.727 0 40 EJAB O=c1oc2c(Cl)cc(Cl)cc2cc1-c1nc2ccccc2[nH]1 38206 QQBULANVRUDXOX-UHFFFAOYSA-N 331.158 4.643 0 40 EJAB O=C(COc1cccc(Cl)c1)Nc1cc(Cl)cc(Cl)c1 145113 TUNXNAAZALVINR-UHFFFAOYSA-N 330.598 4.664 0 40 EJAB COc1cccc(-c2cc(C(F)(F)F)nc(NC3CCCC3)n2)c1 213236 QWOPBEZEDUPMBI-UHFFFAOYSA-N 337.345 4.526 0 40 EJAB O=C(NCCC1=CCCCC1)[C@@H](Cc1ccc(O)cc1)c1ccccc1 1095624 JERYPDVGGSAFME-QFIPXVFZSA-N 349.474 4.725 0 40 EJAB CCCCCCSc1nnc2c3c4c(sc3ncn12)CCCC4 2296250 XPYPTCJCVUHITB-UHFFFAOYSA-N 346.525 4.890 0 40 EJAB CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C2 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Cc1cc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)c(C)o1 36640475 PDESUEWVUPSJGW-UHFFFAOYSA-N 332.359 4.957 0 40 EJAB CCOC(=O)c1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1 41127489 IUHZNCPYJGZYCS-UHFFFAOYSA-N 336.174 4.978 0 40 EJAB CN(Cc1ccc(Cl)c(Cl)c1)Cc1nc(-c2ccccc2)no1 58168678 VWEFCDLRLQSZPH-UHFFFAOYSA-N 348.233 4.675 0 40 EJAB CCCCn1c(SCc2ccccc2F)nc2ccccc2c1=O 61422203 LZHWPJGFDCKVDZ-UHFFFAOYSA-N 342.439 4.628 0 40 EJAB OCc1ccc(Cl)c(NCc2ncc(-c3cccc(Cl)c3)o2)c1 68923452 HFQSUDIJVCKMRI-UHFFFAOYSA-N 349.217 4.753 0 40 EJAB Cc1c(F)cccc1NC(=S)Nc1ccccc1Br 71326019 YDYGFDHHHNISQS-UHFFFAOYSA-N 339.233 4.706 0 40 EJAB Cc1cc(C(=O)N2CCS[C@@H](c3ccccc3Cl)CC2)c(C)o1 206992977 UCMFWOSIKAFFKL-QGZVFWFLSA-N 349.883 4.870 0 40 EJAB Cc1cc(Cl)ccc1C[C@@H](Oc1ccccc1C(C)C)C(=O)O 225074659 OASRAEKWQFHQCU-GOSISDBHSA-N 332.827 4.847 0 40 EJAB Cc1cc(C)cc(NC(=S)NCCCc2ccccc2Cl)c1 225539358 NJNVPQICEDHKQA-UHFFFAOYSA-N 332.900 4.876 0 40 EJAB CCN1C(=O)S/C(=C/c2c(OC(C)C)ccc3ccccc23)C1=O 409312366 LCEJYFOMTCTNRS-GZTJUZNOSA-N 341.432 4.683 0 40 EJAB Cc1ccc(C)c2sc(NC(=O)c3cccc4cnccc34)nc12 608587196 ZOOXCIOKQCAMJY-UHFFFAOYSA-N 333.416 4.714 0 40 EJAB Cc1ccncc1CC(=O)Nc1ccccc1NCC1CCCCC1 613398002 IRIRTSOGULWSAZ-UHFFFAOYSA-N 337.467 4.563 0 40 EJAB O=C(NC[C@H](c1ccco1)c1cccs1)c1ccc(Cl)s1 825566729 NMTBNACTXYQAHC-SNVBAGLBSA-N 337.853 4.618 0 40 EJAB O=C(C(c1ccccc1)c1ccccc1)N1CCC(=C2CCC2)CC1 1775966941 UKIWFDMOLKUSME-UHFFFAOYSA-N 331.459 4.921 0 40 EJAB CC(C)=CCn1cc(C(=O)c2ccc(C)cc2)c(=O)c2cc(F)ccc21 1889065419 RBEVMEFERJQOIF-UHFFFAOYSA-N 349.405 4.646 0 40 EJAB Cc1nc2cc(NC(=O)N3C[C@]4(C)C[C@H]3CC(C)(C)C4)ccc2o1 469686 QMYAVCOPHYGTJB-AUUYWEPGSA-N 327.428 4.569 0 40 EJAB CC[C@@H](Oc1ccccc1)C(=O)NC(c1ccccc1)c1ccccc1 2749188 GFFLPXHEKKSOEU-OAQYLSRUSA-N 345.442 4.750 0 40 EJAB CSc1ccccc1C(=O)Nc1nc(-c2ccc(F)cc2)cs1 3483512 TVKQBWDJOANSEJ-UHFFFAOYSA-N 344.436 4.923 0 40 EJAB C[C@@H]1N(C)c2cc(NC(=O)/C=C/c3ccc(F)cc3)ccc2C1(C)C 4869304 DNNFOJSNIWQBTN-GMMCIKNFSA-N 338.426 4.594 0 40 EJAB Cc1cc(C)c(-c2csc(NC(=O)Cc3cccs3)n2)c(C)c1 6221275 RXZDLRYJDZLRRB-UHFFFAOYSA-N 342.489 4.978 0 40 EJAB O=C(OCc1cc(-c2cccs2)on1)c1cc2ccccc2o1 7644841 WZJRVJLIGHHJSW-UHFFFAOYSA-N 325.345 4.506 0 40 EJAB O=C(c1ccccc1)c1ccc(C(=O)N2CCC[C@H]3CCCC[C@@H]32)cc1 7987578 PNCBTMDKRHJDFL-UTKZUKDTSA-N 347.458 4.712 0 40 EJAB CCSc1ccc(CC(=O)Nc2nc3ccc(F)cc3s2)cc1 10252438 XGZOCLFZBMGECE-UHFFFAOYSA-N 346.452 4.729 0 40 EJAB Cc1cc(C)cc(OCC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)c1 13648887 JXLHACMSLPVYIO-QGZVFWFLSA-N 339.479 4.857 0 40 EJAB Cc1cccc(CSc2nnc([C@H](C)Oc3ccccc3)n2C)c1 13849312 BXQJCIGIBBSVKT-HNNXBMFYSA-N 339.464 4.556 0 40 EJAB CC(=O)c1ccccc1NC(=O)c1ccccc1Cc1ccccc1 14379064 VNVRKUPFVBDKIA-UHFFFAOYSA-N 329.399 4.732 0 40 EJAB Cc1ccc(Cn2c(-c3ccc(C)cc3)nc3ccccc3c2=O)cc1 20799289 BDLRBUZETSLHBD-UHFFFAOYSA-N 340.426 4.729 0 40 EJAB Brc1cccc(CSc2cnc3ccccc3n2)c1 27544227 HVXOFEKOFBABMN-UHFFFAOYSA-N 331.238 4.685 0 40 EJAB O=C(/C=C/c1cccnc1)Nc1cccc(C2SCCCS2)c1 30932453 JYMGZSKRZURDSU-BQYQJAHWSA-N 342.489 4.602 0 40 EJAB COc1ccc([C@@H](NC(=O)c2ccc3[nH]c(C)c(C)c3c2)C2CC2)cc1 31257609 CWHLULTWLBYYFU-NRFANRHFSA-N 348.446 4.674 0 40 EJAB Cn1cccc1-c1cn2cc(-c3nc4ccccc4s3)ccc2n1 32727494 GEPBBTUDKCMDLK-UHFFFAOYSA-N 330.416 4.617 0 40 EJAB CN(Cc1ncc(-c2ccc(F)cc2)o1)Cc1ccccc1Cl 32751429 QLAPVLNDTQBOKH-UHFFFAOYSA-N 330.790 4.766 0 40 EJAB O=C(O)/C=C/c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1 33658340 LBMPAUAWVBTCMW-AATRIKPKSA-N 341.165 4.809 0 40 EJAB O=C(c1ccc(Br)cc1)c1ccc(Cl)cc1Cl 36941741 PSXTZFNVDSTTOM-UHFFFAOYSA-N 330.008 4.987 0 40 EJAB CCN(C(=O)Cc1cccs1)c1nc2cc(Cl)ccc2s1 40159728 QTLRPHMSMUZWSS-UHFFFAOYSA-N 336.869 4.607 0 40 EJAB O=C(Nc1cc(Cl)ccc1Cl)N1CCC[C@H]1c1ccccn1 56520386 NUCVZKABGPBEMR-HNNXBMFYSA-N 336.222 4.757 0 40 EJAB Cc1cccc(Cl)c1NC(=O)c1cc(-c2ccccc2Cl)[nH]n1 57412364 LIOVFJIRWRBQOP-UHFFFAOYSA-N 346.217 4.944 0 40 EJAB CCN(CC12CC3C[C@H](CC[C@@H](C3)C1)C2)C(=O)COc1ccccc1 101024364 CDOIPWOOYCXRHK-BXRCABCMSA-N 341.495 4.520 0 40 EJAB CC(C)Oc1ccc(NC(=S)NCCSc2ccccc2)cc1 225285246 NYODZERQUNHXQJ-UHFFFAOYSA-N 346.521 4.553 0 40 EJAB CCCO[C@@](C)(C(=O)Nc1ccc(O[C@H](C)CC)c(C)c1)C1CC1 225673602 WKVIPSOZPWCXHQ-FOIQADDNSA-N 333.472 4.706 0 40 EJAB CCc1ccc(NC(=S)N[C@H]2CCCc3cc(OC)ccc32)cc1 225702894 SRQRXCAGPJFHPU-IBGZPJMESA-N 340.492 4.622 0 40 EJAB CCCOc1ccc(NC(=O)[C@](C)(CC)OCCC)cc1Cl 225733131 NEYTVNQLHUZXGI-KRWDZBQOSA-N 327.852 4.663 0 40 EJAB Cc1cc(C)c(NC(=O)C(c2ccccc2)c2ccccc2)c(N)c1 226346918 RBQVALDGOAUYAG-UHFFFAOYSA-N 330.431 4.656 0 40 EJAB Cc1c(C2CCCCC2)noc1NC(=O)c1cc(F)c(F)cc1F 297737609 KVFDBGSRZLGVOL-UHFFFAOYSA-N 338.329 4.700 0 40 EJAB CCCCCN1C(=O)S/C(=C\c2cc(C)c(OC)cc2C)C1=O 409212362 QKTRJNXRDRYBEN-WJDWOHSUSA-N 333.453 4.539 0 40 EJAB Cc1cc([C@H](C)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)no1 519237749 UYKGBXJWKSBBJU-HNNXBMFYSA-N 332.407 4.779 0 40 EJAB O=C(c1ccc(COc2cc(F)ccc2F)cc1)C(F)(F)Cl 575242877 SSJPFGSGEGUJKX-UHFFFAOYSA-N 332.680 4.558 0 40 EJAB CCN(CC)CCOc1cccc(F)c1Oc1ccc(Cl)cc1 585265456 QPONANFPUSOQLK-UHFFFAOYSA-N 337.822 4.992 0 40 EJAB Cc1cccc(C)c1NC(=O)c1c(C)nn(-c2ccccc2)c1Cl 411380 KVXASRGLXVMQPK-UHFFFAOYSA-N 339.826 4.703 0 40 EJAB CCc1cccc(CC)c1NS(=O)(=O)c1ccc2ccccc2c1 571674 NMTJKNQXXMUFJJ-UHFFFAOYSA-N 339.460 4.765 0 40 EJAB Cc1c(OCc2ccccc2)c(C(F)(F)F)nn1-c1ccccc1 1396750 PMXLRRKCXQBFJU-UHFFFAOYSA-N 332.325 4.779 0 40 EJAB c1ccc(-c2csc3ncn4c(-c5ccccc5)nnc4c23)cc1 1465777 XCNHGNCRUSYBSG-UHFFFAOYSA-N 328.400 4.673 0 40 EJAB CCCCOc1cccc2c1CCN(Cc1ccc(Cl)cc1)C2=O 2716434 VSXDXXZMRSOZNJ-UHFFFAOYSA-N 343.854 4.717 0 40 EJAB O=C(CCSc1nc2ccccc2s1)Nc1ccc(F)cc1 4168169 RBYGPKQICKFBGJ-UHFFFAOYSA-N 332.425 4.556 0 40 EJAB Brc1ccc(NC2CCN(Cc3ccccc3)CC2)cc1 4749408 VXIOFCHPJMUMDU-UHFFFAOYSA-N 345.284 4.526 0 40 EJAB Cc1nc(C)c(C(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)s1 5183506 FWEYAKJDDSCFRQ-UHFFFAOYSA-N 347.440 4.583 0 40 EJAB COc1cccc2c1OC1(CCCC1)N1N=C(c3ccccc3)C[C@H]21 5235421 JMLHZBYCPQEOFH-GOSISDBHSA-N 334.419 4.509 0 40 EJAB O=C1c2ccc(Cl)c3c(Cl)ccc(c23)C(=O)N1c1ccccc1 5603889 WQUWIBZARZWIJW-UHFFFAOYSA-N 342.181 4.947 0 40 EJAB COc1ccc(C)cc1[C@@H](C)NC(=O)c1ccc(C(F)(F)F)cc1 7922758 REUOPLZAMWCMRB-GFCCVEGCSA-N 337.341 4.513 0 40 EJAB CC(=O)Nc1ccc(-c2nc(-c3cccc(F)c3)sc2C)cc1 8225561 IBFSCMJDIDZGHN-UHFFFAOYSA-N 326.396 4.883 0 40 EJAB CC(C)Oc1cccc(NC(=O)COc2ccc(C(C)(C)C)cc2)c1 10715503 WYTCBUDDEGBYRB-UHFFFAOYSA-N 341.451 4.789 0 40 EJAB COc1ccc(/C=C/C(=O)O)cc1OCc1cccc2ccccc12 11863174 ZMQAKGKIGWTOTA-ZRDIBKRKSA-N 334.371 4.525 0 40 EJAB C[C@H](Nc1ncnc2sccc12)c1nc2ccccc2n1C(F)F 12525592 XPEZRRKAKDDRPH-VIFPVBQESA-N 345.378 4.609 0 40 EJAB Cc1ccc(NC(=O)c2cc(-c3ccco3)nc3onc(C)c23)c(C)c1 12998884 CXHGXYZTSZPKCY-UHFFFAOYSA-N 347.374 4.660 0 40 EJAB Cc1ccc(-c2ncc(Cl)cc2-c2ccc([S@](C)=O)cc2)cn1 13977527 SLXXLDBGJKCVGS-HSZRJFAPSA-N 342.851 4.510 0 40 EJAB Cc1ccoc1C(=O)Nc1nc(-c2c(C)[nH]c3ccccc23)cs1 14095267 QSGOWVWNXGRKDK-UHFFFAOYSA-N 337.404 4.754 0 40 EJAB CCC(=O)NC1=Nc2ccccc2N=C(CC)[C@H]1c1ccc(F)cc1 14608088 RQIRDTIJIVCHBL-LJQANCHMSA-N 337.398 4.662 0 40 EJAB Cc1nn(-c2ccccc2)c2nc3c(nc12)-c1cccc2cccc-3c12 16266349 ZUHONOBVGIAZLV-UHFFFAOYSA-N 334.382 4.925 0 40 EJAB Fc1cccc(CN[C@H](Cc2ccsc2)c2nccs2)c1F 19292769 ROPFNLNCASTPEQ-CQSZACIVSA-N 336.432 4.556 0 40 EJAB O=C(Nc1c(-c2ccc(Cl)cc2)nc2ccccn12)c1ccccc1 19898836 MOIWMWFASZPJIT-UHFFFAOYSA-N 347.805 4.907 0 40 EJAB CCc1ccc(-c2nn3c(-c4cc(C)cc(C)c4)nnc3s2)cc1 19910169 YWSDYIDMJYWKHC-UHFFFAOYSA-N 334.448 4.699 0 40 EJAB CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@H](C)c1ccc(C)cc1C 20044825 RCBYSJJIFOQPHL-QUCCMNQESA-N 339.479 4.955 0 40 EJAB Cc1ccc(O[C@@H](C)C(=O)N[C@@H](CC(C)C)c2ccccc2)cc1 20105149 JXJFUODVLHEOIS-PXNSSMCTSA-N 325.452 4.666 0 40 EJAB CCCCCNC(=O)c1ccc(OCCSc2ccccc2)cc1 20495135 UTDNQKAKQXWVFQ-UHFFFAOYSA-N 343.492 4.778 0 40 EJAB Cc1ccc([C@H]2CC(=O)c3c(C)nn(-c4cccc(C)c4)c3C2)cc1 20632860 XQLUXSIDQOGLJK-GOSISDBHSA-N 330.431 4.710 0 40 EJAB Cc1ccc(C(=O)Nc2nc3c(s2)C[C@H](C(C)(C)C)CC3)cc1 20897367 UDCNTNGBVRFBOZ-CQSZACIVSA-N 328.481 4.855 0 40 EJAB COc1cccc(CNC(c2ccccc2)c2ccccc2)c1OC 22772454 NEYHXZNWMGHYQN-UHFFFAOYSA-N 333.431 4.583 0 40 EJAB C[C@@H](NC(=O)c1csc(-c2ccco2)n1)c1cc2ccccc2o1 29543849 SRTXOBPPUCKDLB-LLVKDONJSA-N 338.388 4.640 0 40 EJAB O=C(NC1CCCCCCC1)N[C@H](c1ccccc1)c1ccccn1 29722792 PVQMYHADQVMWPA-HXUWFJFHSA-N 337.467 4.583 0 40 EJAB CC(C)(C)c1ccc2cc(C(=O)N3CCC[C@@H]3c3ccncc3)[nH]c2c1 29789861 VFWWZSMJMMOBBA-HXUWFJFHSA-N 347.462 4.838 0 40 EJAB CCc1cccc(C)c1NC(=O)[C@@H](CC)Oc1cccc(C)c1C 30852762 OVSPRTLEDSATGR-GOSISDBHSA-N 325.452 4.970 0 40 EJAB Cc1ccc(NC(=O)CSCc2csc(-c3ccco3)n2)cc1 31420306 MUKLVVSJZRRABT-UHFFFAOYSA-N 344.461 4.583 0 40 EJAB Oc1ccc([C@@H]2NC[C@@H](c3cccs3)c3c2[nH]c2ccccc32)cc1 32666107 VRGSDOREZIQCQX-JXFKEZNVSA-N 346.455 4.760 0 40 EJAB COc1cccc(NC(=O)c2cc3occc3n2Cc2ccccc2)c1 36366789 RJHLRKKPCYRLJY-UHFFFAOYSA-N 346.386 4.544 0 40 EJAB Cc1[nH]c2ccc(C(=O)N(C)Cc3ccc([C@H]4C[C@H]4C)o3)cc2c1C 45927542 RRYUPXSQGLEUQE-PXAZEXFGSA-N 336.435 4.773 0 40 EJAB O=C(Nc1ccc(Br)cc1C(F)(F)F)[C@H]1CC=CCC1 72310506 IPJBVPRQPLSKIT-VIFPVBQESA-N 348.162 4.763 0 40 EJAB CCc1ccc([C@@H](C)NC(=O)c2cnc(C)c(Cl)c2Cl)cc1 89284769 CQWWSIMJQGMJAB-SNVBAGLBSA-N 337.250 4.750 0 40 EJAB O=c1[nH]c2c(s1)[C@H](c1ccc(Cl)cc1)[C@H]1[C@@H](S2)[C@@H]2CC[C@@H]1C2 101940766 ATOKCVQCCLMGBV-SFYZRTLMSA-N 349.908 4.742 0 40 EJAB CCNC(=O)c1ccc(Nc2ccccc2Oc2ccccc2)c(N)c1 225448275 UUXJKELRWLDOOC-UHFFFAOYSA-N 347.418 4.554 0 40 EJAB CCCO[C@@](C)(C(=O)Nc1cc(C)c(OC(C)C)c(C)c1)C1CC1 225674111 PZUDXYCGGLXRIU-HXUWFJFHSA-N 333.472 4.624 0 40 EJAB C[C@H](SCc1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1 408771121 DFDJYYFCPOKUIM-LBPRGKRZSA-N 339.382 4.966 0 40 EJAB Cc1cc2cc[nH]c2cc1NC(=O)c1c(F)cccc1Br 547725801 RZQSITZWZNBVBO-UHFFFAOYSA-N 347.187 4.630 0 40 EJAB CCC(=O)N(Cc1ccco1)c1nc(-c2ccc(C)cc2)cs1 932714 IOBMWONFZQSUEA-UHFFFAOYSA-N 326.421 4.655 0 40 EJAB COc1cc(NCCN(CC(C)C)[C@H](C)C(C)C)c2ncccc2c1 1621070 QOFYEMDBVKFVBT-QGZVFWFLSA-N 343.515 4.658 0 40 EJAB O=C(c1ccccc1)N1C[C@H](c2ccccc2)C=C1c1ccccc1 3846228 PFQLDHTUHBCQLN-OAQYLSRUSA-N 325.411 4.967 0 40 EJAB biogenic COc1ccc([C@H](CCN(Cc2ccccc2)C(C)=O)C(C)C)cc1 4042848 YDKXNFONMNHVIV-JOCHJYFZSA-N 339.479 4.874 0 40 EJAB biogenic CCOC(=O)c1ccc(Cl)c(NC(=O)[C@H](CC)c2ccccc2)c1 4660002 HSDGSVVNVWAMFV-OAHLLOKOSA-N 345.826 4.649 0 40 EJAB CC(C)N1C(=O)S/C(=C/c2ccc(-c3ccc(F)cc3)o2)C1=O 4668683 YAFMRHGEFGVLPT-OQLLNIDSSA-N 331.368 4.530 0 40 EJAB CSCC[C@H]1Oc2ccccc2[C@H]2CC(c3ccc(C)cc3)=NN12 5163820 PACSKYNGPFMXIT-UYAOXDASSA-N 338.476 4.618 0 40 EJAB c1ccc(CNCc2cn(-c3ccccc3)nc2-c2cccs2)cc1 6784915 IQUUSXDXQLCVMD-UHFFFAOYSA-N 345.471 4.891 0 40 EJAB CSc1nc2scc(-c3ccccc3)c2c(=O)n1C1CCCC1 6879989 MVNUYGLYRHVSLV-UHFFFAOYSA-N 342.489 4.962 0 40 EJAB CC[C@H](O)c1nc2ccccc2n1CCCOc1cccc(C)c1C 7548846 RGMWNJXJOKPUSZ-IBGZPJMESA-N 338.451 4.566 0 40 EJAB Cc1ccc(-c2nc(-c3ccc4c(c3)CC(=O)N4C)cs2)c(C)c1 8298032 NXLONVUVFDUVJV-UHFFFAOYSA-N 334.444 4.613 0 40 EJAB CCOc1cccc(C(=O)Nc2ccc(N3CCCC[C@H]3C)cc2)c1 9064468 YMBNBHQUQFTPKB-MRXNPFEDSA-N 338.451 4.716 0 40 EJAB COc1ccc(OC)c(NC(=O)c2cccc3c(Cl)cccc23)c1 9141516 GZCUKWKXBHMIQG-UHFFFAOYSA-N 341.794 4.763 0 40 EJAB Cc1ccc(Cl)cc1NC(=O)COc1cccc(C(F)(F)F)c1 10860367 GQHYMECVIWYAKN-UHFFFAOYSA-N 343.732 4.685 0 40 EJAB CCC(CC)c1cc[n+](Cc2cc(Cl)c3c(c2)OCCCO3)cc1 11157485 WPZXVRBSQYMWGG-UHFFFAOYSA-N 346.878 4.741 0 40 EJAB COc1cccc(C2(NCc3ccc4ncccc4c3)CCCC2)c1 12328239 UZAAKIGRSITCDV-UHFFFAOYSA-N 332.447 4.803 0 40 EJAB COc1ccc(-c2nc(CN(C)Cc3ccccc3Cl)co2)cc1 12763794 RUWOYNNYMNDEKB-UHFFFAOYSA-N 342.826 4.636 0 40 EJAB Cc1ccc(NC(=O)c2cc(-c3ccco3)nc3onc(C)c23)cc1C 12924723 UDWGCZRAVZUFRZ-UHFFFAOYSA-N 347.374 4.660 0 40 EJAB CC(C)(C)c1ccc(C(=O)Nc2ccc(Cl)c(C(=O)O)c2)cc1 20137663 RUXSALDNLMVAAF-UHFFFAOYSA-N 331.799 4.588 0 40 EJAB O=C1Nc2ccc(OCc3ccccc3)cc2Sc2ccccc21 22051118 ILEHOLFZCSNFEM-UHFFFAOYSA-N 333.412 4.983 0 40 EJAB in-vitro C[C@@H]1Cc2ccccc2N1C(=O)c1cc(-c2ccc(Cl)cc2)on1 37143488 BJLYSGMQQNUFMK-GFCCVEGCSA-N 338.794 4.586 0 40 EJAB O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)c1ccc(F)cc1F 40107072 HNOWFAGUGPFLHZ-UHFFFAOYSA-N 344.292 4.544 0 40 EJAB CCOCCCC(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 40130471 DJMBABXJLTVOHW-UHFFFAOYSA-N 340.448 4.719 0 40 EJAB O=c1[nH]c(-c2ccc(F)cc2)nc2scc(-c3cccs3)c12 55490861 FKLNZKUTRYTHAS-UHFFFAOYSA-N 328.393 4.519 0 40 EJAB O=C([C@@H]1C[C@@H]1c1cccc(Cl)c1)N1CCCC[C@@H]1c1nccs1 72285870 LJDINNTZVDFUQD-BZUAXINKSA-N 346.883 4.654 0 40 EJAB Cc1cccc(-c2cccc([C@H]3CCCN(Cc4cccnc4)C3)n2)c1 72348833 BGPKMWCMFXEWDE-NRFANRHFSA-N 343.474 4.832 0 40 EJAB C[C@H]1CCCC[C@@H]1OCCN1CCC(c2nc3ccccc3o2)CC1 84691958 LNKVEKLVCUJCFQ-LPHOPBHVSA-N 342.483 4.603 0 40 EJAB Cc1cccc(C(=O)Nc2c(O)c(Cl)cc(Cl)c2Cl)c1 89669054 QLAHMSIXRVZMCM-UHFFFAOYSA-N 330.598 4.913 0 40 EJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H]1CCCc2ccccc21 113956438 ZJTUPBMBKAVNAT-RTBURBONSA-N 343.854 4.691 0 40 EJAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(F)c(F)c1 113970053 FFHJUKYILCOZTB-MRXNPFEDSA-N 339.769 4.723 0 40 EJAB Cc1ccccc1NC(=O)N1CCS[C@@H](c2cccs2)CC1 219534969 PSZGJUUUCPRSHR-MRXNPFEDSA-N 332.494 4.769 0 40 EJAB Cc1ccc(C)c([C@H](C)NC(=O)COc2ccccc2C(C)(C)C)c1 222796283 UYRJOIHIBNUAHJ-KRWDZBQOSA-N 339.479 4.857 0 40 EJAB COc1cc(C)c([C@H](C)NC(=O)Cc2ccc(F)cc2)cc1C(C)C 223376700 ZPPSJNKGCNYNRZ-HNNXBMFYSA-N 343.442 4.686 0 40 EJAB CC[C@@H](NC(=O)COc1ccc2c(c1)CCCC2)c1ccccc1C 224352971 VFFZFGOXNDZOHO-OAQYLSRUSA-N 337.463 4.520 0 40 EJAB CCc1ccccc1C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)O 225040322 OAFJFDFNIRSJEY-QFIPXVFZSA-N 346.426 4.991 0 40 EJAB Cc1ccc(Cl)cc1N(C)S(=O)(=O)c1ccc2ccccc2c1 225054780 NIRMFBSNUPWYBR-UHFFFAOYSA-N 345.851 4.627 0 40 EJAB O=C(Nc1ccc2ncccc2c1)c1ccc(Oc2nccs2)cc1 225636712 GJTKPYBXNYCVPM-UHFFFAOYSA-N 347.399 4.736 0 40 EJAB CCOC(=O)/C=C/c1ccc(-c2ccc(Br)c(C)c2)o1 226256584 GIJKDCWQJHUBFU-RMKNXTFCSA-N 335.197 4.594 0 40 EJAB CCOc1ccc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1 408558726 SHWMQUPHTGGARY-KRWDZBQOSA-N 333.840 4.517 0 40 EJAB Fc1cccc2nc(N3CCCC[C@H]3c3nc4ccccc4[nH]3)oc12 624260304 JIRUGCOSGVFNEL-INIZCTEOSA-N 336.370 4.575 0 40 EJAB Fc1ccc2c(C3CCN(c4ncc(Cl)cc4F)CC3)noc2c1 685921542 KDABHYFPZUEGHH-UHFFFAOYSA-N 349.768 4.538 0 40 EJAB CC1(Nc2nc(-c3ccccc3)nc3ccccc23)CC(F)(F)C1 1643133782 XNVGYKNTWVFVMV-UHFFFAOYSA-N 325.362 4.897 0 40 EJAB Cc1sc2ncnc(Oc3ccc4c(C)cc(=O)oc4c3)c2c1C 38153 DFMMBCDBJQOWPR-UHFFFAOYSA-N 338.388 4.515 0 40 EJAB Cc1cccc(C(C)C)c1NC(=O)c1cncc(Br)c1 140405 VNKTVRGCEZLOOQ-UHFFFAOYSA-N 333.229 4.528 0 40 EJAB Cc1nc2cc(NC(=O)N3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)ccc2o1 469687 QMYAVCOPHYGTJB-LIRRHRJNSA-N 327.428 4.569 0 40 EJAB O=C(c1cc2c(C(F)(F)F)onc2c2ccccc12)C(F)(F)F 1630275 KEBWDNXYMFJTRK-UHFFFAOYSA-N 333.187 4.745 0 40 EJAB CCCCCCc1c(C)c2ccc(O[C@@H](C)C(C)=O)cc2oc1=O 1902765 DRXWYMNJMRKMQY-HNNXBMFYSA-N 330.424 4.581 0 40 EJAB biogenic Cc1ccc(NC(=O)c2ccc(-n3nc(C)cc3C)cc2)c(Cl)c1 3236390 ZYEOXDYBVYXHOB-UHFFFAOYSA-N 339.826 4.703 0 40 EJAB COc1cccc(C(c2cccc(OC)c2)c2ccccc2C(=O)O)c1 4692431 FSLFYNWIPDXIFO-UHFFFAOYSA-N 348.398 4.582 0 40 EJAB CCOc1cc(C(=O)Nc2cc(C)ccc2C)cc(Cl)c1OC 4705233 OZZOQVPGLKFFQE-UHFFFAOYSA-N 333.815 4.616 0 40 EJAB CCc1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1 5674353 MLSOVCAVVYPJHS-UHFFFAOYSA-N 338.632 4.917 0 40 EJAB O=C(CSCc1cccc2ccccc12)N1CCc2ccccc2C1 6844424 GXUKRDDXWGZLHK-UHFFFAOYSA-N 347.483 4.658 0 40 EJAB Cc1nc(Oc2ccc(-n3ccnc3)cc2)c2c(C)c(C)sc2n1 7725582 MEONTJTYIDFCNR-UHFFFAOYSA-N 336.420 4.595 0 40 EJAB C[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc(Cl)cc3)=NN12 12273851 RBWGKDKKNHJEOR-MGPLVRAMSA-N 333.218 4.883 0 40 EJAB Cc1ccc(NC(=O)N2CC=C(c3ccc(O)cc3)CC2)cc1Cl 12913881 NVJCVDAFOJUWCO-UHFFFAOYSA-N 342.826 4.675 0 40 EJAB CCn1c(Cc2cccs2)nnc1SCc1cccc(Cl)c1 14112951 AAPUDCWBZRQURW-UHFFFAOYSA-N 349.912 4.896 0 40 EJAB O=C(Nc1ccncc1)c1oc2ccccc2c1COc1ccccc1 17583872 SPSFTUBBASRUTF-UHFFFAOYSA-N 344.370 4.659 0 40 EJAB COc1ccc([C@H]2CCCN2Cc2coc(-c3ccc(C)cc3)n2)cc1 24961621 LALOHAOOBCASSG-OAQYLSRUSA-N 348.446 4.996 0 40 EJAB O=C(Nc1ccc(SC(F)F)cc1)N1CCC[C@@H]1c1ccncc1 43118811 PJYXCTYKZHXQRL-OAHLLOKOSA-N 349.406 4.765 0 40 EJAB CC(C)C[C@H](NC(=O)c1nc(Cl)ccc1Cl)c1cccs1 48324711 QEFFZWDUXDBTSZ-NSHDSACASA-N 343.279 4.967 0 40 EJAB FC(F)(F)Oc1ccc([C@@H]2NCc3ccccc3-n3cccc32)cc1 55211071 JJEXDQGGUVTJJC-SFHVURJKSA-N 344.336 4.569 0 40 EJAB Cc1cc(Sc2ccccc2)ncc1CNC(=O)OC(C)(C)C 72223177 FZTAVJMTDDKWFT-UHFFFAOYSA-N 330.453 4.566 0 40 EJAB O=C(c1cccs1)N1N=C(c2ccsc2)C[C@@H]1c1ccccc1 79112234 ZBJDOXWXCVYDEC-MRXNPFEDSA-N 338.457 4.801 0 40 EJAB CCCCCc1ccc([C@H](CC)N[C@@H](C)c2nnc3n2CCC3)cc1 95940744 GNKRTYNTCIBSJZ-LPHOPBHVSA-N 340.515 4.759 0 40 EJAB COc1ccc2c(c1Oc1ccccc1)[C@]13CC=CC=C1[C@H](C2)NCC3 96316413 YGXWFNJFMMVROW-CVDCTZTESA-N 345.442 4.530 0 40 EJAB biogenic,in-vitro CC(C)(C)C(=O)Nc1c(NC2CCCCC2)c2ccccc2oc1=O 101096611 BJFGTYRFSHWHDO-UHFFFAOYSA-N 342.439 4.522 0 40 EJAB CCS[C@@H]1CC[C@H](N[C@H](C)c2cc(Cl)c(N)c(Cl)c2)C1 108139563 IAJBWDLSSIBMSE-ADEWGFFLSA-N 333.328 4.900 0 40 EJAB CC[C@H](NC(=O)[C@H](C)Sc1ccccc1)c1ccc(OC)c(C)c1 224738723 BXVARSXUEKFXNH-YJBOKZPZSA-N 343.492 4.752 0 40 EJAB CCc1ccc(OCCNC(=O)CCc2cccc3ccccc23)cc1 224940137 UHJRHYDCFBVAIS-UHFFFAOYSA-N 347.458 4.530 0 40 EJAB Cc1ccccc1CNc1ccccc1NC(=O)[C@@H](C)c1ccccn1 252489711 JYAOVEFNAWDSRX-KRWDZBQOSA-N 345.446 4.744 0 40 EJAB COc1ccccc1C(=O)Nc1nc2c(C)c(Cl)ccc2s1 2713955 IBZYNPQJNRQSGX-UHFFFAOYSA-N 332.812 4.519 0 40 EJAB O=C(c1cccc(Br)c1)c1ccc(Cl)c(Cl)c1 4241512 XFQXEVYYULCMIR-UHFFFAOYSA-N 330.008 4.987 0 40 EJAB CCOc1ccc(NC(=O)c2ccoc2COc2ccccc2)cc1 5033009 BEEJBEOQRPLBAO-UHFFFAOYSA-N 337.375 4.510 0 40 EJAB CCOc1ccc(C(=O)N[C@@H](C)c2ccc3ccccc3c2)cc1OC 8189776 RVRJCVNZQMCZEF-HNNXBMFYSA-N 349.430 4.738 0 40 EJAB COc1ccc(-c2noc(CSc3ccc(C)c(C)c3)n2)cc1 8573656 WSZDXXAUURUADQ-UHFFFAOYSA-N 326.421 4.654 0 40 EJAB Cc1cc(C)c(NC(=O)[C@H]2Cc3ccc(C)cc3S2)c(Cl)c1 12930596 RRRSBFZIQZXQPZ-MRXNPFEDSA-N 331.868 4.921 0 40 EJAB CC[C@H]1CN(Cc2ccccc2)Cc2cc3cccc(C)c3nc2O1 13563868 PVKKPUHYIMCOEU-FQEVSTJZSA-N 332.447 4.716 0 40 EJAB CCc1cccc(C)c1Nc1nnc(S[C@H]2CCCCC2=O)s1 16328019 XUHKSKVVQNQPRO-AWEZNQCLSA-N 347.509 4.756 0 40 EJAB Cc1ccc(-c2cc(-c3nnc(S)n3C)c3ccccc3n2)cc1C 17072154 JYSKTSLRNDMSKJ-UHFFFAOYSA-N 346.459 4.603 0 40 EJAB Clc1ccc(C[n+]2cc(-c3ccc(Cl)cc3)n3c2CCC3)cc1 17250201 HVNOCEVIGOWRIO-UHFFFAOYSA-N 344.265 4.744 0 40 EJAB Cc1[nH]c2ccc(C(=O)N[C@@H](C)c3cccc(Cl)c3)cc2c1C 17908450 OQLZERBUSCSRMX-ZDUSSCGKSA-N 326.827 4.929 0 40 EJAB Fc1ccccc1NC(=S)NCCSc1ccc(Cl)cc1 18138288 SIYNPHLBZDVTEY-UHFFFAOYSA-N 340.876 4.558 0 40 EJAB O=C(O)c1cccc(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)c1 20140181 AERYGXXVEPXJFO-UHFFFAOYSA-N 341.750 4.551 0 40 EJAB O=C(CCc1ccccc1F)N[C@H](c1ccccc1)c1cccs1 25603172 XQMKQBPKJSPYHZ-HXUWFJFHSA-N 339.435 4.726 0 40 EJAB CCC(C)(C)C1CCC(NC(=O)c2[nH]c3c(c2C)C(=O)CCC3)CC1 26041820 DZBDABURADZLIH-UHFFFAOYSA-N 344.499 4.567 0 40 EJAB CCOc1ccc([C@H](C)NC(=O)CCSc2ccc(C)cc2)cc1 26049021 YFYAHBYAQPMLFA-INIZCTEOSA-N 343.492 4.753 0 40 EJAB Cc1noc(C)c1CSc1ncc(-c2ccccc2)n1C1CC1 32899127 DUYQBLQEABQTDP-UHFFFAOYSA-N 325.437 4.782 0 40 EJAB C[C@H](NC(=O)[C@@H]1CC1(Cl)Cl)c1ccc(-c2ccccc2)cc1 32978375 DFUGJOZIEKEUPY-LRDDRELGSA-N 334.246 4.725 0 40 EJAB Cc1ccc2nc(-c3cccc(O)c3)c(Nc3ccc(F)cc3)n2c1 35616386 JSBXKSYKXBGXDC-UHFFFAOYSA-N 333.366 4.898 0 40 EJAB Fc1ccc(-c2cnc(SCc3ccc4c(c3)OCCO4)o2)cc1 58377615 NTINISKXUCVEDV-UHFFFAOYSA-N 343.379 4.544 0 40 EJAB CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)c1 58969478 RLWFEGVPCPTLMN-MRXNPFEDSA-N 339.435 4.727 0 40 EJAB C[C@H](Nc1ncnc2sc(Br)cc12)c1ccccc1 66348348 VRNQAFKWBFDABH-VIFPVBQESA-N 334.242 4.627 0 40 EJAB CC(C)(C)c1cn2nc(N[C@H]3CCc4c(Cl)cccc43)sc2n1 69625239 NPEKHYIGOCNXIS-ZDUSSCGKSA-N 346.887 4.841 0 40 EJAB Cc1cc([C@@H](C)NC(=O)Nc2ccc3c(c2)CCCN3C)c(C)s1 84081848 QVAGJXSPQVUAID-CYBMUJFWSA-N 343.496 4.630 0 40 EJAB Cc1cc([C@@H](O)c2cccc(Br)c2)cc(C)c1Cl 95730277 YBKYDDQLNUEKRN-HNNXBMFYSA-N 325.633 4.801 0 40 EJAB CCN(C(=O)[C@H](C)SCc1ccc(OC)c(F)c1)c1ccccc1 97151279 ZSXAYHIRSREABD-AWEZNQCLSA-N 347.455 4.509 0 40 EJAB CC[C@@H](NC(=O)CCc1ccc(Cl)cc1)c1ccc(OC)c(C)c1 225313027 XVXUXUCRHVLWFS-GOSISDBHSA-N 345.870 4.857 0 40 EJAB CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OC)cc1 225741306 XEDKIVUVQRGOQF-UHFFFAOYSA-N 335.488 4.891 0 40 EJAB Cc1ccc(NC(=S)NC2(c3cccnc3)CCCC2)cc1Cl 225852662 JNNZKGVTHFASSK-UHFFFAOYSA-N 345.899 4.799 0 40 EJAB CC(C)CCC[C@]1(C)Oc2ccccc2[C@H]2OC[C@@]3(CCCN3)C[C@@H]21 257336743 YPUZPBNINFBEJG-WSWWRLHASA-N 343.511 4.864 0 40 EJAB CC(C)Oc1ccc(C(=O)NCc2ccc(-c3ccoc3)cc2)cc1 390830740 NABQPWCIQWUKBO-UHFFFAOYSA-N 335.403 4.664 0 40 EJAB CC(C)(C)Oc1cccc(CSc2ncnc3ccsc23)n1 507555186 YWRAHCNHCYCZID-UHFFFAOYSA-N 331.466 4.556 0 40 EJAB OCCN(Cc1cccc(CC2CCC2)c1)[C@H]1CCc2ccccc21 1621182040 RCYDDMSILGLYSZ-QHCPKHFHSA-N 335.491 4.511 0 40 EJAB Cc1cc(C)cc(NC(=O)Cn2cc(C(=O)C(C)C)c3ccccc32)c1 560765 JHWDVFRKTOAMAZ-UHFFFAOYSA-N 348.446 4.736 0 40 EJAB Cn1c(SC/C=C/c2ccccc2)nnc1-c1cccc(Cl)c1 2438847 RVQBJIUPEVDCJD-RMKNXTFCSA-N 341.867 4.941 0 40 EJAB COc1ccc(CSc2ncnc3sc(C)c(C)c23)cc1F 2620061 MNYBMRURLRJGKC-UHFFFAOYSA-N 334.441 4.748 0 40 EJAB CCOc1ccccc1OCCC(=O)Nc1ccc2ccccc2c1 3293741 XLNOHVBSEZPXIM-UHFFFAOYSA-N 335.403 4.646 0 40 EJAB CCCCCCC(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1 4189271 QFPHJNORNSVTGI-UHFFFAOYSA-N 337.876 4.691 0 40 EJAB O=C(CCSc1ccccc1)Nc1nc2c(F)cccc2s1 4331616 XGLCPOUMBXLAMZ-UHFFFAOYSA-N 332.425 4.556 0 40 EJAB O=C(Nc1ncc(Cc2ccccc2Cl)s1)C1CCCCC1 4504539 VBSCOGANLRBAIP-UHFFFAOYSA-N 334.872 4.906 0 40 EJAB CC(C)COc1cccc(C(=O)Nc2ccccc2N2CCCC2)c1 5024578 AHEGJTALSPMCSN-UHFFFAOYSA-N 338.451 4.574 0 40 EJAB Cc1c(Br)cc2c(=O)cc(-c3ccccc3)oc2c1C 5536604 XRHYMGBVWPFIDD-UHFFFAOYSA-N 329.193 4.839 0 40 EJAB O=C(c1ccc(OCc2ccccc2Cl)cc1)N1CCCCCC1 7700323 NOEYBHQJGWBUNF-UHFFFAOYSA-N 343.854 4.935 0 40 EJAB CSc1ccc(CN(C)[C@H](C)c2nnc(-c3cccs3)o2)cc1 7918596 YLMHSGRFASYVHD-GFCCVEGCSA-N 345.493 4.713 0 40 EJAB CCc1cccc(C)c1NC(=O)c1sc(-c2ccccn2)nc1C 8007558 CWIMFKBBENICQB-UHFFFAOYSA-N 337.448 4.637 0 40 EJAB CCc1ccc(CN(C)[C@H](C)c2nnc(-c3ccc(F)cc3)o2)cc1 9836686 LUPPCVGHAFPIAG-CQSZACIVSA-N 339.414 4.631 0 40 EJAB CCCCOc1cccc(C(=O)Nc2ccc3ncsc3c2)c1 10217261 NPPGPOQBKLZYEI-UHFFFAOYSA-N 326.421 4.728 0 40 EJAB CC(=O)N[C@H](C)CCc1ccc(-c2csc(-c3ccco3)n2)cc1 12738220 VHMUKGBFTAKMAN-CYBMUJFWSA-N 340.448 4.527 0 40 EJAB Cc1ccc(Cl)cc1NC(=O)c1cc(C2CC2)nc2onc(C)c12 12768217 KMXZXAMZTFQKKF-UHFFFAOYSA-N 341.798 4.623 0 40 EJAB Oc1ccc(-c2csc(Cc3c(F)cccc3Cl)n2)c(O)c1 23624532 LOENHCYGSHYOLP-UHFFFAOYSA-N 335.787 4.605 0 40 EJAB O=C(CCc1ccco1)Nc1ccc(-c2nc3ccccc3o2)cc1 24829452 NSLYHEATCXBMBE-UHFFFAOYSA-N 332.359 4.659 0 40 EJAB CCOc1ccccc1NC(=O)c1cc(-c2ccc(C)c(C)c2)on1 27583554 HNXIRBDMTMQHRQ-UHFFFAOYSA-N 336.391 4.609 0 40 EJAB C[C@H](N(C)C(=O)/C=C/c1ccc2ccc(Cl)cc2n1)C(C)(C)C 30420845 DLDLYDFSMTVWDE-NHAQELONSA-N 330.859 4.794 0 40 EJAB COc1ccc(NC(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)cc1 32716568 WYHLGDOTSACGBV-CQSZACIVSA-N 335.403 4.599 0 40 EJAB Cc1ccccc1[C@H](NC(=O)CCc1ccccc1)c1ccccc1 38753243 ODJVFUDWJISGBK-HSZRJFAPSA-N 329.443 4.833 0 40 EJAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N[C@@H](C)c1ccc(C)cc1 44849560 MODVMAMWKMOTAA-PKOBYXMFSA-N 325.452 4.647 0 40 EJAB COc1ccccc1NC(=O)[C@@H](C)N[C@@H](C)c1ccc2ccccc2c1 57315513 MEECJANBIBTQKO-JKSUJKDBSA-N 348.446 4.526 0 40 EJAB Cc1ccc([C@H](C)NC(=O)COc2ccc3ccccc3c2)c(C)c1 59351587 XSFHDMPTNPIMIV-KRWDZBQOSA-N 333.431 4.713 0 40 EJAB c1ccc(Cc2nc(COc3ccc4ncccc4c3)cs2)cc1 65205825 RCPYULOZTVXUHJ-UHFFFAOYSA-N 332.428 4.861 0 40 EJAB CC(C)c1csc(C2CCN(C(=O)c3ccc(Cl)o3)CC2)n1 69846555 AFHZLSVPQYKFIU-UHFFFAOYSA-N 338.860 4.533 0 40 EJAB CN1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 72215456 WGMWVMSCMGZMBR-KRWDZBQOSA-N 345.487 4.532 0 40 EJAB O=C(c1ccccc1)N1CCC[C@H]1c1cccc(Cc2ccccc2)n1 72357583 FKVZBLOAHYWZRY-QFIPXVFZSA-N 342.442 4.650 0 40 EJAB Cc1nc2ccc(F)cc2c(O)c1CN1C[C@]2(C)C[C@@H]1CC(C)(C)C2 101087251 YOSGGYHRSTYGDH-YCRPNKLZSA-N 342.458 4.789 0 40 EJAB CC[C@@H](NC(=O)CSCc1ccc(F)cc1)c1ccc(C)c(C)c1 219262845 WHSBTZHIRQADIQ-LJQANCHMSA-N 345.483 4.943 0 40 EJAB Cc1ccc(OCC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1 222759791 QVEBHWKNTFCXKD-MRXNPFEDSA-N 325.452 4.549 0 40 EJAB CCCC[C@@H](C(=O)OC)N1c2cc(OC)ccc2[C@@H](C)CC1(C)C 223227421 AIDBFBKFOLNUAO-YOEHRIQHSA-N 333.472 4.519 0 40 EJAB COc1ccc(C[C@@H](Oc2ccccc2C(C)C)C(=O)O)cc1Cl 225123322 KDACFMMXUWPAPM-GOSISDBHSA-N 348.826 4.547 0 40 EJAB CC(C)OC(=O)c1ccc(Nc2cccc(Cl)c2Cl)c(N)c1 225427246 KTLHYBPNWSVCOV-UHFFFAOYSA-N 339.222 4.884 0 40 EJAB CC[C@H](C(=O)NCc1cncc(-c2cccs2)c1)c1ccccc1 225663757 NMXVPOLWXNBMCA-SFHVURJKSA-N 336.460 4.620 0 40 EJAB COc1ccc(C2(NC(=S)Nc3ccccc3F)CCCC2)cc1 225850740 KVLXNAYAJZOSBI-UHFFFAOYSA-N 344.455 4.590 0 40 EJAB CC(=O)[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](O)CC[C@@H]4[C@@H]3CC[C@@]2(C)C1 253617283 HAAMJEYGPJBHCI-WRDJSGTQSA-N 332.528 4.985 0 40 EJAB COc1ccc(/C=C2/SC(=O)N(c3ccccc3)C2=O)cc1Cl 408902313 MXQIDMNJAYZQNL-XNTDXEJSSA-N 345.807 4.590 0 40 EJAB O=C(O)c1ccccc1CC1CCN(Cc2cc3ccccc3o2)CC1 574705411 ZNAODLOFHHCDJI-UHFFFAOYSA-N 349.430 4.586 0 40 EJAB O=C(Cc1cc(Cl)cc(Cl)c1)Nc1cncc2ccccc12 1519655839 UEJJRTXZTCTAIK-UHFFFAOYSA-N 331.202 4.723 0 40 EJAB Cc1ccc(-n2c(-c3ccccc3)nc3nc4ccccc4nc32)cc1 508358 LNYJABJRSOALRD-UHFFFAOYSA-N 336.398 4.944 0 40 EJAB Cc1cccc(C2(c3cccc(C)c3)C[C@H]2C(=O)Nc2nccs2)c1 509347 HZHOTZDBKGHSJI-SFHVURJKSA-N 348.471 4.705 0 40 EJAB O=C(Cc1ccsc1)NCCC(c1ccccc1)c1ccccc1 3486854 PTXFLHLYTKVIRF-UHFFFAOYSA-N 335.472 4.629 0 40 EJAB Cc1nc(SCC(=O)C(C)(C)C)c2c3c(sc2n1)CCCC3 3495452 INZADHFDYYKYQO-UHFFFAOYSA-N 334.510 4.586 0 40 EJAB COc1ccc(-c2nc3c(-c4ccccc4)cnn3cc2C)cc1F 4089441 PFAKRWMTYUTCIK-UHFFFAOYSA-N 333.366 4.519 0 40 EJAB COc1cc2c(cc1OC)[C@@H](C)N(CCc1ccc(Cl)cc1)CC2 4655748 FYWPHUYGVNYFIB-CQSZACIVSA-N 345.870 4.519 0 40 EJAB COc1cc2c(cc1OC)[C@H]1CCCC[C@@H]1O[C@H]2c1ccc(F)cc1 4783955 YCLLGORVUPSCES-YWMUFLPLSA-N 342.410 4.989 0 40 EJAB CC(C)CCOc1ccc(Cn2c(=O)sc3ccccc32)cc1 5234826 OOGPETFBROGQPB-UHFFFAOYSA-N 327.449 4.536 0 40 EJAB COc1ccc(-c2onc(C(F)(F)F)c2-c2ccccc2)c(O)c1 5426928 SIRHSBWNROVSJA-UHFFFAOYSA-N 335.281 4.742 0 40 EJAB biogenic CCCCOC(=O)c1ccc(NC(=O)c2ccc(C)c(C)c2)cc1 5466006 OAWANGSLRQPAAE-UHFFFAOYSA-N 325.408 4.513 0 40 EJAB CCOc1cc(C=O)c(Br)cc1OCc1cccc(C)c1 5651957 YDKAWPHMYSCNKJ-UHFFFAOYSA-N 349.224 4.548 0 40 EJAB Cc1cc2oc(=O)cc(-c3oc4ccccc4c3N)c2cc1Cl 6755696 ACVHTANBTOUCPD-UHFFFAOYSA-N 325.751 4.750 0 40 EJAB CCC(C)(C)c1ccc2c(C(=O)N[C@@H](C)[C@H]3CCCO3)csc2c1 6850623 AOLXFPVSSXENRY-SUMWQHHRSA-N 345.508 4.886 0 40 EJAB O=C(Cn1cnc2ccccc21)Nc1ccc(C2CCCCC2)cc1 7344409 YMZBQBGPRDMJFP-UHFFFAOYSA-N 333.435 4.723 0 40 EJAB CC[C@H](C)c1ccc(NC(=O)CSCc2c(C)noc2C)cc1 7780601 QMPSREWPMWRISL-LBPRGKRZSA-N 332.469 4.677 0 40 EJAB Cc1ccc(C)c(SCc2nc3ccc(Cl)cc3n2CCO)c1 12549048 IBZPMYZROJLRPS-UHFFFAOYSA-N 346.883 4.591 0 40 EJAB Cc1cc(C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)c(C)o1 12972499 FFEMNIJLJLTCHW-UHFFFAOYSA-N 334.347 4.550 0 40 EJAB S=C(Nc1ccc2c(c1)OCO2)Nc1ccc(Cl)cc1Cl 13788046 DQEUMXXYUDLHJM-UHFFFAOYSA-N 341.219 4.531 0 40 EJAB CCn1c(SCc2ccccc2Cl)nnc1-c1cccs1 14062501 IIGJHQJEFZNJGO-UHFFFAOYSA-N 335.885 4.972 0 40 EJAB CCCCOC(=O)c1ccc(NC(=O)c2ccccc2SC)cc1 14862246 RGWBPMPNYHBSER-UHFFFAOYSA-N 343.448 4.618 0 40 EJAB Cc1ccc(-c2noc(-c3cc(-c4ccc(C)c(C)c4)n[nH]3)n2)cc1 35504173 CYAAOMMRYMWKPM-UHFFFAOYSA-N 330.391 4.719 0 40 EJAB CSc1ccccc1NC(=O)[C@H](C)N(C)Cc1cccc(Cl)c1 36832564 VDNKSSIMYLDZQL-ZDUSSCGKSA-N 348.899 4.521 0 40 EJAB Cc1nc2ccc(NC(=O)c3[nH]c4ccccc4c3Cl)cc2s1 40143636 FKHFSZSXLXPTBN-UHFFFAOYSA-N 341.823 4.992 0 40 EJAB C[C@H](Sc1nnc(C2CC2)n1Cc1ccco1)c1ccc(F)cc1 40159136 SOQPUHFVSWVLGO-LBPRGKRZSA-N 343.427 4.789 0 40 EJAB CC1CCN(C(=O)c2cccc(-c3nc4ccccc4s3)c2)CC1 41127509 FXEYMTJDJHKXHT-UHFFFAOYSA-N 336.460 4.835 0 40 EJAB Clc1ccc(Oc2nc3ccccc3nc2N2CCCC2)cc1 64438534 CHULJOMYZBAHSZ-UHFFFAOYSA-N 325.799 4.676 0 40 EJAB Fc1ccccc1-c1nccnc1[C@H]1CCCN(C2CCCCC2)C1 72358335 MBUJQHPJSMHKPQ-INIZCTEOSA-N 339.458 4.795 0 40 EJAB CC(C)(C)c1cnc(CNc2c(F)cc(F)cc2Br)o1 96006466 IMTGSDFACLZGQT-UHFFFAOYSA-N 345.187 4.625 0 40 EJAB C[C@](O)(CNc1ccc2[nH]ccc2c1)c1cccc(C(F)(F)F)c1 97001932 OQKHAOKVVHXROQ-KRWDZBQOSA-N 334.341 4.506 0 40 EJAB CCc1ccccc1NC(=O)c1ccc(Nc2nc(C)cc(C)n2)cc1 170583787 LQNKOZHOPNXZTD-UHFFFAOYSA-N 346.434 4.652 0 40 EJAB Cc1ccc(SCCC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)cc1 223156339 UJJHVXYLCNFLMC-INIZCTEOSA-N 339.504 4.843 0 40 EJAB Cc1ccccc1[C@@H](NC(=O)CCc1ccc(F)cc1)c1ccccc1 223185523 RUUBYZSPGHCTDX-QHCPKHFHSA-N 347.433 4.973 0 40 EJAB COc1ccc(C(=O)Nc2ccc(C)cc2)cc1COc1ccccc1 224084815 GUAFINHAKFNIMB-UHFFFAOYSA-N 347.414 4.835 0 40 EJAB CCCCOc1ncc(NC(=O)C2(OCC)CCCCCC2)cc1C 225899648 YFPJRTOVIVOUNX-UHFFFAOYSA-N 348.487 4.637 0 40 EJAB O=C(O)c1cccc(NCc2cccc(OCc3ccccc3)c2)c1 258764 YXMDNMAQKNEANV-UHFFFAOYSA-N 333.387 4.576 0 40 EJAB CCN(CC)c1ccc(NC(=O)c2cc(Cl)ccc2OC)c(C)c1 368327 RDUBDLBMLJIHJO-UHFFFAOYSA-N 346.858 4.756 0 40 EJAB Cc1ccc(C2=NN(C(=O)c3ccccc3)[C@@H](c3ccco3)C2)cc1 547662 VUYUAJIUHZHAIS-LJQANCHMSA-N 330.387 4.580 0 40 EJAB CCCCN(CCCC)C[C@H](O)c1c(OC)ccc2ccccc12 1700109 UTEIXKKLYFGUNY-IBGZPJMESA-N 329.484 4.784 0 40 EJAB CCc1ccccc1NCC(=O)Nc1ccccc1Cc1ccccc1 3388857 QIFAQCMVOGFYEM-UHFFFAOYSA-N 344.458 4.890 0 40 EJAB CC(C)c1ccccc1NC(=O)CSc1nc2ccccc2o1 3618916 SEPATJIWGLVZDT-UHFFFAOYSA-N 326.421 4.682 0 40 EJAB O=C(Nc1nc(-c2ccccc2)cs1)c1ccc2ncsc2c1 4088387 HFQKMQKWMNCEFW-UHFFFAOYSA-N 337.429 4.672 0 40 EJAB COc1ccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1OC 4866667 FHMIKYFLZULIKA-UHFFFAOYSA-N 347.370 4.856 0 40 EJAB Cc1ccc(NC(=O)Cc2csc3nc(-c4ccccc4)cn23)cc1 5146718 RDJDIELBPXAMKJ-UHFFFAOYSA-N 347.443 4.552 0 40 EJAB Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)N2CCCCCC2)c1 7377988 GYGIQUSJQTVWIS-OAQYLSRUSA-N 336.479 4.859 0 40 EJAB CCCCNC(=O)c1sc2c(Cl)c(OC)ccc2c1Cl 8472609 MRKDXIPVSQDJRR-UHFFFAOYSA-N 332.252 4.747 0 40 EJAB COc1ccc(Nc2nc(-c3ccc(OC)c(C)c3)cs2)cc1 9435156 XZUPSNMGMRNSHU-UHFFFAOYSA-N 326.421 4.879 0 40 EJAB Cc1cccc(C)c1NC(=O)CSCCOc1c(C)cccc1C 13023845 XPWANPSLNJZTSH-UHFFFAOYSA-N 343.492 4.671 0 40 EJAB CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@@H](C)c1ccc(C)cc1C 20044820 RCBYSJJIFOQPHL-ICSRJNTNSA-N 339.479 4.955 0 40 EJAB CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(N2CCCCC2)cc1 20451970 XVXZPQIPCNEEJF-UHFFFAOYSA-N 342.870 4.603 0 40 EJAB COc1cccc(-c2c(C)nn3c(-c4ccccc4)cc(C)nc23)c1 22607328 URNLZYVOQQKLSN-UHFFFAOYSA-N 329.403 4.689 0 40 EJAB Cc1cc(C)c2oc(C(=O)Nc3cccc4ccccc34)cc(=O)c2c1 27740522 SRCCSIPAPHPXNQ-UHFFFAOYSA-N 343.382 4.815 0 40 EJAB Cc1sc(-c2ccco2)nc1C(=O)N1CC[C@@H](C)c2ccccc21 31781022 AUWGHGBGTOMIKD-GFCCVEGCSA-N 338.432 4.866 0 40 EJAB CCOc1cccc(C=O)c1OCc1c(Cl)cccc1Cl 36986077 PLBYFVUABLPPQH-UHFFFAOYSA-N 325.191 4.784 0 40 EJAB CN(Cc1nc2ccccc2n1C(F)F)C(=O)CCC1CCCCC1 40052452 CXICAUMRURXWFP-UHFFFAOYSA-N 349.425 4.750 0 40 EJAB O=C1Nc2cc(Cl)ccc2[C@@H]1Cc1ccccc1OC(F)(F)F 40268238 QYJSUNOPAMAXKU-LBPRGKRZSA-N 341.716 4.517 0 40 EJAB Clc1ccc(C2=N[C@H]3N=C(c4ccccc4)S[C@H]3S2)cc1 41097526 APJAYBKWRXQIPW-CJNGLKHVSA-N 330.865 4.679 0 40 EJAB COc1ccccc1CC(=O)Nc1ccc2[nH]c3ccccc3c2c1 44781800 FKPINAQRLMVQIT-UHFFFAOYSA-N 330.387 4.511 0 40 EJAB Cc1ccc(NC(=O)[C@@H](C)N2CCC[C@@H]2c2ccsc2)c(C)c1 52803632 BBWLQNXFFZVDJX-CRAIPNDOSA-N 328.481 4.529 0 40 EJAB Cc1ccc(C)c([C@H](C)NC(=O)COc2ccc(C(C)(C)C)cc2)c1 59351442 ZAYSLDRHJSPRTF-KRWDZBQOSA-N 339.479 4.857 0 40 EJAB COc1ccc(-c2nc3c(C)cc(C)cc3[nH]2)cc1Br 70462786 WCRJKRPFXZLDCI-UHFFFAOYSA-N 331.213 4.618 0 40 EJAB CC(C)(C)c1ccc(C(=O)NCc2cccc(Br)c2)cc1 72331397 ARZOZXTVAGTNBJ-UHFFFAOYSA-N 346.268 4.677 0 40 EJAB Cc1cnc(CN[C@@H](c2ccccc2)c2nc(C(C)(C)C)cs2)o1 95966862 LGAUJEFKQMFLQS-KRWDZBQOSA-N 341.480 4.616 0 40 EJAB Cc1ccc(C(=O)Nc2ccc(-c3ccc(C(=O)O)o3)c(C)c2)cc1 226356353 ASPDWQXVMJDEDH-UHFFFAOYSA-N 335.359 4.514 0 40 EJAB O=C(NC12CC3CC(CC(C3)C1)C2)/C(=C/c1ccco1)c1ccccc1 408568147 SDSAHCBNMTZINT-CIAFOILYSA-N 347.458 4.905 0 40 EJAB CCn1cc(C(=O)Nc2ccc(C(C)C)cc2)c(=O)c2cc(C)ccc21 408713176 NBCLQMLCRDZBIZ-UHFFFAOYSA-N 348.446 4.706 0 40 EJAB FC(F)(F)c1cnc([C@@H]2N=C2c2ccccc2Cl)c(Cl)c1 1076145248 DXYPFNARJQCKLU-CYBMUJFWSA-N 331.124 4.951 0 40 EJAB O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1cccc(F)c1 122507 OJQSUYAIUVRCTO-UHFFFAOYSA-N 332.334 4.886 0 40 EJAB Cc1ccc(C2=N/C(=C/c3ccc(Cl)cc3Cl)C(=O)O2)cc1 359780 UVGMRHUZAGZHHY-OVCLIPMQSA-N 332.186 4.646 0 40 EJAB COc1ccc(OC)c(NC(=O)[C@H](C)c2ccc(CC(C)C)cc2)c1 363599 QKXYCDBYSRBYMQ-OAHLLOKOSA-N 341.451 4.645 0 40 EJAB COc1ccc(Cc2nc3ccccc3n2Cc2ccc(F)cc2)cc1 572392 NEEJGDARHMKGGX-UHFFFAOYSA-N 346.405 4.823 0 40 EJAB CC(=C/c1ccccc1)/C=C1\S/C(=N\c2ccc(F)cc2)NC1=O 1452209 DIJXSWMUSVTELN-RQGFIEOQSA-N 338.407 4.664 0 40 EJAB CC[C@H](C)c1ccc(OCC(=O)NCCc2ccc(Cl)cc2)cc1 3405646 XPKWNPYJGXXWEW-HNNXBMFYSA-N 345.870 4.591 0 40 EJAB O=C(O[C@@H](Nc1ccccc1)c1ccccc1)C(Cl)(Cl)Cl 4455794 CKFVTQMCJWEAJG-CYBMUJFWSA-N 344.625 4.711 0 40 EJAB CCOc1ccccc1NC(=O)N1CCS[C@H]1c1cccc(F)c1 4912008 PKTKDRRDWVGQMQ-KRWDZBQOSA-N 346.427 4.504 0 40 EJAB Cc1cccc(C)c1NS(=O)(=O)c1ccc(-c2ccccc2)cc1 5598838 UBIDOKYTGPCYSC-UHFFFAOYSA-N 337.444 4.771 0 40 EJAB Cc1cccc(C)c1OCC(=O)Nc1ccccc1-c1ccccc1 6128562 LAVXHCOBKDVTMC-UHFFFAOYSA-N 331.415 4.988 0 40 EJAB CSc1ccccc1C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 6879190 ALODTCONANGTBK-IVKJLDKCSA-N 329.509 4.743 0 40 EJAB CCCCn1c(C)c(C)c(-c2nc3ccccc3[nH]2)c1NC(=O)CC 9418406 UWTRKBKVFQCCCG-UHFFFAOYSA-N 338.455 4.797 0 40 EJAB Cc1cc(C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)on1 11512938 IRTQBYIWIPTDJH-UHFFFAOYSA-N 328.755 4.681 0 40 EJAB CC1=C[C@H](C)[C@H](CN(CCO)C[C@H]2[C@@H](C)C=C(C)C[C@@H]2C)[C@@H](C)C1 12490107 KUFAUZJRIITNBN-WLNPFYQQSA-N 333.560 4.758 0 40 EJAB Cc1ccc(C(C)C)c(OCC(=O)N[C@@H](C)c2ccccc2C)c1 14425585 YYMRYRYJYGRNPF-KRWDZBQOSA-N 325.452 4.683 0 40 EJAB Cc1ccccc1NC1(c2nnnn2-c2ccccc2C)CCCCC1 22436815 UWRKNFKWRPYCPE-UHFFFAOYSA-N 347.466 4.551 0 40 EJAB O=C(Oc1ccc2c(-c3ccc(F)cc3)noc2c1)c1cccs1 32106703 MFLHYKSWEUYXCA-UHFFFAOYSA-N 339.347 4.915 0 40 EJAB Cc1cc(C)n(-c2ccc(NC(=O)c3c(F)cccc3Cl)cc2)n1 32754736 JLSIYWQAMVUEEY-UHFFFAOYSA-N 343.789 4.534 0 40 EJAB O=C(Cc1ccccc1Cl)Nc1cccnc1Oc1ccccc1 32832639 RJTDBJDZPLEXMB-UHFFFAOYSA-N 338.794 4.709 0 40 EJAB CCCCc1ccc(NC(=O)c2ccc(Br)c(N)c2)cc1 40303210 HNZGTJWTUOMAKG-UHFFFAOYSA-N 347.256 4.626 0 40 EJAB Cc1cc([C@H]2CCCCN2C(=O)OCc2ccccc2)c[nH]c1=S 72218291 DMYBTNJMECOSSF-QGZVFWFLSA-N 342.464 4.916 0 40 EJAB Cc1cc(C)n(-c2ccc(CNC3CCCC3)c(C(F)(F)F)c2)n1 89594283 BOTIWGBGAIHQGJ-UHFFFAOYSA-N 337.389 4.540 0 40 EJAB C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)C1=CCCC1 95414596 RXZPWCUINJJIQI-INIZCTEOSA-N 348.446 4.569 0 40 EJAB Cc1cccc(C(C)C)c1NS(=O)(=O)C[C@@H](C)c1ccccc1 95995789 XHQXJBJIOAATPH-MRXNPFEDSA-N 331.481 4.664 0 40 EJAB C[C@@H](NC(=O)c1ccc(Oc2ccccc2Cl)o1)c1ccncc1 96183822 OHMGGFNKCZIPLB-GFCCVEGCSA-N 342.782 4.611 0 40 EJAB C[C@H](N[C@H](C)c1ccc2c(c1)CCCC2)c1ccc([S@@](C)=O)cc1 108357143 KRGBXPSUMSLGRE-DXMSMQRWSA-N 341.520 4.715 0 40 EJAB CC[C@H](Oc1ccc(C)cc1C)C(=O)N[C@H](C)CCc1ccccc1 222961462 QBTDCXXFDRTRPB-QUCCMNQESA-N 339.479 4.598 0 40 EJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCC1CCCCCC1 224990660 CLIWGOPZOWUDEN-UHFFFAOYSA-N 337.891 4.974 0 40 EJAB Cc1ccc([C@H](C)NC(=S)Nc2cccc(OC(C)C)c2)cc1 225470012 XSCQEMQWGVDWHI-HNNXBMFYSA-N 328.481 4.830 0 40 EJAB CCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OC)cc1 225614519 HMBYTULYEKNXIU-UHFFFAOYSA-N 335.488 4.891 0 40 EJAB CCCOc1ccc(NC(=O)[C@@]2(OC)CCC[C@@H](C)C2)cc1Cl 225639392 URUCGWYMBRKPSW-FZKQIMNGSA-N 339.863 4.663 0 40 EJAB Clc1ccc(CSc2nc(-c3ccco3)n[nH]2)c(Cl)c1 409269819 FECNEEGSBHWBDE-UHFFFAOYSA-N 326.208 4.664 0 40 EJAB CC(=O)Nc1ccc(-c2csc(Nc3ccc(F)cc3)n2)cc1 321942 SCEDDLGSZVKJMY-UHFFFAOYSA-N 327.384 4.651 0 40 EJAB CC(C)COC(=O)Nc1nnc(-c2ccc(Cl)cc2Cl)s1 322739 SHNBYCDUISPPGY-UHFFFAOYSA-N 346.239 4.716 0 40 EJAB Cc1ccc(C)c(Nc2nc3ccccc3nc2-n2nc(C)cc2C)c1 499586 YQFNPRLFMJXFHK-UHFFFAOYSA-N 343.434 4.793 0 40 EJAB Cc1cc(/C=C2/C(=O)N(c3ccccc3)c3ccccc32)c(C)n1C 574980 VWACQRAHXKOYTN-XSFVSMFZSA-N 328.415 4.861 0 40 EJAB CC(C)(CNC(=O)c1ccccc1)SCc1ccc(Cl)cc1 1405164 RKMAQBYCKNSAAK-UHFFFAOYSA-N 333.884 4.782 0 40 EJAB CCOC(=O)c1c(C)n(C)c2cc(-c3ccc(CC)cc3)c(O)cc12 3491329 PNAZVTGRGHRSFH-UHFFFAOYSA-N 337.419 4.598 0 40 EJAB Cc1ccc2nsnc2c1NC(=O)CC12CC3CC(CC(C3)C1)C2 4923056 CVTNMDWNOXQFAD-UHFFFAOYSA-N 341.480 4.545 0 40 EJAB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2Sc1ccc(Cl)cc1 5525563 MXEIBCYOSABGBK-HKUYNNGSSA-N 344.911 4.963 0 40 EJAB Cc1ccc(-c2nc(COc3ncnc4ccccc34)cs2)cc1 6507339 NRUUJCVCCVHCTI-UHFFFAOYSA-N 333.416 4.641 0 40 EJAB COc1ccc(C(C)(C)C)cc1NC(=O)[C@@H](C)Oc1cccc(C)c1 6947559 LUXBFPRVIFWKSH-OAHLLOKOSA-N 341.451 4.707 0 40 EJAB Cc1ccc(NC(=O)CCc2c(C)nn(CC(C)C)c2C)cc1Cl 7402310 WILHHDPUXRIYMV-UHFFFAOYSA-N 347.890 4.689 0 40 EJAB Cc1ccc([C@@H](NC(=O)CCc2ccccc2)c2ccccc2)cc1 7686020 JJPMAURZVTXLIP-QHCPKHFHSA-N 329.443 4.833 0 40 EJAB COc1ccccc1[C@H]1Nc2ccccc2C(=O)N1c1ccc(F)cc1 7884753 GSUBCWHDZMWPJA-FQEVSTJZSA-N 348.377 4.605 0 40 EJAB Cc1cccc(N(Cc2ccccc2)C(=O)CCc2c(C)noc2C)c1 8037528 NDOZVLQARKKKJD-UHFFFAOYSA-N 348.446 4.766 0 40 EJAB c1ccc(-c2csc(Sc3ncnc4sccc34)n2)cc1 8120158 PUDMTEPGVIMJEH-UHFFFAOYSA-N 327.459 4.966 0 40 EJAB CCOc1cc(CNC)cc(Cl)c1OCc1ccc(Cl)cc1 8253937 QHMILYPOUQSFGX-UHFFFAOYSA-N 340.250 4.691 0 40 EJAB Cc1c(Cl)cccc1NC(=O)c1cc(C2CC2)nc2onc(C)c12 12755454 KUJPWJOLMWDQDL-UHFFFAOYSA-N 341.798 4.623 0 40 EJAB O=C(Nc1cccc(Br)c1)[C@H]1CCCc2ccccc21 12918312 SOKJLZBVUGQWBF-INIZCTEOSA-N 330.225 4.508 0 40 EJAB CN(C)c1ccc(NC(=O)/C(=C\c2ccccc2)c2ccccc2)cc1 13957947 UWZAHVDFIAGETB-XLNRJJMWSA-N 342.442 4.932 0 40 EJAB COc1ccccc1[C@H]1N=C(c2ccccc2)[C@@H]2[C@@H](c3ccccc3)N21 19800712 ZYNSVKVRUBHSMG-GOCUUSFJSA-N 340.426 4.622 0 40 EJAB Cc1ccc([C@@H](NC(=O)[C@]2(C)CC2(Cl)Cl)c2ccccc2)cc1 21583943 XJYUHWZCXDBSSQ-WMZOPIPTSA-N 348.273 4.785 0 40 EJAB Cc1cc(C(=O)N[C@H](C)c2ccccc2Br)sc1C 24018207 VVYBBKPUIWTPOT-SNVBAGLBSA-N 338.270 4.618 0 40 EJAB C[C@@H](c1ccccc1)N(C)C(=O)Cc1csc(-c2ccsc2)n1 25615316 QTDIJYGWFVHYNB-ZDUSSCGKSA-N 342.489 4.634 0 40 EJAB COc1ccc(-c2c(-c3ccc(SC)cc3)nc3n2CCC3)cc1 26442303 JPLSGEDYNSQWQD-UHFFFAOYSA-N 336.460 4.894 0 40 EJAB COc1ccccc1[C@@H](C)N(C)Cc1ncc(-c2ccc(F)cc2)o1 32825413 GGKGUIDQXVDSAM-CQSZACIVSA-N 340.398 4.682 0 40 EJAB C[C@@H](SCc1ccc(F)cc1Cl)C(=O)Nc1ccccc1F 32907785 WNXMAYKISWLWPC-SNVBAGLBSA-N 341.810 4.879 0 40 EJAB CC[C@H](NC(=O)CSCc1cc(C)cc(C)c1)c1ccccc1 44901660 IHEMVJBTZWQLIG-IBGZPJMESA-N 327.493 4.804 0 40 EJAB CCCCC(=O)NC1CCN([C@H](C)c2ccc3ccccc3c2)CC1 56284851 IYPSDTIZQGYZCG-QGZVFWFLSA-N 338.495 4.672 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)COc2ccccc2C(C)C)c(C)c1 59351594 GXVVVRAOEQIPLL-QGZVFWFLSA-N 325.452 4.683 0 40 EJAB CC(C)[C@@H]1SCC(O)=Nc2c1cnn2-c1ccc(Cl)cc1F 79484650 OUOVTRGMSQQPEQ-AWEZNQCLSA-N 339.823 4.697 0 40 EJAB CCc1ccc([C@H](C)NC(=O)c2cnc(C)c(Cl)c2Cl)cc1 89284772 CQWWSIMJQGMJAB-JTQLQIEISA-N 337.250 4.750 0 40 EJAB O=C1Nc2ccc(Cl)cc2S/C1=C/Nc1ccccc1Cl 100395122 SVNUYJHNNAABGD-RIYZIHGNSA-N 337.231 4.991 0 40 EJAB CCCC[C@H]1OC[C@@]2(COC(=O)NC(C)C)[C@@H](C)C=C(C)[C@H]1[C@H]2C 105365110 CTQMHZOSXPTAQT-ILRSOXBSSA-N 337.504 4.545 0 40 EJAB biogenic COc1ccc([C@@H](CC(C)C)NC(=O)/C=C/c2ccc(C)cc2)cc1 216279260 BWTXISVPOXTTGT-ZGQNHIEXSA-N 337.463 4.920 0 40 EJAB Nc1cc(-c2nc3ccccc3o2)cc(-c2nc3ccccc3o2)c1 216880434 YHJUNFQVQAISFO-UHFFFAOYSA-N 327.343 4.885 0 40 EJAB O=C(c1c[nH]c2ccccc12)N1CCS[C@H](c2cccs2)CC1 219496226 FTGYLDQNECPTDE-KRWDZBQOSA-N 342.489 4.550 0 40 EJAB CCOc1ccc(C(=O)N[C@@H](CC)c2ccccc2C)cc1Cl 225821036 VNNSFYFGCJASJS-KRWDZBQOSA-N 331.843 4.928 0 40 EJAB Cc1ccccc1C1(NC(=S)Nc2ccc(F)cc2)CCCC1 225851316 JQVZPKJWVUYZEV-UHFFFAOYSA-N 328.456 4.890 0 40 EJAB C[C@H]1CCCCN1c1ccc(NC(=O)c2ccccc2Cl)cc1N 226266133 JJMBTMIDKWYDCS-ZDUSSCGKSA-N 343.858 4.553 0 40 EJAB CCN(C(=O)c1cnc(-c2ccncc2)s1)c1ccccc1Cl 390833337 GFUFEQPKSLDDSS-UHFFFAOYSA-N 343.839 4.525 0 40 EJAB Cc1cccc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c1 409127380 PRDXQGCRWYMHCQ-NBVRZTHBSA-N 337.444 4.664 0 40 EJAB Cc1ccc(Nc2nnc(S[C@H](C)c3cccnc3)s2)cc1 618426836 GRLUMURLVZKZIX-GFCCVEGCSA-N 328.466 4.838 0 40 EJAB CC(=O)c1c(Nc2ccc(Oc3ccccc3)cc2)oc(C)cc1=O 99949 UZRDXQVLNURCFK-UHFFFAOYSA-N 335.359 4.687 0 40 EJAB O=C1C[C@H](c2ccccc2Br)Sc2ccccc2N1 481204 BQMQTZXFGICBGL-CQSZACIVSA-N 334.238 4.625 0 40 EJAB CCCn1nc(NC(=O)c2cccc(C)c2)c2cc3ccccc3nc21 527929 ZZRLYOYEZVRKHS-UHFFFAOYSA-N 344.418 4.555 0 40 EJAB CC1CCN(c2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2)CC1 559756 PDVMAEODDFZPBN-UHFFFAOYSA-N 342.870 4.758 0 40 EJAB Cc1ccc(CNC(=O)CC(c2ccccc2)c2ccccc2)cc1 1006350 KQFPINIWOHSSGK-UHFFFAOYSA-N 329.443 4.833 0 40 EJAB CCCC(=O)N(c1nnc(-c2ccc(C)cc2)s1)C1CCCC1 1345452 LRAUUNIFDVHKFC-UHFFFAOYSA-N 329.469 4.589 0 40 EJAB CN(C)c1nc(Oc2ccc(C(C)(C)C)cc2)cc(C(F)(F)F)n1 1396723 OSRDCIPSIJGWJJ-UHFFFAOYSA-N 339.361 4.651 0 40 EJAB COc1ccc(-c2nnc(SC)n2-c2ccccc2C(C)C)cc1 3302992 OQHDPBYIKNMZAU-UHFFFAOYSA-N 339.464 4.788 0 40 EJAB O=C(Nc1nc2c(Cl)cccc2s1)c1ccc2ncsc2c1 4088342 SDKCIJCBTYWWQF-UHFFFAOYSA-N 345.836 4.812 0 40 EJAB Cc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccnc4)=NN32)cc1 4292018 UXXCNNLBRRVPLR-UNMCSNQZSA-N 341.414 4.632 0 40 EJAB CC[C@@H](C)[C@H](N)c1nnc(SCc2ccc(Cl)cc2Cl)o1 5069822 CMUDICHQEPXIDK-PELKAZGASA-N 346.283 4.715 0 40 EJAB CCc1ccc(-c2csc(NC(=O)c3ccc(F)c(F)c3)n2)cc1 5341670 IUCPWXHWQJMNKR-UHFFFAOYSA-N 344.386 4.903 0 40 EJAB CCOc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1OC 6155796 AFBIMYCFARPPRL-UHFFFAOYSA-N 340.206 4.653 0 40 EJAB CCCCOc1ccc(C(=O)Nc2ccccc2N2CCCC2)cc1 6569801 LWNXMOLBNHHUQD-UHFFFAOYSA-N 338.451 4.718 0 40 EJAB Cc1ccc(NC(=O)CSC2=Nc3ccccc3CS2)cc1C 6590192 HGQJJGHKDMPXJV-UHFFFAOYSA-N 342.489 4.910 0 40 EJAB CSc1ccccc1C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 6879192 ALODTCONANGTBK-XXWNAHEMSA-N 329.509 4.743 0 40 EJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(SC)c1 8041499 CQHIRXPJYIMENF-INIZCTEOSA-N 335.856 4.858 0 40 EJAB Cc1cccc(C)c1NC(=O)CN(C)Cc1ccc(C(C)(C)C)cc1 8092519 AXBTTWWPDPIPLI-UHFFFAOYSA-N 338.495 4.671 0 40 EJAB O=C(CN(C1=NCCCS1)c1ccccc1)c1ccc(Cl)cc1 8436115 RNNWSQPPSCAVHM-UHFFFAOYSA-N 344.867 4.522 0 40 EJAB CCCn1nc(NC(=O)c2ccccc2C)c2cc3ccccc3nc21 9359034 VVGRXZGGDKSQOR-UHFFFAOYSA-N 344.418 4.555 0 40 EJAB COc1cc(OC)cc(C(=O)Nc2ccc3c(c2)-c2ccccc2C3)c1 12808182 SPXWJZRAWKYSIG-UHFFFAOYSA-N 345.398 4.527 0 40 EJAB Cc1cc(OCC(=O)N[C@@H]2CCCC[C@H]2C)c(C(C)C)cc1Cl 13062806 FUVRSPZLXVQVES-CXAGYDPISA-N 337.891 4.846 0 40 EJAB O=C(/C(=C/c1ccco1)c1ccccc1)N1CCCc2ccccc21 13671106 CSIIHGKBFPGQPS-CAPFRKAQSA-N 329.399 4.800 0 40 EJAB O=C(Nc1ccc(OC(=O)C2CCCC2)cc1)c1ccccc1Cl 15540171 PXYWWAQVJUEZNF-UHFFFAOYSA-N 343.810 4.688 0 40 EJAB Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccc(CO)o3)c2)cc1 20137519 RNFPXXHOKBVJQO-UHFFFAOYSA-N 341.794 4.653 0 40 EJAB COc1ccc([C@H](CC(C)C)NC(=O)/C=C/c2ccc(F)cc2)cc1 20485710 RPTIARVNAWZTFO-JCRIEJSWSA-N 341.426 4.751 0 40 EJAB Cc1ccc(Nc2nn(-c3ccccc3)c3c2C(=O)C[C@H](C)C3)c(C)c1 20671910 BYSIULDUQLBBCA-OAHLLOKOSA-N 345.446 4.998 0 40 EJAB CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)Nc1ccc(OC)cc1 21130177 LJBCHUBSYKYMAV-CABCVRRESA-N 326.440 4.648 0 40 EJAB COc1cccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)c1 22990536 OKYHFUTVRBNQSC-UHFFFAOYSA-N 329.827 4.799 0 40 EJAB CCCC(=O)Nc1nnc(-c2ccc(-c3cccc(F)c3)cc2)s1 27914038 PHGOGVMBGXOUES-UHFFFAOYSA-N 341.411 4.750 0 40 EJAB Cc1ccc(-c2nc(N)sc2NC(=O)c2ccc(Cl)cc2)cc1 28405105 PFSVESGUJILFFZ-UHFFFAOYSA-N 343.839 4.606 0 40 EJAB c1ccc(Nc2nc(CSc3ncc4ccccn34)cs2)cc1 30764972 NURVZSPJYRRTNR-UHFFFAOYSA-N 338.461 4.827 0 40 EJAB COc1ccc(Cc2nc(C)c(-c3ccccc3)s2)cc1OC 32899496 DEBSBYCMOQENDK-UHFFFAOYSA-N 325.433 4.727 0 40 EJAB OC1=Nc2c(ncn2-c2ccc(Cl)cc2)[C@@H](c2ccsc2)C1 36360352 NSCSXVUKEXGTRK-CYBMUJFWSA-N 329.812 4.711 0 40 EJAB CCc1cccc2c(C3=CCN(C(=O)c4ccccc4)CC3)c[nH]c12 36395033 XTEKJCXXEWNCLV-UHFFFAOYSA-N 330.431 4.660 0 40 EJAB O=C(NCc1cccc2ccccc12)N1CC[C@@H](c2ccccc2)C1 38567369 XVWXYRRMPMCVEC-HXUWFJFHSA-N 330.431 4.539 0 40 EJAB CC[C@@H](C)c1ccc(NC(=O)c2cccnc2Br)cc1 41107472 PXQIFSYQEHTIAA-LLVKDONJSA-N 333.229 4.610 0 40 EJAB CC1(C)C[C@H](NC(=O)Nc2ccc(Cl)cc2)c2ccccc2O1 45495329 SVECGYNXELOJSD-HNNXBMFYSA-N 330.815 4.764 0 40 EJAB C[C@H](NC(=O)CCCCC(=O)c1ccccc1)c1ccc(F)c(F)c1 48184547 DNDUVTXUGNHOMR-AWEZNQCLSA-N 345.389 4.585 0 40 EJAB C[C@@H](NC(=O)CCCCC(=O)c1ccccc1)c1ccc(F)c(F)c1 48184548 DNDUVTXUGNHOMR-CQSZACIVSA-N 345.389 4.585 0 40 EJAB COc1cccc(-c2cc(-c3ccc(Cl)c(Cl)c3)nc(N)n2)c1 71977933 LDRJJOZVYUNNJY-UHFFFAOYSA-N 346.217 4.708 0 40 EJAB CCc1ccc([C@H](C)NC(=O)[C@@H](CC)Oc2ccc(C)c(C)c2)cc1 78458390 SMYARNVJRKAJDF-LAUBAEHRSA-N 339.479 4.901 0 40 EJAB CC(C)N(CC[C@H](c1ccccc1)c1cc(C=O)ccc1O)C(C)C 87493273 DHTHWYZNJZNTIT-HXUWFJFHSA-N 339.479 4.846 0 40 EJAB CO[C@@H](C)c1cccc(NC(=O)N(CCC(F)(F)F)C2CCC2)c1 96460873 LGRSXJKTDAIWIX-LBPRGKRZSA-N 344.377 4.733 0 40 EJAB O=C(CCc1ccc(Cl)cc1)Nc1ccc(OC(F)(F)F)cc1 96621949 HBCRDFIFIFKETF-UHFFFAOYSA-N 343.732 4.810 0 40 EJAB O=C(CC(=O)C(F)(F)F)c1ccc(Oc2ccc(Cl)cc2)cc1 100031413 UVAIMBJOOBGHLP-UHFFFAOYSA-N 342.700 4.837 0 40 EJAB C[C@H](NC(=O)C1c2ccccc2Oc2ccccc21)[C@@H]1C[C@H]2CC[C@H]1C2 102606964 NWULNUHXJNDWKR-FPXQBCRKSA-N 347.458 4.865 0 40 EJAB Cc1ccc([C@H](NC(=O)CCc2ccccc2F)c2ccccc2)cc1 224047386 SZKVRZMBNIOSTE-HSZRJFAPSA-N 347.433 4.973 0 40 EJAB CCCCOCc1cc(C(=O)Nc2cccc(C)c2C)ccc1OC 224435305 DMUWOKPNDGOZPU-UHFFFAOYSA-N 341.451 4.881 0 40 EJAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(Cl)cc1F 225035594 UZSFLOMWFXQUIX-MRXNPFEDSA-N 347.817 4.820 0 40 EJAB O=C(Nc1ccc(F)cc1)c1ccc(-c2nc3ccccc3[nH]2)cc1 225255819 VGDPEXULYDCWSI-UHFFFAOYSA-N 331.350 4.621 0 40 EJAB S=C(NCCSC1CCCCC1)Nc1ccc(Cl)cc1 225356493 RJZSVWKRVZCUNZ-UHFFFAOYSA-N 328.934 4.692 0 40 EJAB CCOc1cc(C)c(/C=C2\SC(=O)N(C(C)C)C2=O)cc1C(C)C 409059310 WHCUMPPVJIMXHE-YVLHZVERSA-N 347.480 4.962 0 40 EJAB COc1ccc(Cl)cc1C(=O)Nc1nc2ccc(C)cc2s1 175111 WBDDGICSBARZFJ-UHFFFAOYSA-N 332.812 4.519 0 40 EJAB COc1cccc2cc(-c3nc(-c4ccccc4)c(C)s3)c(=O)oc12 377805 YTEKUGIBKVVIIE-UHFFFAOYSA-N 349.411 4.901 0 40 EJAB CCc1cc2cccc(C)c2nc1SCC(=O)Nc1ccccc1 412733 NDBHPQFFWRBVFU-UHFFFAOYSA-N 336.460 4.836 0 40 EJAB COc1ccc(CNc2c(-c3ccccc3)nc3ccccn23)cc1 413655 CBPOIWNYIBJALP-UHFFFAOYSA-N 329.403 4.622 0 40 EJAB Cc1ccc2c(C)cc(SCC(=O)Nc3ccccc3)nc2c1C 420765 PWBJSUDQFZHBJI-UHFFFAOYSA-N 336.460 4.891 0 40 EJAB CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2cc(C)cc(C)c2)c1 512859 XOHDHUDTYPMSJR-UHFFFAOYSA-N 344.842 4.948 0 40 EJAB COc1ccc(-c2nn3cc(-c4ccccc4)c4c3n2CCCC4)cc1 521483 YDCGCIMIVWTHKU-UHFFFAOYSA-N 343.430 4.815 0 40 EJAB CCOc1cccc2sc(NC(=O)c3cccc(Cl)c3)nc12 567745 ZUDVCAGVOKOSBA-UHFFFAOYSA-N 332.812 4.601 0 40 EJAB CCCC(=O)Nc1cc(C(=O)Nc2cc(C)cc(C)c2)ccc1Cl 2069796 MZSPTIKCNCVIQN-UHFFFAOYSA-N 344.842 4.948 0 40 EJAB Cc1ccccc1OCCC(=O)NC(c1ccccc1)c1ccccc1 2652486 XKEWCSPXLJSRGJ-UHFFFAOYSA-N 345.442 4.670 0 40 EJAB C[C@H]1CC[C@@](C)(C(=O)N(C)C(=O)[C@]2(C)CC[C@@H](C)C2(C)C)C1(C)C 3846144 BHUKNCSDHSSDAL-YQMDMEMYSA-N 335.532 4.896 0 40 EJAB CC(C)(C)c1ccc(/C=C2/CCn3c2nc(=O)c2ccccc23)cc1 5021765 OXDXVZXXCFZAPG-PEZBUJJGSA-N 330.431 4.638 0 40 EJAB O=C(CCc1ccccc1)Nc1cccc(NC(=O)c2ccccc2)c1 8471406 UWYYVBZSDDEKHO-UHFFFAOYSA-N 344.414 4.510 0 40 EJAB C[C@H](NC(=O)CSc1ccccc1)c1ccc(C(C)(C)C)cc1 10111747 FTZWWIVVYWLIQF-HNNXBMFYSA-N 327.493 4.954 0 40 EJAB Cc1cccc(NC(=O)COc2ccc3c(c2)[nH]c2ccccc23)c1C 12797605 XETSLZWOFZPYPE-UHFFFAOYSA-N 344.414 4.955 0 40 EJAB COc1ccc(NC(=S)Nc2ccccc2Cl)cc1Cl 13935120 DOHFGWQBJGGBHQ-UHFFFAOYSA-N 327.236 4.811 0 40 EJAB COc1ccc([C@H]2CCCN2C(=O)/C=C/c2ccc(Cl)cc2)cc1 15539359 VGUCCPHVLHEVOR-CQTFCRGUSA-N 341.838 4.726 0 40 EJAB CCOc1ccc(-c2cc(C(=O)Oc3ccccc3Cl)no2)cc1 15669822 URCQHOVWGINNDN-UHFFFAOYSA-N 343.766 4.613 0 40 EJAB Cc1ccc([C@H](C)NC(=O)COc2cc(C)c(Cl)c(C)c2)c(C)c1 30867491 HJSJASFYLOOBKS-INIZCTEOSA-N 345.870 4.830 0 40 EJAB O=C(Nc1ccc(SC2CCCC2)cc1)c1ccc2c(c1)OCO2 32809465 PTDYZPPJRNPASY-UHFFFAOYSA-N 341.432 4.702 0 40 EJAB O=S(=O)(Oc1cccc2ccccc12)c1cccc2ccccc12 35685918 ZKCPNCGCRXGBIU-UHFFFAOYSA-N 334.396 4.761 0 40 EJAB O=C(Nc1cccc(N2CCCCC2=O)c1)Nc1ccccc1Cl 38698823 JOPAMPQBGCJMFI-UHFFFAOYSA-N 343.814 4.501 0 40 EJAB O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(Cl)c(Cl)c1 72331424 MFRKYKSLICYCIY-UHFFFAOYSA-N 348.151 4.942 0 40 EJAB Cc1ccc(C(=O)CCC(=O)Nc2ccc(C)c(Cl)c2)cc1C 96654154 QPZBWXJTLKVDLK-UHFFFAOYSA-N 329.827 4.867 0 40 EJAB COC(=O)C=C1CCC2(CCCc3cc(Br)ccc32)CC1 219771439 PXCIFLBVCAGFHI-UHFFFAOYSA-N 349.268 4.697 0 40 EJAB O=C(Cc1ccc(Cl)cc1F)Nc1cccc(Cl)c1Cl 224666620 LBWBAZGPWSRYDT-UHFFFAOYSA-N 332.589 4.967 0 40 EJAB CC(C)Oc1ccc(NC(=S)N[C@H](C)CCc2ccccc2)cc1 225515521 JUJRMIAEDJTDGP-MRXNPFEDSA-N 342.508 4.782 0 40 EJAB Fc1ccc(NC(=S)NCCCSC2CCCCC2)c(F)c1 225590678 LTPNXZRMCQTRHF-UHFFFAOYSA-N 344.496 4.707 0 40 EJAB CCCOc1ccc(NC(=O)C2(OCC)CCCCC2)cc1Cl 225710648 UQEVMGPBXXSYEW-UHFFFAOYSA-N 339.863 4.807 0 40 EJAB O=C(Nc1ccc2c(c1)OCO2)c1cc2c(ccc3ccccc32)o1 408627728 PERAKOKBGIEILB-UHFFFAOYSA-N 331.327 4.567 0 40 EJAB CC(C)Cc1ncc(C(=O)N2[C@@H](C)Cc3cc(F)ccc3[C@@H]2C)s1 1518646956 TZHNQYJSQBDDCT-STQMWFEESA-N 346.471 4.629 0 40 EJAB CCOc1ccc(/C=C/C(=O)Nc2c(C)cccc2C)cc1OCC 147401 TZYHQPOQOYPKEK-ACCUITESSA-N 339.435 4.753 0 40 EJAB Cc1c(-c2ccccc2)nc2ccc(Br)cc2c1C(=O)O 354187 JGKKGUXOCBNLQH-UHFFFAOYSA-N 342.192 4.671 0 40 EJAB Oc1ccc(-c2nc3ccc(Cl)cn3c2NC2CCCC2)cc1 417118 KKRKGLGPSLZPAE-UHFFFAOYSA-N 327.815 4.715 0 40 EJAB COc1ccc(CNCC[C@@H](C(C)C)[C@H]2CCOC(C)(C)C2)cc1 2157200 FGCOYXVIXSZYRW-ICSRJNTNSA-N 333.516 4.652 0 40 EJAB biogenic O=C(c1ccc2ccccc2n1)N(Cc1ccco1)Cc1cccs1 3328337 JQLRDCAHBVQDCV-UHFFFAOYSA-N 348.427 4.732 0 40 EJAB CCCOc1ccc(C(=O)Nc2cc(F)ccc2C)cc1OCC 5688198 BKYDBHCXGRYPAS-UHFFFAOYSA-N 331.387 4.574 0 40 EJAB C[C@H](NC(=O)Cc1ccccc1Cl)C12CC3CC(CC(C3)C1)C2 6286464 QUJXTUYJAJKBCT-IVKJLDKCSA-N 331.887 4.604 0 40 EJAB Cc1cc2ccccc2n1Cc1ccc(I)cc1 6714696 YCDVRMDSEXYRSM-UHFFFAOYSA-N 347.199 4.603 0 40 EJAB Cc1cc(Cl)ccc1OCCCC(=O)N[C@H](C)c1cccs1 7792683 XNUIQDNNDSMUEB-CYBMUJFWSA-N 337.872 4.746 0 40 EJAB O=C(Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1)C(F)(F)F 8071101 LEIJDUDSXXILRI-UHFFFAOYSA-N 340.688 4.649 0 40 EJAB c1ccc(-c2cs/c(=N\c3ccccn3)n2-c2ccccc2)cc1 12377006 BGNASZIXFGBEIC-XDOYNYLZSA-N 329.428 4.833 0 40 EJAB Cc1ccc(CCCNC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1 13669177 CEUBITYOHVJQEO-HNNXBMFYSA-N 347.911 4.878 0 40 EJAB COc1ccc(Sc2nc(C(F)(F)F)nc3ccccc23)cc1 14235452 MEPYEAKVKISUCI-UHFFFAOYSA-N 336.338 4.808 0 40 EJAB Cc1cc(O[C@@H](C)C(=O)Nc2c(F)cccc2F)cc(C)c1Cl 14397220 VMJJDVAWMGUPDQ-NSHDSACASA-N 339.769 4.641 0 40 EJAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N[C@@H](C)c1ccc(C)cc1C 20044817 RCBYSJJIFOQPHL-AZUAARDMSA-N 339.479 4.955 0 40 EJAB CCOc1ccccc1CNC(=O)/C=C/c1ccc(C(C)(C)C)cc1 20453343 IBOKQUWSSNGDQN-NTCAYCPXSA-N 337.463 4.712 0 40 EJAB COc1ccc2cc([C@H](C)C(=O)N[C@H]3CCCC[C@@H]3C)ccc2c1 21875482 KZVJJENLDZNITF-AVYPCKFXSA-N 325.452 4.647 0 40 EJAB CCCC(=O)c1cn(CC(=O)Nc2cc(C)cc(C)c2)c2ccccc12 33737726 CKHGDKLPRRQANO-UHFFFAOYSA-N 348.446 4.880 0 40 EJAB Cc1cccc(NC(=O)c2ccc(CSc3ccccn3)cc2)c1 36646426 VTMVNGMBCMLIJY-UHFFFAOYSA-N 334.444 4.935 0 40 EJAB Cc1ccc(C)c(NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)c1 38833433 ZJIVXZDOLGKFBE-KRWDZBQOSA-N 336.479 4.788 0 40 EJAB Cn1ccnc1COc1ccc(/C=C/c2nc3ccccc3s2)cc1 40139585 PLGUKUVSBSZNQH-DHZHZOJOSA-N 347.443 4.779 0 40 EJAB Cc1cc([C@@H]2CCCN2C(=O)Nc2ccc(Cl)cc2Cl)no1 43174922 XGIZOWURFNAEHX-AWEZNQCLSA-N 340.210 4.659 0 40 EJAB FC(F)n1c(CN2CCC[C@@H]2c2ccsc2)nc2ccccc21 46088236 ORDQGPVMDMQVCK-CQSZACIVSA-N 333.407 4.830 0 40 EJAB CCOc1ccc(-c2noc(CNc3cccc4c3CCCC4)n2)cc1 48234709 KJHKBSVAFVCLIQ-UHFFFAOYSA-N 349.434 4.626 0 40 EJAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1cccc2nsnc12 59567918 GZRSOWJXPZRURG-ZRDIBKRKSA-N 347.399 4.603 0 40 EJAB CCO[P@](=O)(O)[C@H](Nc1ccc(C)cc1)c1ccc(Cl)cc1 65090433 ORKNIACHLIVGCH-INIZCTEOSA-N 339.759 4.981 0 40 EJAB Cc1cccc(C2(C(=O)N[C@H](C)c3ccccc3C(F)(F)F)CC2)c1 65874669 QPNAMZSHTGBKFC-CQSZACIVSA-N 347.380 4.923 0 40 EJAB CC[C@@H](CNC(=O)c1cc(-c2ccc(C)cc2)on1)c1ccccc1 72238494 CSFGRBQCMSTAJC-INIZCTEOSA-N 334.419 4.574 0 40 EJAB CN(CC1CCCCC1)C(=O)c1cnc(-c2ccccc2F)s1 78702685 GGNOETXUHUWVPL-UHFFFAOYSA-N 332.444 4.602 0 40 EJAB Cc1cc2c(cc1C(F)(F)F)N(C(=O)OC(C)(C)C)CCC[C@H]2O 91302077 PCWLNIVCVKFQRY-CQSZACIVSA-N 345.361 4.583 0 40 EJAB C[C@H](c1nc2ccccc2o1)N(C)Cc1ccccc1Br 95465874 RBALQSXJESIXIL-GFCCVEGCSA-N 345.240 4.783 0 40 EJAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1ccc(Cl)cc1Cl)CC2=O 100758647 PDONOQHQGBCJQC-IRXDYDNUSA-N 340.250 4.717 0 40 EJAB O=C(O)c1cc(Cl)c2[nH]c(-c3ccc(Cl)c(Cl)c3)nc2c1 216923069 YAQCJLVXUOCDMH-UHFFFAOYSA-N 341.581 4.888 0 40 EJAB Cc1cc(C)cc(O[C@H](C)C(=O)NCc2cccc3ccccc23)c1 222877535 BTNJJQDJNVHQTM-QGZVFWFLSA-N 333.431 4.540 0 40 EJAB CCOc1ccc(C(=O)Nc2c(CC)cccc2CC)cc1COC 224689809 MLNSUUIJYWUNSD-UHFFFAOYSA-N 341.451 4.609 0 40 EJAB CCOc1ccccc1CNC(=S)Nc1ccc(C)c(Cl)c1 225441864 RBWXAMFXNNRHSM-UHFFFAOYSA-N 334.872 4.534 0 40 EJAB Cc1nnc(SCc2c(F)cccc2Cl)n1-c1ccccc1 287593 ZIHRVLRWWYRPDA-UHFFFAOYSA-N 333.819 4.661 0 40 EJAB CCCC(=O)NC(=S)Nc1ccc(Oc2ccc(Cl)cc2)cc1 341944 WUFSVVBBBPHGFN-UHFFFAOYSA-N 348.855 4.745 0 40 EJAB CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1cc(C)cc(C)c1 505956 GEZURQONAXKFNK-OAHLLOKOSA-N 340.492 4.944 0 40 EJAB O=C(OCC(F)(F)F)c1ccc(-c2nc3ccccc3s2)s1 3221585 ATHZECJMGULSSX-UHFFFAOYSA-N 343.351 4.744 0 40 EJAB Cc1ccnc(SCC(=O)c2ccc(C3CCCCC3)cc2)n1 3232079 YEKTWMHLCQOSMT-UHFFFAOYSA-N 326.465 4.808 0 40 EJAB CCN(c1cccc2ccccc12)S(=O)(=O)c1ccc(C)cc1C 3321537 AVDUHNZIZXQBQV-UHFFFAOYSA-N 339.460 4.672 0 40 EJAB O=C(OCc1cccc(C(F)(F)F)c1)c1ccc2ccccc2n1 3338330 LAHLDHGKBLUERN-UHFFFAOYSA-N 331.293 4.611 0 40 EJAB Cc1ccc2nc(NC(=O)c3cc(F)c(F)cc3Cl)sc2c1 3592181 CRTADXOPRYGFNJ-UHFFFAOYSA-N 338.766 4.789 0 40 EJAB CCOC(=O)c1cnc2ccc(Cl)cc2c1Nc1ccccc1 5657042 ORRALDYPDFHHER-UHFFFAOYSA-N 326.783 4.809 0 40 EJAB Fc1ccc(-c2cc3ncnc(SC[C@@H]4CCCO4)c3s2)cc1 7544096 IAMVQHIMFYUKNM-ZDUSSCGKSA-N 346.452 4.769 0 40 EJAB CSc1ccc(CN(C)C(=O)Nc2nc3ccccc3s2)cc1 9711722 GBHUACHSVCZMKX-UHFFFAOYSA-N 343.477 4.682 0 40 EJAB Cc1ccoc1C(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 10697166 FWDXGGKFYRYPKB-GOSISDBHSA-N 344.414 4.631 0 40 EJAB Cc1cc(C)cc(NCc2cc3cc(C)c(Cl)cc3[nH]c2=O)c1 12493124 HKLXQWXEJYYJFT-UHFFFAOYSA-N 326.827 4.719 0 40 EJAB CC[C@H](NC(=O)[C@@H](C)Oc1cccc(C)c1C)c1ccc(C)cc1 20454856 YFKNUPKPDIULHY-MJGOQNOKSA-N 325.452 4.647 0 40 EJAB Cc1cccc(-n2ccnc2S[C@H](C)c2nc(C(C)C)no2)c1C 27811027 HZWXMTMWFXAKTQ-CQSZACIVSA-N 342.468 4.849 0 40 EJAB C[C@@H]1C[C@@H](NC(=O)Nc2ccc(Br)cc2)CC(C)(C)C1 30835595 FVTFSUCPTFOUPE-BXUZGUMPSA-N 339.277 4.785 0 40 EJAB OC1=Nc2nc(N3CCCCC3)sc2[C@H](c2c(F)cccc2F)C1 36358608 LHZUWAFONVIJAX-JTQLQIEISA-N 349.406 4.535 0 40 EJAB C[C@H]1CCCN(Cc2ccc(C(=O)N3CCCc4ccccc43)cc2)C1 38755757 AOEUVQNQWZGMKZ-SFHVURJKSA-N 348.490 4.512 0 40 EJAB Cc1ccc(CCCC(=O)N[C@@H](c2ccccc2)c2ccccn2)cc1 40141289 NGHAWWQBERPJLS-QHCPKHFHSA-N 344.458 4.619 0 40 EJAB Cc1cc(NC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)ccc1Cl 57412705 KDCARWKNMINUDO-UHFFFAOYSA-N 346.217 4.944 0 40 EJAB CCCCSc1nnc(-c2ccncc2)n1-c1ccc(C)c(C)c1 57934360 CGLPHFSGUAEYMS-UHFFFAOYSA-N 338.480 4.838 0 40 EJAB O=C(c1ccc(Cl)cc1F)N(Cc1ccsc1)c1cccnc1 58265931 XVKNSJZWIOPZFQ-UHFFFAOYSA-N 346.814 4.783 0 40 EJAB c1ccc([C@@H](NCc2cnc(C3CCC3)s2)C2CCCC2)nc1 95415530 BZDLCPSUGFCRBN-SFHVURJKSA-N 327.497 4.827 0 40 EJAB CCn1c([C@H](C)Nc2ccnc(-c3ccccc3)n2)nc2ccccc21 95947911 ORIXRSUIKHYACK-HNNXBMFYSA-N 343.434 4.686 0 40 EJAB Cc1noc(C)c1[C@@H](C)N[C@H](C)c1cc(Br)ccc1F 95968001 WIZGCFOFHBHWJT-RKDXNWHRSA-N 341.224 4.605 0 40 EJAB O=C(CCc1ccccc1F)N(Cc1ccsc1)Cc1ccco1 96120261 JAUCTJYWCXHDMW-UHFFFAOYSA-N 343.423 4.642 0 40 EJAB CC[C@@H](NC(=O)Cc1ccc(C)c(C)c1)c1ccc2c(c1)CCCC2 223081065 WRQKUTSZPDURQH-JOCHJYFZSA-N 335.491 4.992 0 40 EJAB S=C(NCC1(c2ccccc2)CCCC1)Nc1ccc(Cl)cn1 223970811 ODNNJACXBDJQEB-UHFFFAOYSA-N 345.899 4.533 0 40 EJAB COc1ccc(NC(=S)N[C@@H](C)c2ccc(F)cc2)cc1Cl 225471899 ADXMNGKTARWHGD-JTQLQIEISA-N 338.835 4.535 0 40 EJAB O=C(CSCc1c(Cl)cccc1Cl)N[C@@H]1C[C@H]2CC[C@H]1C2 250780230 HVISAQAXDOQFFH-ZIBATOQPSA-N 344.307 4.531 0 40 EJAB COC(=O)c1ccc(CN2c3cc(C)ccc3[C@H](C)CC2(C)C)o1 260616348 IXECOTOWSHFVKM-CQSZACIVSA-N 327.424 4.667 0 40 EJAB Cc1ccc(S[C@@H](C)C(=O)N[C@H](C)CCc2ccccc2)cc1 408578020 RVPYABJOABWOFW-SJORKVTESA-N 327.493 4.613 0 40 EJAB Fc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccco4)=NN23)cc1 385943 VIBQLOPNPYCJJC-XLIONFOSSA-N 334.350 4.661 0 40 EJAB CC(C)(C)c1ccc(C(=O)OCC(=O)c2ccc(Cl)cc2)cc1 2594742 IGHZVBQTBZUPGT-UHFFFAOYSA-N 330.811 4.677 0 40 EJAB O=C(Nc1cccc(-c2nc3cccnc3s2)c1)c1cccc(F)c1 2961509 FCYOYTLVEKBAFV-UHFFFAOYSA-N 349.390 4.750 0 40 EJAB Cc1ccc(C(NC(=O)N2CCCCCC2)=C(Cl)Cl)cc1F 3205620 XEYMDXSTQROYSX-UHFFFAOYSA-N 345.245 4.823 0 40 EJAB c1ccc([C@@H]2C[C@H](c3cccc4ccccc34)n3ncnc3N2)cc1 3215842 IWWVHBLLICZEHD-VQTJNVASSA-N 326.403 4.578 0 40 EJAB O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc(Br)c1 3566730 SSHFMLOFXWHBJD-UHFFFAOYSA-N 344.130 4.720 0 40 EJAB CSc1cccc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)c1 4517490 RZPUWAWNWFCXMF-UHFFFAOYSA-N 344.436 4.923 0 40 EJAB CCn1cc(NC(=O)Nc2cc(Cl)ccc2OC)c2ccccc21 5266191 BBRDWAPUSMNYBL-UHFFFAOYSA-N 343.814 4.967 0 40 EJAB Cc1nc2cc(NC(=O)c3ccccc3)ccc2n1-c1ccccc1 5827533 ICDQDMOTQFHXKJ-UHFFFAOYSA-N 327.387 4.586 0 40 EJAB CSC(=S)C[C@H](O)[C@@H]1CC2c3ccccc3C1c1ccccc12 6004904 HBXQKYHUVCXNNU-NRGCRIOASA-N 340.513 4.725 0 40 EJAB C[C@H](NC(=O)c1ccccc1Br)c1ccc(Cl)cc1 7644661 IBBWGUNPNNPXII-JTQLQIEISA-N 338.632 4.594 0 40 EJAB O=C(/C=C/c1ccccc1Cl)Nc1nc(-c2cccs2)ns1 8673407 KGSOZLAVGWDJFW-BQYQJAHWSA-N 347.852 4.572 0 40 EJAB aggregator COc1ccc(SCCCC(=O)Nc2cccc(C)c2C)cc1 10218027 OJOWTAHDXZDNRE-UHFFFAOYSA-N 329.465 4.823 0 40 EJAB COc1ccc(SCCCC(=O)Nc2cc(C)ccc2C)cc1 10218051 HZVQMZCGEOISAU-UHFFFAOYSA-N 329.465 4.823 0 40 EJAB COc1ccc(-c2cc3c(SCc4ccccc4)nccn3n2)cc1 16842559 IRGJPGMFMCBWAU-UHFFFAOYSA-N 347.443 4.697 0 40 EJAB Cc1cnc(N2C(=O)CS[C@H]2c2cccc(Cl)c2Cl)s1 17198071 AIPHTRVOWQSLOL-LBPRGKRZSA-N 345.276 4.537 0 40 EJAB CCn1cc(C(=O)Nc2c(C)cccc2C(C)C)c(=O)c2ccccc21 22234487 VKBNDGKFKZSEDT-UHFFFAOYSA-N 348.446 4.706 0 40 EJAB O=C(Nc1cnc2ccccc2c1)c1cccnc1Oc1ccccc1 26747991 ZHUDEDRSZIDYLS-UHFFFAOYSA-N 341.370 4.674 0 40 EJAB O=C1c2cccc3cccc(c23)N1CNc1cccc(C(F)(F)F)c1 28629449 BQHRYRKFAAPUMY-UHFFFAOYSA-N 342.320 4.888 0 40 EJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)c1ccc(C)cc1 30871522 RNNKPZKKYGGKTM-KSSFIOAISA-N 331.843 4.683 0 40 EJAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CCc1cccc(F)c1 37164699 VJEQWTFUFCYHPI-AWEZNQCLSA-N 325.383 4.724 0 40 EJAB CCOC(=O)c1cc(/C=C/c2ccsc2)nc(-c2ccccc2)n1 40146047 SSIZHXCMQQPMMM-CMDGGOBGSA-N 336.416 4.552 0 40 EJAB NC(=O)c1ccc2oc(-c3cc(Cl)cc(Cl)c3Cl)nc2c1 45919915 WVLFURREGIRTNW-UHFFFAOYSA-N 341.581 4.554 0 40 EJAB Cc1ccc(NC(=O)c2ccc(CSc3ccccc3)cc2)nc1 57564825 DTVQQLZILGILJO-UHFFFAOYSA-N 334.444 4.935 0 40 EJAB O=C(Nc1nc2c(s1)CCCCCC2)c1nccc2ccccc12 65488449 XFIVDKLQVXGPMV-UHFFFAOYSA-N 337.448 4.603 0 40 EJAB COc1ccc(OC)c(NC(=S)Nc2cccc(C(C)C)c2)c1 71760683 DMQDETZRDRXGFD-UHFFFAOYSA-N 330.453 4.636 0 40 EJAB C[C@H](N[C@@H](c1ccc(Cl)cc1)C1CC1)c1ccc([S@@](C)=O)cc1 89904900 AUECQLRHFAMZEW-NOQKTNJKSA-N 347.911 4.879 0 40 EJAB CCCCN(C)C(=O)c1cc2c(c3ccccc3n2C)n1C(C)C 96037270 AMACGKWTTOVFQR-UHFFFAOYSA-N 325.456 4.586 0 40 EJAB O=c1c2ccc(Cl)cc2nc2n1CC/C2=C/c1ccccc1Cl 96759069 WSZVHEIEGGKRLF-XFXZXTDPSA-N 343.213 4.648 0 40 EJAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)C1(c3cccc(F)c3)CCCC1)C2 102333777 IFTRZGCOYGZCOF-KLHJMIIUSA-N 343.486 4.969 0 40 EJAB CC(C)Oc1cccc(CNC(=O)CCc2cccc3ccccc23)c1 222671121 SPXRRBJXHJSFGY-UHFFFAOYSA-N 347.458 4.876 0 40 EJAB Cc1cccc(CSCC(=O)Nc2cccc(OC(C)C)c2)c1 222739211 DLQDHCDTAVFMTI-UHFFFAOYSA-N 329.465 4.654 0 40 EJAB CC1=CC(C)(C)N(C(=O)C(C)(C)Br)c2ccc(C)cc21 223237289 SYSVKLAWCDVNNP-UHFFFAOYSA-N 336.273 4.697 0 40 EJAB CC(C)c1ccccc1OCCNC(=O)c1ccc(C(C)(C)C)cc1 223744135 AXEGJUWFWMPNML-UHFFFAOYSA-N 339.479 4.916 0 40 EJAB CO[C@@H](C)c1nc(Cc2nc(C3CCC(C)(C)CC3)no2)cs1 585084300 CXZZPMUVHKPGND-NSHDSACASA-N 335.473 4.508 0 40 EJAB Clc1ccc(CN2[C@H]3CC[C@H]2CC(n2cccn2)C3)cc1Cl 1888859324 LOYWWSWPEBCYDA-KBPBESRZSA-N 336.266 4.558 0 40 EJAB CSc1nc(C=C(C)C)ccc1CNC(=O)c1ccc(Cl)cc1 269484 KIELASLPVPYGEC-UHFFFAOYSA-N 346.883 4.810 0 40 EJAB Cc1ccnc(NC(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)c1 995969 RIBJSPMTENWRNE-UHFFFAOYSA-N 343.386 4.759 0 40 EJAB Cc1cccc(N2C(=O)S/C(=C\c3c[nH]c4ccccc34)C2=O)c1 1198497 DFGRARRIIJFCBL-YVLHZVERSA-N 334.400 4.717 0 40 EJAB O=C(Nc1nccs1)c1ccccc1SCCC(F)=C(F)F 1398609 FZWRPAWGDHQBSF-UHFFFAOYSA-N 344.383 4.955 0 40 EJAB COP(=O)(OC)O/C(=C/Cl)c1ccc(Cl)cc1Cl 2003718 QSGNQELHULIMSJ-UXBLZVDNSA-N 331.519 4.948 0 40 EJAB in-vitro CCCCNC(=S)Nc1ccc(Oc2ccc(OCC)cc2)cc1 2642888 FODQPTFNKSPOEZ-UHFFFAOYSA-N 344.480 4.964 0 40 EJAB COc1ccc(C(=O)NCCC(c2ccccc2)c2ccccc2)cc1 2736316 KFELNLQGAAUUFP-UHFFFAOYSA-N 345.442 4.647 0 40 EJAB CCOc1cc(/C=C/c2cc(C(=O)O)c3ccccc3n2)ccc1OC 5787748 BMEPDHGCBONRNC-CSKARUKUSA-N 349.386 4.511 0 40 EJAB O=C(NC(c1ccccc1)c1ccccc1)c1ccc2ccccc2n1 5871702 MGJCHYNGCCDWFF-UHFFFAOYSA-N 338.410 4.754 0 40 EJAB CCOc1ccccc1NC(=O)c1sc(-c2cccs2)nc1C 6789221 QTEAOOQDHLWWBF-UHFFFAOYSA-N 344.461 4.831 0 40 EJAB Cc1c(C(=O)Nc2nc3ccc(F)cc3s2)oc2ccc(F)cc12 8210614 ZSCNUZCIARLBFQ-UHFFFAOYSA-N 344.342 4.881 0 40 EJAB CC(C)C(=O)Nc1ccc(-c2nc(-c3ccc(Cl)cc3)no2)cc1 8559107 LZTATPWIPUCEPG-UHFFFAOYSA-N 341.798 4.652 0 40 EJAB Cc1ccc(C)c(NC(=O)CCc2ncc(-c3ccccc3F)o2)c1 8750305 DCYTWMUYQRWJGG-UHFFFAOYSA-N 338.382 4.669 0 40 EJAB O=C1c2ccccc2N[C@@H](c2ccc(-c3ccc(F)cc3)o2)N1C1CC1 12533027 HMHFRSRJKKEHNM-HXUWFJFHSA-N 348.377 4.815 0 40 EJAB CC(C)(C)c1cc(NC(=O)[C@H]2CC=CCC2)n(Cc2ccccc2)n1 12797021 VFQYJESRPVJQPF-KRWDZBQOSA-N 337.467 4.524 0 40 EJAB C[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccccc1Cl 13708882 GECLIGSOXUPKNX-ZDUSSCGKSA-N 325.795 4.899 0 40 EJAB Cc1ccc(NC(=S)Nc2cccc(C(F)(F)F)c2)cc1F 13794310 ZJAIOKHLELGGKS-UHFFFAOYSA-N 328.334 4.962 0 40 EJAB CC(=O)Nc1ccc(OC(=O)c2oc3c(Cl)cccc3c2C)cc1 14627846 HONPKPPIMGDVIZ-UHFFFAOYSA-N 343.766 4.572 0 40 EJAB COc1ccc(/C=C/c2ccnc3c(-c4ccccc4)c(C)nn23)cc1 19960990 GVLXRPLZHNRBLN-DHZHZOJOSA-N 341.414 4.884 0 40 EJAB Fc1ccc(OCc2coc(-c3ccccc3)n2)c(Br)c1 24725414 JHGYVWNDLWVZLL-UHFFFAOYSA-N 348.171 4.822 0 40 EJAB O=C(Cc1cccc2ccccc12)OCc1csc(-c2ccco2)n1 25454310 QNKZJXNBZWPWPR-UHFFFAOYSA-N 349.411 4.842 0 40 EJAB Cc1c(C)n(C)c2ccc(C(=O)Nc3cccc4cccnc34)cc12 27980056 SXTMUDSJMUGVKY-UHFFFAOYSA-N 329.403 4.596 0 40 EJAB CSc1nc2ccc(NC(=O)c3c[nH]c4ccccc34)cc2s1 36649528 XSQYBTURQKQFKC-UHFFFAOYSA-N 339.445 4.752 0 40 EJAB CC[C@@H](Oc1ccccc1Cl)C(=O)NC12CC3CC(CC(C3)C1)C2 44848880 WQBCJHDHULSSGN-SJFHUFEGSA-N 347.886 4.582 0 40 EJAB CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccccc1 49050221 CQBDMXYZNLJUFT-UHFFFAOYSA-N 330.435 4.558 0 40 EJAB CCOC(=O)c1ccc(NCn2c(=S)sc3ccccc32)cc1 59475366 VGMGWUSFFXSGEP-UHFFFAOYSA-N 344.461 4.679 0 40 EJAB CN1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 72215607 BXKINAIMQVLGAJ-KRWDZBQOSA-N 345.487 4.532 0 40 EJAB Cc1ccc(C)n1C1CCN(Cc2cc(-c3ccccc3)no2)CC1 89652249 PVJUUNCIRFOHCP-UHFFFAOYSA-N 335.451 4.597 0 40 EJAB CCc1ccc(O[C@@H](CC)C(=O)N[C@H]2CCCc3ccccc32)cc1 113968902 NRGGPVGHECXVSP-SFTDATJTSA-N 337.463 4.600 0 40 EJAB O=C([C@H]1C[C@H]2C=C[C@H]1C2)N1CCCC[C@@H](c2ccc(Cl)cc2)C1 206880498 GARJKMUUBOKHAV-RMRDIRSESA-N 329.871 4.648 0 40 EJAB COc1ccccc1CNc1ccc(Br)c(Cl)c1 218007312 WGFHOJVVBHUQKD-UHFFFAOYSA-N 326.621 4.723 0 40 EJAB Cc1ccccc1CSCC(=O)N[C@@H](C)c1ccc2c(c1)CCC2 223152392 RMEVKRLKKYDYSA-INIZCTEOSA-N 339.504 4.594 0 40 EJAB COc1ccc(C(=O)N[C@H](CC(C)C)c2ccccc2)cc1Cl 223637203 YAVVEABJPSFUJN-QGZVFWFLSA-N 331.843 4.866 0 40 EJAB COc1cc2ccccc2cc1C(=O)NC(C)(C)Cc1ccccc1 224233900 RXLYOIHNVDMPNK-UHFFFAOYSA-N 333.431 4.600 0 40 EJAB Cc1cccc(CSCCNC(=O)c2ccc(C)cc2Cl)c1 224995819 VKOJEMWMGIOAKO-UHFFFAOYSA-N 333.884 4.620 0 40 EJAB Nc1nc(Cl)cc(Nc2ccccc2Sc2ccccc2)n1 225207411 ZKNQUAAWPDURGD-UHFFFAOYSA-N 328.828 4.607 0 40 EJAB Cc1ccc(SCCCNC(=S)Nc2cccc(F)c2)cc1 225587492 KYTZFNFGJMKIBL-UHFFFAOYSA-N 334.485 4.603 0 40 EJAB Cc1c(Cl)cccc1NC(=O)Cc1cccc(Br)c1 225613443 VSSNESTZNKTXBJ-UHFFFAOYSA-N 338.632 4.592 0 40 EJAB Cc1ccc(-c2cc(NC(=O)c3cc(-c4ccccc4)on3)on2)cc1 606422337 NWTOPPIGRYSOCS-UHFFFAOYSA-N 345.358 4.557 0 40 EJAB Cc1nc(CCCC(=O)N2CC[C@@H](CC(C)(C)C)C2(C)C)cs1 622709228 BYSFONQEQWZHEE-HNNXBMFYSA-N 336.545 4.838 0 40 EJAB Cc1nc(-c2cccc(OCCCOc3ccc(Cl)cc3)c2)no1 642609446 XURDYYHFLZLGNS-UHFFFAOYSA-N 344.798 4.546 0 40 EJAB Oc1ccc(Cl)c(CN2CCC(Cc3ccccc3F)CC2)c1 1642004574 ZYMBYVOZGFTYPM-UHFFFAOYSA-N 333.834 4.639 0 40 EJAB Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1 557977 ZFKRNUBGYYCVAS-UHFFFAOYSA-N 348.368 4.866 0 40 EJAB S=C(Nc1ccccc1)Nc1ccc(Br)c(Cl)c1 559730 BWNWWBCYJMEARU-UHFFFAOYSA-N 341.661 4.911 0 40 EJAB O=C(c1ccccc1)C(CCc1ccccn1)CCc1ccccn1 1675621 JQEBYWZQXJDXTD-UHFFFAOYSA-N 330.431 4.541 0 40 EJAB CC[C@]1(C)C[C@@](CCN(Cc2ccco2)C(C)=O)(C(C)C)CCO1 2110873 WECPRHUTBOEXOM-UXHICEINSA-N 335.488 4.640 0 40 EJAB biogenic CCOC(=O)c1ccccc1NC(=O)/C=C/c1ccc(C(C)C)cc1 2737488 XGWOJTBJDICTMT-SDNWHVSQSA-N 337.419 4.639 0 40 EJAB FCCCOc1ccc(-c2nccc(-c3ccc(F)cc3)n2)cc1 4050167 OXXDZDANKONPNS-UHFFFAOYSA-N 326.346 4.688 0 40 EJAB Cc1oc(-c2ccccc2)nc1C(=O)Nc1nc2ccccc2s1 6084645 WHEJNRPMNIWHLU-UHFFFAOYSA-N 335.388 4.512 0 40 EJAB COCc1c(C(=O)Nc2ccc(C)cc2Cl)oc2ccccc12 6272257 IKIHBGHILJXLLP-UHFFFAOYSA-N 329.783 4.793 0 40 EJAB COCCNc1oc2c(c1-c1ccc(C)cc1)c(=O)oc1ccccc12 7636143 ZCZXTYCZCKBFDI-UHFFFAOYSA-N 349.386 4.573 0 40 EJAB Cc1cccc2sc(NC(=O)/C=C/c3ccc4ccccc4n3)nc12 7725095 JBLVGAILYQHFPZ-VAWYXSNFSA-N 345.427 4.805 0 40 EJAB O=C(c1cc(C2CC2)nn1-c1ccccc1)N1CCC[C@@H]2CCCC[C@@H]21 7780518 IBEAOTZZIAVUMH-PXNSSMCTSA-N 349.478 4.545 0 40 EJAB Cc1ccc(C(=O)N2CCc3sccc3[C@@H]2c2ccccc2)cc1 8115136 RRSYOAHBCNESJU-FQEVSTJZSA-N 333.456 4.844 0 40 EJAB Cc1ccc(-c2cnc3c(-c4ccc(Cl)cc4)cnn3c2N)cc1 8730753 WPQXDIMEGMLFBL-UHFFFAOYSA-N 334.810 4.607 0 40 EJAB O=C(Nc1ccc(-c2nccs2)cc1)c1ccccc1OC(F)F 8988308 RDYNUXFYBQWCOY-UHFFFAOYSA-N 346.358 4.664 0 40 EJAB Cc1ccccc1CNC(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 9758367 RVVUGFNGMPTNJG-SFHVURJKSA-N 328.843 4.599 0 40 EJAB COc1ccc(NC(=O)c2ccccc2C)cc1Cc1ccccc1 12041371 MITIASIATYERIN-UHFFFAOYSA-N 331.415 4.847 0 40 EJAB Clc1cccc(/C=C/c2nn3c(-c4ccccc4)nnc3s2)c1 12274159 ZHGFWFGSPCHYSS-MDZDMXLPSA-N 338.823 4.677 0 40 EJAB C[C@@H](CN1[C@@H](C)CCC[C@@H]1C)OC(=O)c1ccc(C(C)(C)C)cc1 12362939 WNBGEAYOJFECOY-ULQDDVLXSA-N 331.500 4.792 0 40 EJAB C[C@@H](Sc1ncc2ccccn12)C(=O)Nc1cccc2ccccc12 12541240 KLIAROSUCMSEGI-CQSZACIVSA-N 347.443 4.607 0 40 EJAB O=C(Nc1cccc(Cl)c1)c1cccnc1SCC(F)(F)F 12851211 YELCVEPJSKCKEB-UHFFFAOYSA-N 346.761 4.642 0 40 EJAB CC[C@@H](C)C(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 12860949 ABWDGDGZGQNLDN-SNVBAGLBSA-N 342.386 4.737 0 40 EJAB CC(=O)c1cccc(NC(=S)Nc2cccc(C(F)(F)F)c2)c1 13791931 VFEYUUQVBGEWTI-UHFFFAOYSA-N 338.354 4.717 0 40 EJAB Cc1c(-c2ccccc2)n[nH]c1C(=O)N[C@H](c1cccs1)C(C)C 19555138 HBVBKNMRSRFFPS-INIZCTEOSA-N 339.464 4.574 0 40 EJAB CCOCCOc1ccc(NCc2ccc(O[C@H](C)CC)cc2)cc1 19738436 GNNFVVWQMFYUFR-QGZVFWFLSA-N 343.467 4.891 0 40 EJAB Fc1ccccc1-c1n[nH]c(SCc2ccc(Cl)s2)n1 21374211 MSTWLPOLFQCNQI-UHFFFAOYSA-N 325.821 4.618 0 40 EJAB COc1ccc(Cc2nc(-c3ccccc3F)cs2)cc1OC 23624799 GKAQOADJBPAZRZ-UHFFFAOYSA-N 329.396 4.557 0 40 EJAB COc1ccc(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2C)cc1 25368209 PRWGVEATADUNSC-LBPRGKRZSA-N 335.856 4.776 0 40 EJAB O=C(Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)C1CCCC1 29013048 QFBOAMTZUGJHJV-UHFFFAOYSA-N 340.370 4.958 0 40 EJAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)Cc1c(F)cccc1Cl 32753920 MAHALPKIJVPZJG-LBPRGKRZSA-N 345.801 4.987 0 40 EJAB COC(=O)c1c(CCc2ccc(Cl)c(Cl)c2)cccc1OC 35973626 HCXXZXNGWGCWQM-UHFFFAOYSA-N 339.218 4.574 0 40 EJAB CCOCCCNc1nc(-c2ccc(Cl)cc2)cc(C(F)F)n1 36614198 YLEPMMSGAJNVPG-UHFFFAOYSA-N 341.789 4.573 0 40 EJAB Cc1ccc(NC(=O)CSc2cccc3cccnc23)cc1Cl 59211390 UACNJYOSKFXYNJ-UHFFFAOYSA-N 342.851 4.927 0 40 EJAB Cc1ccc2sc(/C=C/c3ccc(OCCC(=O)O)cc3)nc2c1 60707220 QFSKXLVEFQNNSU-WEVVVXLNSA-N 339.416 4.629 0 40 EJAB Cc1nc(C(C)C)sc1C(=O)NC(C)(C)c1ccc(F)c(F)c1 75106208 VORZJMFYHGLEHV-UHFFFAOYSA-N 338.423 4.518 0 40 EJAB COC(=O)[C@@H]1[C@H](c2ccc(-c3ccccc3)cc2)N1C1CCCCC1 90513732 IORCSIWZIMABRA-MMBKUXRPSA-N 335.447 4.585 0 40 EJAB C[C@H](c1ccccn1)N(C(=O)c1ccc(-c2cscn2)cc1)C1CC1 95410103 RWKLMCZFEVXPEV-CQSZACIVSA-N 349.459 4.571 0 40 EJAB Cc1ccc(-c2nc(C)c([C@H](C)N[C@H](C)c3cnn(C)c3)s2)cc1 96477352 MDLAOYIMGBHMSF-KGLIPLIRSA-N 340.496 4.572 0 40 EJAB CC(C)(C)c1ccccc1OCC(=O)N[C@H]1CCCc2ccccc21 222798915 RDZJYZNIAMVPJH-IBGZPJMESA-N 337.463 4.557 0 40 EJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NC1CCCCCC1 225375709 ZIPMMEKJLBCXLC-HXUWFJFHSA-N 329.484 4.562 0 40 EJAB Cc1ccc(CCCNC(=S)Nc2ccc(F)c(Cl)c2)cc1 225387951 DTBDGAFYYKVHQV-UHFFFAOYSA-N 336.863 4.707 0 40 EJAB C[C@H](NC(=S)Nc1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 225472673 AUCONMAEWAXVFI-JTQLQIEISA-N 342.361 4.892 0 40 EJAB CC(C)c1ccc(NC(=S)NCCOc2ccccc2Cl)cc1 225779330 GWUKLNKAPMPVHN-UHFFFAOYSA-N 348.899 4.829 0 40 EJAB CCO[C@](C)(C(=O)Nc1ccc(OC(C)C)c2ccccc12)C1CC1 225837087 FIJUGARTXYQHAS-NRFANRHFSA-N 341.451 4.771 0 40 EJAB C[C@H](CC(=O)N1CC(C(C)(C)C)C1)c1ccccc1C(F)(F)F 622684730 RFSNOPRWHCHLIE-GFCCVEGCSA-N 327.390 4.704 0 40 EJAB CCCCCn1c(-c2cccc(OC)c2)nc2nc3ccccc3nc21 2420353 BEGMOGFNDFILRT-UHFFFAOYSA-N 346.434 4.845 0 40 EJAB O=C(c1ccc(Cl)cc1Cl)N(c1ccccn1)c1ccccn1 3183635 NEZWJGSKPDCDGK-UHFFFAOYSA-N 344.201 4.762 0 40 EJAB Cc1ccc(CNC(=O)c2ccc(COc3ccccc3)cc2)cc1 5698721 AGBUTVSFVXEQHO-UHFFFAOYSA-N 331.415 4.504 0 40 EJAB O=c1ccc2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2o1 7466988 AJHBRMSMOWANGG-UHFFFAOYSA-N 341.672 4.653 0 40 EJAB Cc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c(C)n1C(C)C 8334075 MMYKEJFBYQDZTL-MVLGTPAKSA-N 347.528 4.775 0 40 EJAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccccc1C(F)(F)F 8497772 FHJHCLQIFJKVHZ-INIZCTEOSA-N 337.341 4.810 0 40 EJAB Cc1ccc([C@H]2CC(=O)c3c(C)nc(Nc4ccccc4)nc3C2)cc1 10156535 XLYDILLZRAEWDG-QGZVFWFLSA-N 343.430 4.750 0 40 EJAB Cc1ccccc1[C@H](C)NC(=O)Cc1csc(-c2cccs2)n1 12926191 QZZUPDIBMVLOHM-ZDUSSCGKSA-N 342.489 4.600 0 40 EJAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(Br)cc1 14013250 AZDBPCGLRUFLNW-INIZCTEOSA-N 348.240 4.554 0 40 EJAB COc1ccc(NC(=O)c2ccccc2Cc2ccccc2)cc1OC 15012351 AEXDOENHKJTXQN-UHFFFAOYSA-N 347.414 4.547 0 40 EJAB COc1ccc(C)cc1CN[C@@H](Cc1cccs1)c1nccs1 19133620 AHCHDLOEMSVNMF-INIZCTEOSA-N 344.505 4.595 0 40 EJAB CCc1ccc(-c2nc(Nc3ccccc3)sc2CC(=O)O)cc1 19894588 JNNCLTIDQVGDBE-UHFFFAOYSA-N 338.432 4.743 0 40 EJAB Cc1cc2nc(-c3ccc(C)c(NC(=O)C(F)(F)F)c3)oc2cc1C 21578623 FPMMFSLKUBIMCZ-UHFFFAOYSA-N 348.324 4.921 0 40 EJAB O=C(CSC/C=C/c1ccccc1)NC12CC3CC(CC(C3)C1)C2 23414744 RAWDZAUWCRYWIL-QPJJXVBHSA-N 341.520 4.518 0 40 EJAB CC[C@@H](NC(=O)c1ccccc1OC(F)F)c1ccc(Cl)cc1 28617142 IDJCYMBZBDEGJN-CQSZACIVSA-N 339.769 4.823 0 40 EJAB CC(C)=C[C@H]1[C@H](C(=O)Nc2ccc(Cc3ccncc3)cc2)C1(C)C 30955026 DXDKRPIKKVMJBU-VQTJNVASSA-N 334.463 4.849 0 40 EJAB O=C(Nc1ccnn1C1CCCCC1)c1cccc(Cl)c1Cl 32969274 HURLSMLRJBBNET-UHFFFAOYSA-N 338.238 4.947 0 40 EJAB CCCSc1nnc(NC(=O)CCc2ccc(C(C)C)cc2)s1 41019044 IZALRKOBQFOIDQ-UHFFFAOYSA-N 349.525 4.735 0 40 EJAB C[C@@H]1CCN(C(=O)c2[nH]c3ccccc3c2Cl)[C@H]2CCCC[C@@H]21 58407531 JYAWNGHLPBLRNT-IOASZLSFSA-N 330.859 4.862 0 40 EJAB Cc1cc(C(=O)N(c2ccc(Nc3ccccc3)cc2)C(C)C)on1 60542903 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40 EJAB COCCn1c(-c2ccccc2)cnc1NCc1ccc(C(C)C)cc1 4679256 KZZIPHRJJKRGOK-UHFFFAOYSA-N 349.478 4.932 0 40 EJAB C[C@H]1CC(C)(C)N(C(=O)CNCCC2=CCCCC2)c2ccccc21 4894671 AMFNNUAJNVOMEE-KRWDZBQOSA-N 340.511 4.786 0 40 EJAB C[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](C)CCc1ccccc1 6123995 KXFGGYZCZBJGCD-CABCVRRESA-N 347.911 4.958 0 40 EJAB COc1ccc(CCC(=O)Nc2ccccc2-c2ccccc2)cc1 6609596 LBDVVGNNPYQPAM-UHFFFAOYSA-N 331.415 4.934 0 40 EJAB COc1cc(Cl)c(C)cc1NC(=O)c1cc(F)c(F)cc1Cl 6788615 XCTVCTKTBQDDMZ-UHFFFAOYSA-N 346.160 4.841 0 40 EJAB COc1ccc(C)cc1NC(=O)c1sc(-c2ccccc2)nc1C 7996033 LDPRLVFTIVWQNH-UHFFFAOYSA-N 338.432 4.688 0 40 EJAB CC[C@H](NC(=S)Nc1cc(C)cc(C)c1)c1ccc(OC)cc1 8085626 QBJSYTSERMGRGJ-SFHVURJKSA-N 328.481 4.750 0 40 EJAB Cc1ccc(NC(=O)c2sc(-c3ccccn3)nc2C)c(Cl)c1 8122441 ZBPKJGXCDWRRPM-UHFFFAOYSA-N 343.839 4.728 0 40 EJAB Cc1ccc(-c2cn(N)c(SCc3ccccc3Cl)n2)cc1 8706576 AEALFCKIJMYENJ-UHFFFAOYSA-N 329.856 4.518 0 40 EJAB CCCCc1ccc2nc(C)c(CN3CCC[C@@H](C)C3)c(O)c2c1 8717217 CJSVSYJFVMRQGC-OAHLLOKOSA-N 326.484 4.823 0 40 EJAB OC1=Nc2[nH]nc(-c3ccccc3)c2[C@H](c2c(F)cccc2Cl)C1 8992750 NUBCFOMKUAHJBY-NSHDSACASA-N 341.773 4.993 0 40 EJAB C[C@H](CNC(=O)c1cc(C2CC2)nc2ccccc12)c1ccccc1 9377242 BNUUYMLZLWHFNP-OAHLLOKOSA-N 330.431 4.646 0 40 EJAB Cc1ccc(S(=O)(=O)Oc2c(Cl)cccc2Cl)c(C)c1C 12042366 HZXWQQLRBJHIML-UHFFFAOYSA-N 345.247 4.686 0 40 EJAB CN(Cc1c(F)cccc1Cl)c1ncnc2sc3c(c12)CCC3 12586138 CCQXTWLWASAUQC-UHFFFAOYSA-N 347.846 4.609 0 40 EJAB COc1ccc(NC(=O)/C=C/c2cccc3cccnc23)cc1Cl 12790826 MSCFZDMYBYRDCE-JXMROGBWSA-N 338.794 4.549 0 40 EJAB O=C(c1cccc(C(F)(F)F)c1)N1CCCSc2ccccc21 12934041 LSUFTSPXPYLNTL-UHFFFAOYSA-N 337.366 4.848 0 40 EJAB CCC(=O)Nc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 13614240 KMRDIPIHBJGTEJ-UHFFFAOYSA-N 337.206 4.594 0 40 EJAB O=C(NCCSCc1c(Cl)cccc1Cl)C1CCCCC1 13716922 JDDGOPAXSIRBAU-UHFFFAOYSA-N 346.323 4.923 0 40 EJAB CC(C)=C[C@@H]1[C@H](C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)C1(C)C 15022299 ITSBNEWNJSOISB-ZVWZMEFVSA-N 329.528 4.946 0 40 EJAB CCOc1ccccc1[C@H]1SCC(=O)N1c1ccc(C(C)C)cc1 17198546 UPFPFYGYGTVSLA-HXUWFJFHSA-N 341.476 4.987 0 40 EJAB Cc1csc([C@H]2Cc3ccsc3[C@@H](c3cccc(F)c3)N2)n1 19240274 MOQOVRJPZDRGJZ-HUUCEWRRSA-N 330.453 4.629 0 40 EJAB CCc1nnsc1N(Cc1ccc(F)cc1)c1ccc(OC)cc1 32611835 YOAHSKMFAPUOCG-UHFFFAOYSA-N 343.427 4.587 0 40 EJAB CC(C)c1noc([C@@H](C)Nc2ccc3oc(C(C)(C)C)nc3c2)n1 40086314 YKFFBAVWUNFQTN-LLVKDONJSA-N 328.416 4.805 0 40 EJAB C[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](C)c1ccc(F)cc1 44845580 JHZZMWOWEUPJPF-CABCVRRESA-N 337.394 4.624 0 40 EJAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccccc1C(C)C 44900812 KTZRXIAGTMPIKZ-IBGZPJMESA-N 327.424 4.615 0 40 EJAB Cc1ccc(C(=O)Nc2ccc(Br)c(Cl)c2)cc1C 59289021 MPLYFLAOQLSTKH-UHFFFAOYSA-N 338.632 4.972 0 40 EJAB CCCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2C)cn1 72214993 MZFKOPJPRLRJJT-QGZVFWFLSA-N 347.503 4.780 0 40 EJAB CCc1c(C)sc2nc(Cc3cccc4ccccc34)[nH]c(=O)c12 83820187 FDFBVKPZEYSMHG-UHFFFAOYSA-N 334.444 4.599 0 40 EJAB Cc1cc(C)c2nc(-c3cc(Br)ccc3N)sc2c1 85345565 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343.854 4.655 0 40 EJAB CCCNC(=O)c1ccc2nc(-c3ccc(C)cc3)cc(OCC)c2c1 16846294 MPMAXXLMGCXNMD-UHFFFAOYSA-N 348.446 4.749 0 40 EJAB CC(C)c1nc(-c2ccccc2)n2nc3ccc(C(F)(F)F)cn3c12 17043912 AIRRIPWNIUIEDJ-UHFFFAOYSA-N 344.340 4.791 0 40 EJAB Cc1nc(NC(=O)c2csc(-c3ccc(Cl)cc3)n2)sc1C 29582186 DKGNOCXCABELQK-UHFFFAOYSA-N 349.868 4.789 0 40 EJAB COc1ccc(CSc2noc(-c3ccc(Cl)cc3)n2)cc1 32611989 MFEMGUWFGONJOV-UHFFFAOYSA-N 332.812 4.691 0 40 EJAB COc1ccc([C@H]2CCCN2[C@H](C)C(=O)c2c[nH]c3ccccc23)cc1 37458330 PBWZGCKMUODASB-QVKFZJNVSA-N 348.446 4.585 0 40 EJAB CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(-n2ccnc2)nc1 50589756 SDRLCGHNSZVJJS-UHFFFAOYSA-N 348.450 4.766 0 40 EJAB Cc1cc([C@H](C)NC(=O)Nc2ccc3c(c2)CCCN3C)c(C)s1 64562408 QVAGJXSPQVUAID-ZDUSSCGKSA-N 343.496 4.630 0 40 EJAB COC(=O)c1cc(OCc2cccc(Cl)c2)c2cc(C)ccc2n1 65033141 BQYSJYODXMRKLX-UHFFFAOYSA-N 341.794 4.562 0 40 EJAB CCCCN(C(=O)OC(C)(C)C)c1ccc(C2=NCCCC2)cn1 72214989 FOOLCVMFZSNVQH-UHFFFAOYSA-N 331.460 4.596 0 40 EJAB 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40 EJAB CC[C@H](N[C@H](C)c1cnccn1)c1ccc(OC2CCCC2)cc1 95967881 JZVARWKCSFVUCT-BEFAXECRSA-N 325.456 4.600 0 40 EJAB Cc1ccc(-c2ncc(CN3CCC[C@H](O)c4ccccc43)s2)o1 97165666 OZQDAGIVUKGWME-KRWDZBQOSA-N 340.448 4.545 0 40 EJAB Cc1ccc(C)c([C@@H](C)NC(=O)COc2ccccc2C(C)(C)C)c1 222796213 UYRJOIHIBNUAHJ-QGZVFWFLSA-N 339.479 4.857 0 40 EJAB CC(C)Oc1cccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1 224987312 ZBRGMSLPPYUSLW-UHFFFAOYSA-N 347.842 4.923 0 40 EJAB COc1ccc(CCC(=O)N[C@H](C)CC(C)(C)c2ccccc2)cc1 225316995 VDRGGEVAIZAESN-QGZVFWFLSA-N 339.479 4.500 0 40 EJAB Cc1ccc([C@@H](C)NC(=S)Nc2cccc(OC(C)C)c2)cc1 225469987 XSCQEMQWGVDWHI-OAHLLOKOSA-N 328.481 4.830 0 40 EJAB Cc1ccc(NC(=S)NCCCSCc2cccc(C)c2)cc1 225602628 UVKBAAKPFOLZIJ-UHFFFAOYSA-N 344.549 4.913 0 40 EJAB COc1ccc(C(=O)Nc2cccc(-c3csc(C)n3)c2)cc1C 226094694 PBHBDPDIABVIBB-UHFFFAOYSA-N 338.432 4.688 0 40 EJAB CN(C(=O)c1ccc(-c2ccc(N)cc2Cl)o1)C1CCCCC1 226303668 YNCIKWOQWVMRDJ-UHFFFAOYSA-N 332.831 4.587 0 40 EJAB O=C(c1cccc2cccnc12)N1CC2(CCCC2)c2c(F)cccc21 500156288 QSHITWOAHWBUHV-UHFFFAOYSA-N 346.405 4.846 0 40 EJAB COc1ccc2c(Cl)c(C(=O)N3CCc4ccccc43)sc2c1 45938 VXFPRIIRVMWHOX-UHFFFAOYSA-N 343.835 4.766 0 40 EJAB Cc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 190193 RUADQKYAUGJNLH-UHFFFAOYSA-N 327.387 4.791 0 40 EJAB CCOc1cccc2sc(NC(=O)c3cc(C)cc(C)c3)nc12 191227 FDKWXHMJEPJHAL-UHFFFAOYSA-N 326.421 4.564 0 40 EJAB CC1CCN(c2ccc(NC(=O)c3cccc(Cl)c3)cc2)CC1 559746 ZASJIGMIMMHZLS-UHFFFAOYSA-N 328.843 4.829 0 40 EJAB O=C(c1ccc(Cl)c(Cl)c1)c1ccccc1CN1CC=CC1 2515913 VTBJXCJNLDHVOM-UHFFFAOYSA-N 332.230 4.596 0 40 EJAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)CSc1nc2ccccc2o1 3317623 FNUUPZLUHRSIRV-CPUCHLNUSA-N 347.480 4.924 0 40 EJAB CCN(C(=O)[C@@H](C)Sc1ccc2ccccc2n1)c1ccccc1 5627218 IIPBYDNKNMXFOJ-OAHLLOKOSA-N 336.460 4.769 0 40 EJAB COc1cc(-c2nc3sccn3c2Nc2ccccc2)ccc1O 6733111 QVUXHQNMXYAYFV-UHFFFAOYSA-N 337.404 4.521 0 40 EJAB CCCSc1ncc(Cl)c(C(=O)Nc2cccc(Cl)c2)n1 6810507 MPRGFCPPFFTDMO-UHFFFAOYSA-N 342.251 4.538 0 40 EJAB CC(C)NC(=O)CS[C@@H](c1ccccc1)c1ccc(Cl)cc1 7148587 NMZZJRDZCHHYBH-SFHVURJKSA-N 333.884 4.687 0 40 EJAB O=C(CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)N1CCCC1 8518838 PZOQPILRTHLFLZ-UHFFFAOYSA-N 346.430 4.564 0 40 EJAB CC(=O)c1ccc(NC(=O)CNc2ccccc2-c2ccccc2)cc1 11618717 PKTOLQWNEMPKCC-UHFFFAOYSA-N 344.414 4.607 0 40 EJAB COc1cccc(-c2nnc(SCc3ccccc3Cl)o2)c1 12178918 KJGCWMKREXISSZ-UHFFFAOYSA-N 332.812 4.691 0 40 EJAB O=C(Nc1cccc(Cl)c1)c1occc1COc1ccccc1 12888596 WEPOGTGIPRXLJZ-UHFFFAOYSA-N 327.767 4.764 0 40 EJAB C[C@H]1c2ccsc2CCN1C(=O)c1cccc(C(F)(F)F)c1 21638368 RQRFCYXTKJDQLA-JTQLQIEISA-N 325.355 4.526 0 40 EJAB COc1ccc([C@@H]2CCCN2Cc2coc(-c3ccc(C)cc3)n2)cc1 24961615 LALOHAOOBCASSG-NRFANRHFSA-N 348.446 4.996 0 40 EJAB Cc1ccc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)c2cccnc12 31095476 UHWUIXWTGWJOIS-CYBMUJFWSA-N 340.810 4.603 0 40 EJAB Clc1ncnc2c1oc1nc(C3CCCCC3)c3c(c12)CCC3 32093733 NFCQULUUSQQMLI-UHFFFAOYSA-N 327.815 4.961 0 40 EJAB O=C(O)/C=C\c1c(-c2ccc(-c3ccccc3)cc2)nc2ccccn12 33369310 OSUDLXBMNOHLKS-YPKPFQOOSA-N 340.382 4.766 0 40 EJAB CC(C)c1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2cccnc2)cc1 40267379 WERUFYWFGUYROZ-KRWDZBQOSA-N 332.407 4.514 0 40 EJAB COc1ccc([C@@H](CC(C)C)NC(=O)CCc2ccccc2)cc1 44949738 JHSXTALNPYTKGI-HXUWFJFHSA-N 325.452 4.531 0 40 EJAB CCOC1CCN(C(=O)Nc2cccc(-c3sccc3C)c2)CC1 67355087 FTGULVWGRWXEJE-UHFFFAOYSA-N 344.480 4.756 0 40 EJAB CCN(Cc1ccccn1)C(=O)Nc1cc(-c2ccco2)ccc1F 84333273 PGMJQVMQASCUEH-UHFFFAOYSA-N 339.370 4.535 0 40 EJAB Cc1ccc(SCC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1 223396831 VRSVQOQWSUWFHD-KRWDZBQOSA-N 327.493 4.890 0 40 EJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NC(C)(C)Cc1ccccc1 223842283 PVTAZSRYFOKSJG-GOSISDBHSA-N 345.870 4.635 0 40 EJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NC[C@H](C)c1ccccc1 224460208 SFPHTOUHFLNXDO-JTSKRJEESA-N 347.458 4.917 0 40 EJAB CCCCc1ccc(NC(=O)c2ccc(OCC)c(COC)c2)cc1 224689491 NWTRDMCZRDDTFQ-UHFFFAOYSA-N 341.451 4.827 0 40 EJAB O=C(CCc1ccc(Cl)cc1Cl)N1CCCc2ccccc21 225373469 ZVLPDDZVWRXVFD-UHFFFAOYSA-N 334.246 4.905 0 40 EJAB CC(C)c1ccc(NC(=S)N[C@@H](C)COc2ccccc2)cc1 225781408 NESDSMFBTCYUHS-HNNXBMFYSA-N 328.481 4.564 0 40 EJAB COc1cccc2cc(C(=O)NCc3ccc(-c4ccoc4)cc3)oc12 390830858 NXDRDVHUJFGULE-UHFFFAOYSA-N 347.370 4.631 0 40 EJAB CCOc1cccc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)c1 408560407 ZDRGGKOFRSJIFQ-KRWDZBQOSA-N 333.840 4.517 0 40 EJAB COc1ccc(NC(=O)C[C@@H](C(C)C)[C@H]2CCOC(C)(C)C2)cc1 491176 HKQAZWUSSIHYBS-YJBOKZPZSA-N 333.472 4.501 0 40 EJAB biogenic O=C1c2ccccc2N[C@@H](c2cccc(F)c2)N1c1ccccc1F 500667 VXGZLGZQDHXXFX-LJQANCHMSA-N 336.341 4.736 0 40 EJAB O=C(CSc1ccccc1)Nc1nc(-c2ccc(F)cc2)cs1 1392113 YONWNNFJWAMUPW-UHFFFAOYSA-N 344.436 4.680 0 40 EJAB O=C(CCC1CCCC1)Nc1nc2c(s1)CCc1ccccc1-2 3417122 WSVZKHKISNQKBG-UHFFFAOYSA-N 326.465 4.818 0 40 EJAB O=C(NCc1ccccc1)c1cc2sccc2n1Cc1ccccc1 4970883 VWBSRZCQGMJGDJ-UHFFFAOYSA-N 346.455 4.681 0 40 EJAB Cc1ccc2[nH]c(SCC(=O)Nc3ccc(C)c(Cl)c3)nc2c1 5357612 KNWUIZQGRKWDBK-UHFFFAOYSA-N 345.855 4.564 0 40 EJAB CCc1cc(=O)oc2c(C)c3c(cc12)CN(c1cc(C)cc(C)c1)CO3 5477984 NSMJLCGLTUTKSU-UHFFFAOYSA-N 349.430 4.637 0 40 EJAB Cc1ccc(C)c(-n2c(=S)[nH]c3sc4c(c3c2=O)CCCC4)c1 6016949 HYWGTXRBPGFFHU-UHFFFAOYSA-N 342.489 4.605 0 40 EJAB CCOc1ccc(NC(=O)C[C@@H](C)Cc2ccc(Cl)cc2)cc1 6727238 CZQKAWQCGGEOBC-AWEZNQCLSA-N 331.843 4.946 0 40 EJAB CC(C)c1ccccc1NC(=O)Cc1csc(-c2ccccn2)n1 14136815 QUBGNVXIDSWTDP-UHFFFAOYSA-N 337.448 4.510 0 40 EJAB O=C(NC(c1ccccc1)c1ccccc1)c1cccc2cccnc12 14170831 RXMOKWGKRFYDSA-UHFFFAOYSA-N 338.410 4.754 0 40 EJAB CC(C)c1ccc(CNc2ccc(OC[C@@H]3CCCO3)cc2)cc1 19738236 KCTIKNRQBBNLDS-NRFANRHFSA-N 325.452 4.980 0 40 EJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N[C@@H](CC)c1ccccc1 22513180 VKEBEGDJQWJNNA-PMACEKPBSA-N 325.452 4.728 0 40 EJAB O=C1C[C@H](c2ccc(OCc3ccccc3)cc2)Oc2ccccc21 28713594 GYMGZNBKAUIILO-JOCHJYFZSA-N 330.383 4.972 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2cc(C)ccc2C)c(C)c1 38754183 QONRLBASLJINDR-QZTJIDSGSA-N 325.452 4.565 0 40 EJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(OC)cc1 38756384 PJVQWZHPHUDWMT-LJQANCHMSA-N 335.403 4.645 0 40 EJAB O=C(O)Cc1ccccc1-c1nc2cc(-c3ccccc3)ccc2o1 41127396 IAVNOMVXTKAVJW-UHFFFAOYSA-N 329.355 4.789 0 40 EJAB O=C(N[C@H](c1ccccc1)C1CC1)N(Cc1ccc(F)cc1)C1CC1 58467232 JIZHAHFNLDHPLR-HXUWFJFHSA-N 338.426 4.651 0 40 EJAB O=C(NC1CCCCCCC1)c1ccccc1OCc1cscn1 61431109 WCOKZSUZOBWJMB-UHFFFAOYSA-N 344.480 4.565 0 40 EJAB O=C(NCc1ccccc1Cl)c1cc(-c2cccc(Cl)c2)no1 66089090 LFSMBURZCMEMAE-UHFFFAOYSA-N 347.201 4.578 0 40 EJAB CC(C)n1ccc2c(NC(=O)c3cn(C)c4ccccc34)cccc21 70666469 JYMFNQWQIPMTQF-UHFFFAOYSA-N 331.419 4.966 0 40 EJAB biogenic O=C(c1ccc(F)c(F)c1)N(CCc1cccs1)Cc1ccco1 75154757 JVFVZROTWAKNPW-UHFFFAOYSA-N 347.386 4.504 0 40 EJAB COc1ccccc1NC(=S)N1CCC[C@@H]1c1ccccc1Cl 83982597 URBNCTGPUMBAPJ-MRXNPFEDSA-N 346.883 4.883 0 40 EJAB O=C(c1ccccc1Cl)N1CCC(CSCc2ccco2)CC1 85472405 QXPNMZOPWHMVLJ-UHFFFAOYSA-N 349.883 4.719 0 40 EJAB C[C@@H](NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(C(F)(F)F)cc1 105651342 QWQOJISTYPHBJP-DHMWGJHJSA-N 325.374 4.709 0 40 EJAB Cc1ccc(OCC(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c(C(C)(C)C)c1 108883861 OWXUMEOFCLZJEU-OWSLCNJRSA-N 343.511 4.612 0 40 EJAB O=C(O)[C@@H](Cc1cc(Cl)cc(Cl)c1)Oc1ccccc1Cl 225090459 HYNQGIPDGLTZSD-CQSZACIVSA-N 345.609 4.722 0 40 EJAB CSc1cccc(NC(=O)CCCOc2ccc(Cl)cc2)c1 408705716 LXHWBDSUZUYWMS-UHFFFAOYSA-N 335.856 4.860 0 40 EJAB CC(=O)Nc1ccc(-c2csc(-c3c[nH]c4ccccc34)n2)cc1 103907 BQFPOGGYFJVAGU-UHFFFAOYSA-N 333.416 4.917 0 40 EJAB Cc1cccc(C(=O)Nc2c(-c3cccs3)nc3ccccn23)c1 201403 MUMXDOBRWZPKLC-UHFFFAOYSA-N 333.416 4.624 0 40 EJAB Cc1cc(C)c2[nH]c(=O)c(CNc3ccccc3C(F)(F)F)cc2c1 421243 BSIOUZOXDPWFDG-UHFFFAOYSA-N 346.352 4.776 0 40 EJAB CC[C@]1(C)C[C@](CCNCc2ccc(OC)cc2)(C(C)C)CCO1 2111060 IQRLISDRZDPFHJ-NHCUHLMSSA-N 333.516 4.796 0 40 EJAB biogenic O=C(Cc1ccc(Br)cc1)c1cccc(C(F)(F)F)c1 2393038 PWNWUZHCJWRAIH-UHFFFAOYSA-N 343.142 4.893 0 40 EJAB O=C(c1cccc(CN2CCCC2)c1)c1cc(Cl)ccc1Cl 2515086 GYGCGBWOCCHXSL-UHFFFAOYSA-N 334.246 4.820 0 40 EJAB Cc1ccn2c(-c3csc(NCc4ccccc4)n3)c(C)nc2c1 4095152 QLNGOMDFWHNADQ-UHFFFAOYSA-N 334.448 4.687 0 40 EJAB Cc1ccc(C2=Nc3ccc(F)cc3C(c3ccc(F)cc3)=NN2)cc1 4168667 WGICPCZGYISLOZ-UHFFFAOYSA-N 347.368 4.707 0 40 EJAB Cc1ccc(C)c(-c2csc(NC(=O)c3cccc(F)c3)n2)c1 6507460 DPRNEXKROBZEOA-UHFFFAOYSA-N 326.396 4.818 0 40 EJAB C[C@@H](Nc1ccc(Oc2ccccc2)cc1)C(=O)NCc1ccccc1 7224722 PTYGXVZAYXFHLG-QGZVFWFLSA-N 346.430 4.596 0 40 EJAB Cc1ccc(Nc2nc(COC(=O)C[C@H]3C=CCC3)cs2)cc1 7372850 GTJCRYRGLKZAQM-AWEZNQCLSA-N 328.437 4.595 0 40 EJAB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(N2CCCC2)cc1 7382738 GGJLHRZUWQRNSQ-UHFFFAOYSA-N 334.341 4.558 0 40 EJAB COc1cc(NC(=O)c2sc3cccc(F)c3c2C)cc(OC)c1 7667320 PXFLFIMRWWURMZ-UHFFFAOYSA-N 345.395 4.618 0 40 EJAB CCCCCC[C@H](O)C/C=C\CCCCCCCC(=O)OCCO 8602882 XLMXUUQMSMKFMH-ADYPVZHUSA-N 342.520 4.530 0 40 EJAB C[C@@H]1CCCC[C@H]1NC(=S)Nc1ccc(SC(F)F)cc1 8690049 ORCDWZCHRCYHIM-ZWNOBZJWSA-N 330.469 4.866 0 40 EJAB Cc1cccc(NC(=O)CCc2ncc(-c3ccc(F)cc3)o2)c1C 8750657 KQTWKQYXNBPQBP-UHFFFAOYSA-N 338.382 4.669 0 40 EJAB O=C(Nc1cccc(Cl)c1)Nc1nnc(-c2ccccc2)s1 8767821 ZDSMQGVCOPYPQB-UHFFFAOYSA-N 330.800 4.503 0 40 EJAB CC1(C)CC(NCc2ccc(-c3ccccc3)s2)CC(C)(C)N1 8936592 WZYZKWMLYOEPCL-UHFFFAOYSA-N 328.525 4.814 0 40 EJAB O=C(c1cccc(Cl)c1)N1CC=C(c2c[nH]c3ccccc23)CC1 11071523 PKZFZGVHTVHJCI-UHFFFAOYSA-N 336.822 4.751 0 40 EJAB Cc1ccc(Cc2cnc(NC(=O)CCC3CCCC3)s2)cc1 11690096 BLXVEZHBTYFIPN-UHFFFAOYSA-N 328.481 4.951 0 40 EJAB Cc1ccc(-c2cnc(CCC(=O)Nc3ccccc3F)o2)cc1C 12925944 DVDPUYSQNPDXNM-UHFFFAOYSA-N 338.382 4.669 0 40 EJAB Cc1ccc(-n2c(/C=C\c3ccc(N)cc3)nc3cc(N)ccc32)cc1 13403884 MRFCVQUZXHJVSS-MLPAPPSSSA-N 340.430 4.669 0 40 EJAB Cc1ccccc1OCC(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 13632648 JAXNTRABXBGQJI-INIZCTEOSA-N 325.452 4.549 0 40 EJAB Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccccc1 14257890 RYIQCWQVGFNISA-UHFFFAOYSA-N 327.387 4.791 0 40 EJAB CCOc1ccccc1NC(=S)NCC12CC3CC(CC(C3)C1)C2 16276273 GZCFLYAYMWDUTD-UHFFFAOYSA-N 344.524 4.588 0 40 EJAB O=C(Nc1nnc(C2CCCCC2)s1)Nc1ccccc1Cl 28225980 NZONDLMZTALMSV-UHFFFAOYSA-N 336.848 4.883 0 40 EJAB COc1ccc(CN(C(=O)c2ccccc2Cl)[C@H](C)C2CC2)cc1 58642508 PXFLQJFFOYMHAS-CQSZACIVSA-N 343.854 4.790 0 40 EJAB COc1ccccc1CC(=O)OC1c2ccccc2-c2ccccc21 58800131 AEVAGFBORLTFII-UHFFFAOYSA-N 330.383 4.551 0 40 EJAB CC1=C[C@H](C)[C@H](CNCCNC[C@@H]2[C@H](C)C=C(C)C[C@H]2C)[C@@H](C)C1 102673978 XPPZSKFTXPXUHK-DPJYLNSSSA-N 332.576 4.642 0 40 EJAB Cc1sc([C@H](C)NC2CCOCC2)nc1-c1ccc(Cl)cc1 168585131 CAUVUPVMZRENHZ-NSHDSACASA-N 336.888 4.602 0 40 EJAB CC[C@H](NC(=O)Cc1ccc(C)cc1C)c1ccc2c(c1)CCCC2 223133002 MARHNVIQLWHRPI-QFIPXVFZSA-N 335.491 4.992 0 40 EJAB CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc2c3c(cccc13)CC2 224420481 AMMNREONPKIRFH-HNNXBMFYSA-N 345.442 4.907 0 40 EJAB CC[C@H](NC(=O)COc1ccc2c(c1)CCCC2)c1ccc(C)cc1 224676573 OHZZEYLIIAEMGC-NRFANRHFSA-N 337.463 4.520 0 40 EJAB O=C(CCc1ccc(Cl)c(Cl)c1)NCc1ccc(Cl)cc1 225323591 OWQVRPPUDOJMNW-UHFFFAOYSA-N 342.653 4.896 0 40 EJAB O=C(CCc1ccc(Cl)c(Cl)c1)N1CCCc2ccccc21 225330894 FWBNOCXDRQNPDT-UHFFFAOYSA-N 334.246 4.905 0 40 EJAB O=C(Oc1ccc(Br)cc1Cl)c1ccc(Cl)cc1 504652 GTTWZHZSASTPBL-UHFFFAOYSA-N 346.007 4.975 0 40 EJAB Clc1ccc(-c2csc(NC[C@H]3CCCO3)n2)c(Cl)c1 3331445 CVTSHTKLJHDAGW-SNVBAGLBSA-N 329.252 4.708 0 40 EJAB COc1ccc2nc(Nc3nc4c(s3)C[C@@H](C)CC4)sc2c1 4137727 RMRUUBCNQNKVGB-VIFPVBQESA-N 331.466 4.630 0 40 EJAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nc2ccccc2o1 5034212 MDIJMLMDQUJOQP-GFCCVEGCSA-N 336.416 4.981 0 40 EJAB O=C(Nc1ccc(Cl)cc1)Nc1cccc(N2CCCCC2=O)c1 5441716 GITQTMUSSCJODF-UHFFFAOYSA-N 343.814 4.501 0 40 EJAB COc1ccc(C(C)(C)C)cc1NC(=O)COc1c(C)cccc1C 6790700 IHFAHCKALVDCJJ-UHFFFAOYSA-N 341.451 4.627 0 40 EJAB Cc1csc(N(C(=O)c2cc(F)cc(F)c2)c2ccccc2)n1 7688839 YQMLCZIZTOPUIV-UHFFFAOYSA-N 330.359 4.708 0 40 EJAB CC[C@@H](NC(=S)Nc1ccc(C)c(C)c1)c1ccc(OC)cc1 8085551 NHZIIIYKGGWXCH-GOSISDBHSA-N 328.481 4.750 0 40 EJAB COc1ccc(-c2csc(-c3cccc(OC)c3OC)n2)cc1 8129291 YXAXYTDCEOAMLQ-UHFFFAOYSA-N 327.405 4.503 0 40 EJAB Cc1ccccc1C(=O)Nc1nc2c(s1)C[C@H](C(C)(C)C)CC2 8586762 VRBKAVPBWIPIHK-CYBMUJFWSA-N 328.481 4.855 0 40 EJAB O=C(COc1ccccc1Cl)Nc1ccc2c3c(cccc13)CC2 9142031 CVPWVYYIMDXMBB-UHFFFAOYSA-N 337.806 4.609 0 40 EJAB Cc1ccccc1CNC(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 9758366 RVVUGFNGMPTNJG-GOSISDBHSA-N 328.843 4.599 0 40 EJAB CSc1ccc(CN(C)C(=O)c2ccc3c(c2)CCCC3)cc1 12816784 INWLYUVKIUHLIO-UHFFFAOYSA-N 325.477 4.560 0 40 EJAB O=C(Nc1ccc(-c2nccs2)cc1)c1cc(Cl)ccc1F 12871781 SHLBQFCNFOTVJY-UHFFFAOYSA-N 332.787 4.855 0 40 EJAB C[C@@H]1CNc2ccccc2N(Cc2c(Cl)cccc2Cl)C1=O 15838245 OMRUPCSNIIFGLJ-LLVKDONJSA-N 335.234 4.588 0 40 EJAB O=C(Nc1nc2c(ccc3ccccc32)s1)c1cc(Cl)ccn1 22571319 AIYDBPSSHZQOGM-UHFFFAOYSA-N 339.807 4.750 0 40 EJAB C[C@H](NCC1(c2ccccc2)CCCC1)c1nnc(-c2ccccc2)o1 25898274 WZJWIVXSBHYXNS-KRWDZBQOSA-N 347.462 4.899 0 40 EJAB CCCCCCNC(=O)c1cc(-c2cccnc2)nc2ccccc12 32091751 GJJDLNLIZXWCPH-UHFFFAOYSA-N 333.435 4.607 0 40 EJAB O=C(CCSC/C=C/c1ccccc1)NCc1ccccc1Cl 32778725 HKUKLKSVNHKRNJ-RMKNXTFCSA-N 345.895 4.793 0 40 EJAB OC1=Nc2c(ncn2-c2ccc(F)c(Cl)c2)[C@@H](c2ccsc2)C1 36353640 PDEFGXJEFJIIDC-LLVKDONJSA-N 347.802 4.850 0 40 EJAB COc1ccc2oc(Nc3nc4cc(Cl)ccc4s3)nc2c1 57352925 XGZLRINESXLOAP-UHFFFAOYSA-N 331.784 4.843 0 40 EJAB Cc1cc(C)cc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(C)c(C)c2)c1 59351227 OXJVVDPOIHNDGW-ROUUACIJSA-N 325.452 4.565 0 40 EJAB c1ccc2oc(Sc3nnc(NC4CCCCC4)s3)nc2c1 69455446 CPMNNYZDLDDHKS-UHFFFAOYSA-N 332.454 4.575 0 40 EJAB CC(C)(C)OC(=O)N(c1ncccc1C1=NCCC1)C1CCCCC1 72215723 RPEIEXZEFPSEHM-UHFFFAOYSA-N 343.471 4.739 0 40 EJAB Cc1ccc(C(F)(F)F)cc1NC(=O)c1ccc2ncccc2c1 74340126 YIBRVQNCOSVETL-UHFFFAOYSA-N 330.309 4.814 0 40 EJAB O=C(O)c1c2c(nc3ccccc13)/C(=C\c1ccc(O)cc1)CCC2 83326706 RBZGMDZGZGUXIP-OWBHPGMISA-N 331.371 4.516 0 40 EJAB Cc1cc([C@H](NCc2ccc([S@@](C)=O)cc2)C(C)C)c(C)s1 95409649 QYBANGOGCTVYKS-GCJKJVERSA-N 335.538 4.589 0 40 EJAB COc1ccccc1/C=C(/C(=O)Nc1cc(C)ccn1)c1ccccc1 95947827 HXPBPSSJPJNCBG-XDJHFCHBSA-N 344.414 4.578 0 40 EJAB O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccnc(F)c1 95957825 CSUCQCUSPDNALA-UHFFFAOYSA-N 349.390 4.750 0 40 EJAB Cc1noc(C)c1[C@H](C)NCc1cc(C(F)(F)F)ccc1Cl 95973525 WFRJWBAPWJUMKJ-QMMMGPOBSA-N 332.753 4.814 0 40 EJAB CC(C)N(C(=O)c1ccc2cc(Br)ccc2c1)C(C)C 96028332 QZZJRLCHOQUOLK-UHFFFAOYSA-N 334.257 4.861 0 40 EJAB Cc1cccc(OCC(=O)N[C@@H](CC(C)C)c2ccccc2)c1C 222819931 GEBUGRSFVPIXOF-IBGZPJMESA-N 325.452 4.586 0 40 EJAB Cc1ccc(SCCC(=O)N[C@H](C)c2ccc3c(c2)CCC3)cc1 223156393 UJJHVXYLCNFLMC-MRXNPFEDSA-N 339.504 4.843 0 40 EJAB CCCCc1ccc(NC(=O)c2ccc3c(c2)nc(CC)n3C)cc1 225897511 WRSYZOZISPRKEP-UHFFFAOYSA-N 335.451 4.731 0 40 EJAB Cc1ccc(O)cc1C(=O)N(C)C1c2ccccc2-c2ccccc21 1635045595 PVVUFZSKBJJRGY-UHFFFAOYSA-N 329.399 4.543 0 40 EJAB CCN(CC)c1ccc(C(=O)Nc2cccc(Br)c2)cc1 60761 PDZWGZWRCQAZCQ-UHFFFAOYSA-N 347.256 4.548 0 40 EJAB Cc1ccc(NC(=O)CSc2nc3ccccc3s2)c(C)c1 174766 QFQFIRMJJXJOHP-UHFFFAOYSA-N 328.462 4.644 0 40 EJAB CCSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCCC3 294937 SMXBXCYGUUFRRX-UHFFFAOYSA-N 348.537 4.954 0 40 EJAB C[C@H](COc1ccc(C(C)(C)C)cc1)OC(=O)Cc1ccccc1 1583832 BNHJDUAPNYLAGA-MRXNPFEDSA-N 326.436 4.537 0 40 EJAB C[C@@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)C1CC1 2625077 AOOVBRQJOILBFS-ZDUSSCGKSA-N 333.884 4.771 0 40 EJAB COc1ccc(NC(=O)Cc2c(Cl)cccc2Cl)cc1Cl 3472286 YSPNQBDSNPNWKF-UHFFFAOYSA-N 344.625 4.837 0 40 EJAB C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccccc1F 6065864 MZXNVOCHTZSQNU-HNNXBMFYSA-N 335.378 4.899 0 40 EJAB CCCC[C@]1(Cl)C(=O)c2ccccc2N(c2ccccc2)C1=O 6666669 NMJPAKMSCZGHHZ-IBGZPJMESA-N 327.811 4.715 0 40 EJAB O=C(/C=C/c1ccccc1)N1CCc2sccc2[C@@H]1c1ccccc1 9534269 FPRLPZDKCCCXAE-LEQVUBRHSA-N 345.467 4.936 0 40 EJAB O=C(Nc1ccc(Cl)cc1)N1CCC[C@H]1c1nc2ccccc2[nH]1 9610032 YGXZRONVEFRMEN-INIZCTEOSA-N 340.814 4.585 0 40 EJAB CCC[C@@H](C(=O)NCc1coc(-c2cccs2)n1)c1ccccc1 10869809 DEHVZFLTOQVBFD-MRXNPFEDSA-N 340.448 4.603 0 40 EJAB CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)C3CC3)c2)cc1 13628153 OZGDIEATTBVTRK-UHFFFAOYSA-N 336.435 4.585 0 40 EJAB Cc1cc(F)ccc1NC(=O)Cc1csc(-c2ccsc2)n1 14180594 ICZNTSDJYWNMCV-UHFFFAOYSA-N 332.425 4.500 0 40 EJAB CCc1ccc(O[C@H](C)C(=O)Nc2cccc3ccc(C)nc23)cc1 15835294 MEGHVUYAZMGPKW-OAHLLOKOSA-N 334.419 4.512 0 40 EJAB O=C(NCc1ccc(C(F)(F)F)cc1)c1cc(Cl)ccc1Cl 16301202 XDTIMKWUQVCCSY-UHFFFAOYSA-N 348.151 4.942 0 40 EJAB CCc1ccc(Nc2nn(-c3ccccc3)c3c2C(=O)C[C@H](C)C3)cc1 20671949 IDFFOGRFTBZYPR-OAHLLOKOSA-N 345.446 4.943 0 40 EJAB COc1ccc2cc([C@H](C)C(=O)NCc3sccc3C)ccc2c1 25717902 KVQUNMGOEROGAO-AWEZNQCLSA-N 339.460 4.638 0 40 EJAB Cc1ccc(CSCC(=O)N[C@@H](C)c2ccc(C)cc2C)cc1 38753559 LYRFVDDLGMSIKE-KRWDZBQOSA-N 327.493 4.722 0 40 EJAB CSc1ccc(-c2noc(-c3cc(-c4ccccc4C)n[nH]3)n2)cc1 57510998 IDFSCTKVPYYPIJ-UHFFFAOYSA-N 348.431 4.824 0 40 EJAB O=C(Nc1nc2cc(F)c(F)cc2s1)c1ccc(Cl)cc1F 58113210 PMBDYAIMHOSURG-UHFFFAOYSA-N 342.729 4.619 0 40 EJAB C[C@H](NC(=S)N[C@H]1CCc2c(Cl)cccc21)c1ccccc1 63790829 MAXCKAIDTGZYAL-SJCJKPOMSA-N 330.884 4.553 0 40 EJAB CC(C)n1ccc2c(NC(=O)c3ccc4c(ccn4C)c3)cccc21 70666537 FBLOHGGSWVDVKU-UHFFFAOYSA-N 331.419 4.966 0 40 EJAB biogenic CCN(c1ccccc1)S(=O)(=O)c1cc(Cl)c(Cl)cc1C 72414357 GFPGIIMZQQRWKY-UHFFFAOYSA-N 344.263 4.517 0 40 EJAB O=C(Nc1ccccc1N1CCCC1)[C@H]1C[C@H]1c1cccc(Cl)c1 84506021 ZDLWMMOJQWNNMU-IRXDYDNUSA-N 340.854 4.682 0 40 EJAB CCCn1c(CN2CCCCC[C@H]2c2ccncc2)nc2ccccc21 95453819 COXLPAPOEZUSPY-FQEVSTJZSA-N 348.494 4.959 0 40 EJAB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3CC[C@@]2(C)C1 118914901 MBXPDDMFPRWSTF-JAMPEYMFSA-N 346.511 4.920 0 40 EJAB CC[C@H](Oc1ccc(F)cc1)C(=O)N[C@@H](CC)c1ccc(C)cc1C 219328304 OEBQUHRLKNAHJR-PMACEKPBSA-N 343.442 4.867 0 40 EJAB Cc1cccc(CSCC(=O)Nc2ccc(OC(C)C)cc2)c1 222739124 PWIHULVKMTXMBA-UHFFFAOYSA-N 329.465 4.654 0 40 EJAB C[C@H](SCc1ccccc1)C(=O)NCc1ccc2ccccc2c1 222749234 WQCWJBSEHRZVBE-INIZCTEOSA-N 335.472 4.778 0 40 EJAB Cc1ccc([C@@H](NC(=O)CCc2ccc(F)cc2)c2ccccc2)cc1 223038783 JJOZKRSFIBUWMC-QHCPKHFHSA-N 347.433 4.973 0 40 EJAB Cc1cc(C)c([C@@H](C)NC(=O)[C@@H](C)Oc2ccccc2C)cc1C 223463500 XETMVZDTNBVHRZ-QZTJIDSGSA-N 325.452 4.565 0 40 EJAB CCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OCC)cc1Cl 225691184 ZHYJVYFKGFZHBQ-QGZVFWFLSA-N 327.852 4.519 0 40 EJAB CSc1cccc(NC(=O)COc2cc(C)ccc2C(C)C)c1 365082 RAFOMQJUFKZGEM-UHFFFAOYSA-N 329.465 4.858 0 40 EJAB CCN(CC)c1nc(-c2ccccc2)nnc1-c1ccc(Cl)cc1 2050005 RJTKPVQMTHUASO-UHFFFAOYSA-N 338.842 4.705 0 40 EJAB CC[C@]1(C)C[C@@](CCNCc2ccc(OC)cc2)(C(C)C)CCO1 2111063 IQRLISDRZDPFHJ-RTWAWAEBSA-N 333.516 4.796 0 40 EJAB biogenic O=C(COC(=O)CCC1CCCCC1)Nc1cccc2ccccc12 2632174 RGCDVIUUDRBGBE-UHFFFAOYSA-N 339.435 4.682 0 40 EJAB CCn1cc(C(=O)Nc2ccccc2Sc2ccccc2)c(C)n1 2765939 ZBZHSQRVSVOTFQ-UHFFFAOYSA-N 337.448 4.615 0 40 EJAB Cc1ccc(-c2nnc(OCc3cccnc3)c3ccccc23)cc1 4450101 NVTXVFVTHCGAGJ-UHFFFAOYSA-N 327.387 4.579 0 40 EJAB Cc1cc(C(=O)CSc2ccccn2)c(C)n1Cc1cccs1 5635776 LXKPDPITTKXEKX-UHFFFAOYSA-N 342.489 4.585 0 40 EJAB Cc1ccsc1[C@H]1CC(=O)Nc2[nH]nc(-c3ccc(Cl)cc3)c21 5885799 FCWWWWJAGQEPFF-LBPRGKRZSA-N 343.839 4.574 0 40 EJAB O=C(CCSc1ccccc1)NCc1ccc(Cl)cc1Cl 6434125 SJQKLXMIYNCICX-UHFFFAOYSA-N 340.275 4.792 0 40 EJAB c1ccc2c(c1)SCC[C@@H]2Nc1ncnc2sc3c(c12)CCC3 7006548 ITLSEYVYSHWDOX-ZDUSSCGKSA-N 339.489 4.829 0 40 EJAB C[C@@H](NC(=O)Cc1ccc2c(c1)CCC2)c1cccc(C(F)(F)F)c1 7990700 DYMNMQMGANVJAE-CYBMUJFWSA-N 347.380 4.614 0 40 EJAB Cc1c(NC(=O)C(F)(F)F)cccc1-c1nc2ccccc2s1 8053868 AAQXUVXMPBJCFP-UHFFFAOYSA-N 336.338 4.773 0 40 EJAB O=C(CSc1nnc(C2CC2)n1C1CC1)c1cccc2ccccc12 8428568 PNEKYYHZQHZEGE-UHFFFAOYSA-N 349.459 4.619 0 40 EJAB Cc1cc(-c2nn(-c3ccccc3)cc2C=O)ccc1OCC(C)C 8549228 KXMDRQZMLAJEIS-UHFFFAOYSA-N 334.419 4.695 0 40 EJAB CCCCCc1nnc(NC(=O)c2ccc(C(C)(C)C)cc2)s1 8743213 AJESFLIRIVZPCL-UHFFFAOYSA-N 331.485 4.821 0 40 EJAB Cc1cccc(CCCNC(=O)CSCc2ccccc2Cl)c1 10110621 FVQSTEXZLOJZRQ-UHFFFAOYSA-N 347.911 4.631 0 40 EJAB CCCCOc1ccccc1C(=O)Nc1nc2c(s1)C[C@H](C)CC2 11917358 NVKRFQYGRJYTMF-CYBMUJFWSA-N 344.480 4.699 0 40 EJAB O=C(/C=C/c1cccs1)Nc1ccc(N2CCCCCC2)cc1 12567155 DUQWCBGXTZLORH-VAWYXSNFSA-N 326.465 4.780 0 40 EJAB Cc1ccc(Cn2c(-c3ccccc3F)nc3ccccc3c2=O)cc1 20799340 LZOQWUPMEGXMKF-UHFFFAOYSA-N 344.389 4.559 0 40 EJAB CCCn1c(NC(=O)c2cc(C)n(C(C)C)c2C)nc2ccccc21 21597573 WFUGWXPCSRRXLM-UHFFFAOYSA-N 338.455 4.698 0 40 EJAB CCN(CC)C(=O)c1sc(-c2ccco2)nc1-c1ccccc1 40052279 HAQUPCQZYGQWOA-UHFFFAOYSA-N 326.421 4.552 0 40 EJAB CCSc1ccccc1NC(=O)[C@@H](C)Oc1cccc(Cl)c1 44900565 GBXGXANTUORKGZ-GFCCVEGCSA-N 335.856 4.858 0 40 EJAB O=C(c1cc2ccccc2s1)N(CC(F)(F)F)c1ccccn1 67655358 LGJHXTINOKPEJR-UHFFFAOYSA-N 336.338 4.505 0 40 EJAB CC(C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2C(C)C)cn1 72214857 XTBLHYOCGLBWKN-QGZVFWFLSA-N 347.503 4.777 0 40 EJAB Cc1oc(-c2cccs2)nc1C[S@@](=O)[C@H](C)c1ccccc1F 96404317 UMPMLQLGIQYYLN-SPSFWMDKSA-N 349.452 4.861 0 40 EJAB CC(C)=C[C@@H]1[C@@H](C(=O)N[C@H](c2ccccc2)c2ccncc2)C1(C)C 107488465 GJHNJNQPARNKHX-HSALFYBXSA-N 334.463 4.526 0 40 EJAB O=C1c2ccccc2C(=O)N1[C@H](Sc1ccccc1)c1ccccc1 145242700 SENNFJRKWDDTQW-OAQYLSRUSA-N 345.423 4.774 0 40 EJAB Cc1cc(Cl)ccc1NC(=O)[C@@H](C)Oc1cccc2c1CCCC2 224298311 JJYBEFIBNWYPMY-CQSZACIVSA-N 343.854 4.933 0 40 EJAB COc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1COCC(C)C 224448380 GJWMFFLAPCNHAW-UHFFFAOYSA-N 347.842 4.774 0 40 EJAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCc2ccccc2C)c1 224490368 VQBGFYBWOOZZHR-KRWDZBQOSA-N 325.452 4.511 0 40 EJAB O=C(Cc1ccc(Cl)cc1F)Nc1ccc(OC(F)(F)F)cc1 224894413 PPJZVXOCUFPKGD-UHFFFAOYSA-N 347.695 4.559 0 40 EJAB CC[C@@H](NC(=S)Nc1ccc(OC(C)C)cc1)c1ccccc1 225481483 PRPAQUAVIGOELW-GOSISDBHSA-N 328.481 4.912 0 40 EJAB Fc1cccc(F)c1NC(=S)NCCCc1ccccc1Cl 225540908 CKYKRCDNPKAQGZ-UHFFFAOYSA-N 340.826 4.537 0 40 EJAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1ccccc1F 225677600 PKEBAQZPADPGHA-INIZCTEOSA-N 344.455 4.723 0 40 EJAB CCCCc1ccc(NC(=O)c2snnc2-c2ccccc2)cc1 225760595 JAMCXSAGDZFBHF-UHFFFAOYSA-N 337.448 4.800 0 40 EJAB O=C(NCc1ccc(-c2ccoc2)cc1)c1c(F)cccc1Cl 390832438 ZMHWKCODBSRREX-UHFFFAOYSA-N 329.758 4.669 0 40 EJAB Fc1cncc(CSc2nnc(-c3ccc4ccccc4c3)o2)c1 530368491 VISHAYMFZBHMCN-UHFFFAOYSA-N 337.379 4.716 0 40 EJAB Cc1cc(NC(=O)c2ccc(C)c(C)c2Cl)n(-c2ccccc2)n1 543040591 JFKVAZDBDJAYHR-UHFFFAOYSA-N 339.826 4.703 0 40 EJAB COc1ccc2oc(=O)c(-c3ccc(Br)cc3)c(C)c2c1 57780 PIQLFKYAXQZJLI-UHFFFAOYSA-N 345.192 4.540 0 40 EJAB biogenic CN(C)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1 359600 NDPRGGGZTYMUPB-UHFFFAOYSA-N 330.840 4.873 0 40 EJAB COc1ccccc1CNc1nc(-c2ccc(F)c(F)c2)cs1 6928485 RTPKCVKOBZTPKH-UHFFFAOYSA-N 332.375 4.709 0 40 EJAB C[C@H](NC(=O)Cc1ccc2c(c1)CCC2)c1cccc(C(F)(F)F)c1 7990699 DYMNMQMGANVJAE-ZDUSSCGKSA-N 347.380 4.614 0 40 EJAB COc1ccc(C)cc1NC(=O)CSCc1cccc(Cl)c1 8082461 KDENLNSNHVANSJ-UHFFFAOYSA-N 335.856 4.529 0 40 EJAB Cc1csc(N2N=C(c3ccccc3)C[C@@H]2c2cccs2)n1 9304352 HNDWXPSCCXFNQH-OAHLLOKOSA-N 325.462 4.869 0 40 EJAB CCOc1cc2c(cc1/C=C/c1ccc3cccc(O)c3n1)O[C@H](C)C2 12549217 WYEUIHYRRUSHTG-QSYFUGGGSA-N 347.414 4.833 0 40 EJAB CCc1ccccc1NC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C 12818458 JBTUNXFUCMWZBM-UHFFFAOYSA-N 348.450 4.704 0 40 EJAB COc1ccc2c(c1)CCC1=C2CC[C@]2(C)C1=CCC[C@@H]2OC(C)=O 16321660 JDNDEPILENCXAF-FCHUYYIVSA-N 338.447 4.847 0 40 EJAB c1cnc2[nH]c([C@@H]3CCCO3)c(CN3CCC[C@H]4CCCC[C@@H]43)c2c1 19345173 KWOGBUGUEBNTRS-MNEFBYGVSA-N 339.483 4.569 0 40 EJAB CC[C@H](NC(=O)[C@H](C)Oc1ccccc1Cl)c1ccc(C)cc1 20483541 LJQRUZFQCATJAU-YOEHRIQHSA-N 331.843 4.683 0 40 EJAB CC[C@@H](NC(=S)Nc1cccc(Cl)c1)c1ccc(OC)cc1 20625051 KXEVUQBRJIKBLC-MRXNPFEDSA-N 334.872 4.786 0 40 EJAB COCc1cccc(NC(=O)CCSc2ccc(Cl)cc2)c1 26031732 RAJIRWPFRCFBEB-UHFFFAOYSA-N 335.856 4.607 0 40 EJAB O=C(Nc1cccc(OCc2ccccn2)c1)c1ccccc1Cl 31456274 AITZNOQFSGSBIK-UHFFFAOYSA-N 338.794 4.566 0 40 EJAB COc1ccc(NC(=O)N(C)[C@H](C)c2ccc(F)cc2)cc1Cl 40098696 LDKHPYXBNGEPAA-LLVKDONJSA-N 336.794 4.713 0 40 EJAB C[C@@H](Sc1ncc(-c2ccc(F)cc2)[nH]1)c1nc(C(C)(C)C)no1 48325631 VYMLFNDMZQXPTA-SNVBAGLBSA-N 346.431 4.750 0 40 EJAB Cc1ccc(C)c([C@H](C)NC(=O)[C@H](C)Oc2ccc(C)c(C)c2)c1 59351463 OTVIJUITKKKGLX-ROUUACIJSA-N 325.452 4.565 0 40 EJAB CC[C@@H](Oc1ccc(C)cc1)C(=O)N[C@H](C)c1ccc(C)cc1C 59351650 JJFXYNZMTVTFEL-YLJYHZDGSA-N 325.452 4.647 0 40 EJAB CCOCc1ccccc1NC(=O)c1ccc(Oc2ccncc2)cc1 72284651 HRIABYSNRCRGLA-UHFFFAOYSA-N 348.402 4.663 0 40 EJAB CCc1ccc([C@H](C)NC(=O)[C@H](CC)Oc2ccc(C)cc2)cc1 78458380 CAFJNDVVPRWQFQ-JXFKEZNVSA-N 325.452 4.592 0 40 EJAB CC[C@@H](N[C@@H](C)c1cnccn1)c1ccc(OC2CCCC2)cc1 95967880 JZVARWKCSFVUCT-HNAYVOBHSA-N 325.456 4.600 0 40 EJAB Cc1ccc(S[C@H](C)C(=O)NCc2ccc3ccccc3c2)cc1 222750430 YRVGFTQOWHGZJK-MRXNPFEDSA-N 335.472 4.945 0 40 EJAB CCOc1ccc(C(=O)NCCCc2cccc3ccccc23)cc1C 224587006 AVXOLQDSWBKDEN-UHFFFAOYSA-N 347.458 4.910 0 40 EJAB CCCCOc1ccc(NC(=O)C2(OCC)CCCCCC2)cc1 225710791 JAMCXTKWFNVBFV-UHFFFAOYSA-N 333.472 4.934 0 40 EJAB O=C(O)CCc1c(-c2ccccc2)[nH]c2c(Br)cccc12 585139534 UDQBWCIDLUPERI-UHFFFAOYSA-N 344.208 4.615 0 40 EJAB CCc1sc(-n2cccc2)nc1C(=O)Nc1ccc(F)c(Cl)c1 1565524284 HNGHAGJSXWSYNP-UHFFFAOYSA-N 349.818 4.541 0 40 EJAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(F)cc1F 196262 UGRMYQZXULWPAP-UHFFFAOYSA-N 348.736 4.834 0 40 EJAB O=C(COc1ccc(Cl)cc1)Nc1c(Cl)cccc1Cl 1096658 UBBOBCRISZLLRD-UHFFFAOYSA-N 330.598 4.664 0 40 EJAB Cc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccccc2C)c1 2771384 BZCHGZDITBPKSM-UHFFFAOYSA-N 344.414 4.808 0 40 EJAB Cc1cccc(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)c1C 3195072 RGBRAXNEJKIDSB-UHFFFAOYSA-N 329.399 4.787 0 40 EJAB O=C(c1ccco1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 4302261 ULJCZWDQKOAOPP-OAHLLOKOSA-N 340.766 4.518 0 40 EJAB C[C@@](O)(c1ccccc1)[C@H]1[C@H](c2ccccc2)N1Cc1ccccc1 4742972 XROUXDULVYPFKP-DVZSQSHLSA-N 329.443 4.520 0 40 EJAB CCOc1ccccc1NC(=O)c1ccc(-c2ccccc2F)o1 5001109 KROQJWKORSARGZ-UHFFFAOYSA-N 325.339 4.737 0 40 EJAB CC(C)(C)c1ccc(OCC(=O)N[C@@H]2CCCc3ccccc32)cc1 5471170 UVXAPZPKMYCJHN-HXUWFJFHSA-N 337.463 4.557 0 40 EJAB CC(C)c1ccccc1NC(=S)N(C)Cc1ccc(Cl)nc1 5977384 FIIBJZMDZMLOKZ-UHFFFAOYSA-N 333.888 4.687 0 40 EJAB O=C1c2ccccc2N[C@@H](c2cccc(Cl)c2Cl)N1C1CC1 7885965 DNBWFXRTTXVSJM-MRXNPFEDSA-N 333.218 4.722 0 40 EJAB COc1ccc(C)cc1NC(=O)c1cc(C(C)C)nc2ccccc12 8193669 ALOWEVHWSXGNCD-UHFFFAOYSA-N 334.419 4.928 0 40 EJAB O=C(NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)[C@@H]1CC=CCC1 10691243 IGYIAWKLXSLBBW-QUCCMNQESA-N 344.458 4.772 0 40 EJAB Cc1cc(C)c(NC(=O)c2cc(C3CC3)nc3onc(C)c23)c(C)c1 12769772 URYYYYXRXLSVBZ-UHFFFAOYSA-N 335.407 4.586 0 40 EJAB C[C@]12CC[C@H]3[C@@H](CC[C@@]4(C)CC5(CC[C@]34C)OCCO5)[C@@H]1CCC2=O 13398673 GOQSFMJREPWSEI-RZCQQDKOSA-N 346.511 4.731 0 40 EJAB biogenic CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccccc1Br 14013455 YVCJNSMZVMPHEZ-INIZCTEOSA-N 348.240 4.554 0 40 EJAB O=C(N[C@@H]1CCSc2ccc(F)cc21)c1cc2ccccc2o1 14242859 TUJXWZSBFSHCMU-CQSZACIVSA-N 327.380 4.539 0 40 EJAB CC(C)(C)[C@H]1CCc2c(sc3c2[C@@H](c2ccncc2)CC(=O)N3)C1 15106917 IGHQMEYQTKCAJX-DZGCQCFKSA-N 340.492 4.768 0 40 EJAB O=C(Nc1ccc(F)c(Cl)c1)c1cccnc1NC1CCCCC1 22072750 PNLVNEPWWDDRDA-UHFFFAOYSA-N 347.821 4.871 0 40 EJAB C[C@H](Nc1ccc(OC(F)(F)F)cc1)c1nnc(-c2ccccc2)o1 25213609 UURCNCSNKSZYML-NSHDSACASA-N 349.312 4.808 0 40 EJAB c1ccc(-c2ccc(NCC3OCc4ccccc4CO3)cc2)cc1 26896201 CGXPHBRUOZDBGB-UHFFFAOYSA-N 331.415 4.839 0 40 EJAB Cc1ccc(C(=O)CN(C2=NC(C)(C)CS2)c2ccccc2)cc1 27525219 UXHYJSNRWNIOOA-UHFFFAOYSA-N 338.476 4.566 0 40 EJAB Cc1ccc(-n2ccnc2S[C@@H](C)c2nc(C(C)C)no2)cc1C 27810930 GNMFHCBUHROLPI-AWEZNQCLSA-N 342.468 4.849 0 40 EJAB Cc1ccn(-c2ccc(NC(=O)c3ccc4[nH]c(C)c(C)c4c3)cc2)n1 28240025 TUHZVFGCIGDCOY-UHFFFAOYSA-N 344.418 4.531 0 40 EJAB CCSc1nnc(SCc2cccc(Br)c2)s1 32670066 DYCOVBBNFFSCPR-UHFFFAOYSA-N 347.328 4.705 0 40 EJAB C[C@@H](NC(=O)c1[nH]c2ccc(F)cc2c1Cl)c1ccccc1F 40144950 KZMUPJFFVQBSIF-SECBINFHSA-N 334.753 4.591 0 40 EJAB CCOC(=O)c1cc(Cl)c(OCc2ccccc2)c(Cl)c1 44200817 NKUXAJALKKVYQV-UHFFFAOYSA-N 325.191 4.749 0 40 EJAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1)c1ccc(C)cc1 59351781 NWKKVMWDHLLGNG-DNVCBOLYSA-N 345.870 4.992 0 40 EJAB CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc2cc[nH]c2c1 71844243 JWWIYNVVGDWQOE-FPOVZHCZSA-N 332.447 4.966 0 40 EJAB CC(C)c1cc(Br)c2oc(-c3ccc(N)cc3)nc2c1 73639071 SYFZUPQFOINTSB-UHFFFAOYSA-N 331.213 4.963 0 40 EJAB CC[C@@H]1c2ccsc2CCN1C(=O)Cn1cc(C)c2ccccc21 84736545 CPZKBXFGIAAZIG-QGZVFWFLSA-N 338.476 4.547 0 40 EJAB CC(=O)c1ccc(C(=O)Nc2ccccc2CCC(F)(F)F)cc1 89292189 MGJVDVYRCDMJNW-UHFFFAOYSA-N 335.325 4.636 0 40 EJAB COC(=O)c1cccc(NC(=O)CCc2cccc3ccccc23)c1C 222667126 PXSNSEFTODKJNQ-UHFFFAOYSA-N 347.414 4.506 0 40 EJAB CC[C@@H](NC(=O)CCc1ccccc1Cl)c1ccc(OC)c(C)c1 223386168 LCXAUSIFMBCBRF-GOSISDBHSA-N 345.870 4.857 0 40 EJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(F)cc1F 223581520 DPNLGIWBZIUZHO-LJQANCHMSA-N 345.389 4.640 0 40 EJAB Cc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)on2)cc1Cl 224066713 ZOVFUEDHQZKBMM-UHFFFAOYSA-N 330.746 4.695 0 40 EJAB CCCCOCc1cc(C(=O)Nc2ccccc2Cl)ccc1OC 224436334 HGVGCSCQILYRMU-UHFFFAOYSA-N 347.842 4.918 0 40 EJAB C[C@@H](CC(C)(C)c1ccccc1)NC(=S)Nc1cccc(F)c1 225659472 BVIPKCRNOCGYQS-AWEZNQCLSA-N 330.472 4.869 0 40 EJAB Cc1ccc(NC(=O)COc2cccc(C(F)(F)F)c2)cc1Cl 225810271 CJLGNBMLQFJJMZ-UHFFFAOYSA-N 343.732 4.685 0 40 EJAB CCS(=O)(=O)Nc1ccc(Oc2ccc(Cl)cc2Cl)cc1 226858996 QWYHYGWUQMOHRG-UHFFFAOYSA-N 346.235 4.547 0 40 EJAB O=C(CCCc1ccccc1)NCCc1ccc(-c2ccoc2)s1 390831668 UANLFUWDOFYVNP-UHFFFAOYSA-N 339.460 4.690 0 40 EJAB COc1ccccc1-c1nc(O)c2c3c(sc2n1)CCCCCC3 408988274 HMTXKYXYNBSRSS-UHFFFAOYSA-N 340.448 4.732 0 40 EJAB O=C1CS[C@H](c2cccc(Cl)c2Cl)N1C1CCCCC1 180037 LWHCGMNAHOBEJN-OAHLLOKOSA-N 330.280 4.900 0 40 EJAB C[C@H]1CCc2nc(NC(=O)c3cccc(C(F)(F)F)c3)sc2C1 180479 QVOVDPZVCIKAGT-VIFPVBQESA-N 340.370 4.539 0 40 EJAB Cc1cccc(-n2ncc3c(Nc4ccc(C(C)C)cc4)ncnc32)c1 426477 YHNSMJQWIJVKAC-UHFFFAOYSA-N 343.434 4.991 0 40 EJAB Cc1ccc(/C=C2/N=C(c3ccc(F)cc3)OC2=O)c2ccccc12 484266 MBBBDUJJBKBSCC-XDHOZWIPSA-N 331.346 4.632 0 40 EJAB CCOc1cccc2cc(-c3cc(=O)oc4cc(C)c(O)cc34)oc12 2130094 IJADVOANZWDTPI-UHFFFAOYSA-N 336.343 4.619 0 40 EJAB biogenic Cc1ccc(NC(=O)c2ccccc2-c2ccccc2C(=O)O)cc1 2702312 MFPNPSMSLMMAGU-UHFFFAOYSA-N 331.371 4.613 0 40 EJAB CCCCCC[C@@]1(CC)NC(=S)N(c2ccc(Cl)cc2)N1 2776218 ICNVXUYBYAAWAP-INIZCTEOSA-N 325.909 4.616 0 40 EJAB Cc1nc2c3ccccc3nc(SCc3ccccc3Cl)n2n1 2968895 VISLYYSMRLEQPI-UHFFFAOYSA-N 340.839 4.532 0 40 EJAB Cc1ccc(NC(=O)C(F)(F)Oc2cccc(C(F)(F)F)c2)cc1 3117003 DXIJENYEKYEOEK-UHFFFAOYSA-N 345.267 4.624 0 40 EJAB Fc1ccccc1CSc1nnc(NCc2ccccc2)s1 3490875 JNXPYYMGRVMLJM-UHFFFAOYSA-N 331.441 4.582 0 40 EJAB CCCCC(=O)Nc1ccc(-c2nc3cc(Cl)ccc3o2)c(O)c1 4141749 GGTWTETWUVVTCU-UHFFFAOYSA-N 344.798 4.983 0 40 EJAB COc1ccc(-n2cc(-c3ccccc3)c3c(=S)nc[nH]c32)cc1 5895406 NRJFIRUHTPVPEG-UHFFFAOYSA-N 333.416 4.759 0 40 EJAB O=C(c1ccc(OC(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1 6092751 IFWYIEORVOEKNA-UHFFFAOYSA-N 334.215 4.835 0 40 EJAB COc1cc2ccccc2cc1C(=O)Nc1ccc(F)c(F)c1F 6376367 LDJWUUFCPGKVSN-UHFFFAOYSA-N 331.293 4.518 0 40 EJAB O=C(OCC(=O)c1c[nH]c2ccccc12)c1cc(Cl)ccc1Cl 7735703 JZNFRIMCBGGSQG-UHFFFAOYSA-N 348.185 4.514 0 40 EJAB Cc1nnc(SCc2nc3ccccc3o2)n1C1CCCCC1 8186219 YVTCFZCXYQPFHF-UHFFFAOYSA-N 328.441 4.525 0 40 EJAB Cc1cc(C)cc(NC(=O)CCc2c(C)c3ccc(C)cc3oc2=O)c1 12782629 BACADPDERGSHBX-UHFFFAOYSA-N 349.430 4.598 0 40 EJAB Cc1cccc(NC(=O)c2cc(-c3cccs3)nc3onc(C)c23)c1 12884331 XZAZZBGZVHVRPZ-UHFFFAOYSA-N 349.415 4.820 0 40 EJAB Cc1ccc2c(c1)CCCN2CC(=O)Nc1cc(Cl)ccc1Cl 13056278 GYHVDRLEETWBRO-UHFFFAOYSA-N 349.261 4.693 0 40 EJAB CCCCCCn1c([C@@H](C)NC(=O)c2ccco2)nc2ccccc21 13115949 KZLPAAATSBKGPW-OAHLLOKOSA-N 339.439 4.701 0 40 EJAB CCCCCC(=O)Nc1ccc2nc(NC(=O)CCC)sc2c1 17068663 CFBKKYPIZCMITE-UHFFFAOYSA-N 333.457 4.554 0 40 EJAB O=C(Nc1ccc(N2CCCCC2)c(F)c1)c1ccc(Cl)cc1 21577786 VLBITQKDASOKMI-UHFFFAOYSA-N 332.806 4.722 0 40 EJAB CCC[C@@H](O)c1nc2ccccc2n1CCCOc1cccc(C)c1 21787618 SHXHREXKDLBYCJ-HXUWFJFHSA-N 338.451 4.647 0 40 EJAB Cc1ccc(C)c(NC(=O)Nc2cc(C)nn2Cc2ccccc2)c1 32647712 FGJTXASDOTYAGB-UHFFFAOYSA-N 334.423 4.501 0 40 EJAB Cc1ccc(C)c(NC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)c1 38833434 ZJIVXZDOLGKFBE-QGZVFWFLSA-N 336.479 4.788 0 40 EJAB CC(C)N(Cc1ccccc1)C(=O)c1cc(C2CC2)n(C(C)(C)C)n1 42712895 BNIYDLUYZCZNOZ-UHFFFAOYSA-N 339.483 4.566 0 40 EJAB CCN(CC)c1ccc(NC(=O)c2sc(C(C)C)nc2C)cc1 48249037 LJZQBVFCKDKDDN-UHFFFAOYSA-N 331.485 4.673 0 40 EJAB COc1cccc(CN(C)[C@@H](C)c2nc3ccccc3s2)c1OC 57503875 GFAZUXIDOWYSCT-ZDUSSCGKSA-N 342.464 4.507 0 40 EJAB O=C(Nc1cccc2ccccc12)N(Cc1ccc(O)cc1)CC1CC1 58282744 UAXPETIOWDLWSI-UHFFFAOYSA-N 346.430 4.990 0 40 EJAB CNc1nc2c(s1)[C@H](c1ccccc1OC1CCCC1)CC(O)=N2 61719152 HOZHQEXLLYRANV-ZDUSSCGKSA-N 343.452 4.630 0 40 EJAB O=C(c1ccccc1)N1CCC[C@@H]1c1ccc(Nc2ccccc2)nc1 72214085 ZXLDDBRFXVCMHO-HXUWFJFHSA-N 343.430 4.803 0 40 EJAB O=C(O)c1cc(-c2cccc(Br)c2)nc2c(F)cccc12 94613227 AONAJNHHHRKZDU-UHFFFAOYSA-N 346.155 4.502 0 40 EJAB in-vitro Cc1ccc(-c2nn3c(-c4oc5ccccc5c4C)nnc3s2)cc1 96194092 OXXMTFOSWBYZTA-UHFFFAOYSA-N 346.415 4.883 0 40 EJAB O=C(Nc1nc2ccccc2s1)C12CC3C[C@@H](CC[C@H](C3)C1)C2 101024407 UVVTYOSSRCQQEN-VZBZIDJMSA-N 326.465 4.841 0 40 EJAB CC[C@@H](NC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2)c1ccccc1 225544158 XJBCLOXJODHPDD-HRAATJIYSA-N 337.463 4.600 0 40 EJAB Cc1ccc(Cl)cc1NC(=O)c1snnc1-c1ccc(F)cc1 225779682 IQYREXZTSXXIJA-UHFFFAOYSA-N 347.802 4.558 0 40 EJAB Fc1ccccc1C[n+]1cccc(-c2nc3cc(Cl)ccc3o2)c1 226308017 AIBMGJAYOKJWHI-UHFFFAOYSA-N 339.777 4.623 0 40 EJAB Nc1cc(Br)c(NC2CCCCC2)c(Br)c1 226316872 VIJJOZANDJHVJK-UHFFFAOYSA-N 348.082 4.538 0 40 EJAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]4C[C@@H](C)C(=O)[C@@]4(C)CC[C@H]32)C1 253617405 KXXNUNSCEDGUDA-AAUSSFGXSA-N 346.511 4.776 0 40 EJAB O=C(c1csc(-c2ccccc2)n1)N1CC[C@H](c2ccsc2)C1 675008282 NWMCGWUGGOUPDM-AWEZNQCLSA-N 340.473 4.501 0 40 EJAB CC(C)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@H]2c2ccccc2)cc1 1663243143 HCNZCUIBQWNUFD-UZLBHIALSA-N 343.492 4.582 0 40 EJAB COC(OC)c1cnc2ccc(Cl)cc2c1-c1ccccc1F 1350862 KYEXIEZBPRGQDL-UHFFFAOYSA-N 331.774 4.986 0 40 EJAB O=C(NC(=S)Nc1cccc2ccccc12)c1cc2ccccc2o1 4090554 ROYWPVRQSVVGLR-UHFFFAOYSA-N 346.411 4.713 0 40 EJAB COc1c(C(=O)C=Cc2ccc(Cl)cc2)c(O)cc2occc12 4293415 KVPPJWSRECHASD-UHFFFAOYSA-N 328.751 4.697 0 40 EJAB biogenic CC(C)OCCCNC(=S)Nc1ccc(Nc2ccccc2)cc1 4702280 FKPPMQSGUHTPAP-UHFFFAOYSA-N 343.496 4.532 0 40 EJAB CCCOc1ccc(C(=O)Nc2ccc(OCC)cc2)cc1OCC 4715716 PPDHPOVQZLGOJN-UHFFFAOYSA-N 343.423 4.525 0 40 EJAB Cc1cc(NC(=O)Nc2c[nH]c3ccccc23)ccc1Br 5299987 MXYZBZCGCYYHQN-UHFFFAOYSA-N 344.212 4.883 0 40 EJAB C[C@H]1CCCCN1P(N1CCCC[C@@H]1C)N1CCCC[C@@H]1C 5328698 NVXFGRFIRYCPGA-BZSNNMDCSA-N 325.481 4.837 0 40 EJAB O=C(/C=C/c1ccccc1Cl)Nc1nc(-c2ccccn2)cs1 6345747 PFYOLAQTSUIJGG-CMDGGOBGSA-N 341.823 4.510 0 40 EJAB Cc1sc(NC(=O)CCc2ccccc2)nc1-c1ccc(F)cc1 6375790 ZAZBOZBFUMXDPH-UHFFFAOYSA-N 340.423 4.829 0 40 EJAB COc1ccc2oc(C(=O)Nc3cccc4cccnc34)c(C)c2c1 6649434 DXHQIFCFESCLLT-UHFFFAOYSA-N 332.359 4.550 0 40 EJAB Cc1ccc2c(CN[C@H]3CCCc4ccccc43)cc(=O)oc2c1C 6788265 JMQOLSOXOYNVQR-FQEVSTJZSA-N 333.431 4.577 0 40 EJAB CC(=O)c1ccccc1NC(=O)C(c1ccccc1)c1ccccc1 6790678 FVLRAELKDRLXKX-UHFFFAOYSA-N 329.399 4.660 0 40 EJAB Cc1cccc(Nc2nnc(SCCc3ccncc3)s2)c1C 7032653 FGWJWXYJOWVREP-UHFFFAOYSA-N 342.493 4.628 0 40 EJAB CCCCCCNCc1ccc(OCc2ccccc2)c(OC)c1 7261018 HPLIMJOHKCILRQ-UHFFFAOYSA-N 327.468 4.944 0 40 EJAB Cc1cc(CSc2ncnc3sc(-c4ccccc4)cc23)no1 7829436 NYOVUBOLCYENAD-UHFFFAOYSA-N 339.445 4.947 0 40 EJAB CCOc1cc(CNC2CC2)cc(Cl)c1OCc1ccccc1 8254059 QSVZKQRRMUWNCM-UHFFFAOYSA-N 331.843 4.570 0 40 EJAB Cc1ccc(CCCNC(=O)CSCc2cc(C)cc(C)c2)cc1 10110387 XQIDPWLFLORFKN-UHFFFAOYSA-N 341.520 4.594 0 40 EJAB CC(C)(C)c1ccc(O)c(NC(=O)c2ccc3ncsc3c2)c1 17360935 ANOLVZNLBNTXNL-UHFFFAOYSA-N 326.421 4.552 0 40 EJAB COc1ccc(-c2cc3c(OC)cc(OC)cc3nc2Cl)cc1 19721823 IXIABLMCIWHZBM-UHFFFAOYSA-N 329.783 4.581 0 40 EJAB COCCOc1ccc(NCCOc2ccc(C(C)(C)C)cc2)cc1 19738276 NNEPHBXOYUGMOV-UHFFFAOYSA-N 343.467 4.500 0 40 EJAB C[C@@H](NC(=O)c1ccccc1OCc1ccccc1)c1ccc(F)cc1 20106270 RLBZOUATMLERRF-MRXNPFEDSA-N 349.405 4.896 0 40 EJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N(C)Cc1ccccc1 20458774 QOEROJNLOFCBFF-QGZVFWFLSA-N 333.884 4.869 0 40 EJAB O=C(O)c1cccc2c1N[C@@H](c1ccccc1)[C@H](c1ccccc1)N2 22115704 CGCADNMILNKOBY-OALUTQOASA-N 330.387 4.705 0 40 EJAB CCCNc1cc(-c2ccccc2)nc2c(-c3ccccc3)cnn12 23115006 OPPFAMICTOAWKH-UHFFFAOYSA-N 328.419 4.885 0 40 EJAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(OC2CCCC2)cc1 31245355 NKSNUHUUFNCHEQ-CQSZACIVSA-N 343.398 4.553 0 40 EJAB COC(=O)c1ccccc1Nc1c(-c2cccs2)nc2ccccn12 35616099 HVAZZBAATUDTJT-UHFFFAOYSA-N 349.415 4.593 0 40 EJAB O=C(c1ccc(F)cc1)N1CCc2ccccc2[C@H]1c1ccccc1 36626615 QRODJDFCELCHQC-OAQYLSRUSA-N 331.390 4.614 0 40 EJAB CCOc1ccccc1NC(=O)N(C)[C@H](C)c1ccc(Cl)cc1 40098740 DEAJGIZDGJPTRT-CYBMUJFWSA-N 332.831 4.964 0 40 EJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)CCc1ccccc1 44840264 RPQABHXHYOSZPX-HNAYVOBHSA-N 345.870 4.635 0 40 EJAB COc1ccc2cc([C@@H](C)C(=O)Nc3cc(F)ccc3F)ccc2c1 47340139 HHBXXLKQWSFWDN-GFCCVEGCSA-N 341.357 4.869 0 40 EJAB c1ccc(Cc2nnc(CNc3ccccc3OC3CCCC3)o2)cc1 86201499 UARRTNXRDLHAGR-UHFFFAOYSA-N 349.434 4.594 0 40 EJAB Cc1coc(-c2ccc(C)c(NC(=O)N3C[C@@H]4CCCC[C@H]4C3)c2)n1 96471098 HYUYUXJUGHEQGV-IRXDYDNUSA-N 339.439 4.612 0 40 EJAB Cc1ccc(-c2ncc(CNc3ccnn3[C@H](C)C3CC3)s2)cc1 97002082 MAIRQKNLJIZIRY-CQSZACIVSA-N 338.480 4.898 0 40 EJAB Cc1ccc(C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)c(Cl)c1 225003574 DWEVVZMHERXSMW-MRXNPFEDSA-N 329.827 4.681 0 40 EJAB CCc1ccc(CC)c(CNC(=O)[C@H](CC)Oc2ccc(C)cc2)c1 225618089 NSAUUWHYYPLIGD-NRFANRHFSA-N 339.479 4.594 0 40 EJAB Cc1cc(C)cc(NC(=S)N[C@@H](C)COc2ccc(C)c(C)c2)c1 225788885 KJEWXOHVIMIZKV-KRWDZBQOSA-N 342.508 4.674 0 40 EJAB CCc1ccc(CC(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)cc1 225883762 YNSFFYOATCOHAM-IBGZPJMESA-N 337.463 4.519 0 40 EJAB COc1ccc(/C=C/C(=O)Oc2ccc(C(C)(C)C)cc2)c(OC)c1 147516 AKTSELPUFOJAQB-NTUHNPAUSA-N 340.419 4.620 0 40 EJAB Cc1cc(C)c2nc(C)cc(Nc3ccc(C(=O)N(C)C)cc3)c2c1 288009 KTVKPQKBBSCNPR-UHFFFAOYSA-N 333.435 4.605 0 40 EJAB CC(C)c1ccc(/C=C2\N=C(c3ccccc3Cl)OC2=O)cc1 315835 RCCGIJQKYUOOBY-BOPFTXTBSA-N 325.795 4.808 0 40 EJAB Cc1cccc(C)c1-n1c(-c2ccccc2)nc2ccccc2c1=O 538226 OSIGHNUUUSWURH-UHFFFAOYSA-N 326.399 4.670 0 40 EJAB CC(C)Cn1c(-c2cccc(Cl)c2)nc2nc3ccccc3nc21 544341 OMWWPPMNZULOGH-UHFFFAOYSA-N 336.826 4.956 0 40 EJAB Cc1ccccc1CN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O 975751 ALCBDBHPDXPZIO-YBEGLDIGSA-N 343.835 4.885 0 40 EJAB CSCc1cc(Sc2ccccc2)nc(-c2ccccn2)n1 1382554 RUXWZUFJJXOZKN-UHFFFAOYSA-N 325.462 4.553 0 40 EJAB CC(C)(C)c1ccc(/C=C2\N=C(c3ccccc3Cl)OC2=O)cc1 3068698 BVVMPWUAHDNMFQ-ATVHPVEESA-N 339.822 4.982 0 40 EJAB CCCCN1C(=O)c2ccccc2[C@H]1Sc1ccc(OC)cc1 4603297 PSOSDXRSDQFGNI-LJQANCHMSA-N 327.449 4.742 0 40 EJAB CSc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1 5222749 GSLOAAOADKQAEV-UHFFFAOYSA-N 344.436 4.923 0 40 EJAB CCCCCNc1cc(C)nc2c(-c3ccccc3OC)c(C)nn12 5350390 LHUHRGOKYNYOEM-UHFFFAOYSA-N 338.455 4.624 0 40 EJAB O=C(Nc1ccc(Br)cc1)c1ccc2c(c1)CCCC2 5403378 GGFTVGCCOZYECX-UHFFFAOYSA-N 330.225 4.580 0 40 EJAB Cc1ccc(-c2ccc(SCC(=O)c3cccs3)nn2)c(C)c1 5411101 DMLDWPHBBBMCGQ-UHFFFAOYSA-N 340.473 4.797 0 40 EJAB CC(=O)Nc1cccc(NC(=O)c2oc3c(Cl)cccc3c2C)c1 6214871 CHMOSHALSQAXMP-UHFFFAOYSA-N 342.782 4.605 0 40 EJAB CCOc1c(Cl)cc(C(=O)Nc2ccc(CC)cc2)cc1OC 6225335 FLVNYFWSTJVRJY-UHFFFAOYSA-N 333.815 4.562 0 40 EJAB Cc1ccc2cc3c(NC(=O)CC(C)C)nn(CC(C)C)c3nc2c1 9327879 ZIDBWNREMPNDBF-UHFFFAOYSA-N 338.455 4.534 0 40 EJAB CCOc1ccc([C@@H](C)NC(=O)c2ccc(C(F)(F)F)cc2)cc1 10977871 HIDOLAFXAJRLNY-GFCCVEGCSA-N 337.341 4.595 0 40 EJAB CC1(C)C[C@H]2C[C@](C)(CN2C(=O)CCCc2c[nH]c3ccccc23)C1 12891914 QPSXUQATDXZIHV-JTSKRJEESA-N 338.495 4.918 0 40 EJAB biogenic Fc1ccc(NC(=S)Nc2cccc(C(F)(F)F)c2)c(F)c1 13787428 XUKAGWGSDMIOGQ-UHFFFAOYSA-N 332.297 4.793 0 40 EJAB CCc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)cc1 14258414 UGGCYEXHYOGZCN-UHFFFAOYSA-N 344.414 4.754 0 40 EJAB CC(C)(C)[C@@H]1CCc2c(sc3c2[C@H](c2ccncc2)CC(=O)N3)C1 15106910 IGHQMEYQTKCAJX-HIFRSBDPSA-N 340.492 4.768 0 40 EJAB Cc1cc(NC(=O)c2ccc(Cl)cc2F)ccc1Br 15425608 SPLKBZBWOSQARD-UHFFFAOYSA-N 342.595 4.802 0 40 EJAB FC(F)(F)c1cc(-c2ccc(Cl)nn2)cc(C(F)(F)F)c1 16158982 ANCOCQICNFECRS-UHFFFAOYSA-N 326.627 4.835 0 40 EJAB Cc1ccc2cccc(NC(=O)COc3ccc(Cl)cc3C)c2n1 16348862 KSJUQXLORKRCSN-UHFFFAOYSA-N 340.810 4.523 0 40 EJAB COc1cccc(NC(=O)c2csc(-c3ccc(Cl)cc3)n2)c1 16505728 CUHLPWFMUXYVJV-UHFFFAOYSA-N 344.823 4.724 0 40 EJAB Cc1ccc(C)c(Nc2ncnc3c2cnn3-c2ccc(C)c(C)c2)c1 17026451 RKMFWCDUMFDOCN-UHFFFAOYSA-N 343.434 4.793 0 40 EJAB CCc1ccccc1Nc1nn(-c2ccc(F)cc2)c2c1C(=O)CCC2 20672149 IJVYGZGAWJDJLB-UHFFFAOYSA-N 349.409 4.836 0 40 EJAB Cn1ccnc1SCc1cc(-c2ccc(Cl)cc2Cl)no1 22187138 RQKKBUHYSFKCJB-UHFFFAOYSA-N 340.235 4.674 0 40 EJAB Cc1sc(-c2ccco2)nc1C(=O)Nc1cccc2cnccc12 30615010 QZEIHTPREWGRNU-UHFFFAOYSA-N 335.388 4.512 0 40 EJAB COc1ccc(Cl)cc1NC(=O)Nc1ccc(N2CCCC2)cc1 32610421 ZSEMWXAMDXOTKE-UHFFFAOYSA-N 345.830 4.593 0 40 EJAB O=C(NCc1ccc(F)cc1Cl)c1cc(Cl)ccc1Cl 34005748 WZDHSAZJWRUAQI-UHFFFAOYSA-N 332.589 4.716 0 40 EJAB COc1ccccc1NC(=O)c1cc(C)n([C@@H](C)c2ccccc2)c1C 40074773 OFYPQXXCUKGPQV-INIZCTEOSA-N 348.446 4.975 0 40 EJAB CC(C)(C)n1ncc2c1CCC[C@H]2NC(=O)c1ccc2ccccc2c1 40150202 CSJOWRSQPZWYQG-LJQANCHMSA-N 347.462 4.599 0 40 EJAB CCN1CCC(NCc2cccc(Oc3ccc(Cl)cc3)c2)CC1 57681659 VGWIILDNAVFSML-UHFFFAOYSA-N 344.886 4.706 0 40 EJAB Cc1ccc(C(=O)Nc2ccccc2NC(=O)c2cccs2)cc1 61997367 DQYIBGOTIUCURT-UHFFFAOYSA-N 336.416 4.561 0 40 EJAB Cc1ccc(NC(=O)Nc2cccc(C)c2NC(=O)C(C)C)cc1 66089525 KQOCDLNFEQUUIC-UHFFFAOYSA-N 325.412 4.542 0 40 EJAB Fc1ccc(-c2cnc(CN(CC3CCC3)CC(F)(F)F)o2)cc1 75104985 ZWWGDEQCTWLCNX-UHFFFAOYSA-N 342.336 4.645 0 40 EJAB C[C@@H](Sc1nnc(NC2CC2)s1)c1ccc(C(F)(F)F)cc1 78480865 RNQCXOGUVYKYFO-MRVPVSSYSA-N 345.415 4.985 0 40 EJAB COc1cc([C@H](C)NCc2cccc3cccnc23)ccc1SC 95421286 KDGWIXSNXLLTIC-AWEZNQCLSA-N 338.476 4.816 0 40 EJAB COCc1nc(CS[C@@H](C)c2ncc(-c3ccccc3)o2)cs1 97014843 AJMGWWBQOJEZOO-LBPRGKRZSA-N 346.477 4.939 0 40 EJAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCCSC1CCCCC1 222952546 CKDVLMLELIYUFE-GOSISDBHSA-N 349.540 4.643 0 40 EJAB C[C@H](NC(=S)Nc1ccc(Oc2ccccc2)nc1)c1ccccc1 223959185 DYQUEBJSMRKJLD-HNNXBMFYSA-N 349.459 4.922 0 40 EJAB COC1(C(=O)Nc2cc(C)c(OCC(C)C)c(C)c2)CCC(C)CC1 225641842 NFYGSPDOZWRFMM-UHFFFAOYSA-N 347.499 4.872 0 40 EJAB Cc1cc(C)nc(Nc2ccccc2C(=O)Nc2cccc(C)c2C)n1 225917363 XOFZTQQIWGDGSR-UHFFFAOYSA-N 346.434 4.706 0 40 EJAB Cc1ccc(C)c(-c2ccc(OC(=O)c3ccc(Cl)cc3)nn2)c1 408531675 WLHJVRZOAHFSHN-UHFFFAOYSA-N 338.794 4.633 0 40 EJAB Cc1ccc2nc([C@@H]3CCCN(C(=O)c4c(C)cccc4C)C3)[nH]c2c1 536455917 QQTMJPBZEFNCQF-QGZVFWFLSA-N 347.462 4.508 0 40 EJAB CC(C)c1cccc(C(=O)Nc2nc(-c3ccc(F)cc3)ns2)c1 1529667105 JCKVGJNDTNMEPA-UHFFFAOYSA-N 341.411 4.720 0 40 EJAB O=C(NC12CCC(c3ccccc3)(CC1)CC2)OCc1ccccc1 1772820906 WSKMCNDLBIAURR-UHFFFAOYSA-N 335.447 4.957 0 40 EJAB CCOc1ccc([C@H]2S[C@@H](C)C(=O)N2c2ccc(Cl)cc2)cc1 35030 NWFNFNKXVZAPCF-KPZWWZAWSA-N 347.867 4.906 0 40 EJAB O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1ccccc1F 70179 ZUXYBFBWSLYMIY-UHFFFAOYSA-N 332.334 4.886 0 40 EJAB COc1ccc([C@@H]2S[C@H](C)C(=O)N2c2ccc(Cl)cc2)cc1 70328 ZZUISRVPMLVLLR-DIFFPNOSSA-N 333.840 4.516 0 40 EJAB CCn1c(SCc2ccc(Cl)cc2)nnc1-c1ccc(O)cc1 422579 UNCSHCIIADOOCH-UHFFFAOYSA-N 345.855 4.616 0 40 EJAB COc1ccc(NC(=O)CSc2cc(Cl)ccc2Cl)cc1 1733030 BTUDIUJYYYLMFO-UHFFFAOYSA-N 342.247 4.733 0 40 EJAB C[C@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)C1CC1 2625078 AOOVBRQJOILBFS-CYBMUJFWSA-N 333.884 4.771 0 40 EJAB CCOC(=O)c1sc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1C 3231042 GZXYGXCKDABEDA-RMKNXTFCSA-N 349.839 4.539 0 40 EJAB CCCC[C@H]1OC[C@@]2(COC(=O)NC(C)C)[C@H](C)C=C(C)[C@@H]1[C@H]2C 4026800 CTQMHZOSXPTAQT-HGJKNBTDSA-N 337.504 4.545 0 40 EJAB COc1cc(OC)cc(C(=O)Nc2ccc3c(c2)oc2ccccc23)c1 4188101 CDLKNAAHKOHBFG-UHFFFAOYSA-N 347.370 4.856 0 40 EJAB O=c1nc2n(c3ccccc13)CC/C2=C\c1ccc(Cl)c(Cl)c1 5451524 KBZBSSYNRRNYIT-FMIVXFBMSA-N 343.213 4.648 0 40 EJAB COc1cccc(OC)c1OC(=O)Cc1ccc(-c2ccccc2)cc1 6302033 QEFYNLXOKMKCBS-UHFFFAOYSA-N 348.398 4.519 0 40 EJAB Cc1ccc2sc(NC(=O)c3ccc(OC(C)C)cc3)nc2c1C 6478557 IJEMFEFGUPKVHV-UHFFFAOYSA-N 340.448 4.953 0 40 EJAB COc1ccc(NC(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)cc1 7071512 WYHLGDOTSACGBV-AWEZNQCLSA-N 335.403 4.599 0 40 EJAB O=C(Cc1csc(-c2ccsc2)n1)Nc1cccc(Cl)c1 8007521 HZVRDDHZXSIIAC-UHFFFAOYSA-N 334.853 4.706 0 40 EJAB COc1cc2c(cc1NC(=O)CCc1ccco1)oc1ccccc12 8272751 JXRPCRZKLBRODJ-UHFFFAOYSA-N 335.359 4.759 0 40 EJAB Cc1cc(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)on1 8331921 DWXUVURFAIAKGF-UHFFFAOYSA-N 335.388 4.512 0 40 EJAB CCCCN(CC)Cc1c(C)nc2ccc(OCCC)cc2c1O 8717131 KAEOAHUUUMYENL-UHFFFAOYSA-N 330.472 4.660 0 40 EJAB O=C(Nc1onc2c1CCCC2)c1sc2ccccc2c1Cl 8976572 VMWALZREQRWXSL-UHFFFAOYSA-N 332.812 4.674 0 40 EJAB O=C(C1CCCCC1)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1 9833741 YMKMGLGWQOZEMX-OAQYLSRUSA-N 332.447 4.945 0 40 EJAB Cc1ccc(Nc2ncc3c(n2)C[C@H](c2ccc(C)cc2)CC3=O)cc1 10156572 AVGPSGDDMURDIT-KRWDZBQOSA-N 343.430 4.750 0 40 EJAB O=C(N[C@@H]1CCc2ccccc21)C(c1ccccc1)c1ccccc1 12946467 HLFJZROTZBJVDW-OAQYLSRUSA-N 327.427 4.622 0 40 EJAB CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2F)cc1 14256158 PJUKDHWEEQFPMK-UHFFFAOYSA-N 341.835 4.577 0 40 EJAB C[C@@H](SC/C=C/c1ccccc1)C(=O)Nc1ccc(F)c(F)c1 15493872 IGHWYDBSUYRWIL-OQHXTRMZSA-N 333.403 4.738 0 40 EJAB CCOC(=O)c1ccc(-c2ccc(Cl)cc2Br)o1 20160498 COJFQMRIQFACAJ-UHFFFAOYSA-N 329.577 4.539 0 40 EJAB Cc1ccc(NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)cc1C 20493044 MHPARQMMZMRWSC-INIZCTEOSA-N 336.479 4.788 0 40 EJAB CC(C)c1ccc([C@H]2CC(=O)c3cnn(-c4ccccc4)c3C2)cc1 20632662 WGVAOTYRJZVZKV-GOSISDBHSA-N 330.431 4.908 0 40 EJAB Cc1nc(S[C@H](C)C(=O)NC2CCCC2)n(C2CCCCC2)c1C 24932765 RUAPENYZCAINPD-OAHLLOKOSA-N 349.544 4.545 0 40 EJAB Cc1csc(NC(=O)c2ccc(CSc3ccccc3)o2)n1 28193709 KGPRJSKBFXIFGG-UHFFFAOYSA-N 330.434 4.589 0 40 EJAB Cc1ccn(-c2ccc(NC(=O)c3cc(Cl)ccc3Cl)cc2)n1 28303498 XHSGAXBXUZMSKC-UHFFFAOYSA-N 346.217 4.740 0 40 EJAB C[C@H](NC(=O)N[C@H]1CCCC[C@@H]1C)c1cccc(C(F)(F)F)c1 32863176 KINRCRIESHKJAH-HUBLWGQQSA-N 328.378 4.644 0 40 EJAB COc1ccc([C@H](C)NC(=O)CCc2ccc(C(C)(C)C)cc2)cc1 38756612 NSULODGZYQVOIM-INIZCTEOSA-N 339.479 4.803 0 40 EJAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(F)c(Cl)c1 44842249 ALDFNJYFFYUOOG-INIZCTEOSA-N 335.806 4.892 0 40 EJAB Cc1cc2cc(NC(=O)CCC(=O)c3ccc4c(c3)CCC4)ccc2[nH]1 48231550 ROFGLRSHJPXTKG-UHFFFAOYSA-N 346.430 4.567 0 40 EJAB O=C(/C=C/c1ccc(-c2ccccc2)o1)NC1C2CC3CC(C2)CC1C3 57316179 VKHFLWAIZFFTJY-VQHVLOKHSA-N 347.458 4.901 0 40 EJAB Cc1ccc(C)c([C@@H](C)NC(=O)[C@H](C)Oc2cccc(C)c2C)c1 59351470 FTRXGLZHLXYUDJ-MSOLQXFVSA-N 325.452 4.565 0 40 EJAB Cc1oc(-c2ccccc2)nc1C[S@](=O)C/C=C/c1ccccc1 69807333 VRNJLPPVXALICB-DDVUFSRBSA-N 337.444 4.612 0 40 EJAB Cc1cc(C(=O)Nc2cccc3c2ccn3C(C)C)c2c(C)noc2n1 71284467 YJRXFTMRXJKYQP-UHFFFAOYSA-N 348.406 4.628 0 40 EJAB CC(C)n1c(Cl)nc2cc(C(=O)N[C@H](C)c3ccccc3)ccc21 222543591 CCAPLLLFJBUVSN-CYBMUJFWSA-N 341.842 4.762 0 40 EJAB O=C(NCc1ccc(Cl)cc1Cl)c1cc(-c2ccccc2)on1 224063435 CYIJFMHALOFGDH-UHFFFAOYSA-N 347.201 4.578 0 40 EJAB CCOc1ccccc1-c1nnc(SCc2ccccc2)n1CC 408526498 CHKHQEHSYQNGNG-UHFFFAOYSA-N 339.464 4.656 0 40 EJAB C[C@H](NCCc1csc2ccccc12)c1nc2ccccc2n1C 538118254 ZWKYTGGZEKHUDK-AWEZNQCLSA-N 335.476 4.681 0 40 EJAB O=C(CCCCCn1cccc1)N[C@H]1CCCc2c1[nH]c1ccccc21 604419382 GTXMQYAOQHJOIQ-FQEVSTJZSA-N 349.478 4.724 0 40 EJAB CCCOc1ccc(CCC(=O)N2[C@H]3CC[C@H]2CC(=C2CC2)C3)cc1 618256993 OBVRYHOGBBIVSF-PMACEKPBSA-N 339.479 4.652 0 40 EJAB COc1ccc(OC)c(NC(=O)c2ccc(Oc3ccccc3)cc2)c1 364200 MOUKDXIZINMGFW-UHFFFAOYSA-N 349.386 4.748 0 40 EJAB COc1ccc(/C=C/C(=O)Nc2ccc3ccccc3c2)cc1OC 496562 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Cc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3)no2)cc1C 27583560 NQJXAAOMLMRKDZ-UHFFFAOYSA-N 326.783 4.864 0 40 EJAB c1ccc(-c2csc(SCc3noc(-c4ccco4)n3)n2)cc1 32908879 TZGWHHZFAQXARI-UHFFFAOYSA-N 341.417 4.745 0 40 EJAB Cc1cc2cc(NC(=O)c3ccc(Br)cc3F)ccc2[nH]1 40072681 ZIXKXOXBKXXDHJ-UHFFFAOYSA-N 347.187 4.630 0 40 EJAB Brc1ccccc1CSc1nncc2ccccc12 40160652 GDYHBDDQXZUOLZ-UHFFFAOYSA-N 331.238 4.685 0 40 EJAB CN(Cc1ccc(Cl)cc1)C(=O)COc1ccc(C(C)(C)C)cc1 44883966 BTMGAIXPLQPSJE-UHFFFAOYSA-N 345.870 4.675 0 40 EJAB CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2C)cn1 72214572 WEBMAXBFKCSLSH-KRWDZBQOSA-N 347.503 4.636 0 40 EJAB Cc1ccc(CCC(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 75284788 COLIYLGGKZIWHJ-UHFFFAOYSA-N 330.431 4.552 0 40 EJAB O=C(Nc1ccccc1Oc1cccc(F)c1)[C@@H]1C[C@H]1c1cccnc1 89814115 RTXDZRIFJNRCSE-ZWKOTPCHSA-N 348.377 4.755 0 40 EJAB Cc1ccc(C)c(NC(=O)c2c(C(F)(F)F)ccnc2Cl)c1 95939756 LWYFQVQGGHMMRC-UHFFFAOYSA-N 328.721 4.623 0 40 EJAB CC(C)Cn1ccnc1CN[C@H](C)c1ccc(OC(C)(C)C)cc1 95943442 BWKVSXJAFUBJRM-MRXNPFEDSA-N 329.488 4.567 0 40 EJAB CCN(C(=O)/C=C(\C)C1CC1)[C@H](c1ccc(F)cc1)c1cccnc1 96190155 RMWAVGQKBKQYRK-UACNQURRSA-N 338.426 4.515 0 40 EJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](C)c1ccccc1 216119041 JYCAEWDUHQOXFY-IIBYNOLFSA-N 333.431 4.875 0 40 EJAB COC(=O)/C=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 216895833 UKEFOWAGYRESNX-SOFGYWHQSA-N 337.202 4.759 0 40 EJAB CCc1ccc(CC(=O)N[C@H](CC)c2ccc3c(c2)CCCC3)cc1 223135556 CHIJJSXZRIDGRM-JOCHJYFZSA-N 335.491 4.938 0 40 EJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N1c2ccccc2C[C@@H]1C 225488127 NBJDIXGVDXSWAI-KSFYIVLOSA-N 349.474 4.701 0 40 EJAB CC1(C)C[C@H](NC(=S)Nc2ccccc2Cl)c2ccccc2O1 225575333 XKYGTPIUMIBTQD-HNNXBMFYSA-N 346.883 4.929 0 40 EJAB COC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OC(C)C)cc1 225614564 WABGRUIHGSGOFQ-UHFFFAOYSA-N 335.488 4.890 0 40 EJAB Cc1ccccc1OC[C@H](C)NC(=S)Nc1ccc(C(C)C)cc1 225634435 LACSCCXKDYMRQL-INIZCTEOSA-N 342.508 4.872 0 40 EJAB COc1ccc2c(-c3cc4cc(Cl)ccc4o3)cc(=O)oc2c1 2129293 AJIQILUITLDOSL-UHFFFAOYSA-N 326.735 4.868 0 40 EJAB biogenic C[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccccc2Cl)N3)C1 2492887 PUGTXTOXWGPIBZ-VFZGTOFNSA-N 332.856 4.955 0 40 EJAB Cc1sc(NC(=O)/C=C/c2cccs2)nc1-c1ccccc1 2737121 RZJXSIMXKQTJQB-MDZDMXLPSA-N 326.446 4.832 0 40 EJAB Cc1cc(Cl)ccc1NC(=O)/C=C/c1ccc(Br)o1 3169463 LOZXXSAGWLSXMD-QPJJXVBHSA-N 340.604 4.656 0 40 EJAB O=C(Nc1nc2ccc(F)cc2s1)c1cccc(C(F)(F)F)c1 4077598 IZGIOHMVGNKLPB-UHFFFAOYSA-N 340.301 4.707 0 40 EJAB Cc1ccccc1NC(=S)N(Cc1ccccc1)CC(F)(F)F 7379682 MXUMZPBLKPKURQ-UHFFFAOYSA-N 338.398 4.756 0 40 EJAB Fc1ccc(-c2cc3ncnc(NCc4ccccn4)c3s2)cc1 9672590 RTXSOSUYQWVZCC-UHFFFAOYSA-N 336.395 4.505 0 40 EJAB Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccco2)cc1 10215067 DJGIUXRWXUKZFI-WIYYLYMNSA-N 330.387 4.830 0 40 EJAB Clc1ccc(C2(NCc3ccccc3-n3cccn3)CCC2)cc1 12361803 SIBKIFVQGQRMPT-UHFFFAOYSA-N 337.854 4.695 0 40 EJAB O=C(NCC1CC1)c1cccc(Oc2cccc(C(F)(F)F)c2)c1 22972007 IBZSGEINIMFUPT-UHFFFAOYSA-N 335.325 4.638 0 40 EJAB CC(=O)Nc1cccc(NC(=O)c2cc3c(F)cccc3s2)c1C 22993720 RVSLHLMAJJUFOF-UHFFFAOYSA-N 342.395 4.560 0 40 EJAB CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ccc3ccccc3c2)C1 26898204 FQADORSLRBRGDM-GOSISDBHSA-N 326.440 4.651 0 40 EJAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1nc2ccc(C)cc2s1 27740751 ZMNHLLXDZQSKSX-CQSZACIVSA-N 344.411 4.540 0 40 EJAB Cc1cccc(Cn2nc(C)c(NC(=O)c3ccc(C)c(C)c3)c2C)c1 32609709 KKCQFNLMFJOZRL-UHFFFAOYSA-N 347.462 4.726 0 40 EJAB O=C1NC(=O)/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)S1 32929311 LINLFOKYKLOFSG-WDZFZDKYSA-N 340.187 4.577 0 40 EJAB O=C(CSCc1ccc(Cl)c(Cl)c1)NC1CCCCC1 38772815 HSHXADVLJNVPMZ-UHFFFAOYSA-N 332.296 4.676 0 40 EJAB Cc1[nH]c2c(C(=O)N(C)Cc3ccc([C@H]4C[C@@H]4C)o3)cccc2c1C 65537271 GTHHBUBZKSBMQU-SGTLLEGYSA-N 336.435 4.773 0 40 EJAB Cc1csc(Nc2ccc(NC(=O)c3ccc[nH]c3=S)cc2)n1 69815059 SMHYJCWXFZOHIB-UHFFFAOYSA-N 342.449 4.505 0 40 EJAB C[C@@H](NCc1cnn(C(C)(C)C)c1)c1nc(-c2ccccc2)cs1 72271303 NMUOIYOSPNBQHQ-CQSZACIVSA-N 340.496 4.612 0 40 EJAB Cc1nc(C(=O)Nc2cccc(CO[C@H]3CCC[C@H](C)C3)c2)cs1 84272001 UNAYUGMZJJQLJR-GUYCJALGSA-N 344.480 4.799 0 40 EJAB O=C(c1ccco1)N1N=C(c2ccsc2)C[C@H]1c1ccc(Cl)o1 95116087 LAYLUVQGYWKSQM-LBPRGKRZSA-N 346.795 4.579 0 40 EJAB COC[C@](C)(NCc1csc(-c2ccsc2)n1)c1ccccc1 95985807 AVWBGKKSLINIIQ-SFHVURJKSA-N 344.505 4.523 0 40 EJAB Cc1nc(-c2ccsc2)ccc1C(=O)Nc1ccc(F)c(F)c1F 101806953 JXIIPDMCGYEEHF-UHFFFAOYSA-N 348.349 4.788 0 40 EJAB Cc1cc(C)cc(O[C@H](C)C(=O)N[C@@H](CC(C)C)c2ccccc2)c1 219546601 KZFUDYAODAFRPD-NQIIRXRSSA-N 339.479 4.974 0 40 EJAB COc1ccc(NC(=S)NC2(c3cccs3)CCCC2)cc1 225847445 TZAXFZUWNJWKEN-UHFFFAOYSA-N 332.494 4.513 0 40 EJAB O=C(NCc1ccc(-c2ccoc2)nc1)c1ccc(Cl)cc1Cl 390830341 KJICBSBRVLCSGA-UHFFFAOYSA-N 347.201 4.578 0 40 EJAB CCCOc1cccc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)c1 408557817 OXSIMPPNSSNSPE-GOSISDBHSA-N 347.867 4.907 0 40 EJAB CC(C)(C)[C@@H](NC(=O)c1scnc1C1CCCC1)C(F)(F)F 546069663 KJEZSGARGDLLBW-CYBMUJFWSA-N 334.407 4.508 0 40 EJAB CCCn1c([C@@H]2CC(=O)N(c3cccc(C)c3C)C2)nc2ccccc21 252240 MBZQABGMESUSND-QGZVFWFLSA-N 347.462 4.584 0 40 EJAB COc1ccccc1NC(=O)c1sc(Cl)nc1-c1ccccc1 385378 YLXUDJWUTUZNLF-UHFFFAOYSA-N 344.823 4.724 0 40 EJAB Cc1ccn2c(NC[C@@H]3CCCO3)c(-c3ccc(Cl)cc3)nc2c1 417332 ONUKXBFBHGHIGZ-INIZCTEOSA-N 341.842 4.554 0 40 EJAB CC(C)COc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 479429 ABAOTCBCAUJIQT-UHFFFAOYSA-N 337.341 4.993 0 40 EJAB CC1(C)COC(CCCCC(=O)c2cc(F)c(Cl)cc2F)OC1 2518176 KVPVGRCEJJGFBE-UHFFFAOYSA-N 346.801 4.760 0 40 EJAB O=c1oc2cc(OCCCc3ccccc3)ccc2c2c1CCCC2 2888454 LNMYQQBJWBVPHT-UHFFFAOYSA-N 334.415 4.683 0 40 EJAB CCc1ccc(/C=C2\CCn3c2nc2cc(Cl)ccc2c3=O)cc1 5127544 IGKABILJKJFAOY-RVDMUPIBSA-N 336.822 4.557 0 40 EJAB Cc1cccc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c1 5598830 VKRRLEQQPSSSJB-UHFFFAOYSA-N 339.416 4.588 0 40 EJAB Cc1ccc(OCc2ccc(C(=O)Oc3ccc(C=O)cc3)cc2)cc1 6479747 QRLROAPIAILQKK-UHFFFAOYSA-N 346.382 4.606 0 40 EJAB O=C(Cc1csc(-c2ccccc2Cl)n1)Oc1ccccc1 6551345 PKANTBQORBZSIV-UHFFFAOYSA-N 329.808 4.612 0 40 EJAB O=C(COc1ccccc1-c1ccccc1)NCCC1=CCCCC1 6784497 RXMZIXGQWYKYKY-UHFFFAOYSA-N 335.447 4.739 0 40 EJAB CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc(Cl)cc1Cl 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Cc1cc(O[C@@H](C)C(=O)NC[C@H](C)c2ccccc2)cc(C)c1Cl 224138354 PLVSTETUULDYJU-HOTGVXAUSA-N 345.870 4.644 0 40 EJAB Cc1cc(C)c(C)c(O[C@H](Cc2cccc3ccccc23)C(=O)O)c1 225049130 ZPLZUHSKZWNXDA-OAQYLSRUSA-N 334.415 4.840 0 40 EJAB CCCOC(=O)c1ccc(Nc2cccc(C(F)(F)F)c2)c(N)c1 225429070 GKJOWMLZPVTHSE-UHFFFAOYSA-N 338.329 4.598 0 40 EJAB CCCOC1(C(=O)Nc2cc(C)c(OC)c(C)c2)CCC(C)CC1 225669835 MRUIIAVBCNNMSJ-UHFFFAOYSA-N 333.472 4.626 0 40 EJAB CCc1ccc(-c2nc3cc(NC(=O)C(F)(F)F)cc(C)c3o2)cc1 226269461 ZTTSTUGXVMKPHT-UHFFFAOYSA-N 348.324 4.866 0 40 EJAB C[C@H](Nc1ccc(NC(=O)[C@H](C)c2ccccn2)cc1)c1ccccc1 252481672 CQFDISYUTQWOHM-SJORKVTESA-N 345.446 4.997 0 40 EJAB Clc1cccc([C@@H]2CCN(Cc3cc(-n4ccnc4)cs3)C2)c1 552317027 ZARBPLYJYILPIZ-OAHLLOKOSA-N 343.883 4.577 0 40 EJAB O=C(Nc1cccc2ccccc12)c1ccccc1Br 225734 ULEKQHYKVSCTIT-UHFFFAOYSA-N 326.193 4.855 0 40 EJAB Cc1cc(C)c(NC(=O)COc2ccc(Cl)cc2Cl)c(C)c1 258962 HCDSFVBTZWTMPZ-UHFFFAOYSA-N 338.234 4.936 0 40 EJAB O=C(CCc1ccccc1)Nc1cc(Cl)ccc1C(F)(F)F 363807 UMBDXZUZSOSCCG-UHFFFAOYSA-N 327.733 4.930 0 40 EJAB Cc1cccc(C(=O)Oc2ccccc2OC(=O)c2cccc(C)c2)c1 383631 SHEMVNINUQUWOM-UHFFFAOYSA-N 346.382 4.742 0 40 EJAB Cc1cc2ccccc2n1CCNC(=O)c1ccc(Cl)cc1Cl 427887 HKBCETRYZGAXKJ-UHFFFAOYSA-N 347.245 4.687 0 40 EJAB Cc1ccc(-c2csc(N(C)C(=O)c3cccc(F)c3)n2)cc1 932644 MBVPLTCUDPHUPW-UHFFFAOYSA-N 326.396 4.534 0 40 EJAB Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)cc1C 1439824 OQFRJAKKKQLWSD-UHFFFAOYSA-N 344.414 4.808 0 40 EJAB Cc1cc(Cl)ccc1OCCCC(=O)N1CCCc2ccccc21 2080196 IGNMXUGQHJGRQL-UHFFFAOYSA-N 343.854 4.787 0 40 EJAB COc1ccccc1/C=C/C(=O)Nc1ccccc1Cc1ccccc1 3281803 LMMLABZWJKSGHM-FOCLMDBBSA-N 343.426 4.938 0 40 EJAB Cc1ccc(CC(=O)Nc2cc(Cl)ccc2N2CCCC2)cc1C 3340527 WLJNFDJAFXEICW-UHFFFAOYSA-N 342.870 4.738 0 40 EJAB O=C(Nc1nc(C(F)(F)F)c(-c2ccccc2)s1)c1ccco1 4728030 NMPKAAMAJVUXBQ-UHFFFAOYSA-N 338.310 4.674 0 40 EJAB CCC(=O)c1ccc2c(c1)N([C@H](C)CN(C)C)c1ccccc1S2 5837011 DHNARGHLEOUOQR-CQSZACIVSA-N 340.492 4.832 0 40 EJAB O=C(c1ccc2c(c1)CCC2)N1CCC[C@H]1c1nc2ccccc2s1 7777666 VXDKFUSMXPPHSM-SFHVURJKSA-N 348.471 4.762 0 40 EJAB COc1ccc(NC(=O)CSc2cc3cc(Cl)ccc3o2)cc1 10231853 QUCDPMCRIDSTLR-UHFFFAOYSA-N 347.823 4.826 0 40 EJAB O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)c1cccs1 16180523 STDBPRXNUJOZNV-UHFFFAOYSA-N 327.380 4.610 0 40 EJAB COc1ccc(C(C)=O)cc1CN(C)CC12CC3CC(CC(C3)C1)C2 16439005 JNOHKBALKQJYFU-UHFFFAOYSA-N 341.495 4.546 0 40 EJAB O=C(Cc1ccc(Cl)cc1)Nc1ccc(N2CCCCC2)c(F)c1 21577924 CHYDXGRBHDCFMF-UHFFFAOYSA-N 346.833 4.651 0 40 EJAB COc1ccc(Nc2nc(-c3ccsc3)nc3ccccc23)cc1O 24094159 BUEJGLICLBVYFF-UHFFFAOYSA-N 349.415 4.816 0 40 EJAB Cc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3C)no2)cc1 27581277 OONHXJXNBYQZII-UHFFFAOYSA-N 326.783 4.864 0 40 EJAB CC1(C)C[C@@](CCNCc2ccco2)(c2ccc(Cl)cc2)CCO1 32072991 QOIAKYBHRQRYHO-FQEVSTJZSA-N 347.886 4.940 0 40 EJAB CSCc1csc(NC(=O)Nc2ccccc2C(F)(F)F)n1 38486293 ZESARDQOUCFRBL-UHFFFAOYSA-N 347.387 4.669 0 40 EJAB O=C(Nc1ccccc1C(F)(F)F)N1CC[C@H](c2ccccc2)C1 38567374 KKGYFBBRGGQCTN-AWEZNQCLSA-N 334.341 4.727 0 40 EJAB O=C(Nc1ccc(C(F)(F)F)cc1)N1CC[C@@H](c2ccccc2)C1 38935620 FKLFJYDSPLAQEA-CQSZACIVSA-N 334.341 4.727 0 40 EJAB Cc1ccc(NC(=O)CNC(c2ccccc2)c2ccccc2)c(C)c1 54531215 ZEZZCKBEJABUKI-UHFFFAOYSA-N 344.458 4.621 0 40 EJAB Cc1ccc2nc(C)c(C(=O)N3CCCc4ccc(F)cc43)cc2c1 58419337 ZADZKVADUXLZSC-UHFFFAOYSA-N 334.394 4.584 0 40 EJAB CC(=O)Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)cc1 59477526 NZRVAHZFLNRYHZ-WYMLVPIESA-N 346.386 4.557 0 40 EJAB O=C(Nc1ccc(NCc2ccccn2)cc1)c1ccc(Cl)s1 69424762 HCNODCAJSMPMPJ-UHFFFAOYSA-N 343.839 4.661 0 40 EJAB CCc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)cc1 78457993 KTRXXPZFYNENKG-DLBZAZTESA-N 325.452 4.511 0 40 EJAB Cc1ccc(C)c(O[C@@H](C)C(=O)N[C@H](C)c2ccc(C)c(C)c2)c1 219073509 DQVWHBUUPRTCAY-MSOLQXFVSA-N 325.452 4.565 0 40 EJAB CCc1ccc(CC)c(CNC(=O)[C@@H](C)Oc2cc(C)ccc2C)c1 222936753 YMFRLKWPALDDBM-QGZVFWFLSA-N 339.479 4.512 0 40 EJAB CCN(Cc1ccccc1)C(=O)[C@H](C)Oc1cc(C)ccc1C(C)C 223088984 XYIGNNBRYSMEFW-SFHVURJKSA-N 339.479 4.934 0 40 EJAB CCCC[C@@H](CC)CNC(=O)[C@@H](C)Oc1cccc2ccccc12 224287294 FNCDBQXUDCKGAT-IAGOWNOFSA-N 327.468 4.940 0 40 EJAB COc1ccc(CCC(=O)Nc2ccc3c4c(cccc24)CC3)cc1C 225199848 CMKGMVSERTWGKL-UHFFFAOYSA-N 345.442 4.827 0 40 EJAB Nc1ccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 225324299 OYISSZGPGJANEI-UHFFFAOYSA-N 338.794 4.967 0 40 EJAB CC[C@@H](NC(=O)CSCc1ccccc1)c1ccc(OC)c(C)c1 225486796 PYNPJEKPRQFQFS-GOSISDBHSA-N 343.492 4.504 0 40 EJAB CC(C)c1ccc(NC(=O)COc2cccc(C(F)(F)F)c2)cc1 225809370 GXKUUSLYARRWQN-UHFFFAOYSA-N 337.341 4.846 0 40 EJAB Cc1cccc(OCc2ccc(C(=O)OCc3ccccc3)cc2)c1 409183448 SDGDKUYVQWCONW-UHFFFAOYSA-N 332.399 4.931 0 40 EJAB C[Si](C)(C)C(F)(F)C(F)(F)Oc1ccc(Br)cc1 1083805624 BSGYOBBHWWETQQ-UHFFFAOYSA-N 345.206 4.933 0 40 EJAB Cc1ccccc1-n1cnc2cc(NC(=O)c3ccccc3)ccc21 103940 YQCYZQSEMWZNQX-UHFFFAOYSA-N 327.387 4.586 0 40 EJAB Cc1ccc(NC(=S)Nc2ccc(F)c(F)c2F)cc1Cl 3444539 YKAMXFNJKWCCHV-UHFFFAOYSA-N 330.762 4.875 0 40 EJAB COc1ccc(C(C)(C)C)cc1NC(=O)Cc1c[nH]c2ccccc12 3552106 IMLJXFJOIGLILV-UHFFFAOYSA-N 336.435 4.655 0 40 EJAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H](C)c1ccc(F)cc1 5471407 KPDXQHLLSLPLQB-CABCVRRESA-N 343.442 4.768 0 40 EJAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc2c(c1)OCCO2 7670109 NGIKZGJEXMGTBO-UHFFFAOYSA-N 347.370 4.502 0 40 EJAB O=C(Nc1ccccc1)N(Cc1cccc(Cl)c1)c1ccccn1 8614996 SWVDWLHHQALOAN-UHFFFAOYSA-N 337.810 4.974 0 40 EJAB ClC1(Cl)C[C@H]1Cn1c(Cc2cccs2)nc2ccccc21 8786976 NRZCAKOEPMUCAR-NSHDSACASA-N 337.275 4.882 0 40 EJAB S=C(Nc1cccc2ncccc12)N1CCCC[C@@H]1c1cccnc1 8991846 PJZDEDCUUMLPMY-LJQANCHMSA-N 348.475 4.554 0 40 EJAB biogenic COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)CC(C)C 9141008 VBJCFIZARYLMJM-UHFFFAOYSA-N 340.448 4.957 0 40 EJAB Cc1cccc([C@@H]2CC(=O)c3cnc(Nc4ccc(F)cc4)nc3C2)c1 10156654 SITAELLYPLOUJB-HNNXBMFYSA-N 347.393 4.580 0 40 EJAB CC(C)c1ccc(OCCCCn2c(CO)nc3ccccc32)cc1 11735027 BYORMXVBRAGQPJ-UHFFFAOYSA-N 338.451 4.511 0 40 EJAB Cc1cc(C)c(NC(=O)CN2CCc3sccc3[C@H]2C)c(Cl)c1 12760655 IUFJUWFACKTZTK-CYBMUJFWSA-N 348.899 4.576 0 40 EJAB CSc1ccc(C(=O)Nc2ccc(-c3nccs3)cc2)cc1 12973449 ZVGMMNLFHRUUHJ-UHFFFAOYSA-N 326.446 4.784 0 40 EJAB CCCCOc1cccc(NC[C@@H](C)Oc2ccc(OC)cc2)c1 19738346 WOFLLZUGSBYOCQ-MRXNPFEDSA-N 329.440 4.754 0 40 EJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(OC(C)C)c1 20108884 ZWLZEMXPUYXQPQ-SFHVURJKSA-N 347.842 4.923 0 40 EJAB CCc1ccccc1O[C@H](C)C(=O)Nc1ccc(Cl)cc1Cl 20460125 SATQACFZFKWOII-LLVKDONJSA-N 338.234 4.962 0 40 EJAB Cc1ccc(SCCNC(=O)N(C)[C@@H](C)c2ccc(F)cc2)cc1 32862338 IOBXOVYRDPSIBJ-HNNXBMFYSA-N 346.471 4.629 0 40 EJAB Cc1ccc(C(=O)[C@H]2[C@@H](c3ccccc3)N2Cc2ccccc2)cc1 36020491 RLTHUIVLGQTWJM-GNLJQLLCSA-N 327.427 4.803 0 40 EJAB Cc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)c(Cl)c1 40478283 ZWNXFCXBQQJOQE-UHFFFAOYSA-N 346.217 4.944 0 40 EJAB Clc1ccccc1Oc1nc2ccccc2nc1N1CCCC1 64438530 HPQWUCPGRNZYIB-UHFFFAOYSA-N 325.799 4.676 0 40 EJAB Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2ccco2)ccc1Oc1cccnc1 84093749 ANDYBGMUYRVSHD-DLBZAZTESA-N 334.375 4.518 0 40 EJAB Cc1cnn(CCCCCOc2ccc(Oc3ccccn3)cc2)c1 84265233 OYIGYVKCUUBCBZ-UHFFFAOYSA-N 337.423 4.628 0 40 EJAB O=C(c1ccco1)N1N=C(c2ccco2)C[C@H]1c1cccc(Cl)c1 95116075 IIDNXTQRTXLPCY-HNNXBMFYSA-N 340.766 4.518 0 40 EJAB O=C(O)c1ccc2c(c1)N[C@@H](c1ccccc1)[C@@H](c1ccccc1)N2 217675879 IHKRBIZCPIQQSB-UXHICEINSA-N 330.387 4.705 0 40 EJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3c[nH]c4ccccc34)N21 222669420 FCBSMHWFVVWWEC-ZNZDAUKMSA-N 348.475 4.542 0 40 EJAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)N[C@H]1CCCc2ccccc21 224149555 ROIBGNYGQHPGFA-IERDGZPVSA-N 349.474 4.527 0 40 EJAB CCOC1(C(=O)Nc2ccc(OCC(C)C)c(C)c2)CCCCC1 225710012 HEYUFNWLBKQOPZ-UHFFFAOYSA-N 333.472 4.708 0 40 EJAB Cc1nc(NC(=O)c2cc3ccccc3s2)sc1C(F)(F)F 576575822 WDKOZFFIACWBSH-UHFFFAOYSA-N 342.367 4.937 0 40 EJAB Cc1ccccc1-c1cc(NC(=O)[C@@H]2C[C@H]2C)n(Cc2ccccc2)n1 1528230343 ZQQBBOFZRQIMLT-VQIMIIECSA-N 345.446 4.501 0 40 EJAB Fc1ccc(-c2cncc(CNC[C]3CCc4ccccc4O3)c2)cc1 1560405188 HRZSZARAUMAVAW-UHFFFAOYSA-N 347.413 4.534 0 40 EJAB O=C(NCC1CCCCCCC1)c1c(O)cc(Cl)cc1Cl 1610044944 VKXBISUPHVWRDO-UHFFFAOYSA-N 330.255 4.789 0 40 EJAB CCN(C(=O)C1CCCCC1)c1nc(-c2ccc(OC)cc2)cs1 418990 XFAQZSBHNASHID-UHFFFAOYSA-N 344.480 4.752 0 40 EJAB CCCCOc1ccc(NC(=O)/C=C/c2ccccc2OC)cc1 1782300 WEGZGKZGHUABIP-NTEUORMPSA-N 325.408 4.526 0 40 EJAB Cc1cc(C(=O)OCc2cccc(C(F)(F)F)c2)c2ccccc2n1 3247918 ZMIWRCYAIFSBIN-UHFFFAOYSA-N 345.320 4.919 0 40 EJAB Fc1cccc(F)c1-n1c(CNCc2ccccc2)csc1=S 4054524 YLMFQVPLKRVBPU-UHFFFAOYSA-N 348.443 4.836 0 40 EJAB CC[C@@H](O)c1nc2ccccc2n1Cc1ccc(Cl)cc1Cl 4386176 ORTDLMLFJLPOFV-MRXNPFEDSA-N 335.234 4.835 0 40 EJAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H](C)c1ccc(F)cc1 5471400 KPDXQHLLSLPLQB-HUUCEWRRSA-N 343.442 4.768 0 40 EJAB CCCCCNCc1ccc(OCc2ccccc2C)c(OC)c1 7261288 LFDROBLVZDTJSE-UHFFFAOYSA-N 327.468 4.862 0 40 EJAB Cc1ccc([C@H](NC(=O)Cc2ccccc2F)c2ccccc2)cc1 7686111 TYWYBXQZKJFFRS-JOCHJYFZSA-N 333.406 4.582 0 40 EJAB O=C(Nc1nc(-c2ccc3c(c2)CCC3)cs1)c1ccccc1F 7792991 PFXNTICCIDFLDL-UHFFFAOYSA-N 338.407 4.690 0 40 EJAB CCCCn1nc(C)c(C(=O)Nc2cccc(Cl)c2)c1Cl 7917533 NEQKSAKIENICCR-UHFFFAOYSA-N 326.227 4.551 0 40 EJAB CCOCCCNCc1c(OCc2ccccc2)ccc2ccccc12 8253125 NKKBNXMMFAJFPN-UHFFFAOYSA-N 349.474 4.935 0 40 EJAB Cc1cc(C(=O)N2CCC(Cc3ccccc3)CC2)c2ccccc2n1 8289681 OIXXUVUJQJPBOG-UHFFFAOYSA-N 344.458 4.638 0 40 EJAB Cc1cnc(NC(=O)[C@@H](C)c2ccc(-c3ccccc3)c(F)c2)s1 12407534 VMBKYGOMLSZGIQ-ZDUSSCGKSA-N 340.423 5.000 0 40 EJAB Brc1cnc2nc(SC/C=C/c3ccccc3)[nH]c2c1 12508135 AEIVAAMPXAJSBF-QPJJXVBHSA-N 346.253 4.526 0 40 EJAB O=C(/C=C/c1ccccc1)Nc1nnc(-c2ccccc2Cl)s1 13465539 SRIWULXGJQEBIC-ZHACJKMWSA-N 341.823 4.510 0 40 EJAB COc1c(F)c(F)c(C(=O)Nc2ccc(C(C)C)cc2)c(F)c1F 14258137 HMKVPMUUUOEYFO-UHFFFAOYSA-N 341.304 4.627 0 40 EJAB COc1ccc(-c2csc3ncnc(NCc4ccccc4)c23)cc1 15174063 OKYPVCHXWCGKJS-UHFFFAOYSA-N 347.443 4.979 0 40 EJAB Cc1ccc2c(C)c(C(=O)Nc3nc4c(s3)C[C@H](C)CC4)oc2c1 15833212 QQVCMFQWOUIUAW-LLVKDONJSA-N 340.448 4.883 0 40 EJAB Cc1ccc([C@H](C)NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 20459216 PHTFEHHMXRGZDY-HOTGVXAUSA-N 345.870 4.910 0 40 EJAB Cc1ccc(O[C@@H](C)C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)cc1 21830009 QNYOTJVFZZWZPH-IFXJQAMLSA-N 343.854 4.683 0 40 EJAB O=C(CSCc1ccccc1Cl)NC12CC3CC(CC(C3)C1)C2 23411051 CUOMAKLJRRVZEG-UHFFFAOYSA-N 349.927 4.658 0 40 EJAB O=C(NCc1ccccn1)c1sc2cccc(Cl)c2c1Cl 27980147 JYGIXVLYKRVJMP-UHFFFAOYSA-N 337.231 4.533 0 40 EJAB C[C@@H](NC(=O)[C@H]1CC1(Cl)Cl)c1ccc(-c2ccccc2)cc1 32978377 DFUGJOZIEKEUPY-MLGOLLRUSA-N 334.246 4.725 0 40 EJAB Fc1cccc(COc2ccc(C(=S)N3CCCC3)cc2Cl)c1 33731310 QFPHTMWPGHRCCS-UHFFFAOYSA-N 349.858 4.829 0 40 EJAB CN1CCCC[C@@H]1CCc1ccccc1NC(=O)/C=C/c1ccccc1 34033127 UXIPFQUBOVWAQW-PVGBUVFQSA-N 348.490 4.755 0 40 EJAB in-man Cc1oc(-c2cccs2)nc1C(=O)N(Cc1ccsc1)C1CC1 67075091 DMZCIHMDYOYZNU-UHFFFAOYSA-N 344.461 4.578 0 40 EJAB CCc1ccc([C@H](C)NC(=O)[C@@H](CC)Oc2ccc(Cl)cc2)cc1 78458462 HCYJDZVQZXCKDJ-IFXJQAMLSA-N 345.870 4.937 0 40 EJAB CCc1nnc([C@H](C)Nc2ccc(OCc3ccco3)c(Cl)c2)o1 95404405 QAEUYEDOHYVNRZ-NSHDSACASA-N 347.802 4.631 0 40 EJAB CC1(C)Oc2ccc(NC(=O)N3[C@H]4CC[C@H]3c3ccccc34)cc2O1 101222420 XCYMZLYWLQOWJT-HOTGVXAUSA-N 336.391 4.618 0 40 EJAB CC[C@H](NC(=O)COc1ccccc1Cl)c1ccc(C)cc1C 218851195 QXNAGUDFVZEPDB-KRWDZBQOSA-N 331.843 4.603 0 40 EJAB CSc1cccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)c1 218918991 XJCNOMMWMZPFFF-UHFFFAOYSA-N 335.856 4.696 0 40 EJAB O=C(c1cc2ccccc2o1)N1CCS[C@@H](c2cccs2)CC1 219491153 ZUTUDUMCWYRYAY-QGZVFWFLSA-N 343.473 4.815 0 40 EJAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccc3c4c(cccc24)CC3)c1C 224432310 XGNMJTUXZJTZRI-INIZCTEOSA-N 345.442 4.961 0 40 EJAB Cc1ccccc1C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)O 225015534 MYFPBZPEHRGOFV-NRFANRHFSA-N 332.399 4.737 0 40 EJAB COc1cccc(NC(=O)N[C@H](c2ccccc2)c2cccc(C)c2)c1 225763755 JTMNMIUQSXKADY-OAQYLSRUSA-N 346.430 4.915 0 40 EJAB C[C@@H](O)c1cccc(NC(=O)C(c2ccccc2)c2ccccc2)c1 226274115 IPGLMOULHJBQKC-MRXNPFEDSA-N 331.415 4.511 0 40 EJAB C[C@H]1CCC[C@@H](C)N1C(=O)c1ccc(-c2cc(N)ccc2Cl)o1 226305221 OBWPYYLEBHENHC-TXEJJXNPSA-N 332.831 4.585 0 40 EJAB CCOc1ccccc1N1C(=O)CS[C@@H]1c1ccc(Cl)cc1 31856 VUUYCWHPKYSZNU-QGZVFWFLSA-N 333.840 4.517 0 40 EJAB CCC(CC)c1nc(Nc2ccc(C(=O)O)cc2)c2ccccc2n1 136888 ICSMYXNXVFIHEY-UHFFFAOYSA-N 335.407 4.975 0 40 EJAB Cc1nc2ccccc2nc1OCC(=O)c1ccc(Cl)c(Cl)c1 579124 ZRXJDZKZUVEROU-UHFFFAOYSA-N 347.201 4.507 0 40 EJAB CCc1nc2ccc(F)cc2c(C(=O)N[C@H]2CCCC[C@@H]2C)c1C 920360 WEKTWUWLWLMTRG-SJCJKPOMSA-N 328.431 4.553 0 40 EJAB Cc1nc(NCc2ccccn2)c2cc(-c3ccccc3)sc2n1 3370265 HAEKDKWEPOVFSN-UHFFFAOYSA-N 332.432 4.674 0 40 EJAB CCOc1ccc(-c2ccc(SCc3ccccc3F)nn2)cc1 4355895 BDZDOEHDNASQAP-UHFFFAOYSA-N 340.423 4.974 0 40 EJAB CC1=C(C)[C@@H](Nc2cccc(C(F)(F)F)c2)N(CCC(C)C)C1=O 4561545 LDERSMYAKWFNOR-INIZCTEOSA-N 340.389 4.668 0 40 EJAB Cc1ccc(Nc2nc(-c3cccs3)c(CC(=O)O)s2)cc1C 4638532 MEAOXDBFIBIAKH-UHFFFAOYSA-N 344.461 4.859 0 40 EJAB CC1=C(C)[C@H](c2cn(C)c3ccccc23)N(Cc2ccccc2)C1=O 4748275 SSJVDWMCJUEBJM-OAQYLSRUSA-N 330.431 4.598 0 40 EJAB CCc1ccccc1NC(=O)c1ccc(COc2ccc(C)cc2)o1 5033120 DVKKGQSMXGPSMO-UHFFFAOYSA-N 335.403 4.982 0 40 EJAB CCn1c2ccccc2c2cc(NC(=S)NCc3ccco3)ccc21 7527822 UIJFCFZCUUWSIV-UHFFFAOYSA-N 349.459 4.894 0 40 EJAB CC(=O)c1cccc(NC(=O)c2ccc(-c3ccccc3)nc2C)c1 12762063 SYBPCIGUWPAKGT-UHFFFAOYSA-N 330.387 4.512 0 40 EJAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)/C=C/c1ccsc1 14084756 NPOFPUIFZKMNMN-ABZNLYFFSA-N 328.462 4.591 0 40 EJAB COc1ccc2c(c1)C[C@H](C)C1=C2CC[C@@]2(C)C1=CC[C@H]2OC(C)=O 16609722 VNZLWPUSAJFFMR-NJDIQBRYSA-N 338.447 4.703 0 40 EJAB Cc1ccc2nc(SCC(=O)Nc3c(C)cccc3C)sc2c1 27525623 ZMALWFQIJMSPSQ-UHFFFAOYSA-N 342.489 4.952 0 40 EJAB COC(=O)[C@H](Oc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1 34043204 QLDNTSUUGXVVFK-CQSZACIVSA-N 344.716 4.652 0 40 EJAB CCN(CC)c1ccc(NC(=O)c2cc(C)nc3ccccc23)cc1 57274512 SHSUTPRLXVCARS-UHFFFAOYSA-N 333.435 4.642 0 40 EJAB Cc1noc(C)c1[C@@H](C)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 58194996 KPVUKEFUACWJOW-ZCFIWIBFSA-N 347.629 4.994 0 40 EJAB Cc1ccc(NC(=O)c2cc(Cl)sc2Cl)c(CN(C)C)c1 69844887 PUQZCYSKJQHURU-UHFFFAOYSA-N 343.279 4.677 0 40 EJAB CCN1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 72215434 OMIWARQJOVQPLL-KRWDZBQOSA-N 345.487 4.532 0 40 EJAB CSc1ncccc1[C@H]1CCCCN1C(=O)OCc1ccccc1 72216972 PZGJZAHLVCVXTO-QGZVFWFLSA-N 342.464 4.667 0 40 EJAB COCc1ccccc1NC(=O)Nc1ccc(-c2nccs2)cc1 72282514 ZBOBQWCHRFLZMQ-UHFFFAOYSA-N 339.420 4.601 0 40 EJAB CC(C)(Cc1cccc(Cl)c1)C(=O)N1CCc2sccc2C1 84739099 CWMGDSPPMVSKRD-UHFFFAOYSA-N 333.884 4.555 0 40 EJAB Cc1ccc(-c2nc(C)c([C@@H](C)N[C@H](C)c3cnn(C)c3)s2)cc1 96477350 MDLAOYIMGBHMSF-ZIAGYGMSSA-N 340.496 4.572 0 40 EJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCC1CCCCC1 224476302 LUHDCKRMYWIOGY-MRXNPFEDSA-N 325.905 4.907 0 40 EJAB CC(C)Oc1cccc(NC(=S)NC2(c3ccco3)CCCC2)c1 225867837 OMURVYADJXHCKO-UHFFFAOYSA-N 344.480 4.823 0 40 EJAB Cc1c([C@@H](NCc2cnn(CC(F)F)c2)C(C)C)oc2ccccc12 510982301 KRWWDLDDGCRJBO-SFHVURJKSA-N 347.409 4.690 0 40 EJAB CC[C@@H](C(=O)NCc1ccc(-c2cccs2)o1)c1ccccc1 575607965 GDCSMGRMPDTGDD-MRXNPFEDSA-N 325.433 4.818 0 40 EJAB Cc1c(CN2CCC[C@H](c3nccs3)C2)[nH]c2c(C)cccc12 2037850064 NNIZEMSVWWKODD-HNNXBMFYSA-N 325.481 4.621 0 40 EJAB CCOC(=O)c1cnc2c(C)cc(C)cc2c1NCCc1ccccc1 71933 CFMIZHDHQMMPOC-UHFFFAOYSA-N 348.446 4.683 0 40 EJAB O=C(Nc1nc2c(s1)CCCC2)c1ccc(Cl)c(Cl)c1 151145 GQFKXRHTLPBYCP-UHFFFAOYSA-N 327.236 4.581 0 40 EJAB COc1ccc(-n2cnc3cc(NCc4cccs4)ccc32)cc1 536333 TVVQLBGZRZUAEN-UHFFFAOYSA-N 335.432 4.708 0 40 EJAB CCc1cccc(N2COc3c(cc4c(C)c(C)c(=O)oc4c3C)C2)c1 2123381 OYPBTNSLJMHNJN-UHFFFAOYSA-N 349.430 4.637 0 40 EJAB biogenic O=C(CCc1ccc(Br)cc1)c1ccc(F)cc1F 2517205 MYCNEPIYFYKKGC-UHFFFAOYSA-N 325.152 4.543 0 40 EJAB CN(C)[C@@H](C(=O)c1ccccc1)C(c1ccccc1)c1ccccc1 2631275 SZXDHSMXKRLDLO-JOCHJYFZSA-N 329.443 4.632 0 40 EJAB COc1ccc(OCCOC(=O)c2ccc(-c3ccccc3)cc2)cc1 2635132 DQHYCVZTRLAQDA-UHFFFAOYSA-N 348.398 4.598 0 40 EJAB CC[C@H](C)c1ccccc1OC[C@H](O)CNC(C)(C)CC(C)(C)C 2694446 HVYPGZIRVLSJMJ-DLBZAZTESA-N 335.532 4.744 0 40 EJAB CC(C)c1ccc(OCc2ccc(C(=O)OCC(F)(F)F)o2)cc1 2750231 KGKUDQSSCYSRGB-UHFFFAOYSA-N 342.313 4.701 0 40 EJAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccccc1Cl 2765987 GAQKOHPQVIGYBF-AWEZNQCLSA-N 345.870 4.721 0 40 EJAB O=C(OCc1nc2ccccc2s1)c1cccc(C(F)(F)F)c1 3360108 BSUTTYKYLZFFCG-UHFFFAOYSA-N 337.322 4.672 0 40 EJAB CCN(c1ccccc1)c1ncnc2c1cnn2-c1ccc(Cl)cc1 3912269 FCTOVLLBCIKAIS-UHFFFAOYSA-N 349.825 4.627 0 40 EJAB CC[C@H](OC(=O)c1ccccc1C(=O)O)[C@H](CC)c1ccccc1 4795088 NUKCMNUIKWFODJ-QAPCUYQASA-N 326.392 4.514 0 40 EJAB CCc1ccc(N2C(=O)S/C(=C\c3c[nH]c4ccccc34)C2=O)cc1 5552704 WGMHOPIYEARHSC-WQRHYEAKSA-N 348.427 4.971 0 40 EJAB CCC[C@H](C(=O)OCCN1CCCC12CCCCC2)C1CCCC1 6380963 VXWHBMILFDTMFQ-IBGZPJMESA-N 335.532 4.935 0 40 EJAB O[C@@](c1nc2ccccc2s1)(c1c[nH]c2ccccc12)C(F)(F)F 9453219 IGPTWYSKNZTNGY-MRXNPFEDSA-N 348.349 4.576 0 40 EJAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(C(C)C)cc1 11636887 QBQVFZWFHGEOPE-IBGZPJMESA-N 327.424 4.615 0 40 EJAB Cc1cc(NC(=O)C(c2ccccc2)c2ccccc2)n(C(C)C)n1 11695178 GFCRUZRMTYKIMQ-UHFFFAOYSA-N 333.435 4.543 0 40 EJAB CC(=O)NCc1ccc(-c2nc(-c3ccsc3)sc2C)s1 14103645 XKXFRVOHEFESHD-UHFFFAOYSA-N 334.491 4.545 0 40 EJAB COc1ccc(C(=O)N[C@H](c2ccccc2)c2ccccc2C)cc1 20451542 PTKWNUBLUKDINN-OAQYLSRUSA-N 331.415 4.523 0 40 EJAB O=C(NCc1ccco1)c1sc2cccc(Cl)c2c1Cl 27980133 SXBIOPYNAMYQRN-UHFFFAOYSA-N 326.204 4.731 0 40 EJAB Cc1ccc(-c2cc(CSc3nnc(-c4ccco4)o3)on2)cc1 32324080 LQHIPUVLKWIMKE-UHFFFAOYSA-N 339.376 4.585 0 40 EJAB COc1cccc(NC(=O)Cc2coc3cc(C)c(Cl)c(C)c23)c1 39892925 LSYOBYUWJVRIRK-UHFFFAOYSA-N 343.810 4.893 0 40 EJAB OC1=Nc2c(cnn2Cc2ccccc2Cl)[C@H](c2cccs2)C1 49549970 QZPXQKNMBSKHKJ-GFCCVEGCSA-N 343.839 4.770 0 40 EJAB CC[C@@H](NC(=O)[C@H](C)Oc1ccc(C)c(C)c1)c1ccc(C)cc1 59351756 AKAWAWUHLUATMB-FXAWDEMLSA-N 325.452 4.647 0 40 EJAB Fc1cc(F)cc(NC(=S)Nc2ccc(OC(F)(F)F)cc2)c1 71761069 ZOIVHYXVPNEYCB-UHFFFAOYSA-N 348.296 4.672 0 40 EJAB Cc1c(-c2nnc3sc(-c4ccccc4)nn23)oc2ccccc12 96194085 BJDFUXDTQZLEBF-UHFFFAOYSA-N 332.388 4.574 0 40 EJAB COc1ccc([C@@H]2CCCCN(C(=O)c3cccc(Cl)c3)C2)cc1 208003156 PBXAKSXNCFYJQP-QGZVFWFLSA-N 343.854 4.759 0 40 EJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N(C)Cc1ccccc1 215950179 ZZHXIMSPLONBEV-NRFANRHFSA-N 333.431 4.656 0 40 EJAB CCCCCCS(=O)(=O)c1ccc2nc(Cl)cc(C)c2c1 217429735 QMFALCMHRUXTBA-UHFFFAOYSA-N 325.861 4.551 0 40 EJAB CC[C@H](NC(=O)COc1cc(C)ccc1C)c1ccc(C)cc1C 218952386 HXMDPAFQAKEKBI-IBGZPJMESA-N 325.452 4.567 0 40 EJAB CCCOCc1cc(C(=O)Nc2cc(Cl)ccc2C)ccc1OC 224413524 RTRWVYIGXNVWDO-UHFFFAOYSA-N 347.842 4.836 0 40 EJAB CC(C)=CCOc1cc2c(cc1C=O)OC(C)(C)[C@@H]1CC[C@@H](C)O[C@@H]21 257236329 HBQBBZOLRQDPIZ-ZTQAJYAQSA-N 344.451 4.871 0 40 EJAB CC(C)Cn1nc(-c2ccc(C(=O)O)cc2)cc1-c1cccc(F)c1 257268364 MLJUXGXYKNCRBB-UHFFFAOYSA-N 338.382 4.710 0 40 EJAB O=C(NC1(c2cccs2)CCCC1)c1cc(-c2ccccc2)on1 390827668 IUGKETUTXPTUJH-UHFFFAOYSA-N 338.432 4.602 0 40 EJAB O=C(Nc1ccc2nc(-c3ccccn3)oc2c1)c1ccc(Cl)cc1 538558481 CNMWIAPJWUIKCL-UHFFFAOYSA-N 349.777 4.796 0 40 EJAB CCc1nn(C)cc1N[C@H](C)c1cccc(OCc2ccccc2)c1 538580109 NOUCRQJVBXLRMZ-MRXNPFEDSA-N 335.451 4.735 0 40 EJAB O=C(Nc1ccc(Cl)cn1)C1c2ccccc2Oc2ccccc21 30292 NIIBOODBJMCQGZ-UHFFFAOYSA-N 336.778 4.611 0 40 EJAB O=C(/C=C/c1ccc(Cl)cc1)N1CCCC[C@@H]1c1cccnc1 123478 ZQNLVSARDLMXNR-VEGGFIAOSA-N 326.827 4.502 0 40 EJAB CC(=O)Nc1ccc(OC(=O)N(c2ccccc2)c2ccccc2)cc1 152063 XZJNOPHSBFEQPV-UHFFFAOYSA-N 346.386 4.982 0 40 EJAB O=C1c2cccc3cccc(c23)C(=O)N1c1cccc(C(F)(F)F)c1 193333 QQSGATAKHIFTDG-UHFFFAOYSA-N 341.288 4.659 0 40 EJAB CCOc1ccccc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 382458 SHNNRCGVEUZLQL-UHFFFAOYSA-N 333.815 4.535 0 40 EJAB CSc1ccccc1NC(=O)c1noc2c1C[C@@H](C(C)(C)C)CC2 426624 YBGSMZJMBRRHNA-LBPRGKRZSA-N 344.480 4.800 0 40 EJAB CCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccc(C)cc1)CO3 2113686 SHHXQVBVOCDGKA-UHFFFAOYSA-N 349.430 4.719 0 40 EJAB biogenic c1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)cc1 4133160 PPEFRUATYSNLBV-PXNSSMCTSA-N 332.428 4.990 0 40 EJAB C[N+]1=C(/C=C\c2ccnc3c(O)cccc23)C(C)(C)c2ccccc21 4830541 VUMWAHQWOVNJRM-UHFFFAOYSA-O 329.423 4.660 0 40 EJAB Cc1ccc(-c2nnc(SCC(=O)c3cc(C)ccc3C)o2)cc1 5862657 GPYJLRXBNPPVRO-UHFFFAOYSA-N 338.432 4.637 0 40 EJAB O=C(Nc1nc2ccc(Cl)cc2s1)C1(c2ccccc2)CC1 7485947 AUOVROKXXCBDLM-UHFFFAOYSA-N 328.824 4.620 0 40 EJAB CC(C)(C)c1ccc(C(=O)CSc2ccccc2C(=O)O)cc1 8048447 BWNCZNRVBLUTJV-UHFFFAOYSA-N 328.433 4.657 0 40 EJAB O=C(/C=C/c1cccc(C(F)(F)F)c1)OCc1nc2ccccc2o1 8497812 FYCPEMVWNLHPJX-CMDGGOBGSA-N 347.292 4.603 0 40 EJAB Cc1ccc2c(CN(Cc3ccccc3)C(C)C)cc(=O)oc2c1C 10929947 RGBABLLOHILJKJ-UHFFFAOYSA-N 335.447 4.820 0 40 EJAB C[C@@H](C1CC1)N(C)C(=O)c1cn(Cc2ccccc2)c2ccccc12 12536533 PSUHPBHJRGSNHY-INIZCTEOSA-N 332.447 4.560 0 40 EJAB O=C(O)c1ccc(Cl)c(NC(=O)c2cccc(Cl)c2Cl)c1 13167632 URMKZBROFZSNCT-UHFFFAOYSA-N 344.581 4.597 0 40 EJAB COc1ccc(S[C@@H](C)C(=O)Nc2ccccc2C(C)C)cc1 18543855 DQSLMFIURWXSGX-AWEZNQCLSA-N 329.465 4.938 0 40 EJAB Cc1ccc(C(=O)Nc2cc(-c3ccc(CO)o3)ccc2Cl)cc1 20137511 BTYXFAAYZHOYPZ-UHFFFAOYSA-N 341.794 4.653 0 40 EJAB CCc1oc2ccccc2c1/C=C/C(=O)N1CCC[C@H]1c1ccncc1 27277419 CJCJSVASBNAVDA-YXBWYFRISA-N 346.430 4.767 0 40 EJAB CCOc1cccc(C(=O)N(Cc2ccco2)Cc2cccs2)c1 28231845 JOLFWSSHYLUFLA-UHFFFAOYSA-N 341.432 4.582 0 40 EJAB O=C(Nc1cccc(-c2nc3cnccc3o2)c1)c1ccc(Cl)cc1 32105148 PBFWJKXKGIILDD-UHFFFAOYSA-N 349.777 4.796 0 40 EJAB COc1cc(C)ccc1OCc1csc(Cc2ccccc2)n1 40116457 UGSRTNVBWSFUCB-UHFFFAOYSA-N 325.433 4.630 0 40 EJAB C[C@@H](NC(=O)c1cc(-c2cccc3ccccc23)[nH]n1)c1ccccc1 44839316 WDBGIHNBRLVZRE-OAHLLOKOSA-N 341.414 4.721 0 40 EJAB COc1cc(Br)c2oc(-c3ccccc3Cl)nc2c1 45920272 BECFEDNPRTWQLK-UHFFFAOYSA-N 338.588 4.919 0 40 EJAB Cc1nc(C(=O)N[C@@H](c2ccccc2)c2cc3ccccc3o2)cs1 65474423 PRHMCDKFYKMDBP-IBGZPJMESA-N 348.427 4.717 0 40 EJAB O=C(Nc1cccc(N2CCCCC2)c1)N[C@H]1CCCc2ccccc21 70005622 UXXQUKLGWRSZNC-NRFANRHFSA-N 349.478 4.876 0 40 EJAB Cc1ccc(CCNC(=O)c2ccc(Oc3ccc(C)cc3)o2)cc1 72260086 WTTBFESXTDYSAB-UHFFFAOYSA-N 335.403 4.661 0 40 EJAB Clc1cnc2oc(-c3cc(Br)ccc3Cl)nc2c1 78407007 FKYXQCGFCWPFDY-UHFFFAOYSA-N 343.995 4.959 0 40 EJAB COc1ccc2nc(Nc3ccc(Br)cc3)sc2c1 95082233 QSEVUYPCCZRWEK-UHFFFAOYSA-N 335.226 4.811 0 40 EJAB Cc1csc([C@@H](NCc2cc(Cl)cc3cccnc23)C2CC2)n1 95418540 SBRJCLHFICGINB-KRWDZBQOSA-N 343.883 4.894 0 40 EJAB Cc1cc(C)nc(Nc2ccc(C(=O)Nc3ccc(C)c(C)c3)cc2)n1 170569460 YWOQQHGPOLNAKL-UHFFFAOYSA-N 346.434 4.706 0 40 EJAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1c(C)cccc1C(C)C 216261926 DBXMQRPSZFRNDV-LJQANCHMSA-N 341.451 4.923 0 40 EJAB Fc1ccccc1-c1nc2cc(Br)cc(Cl)c2[nH]1 216914559 KMAQGLQJAYYJJH-UHFFFAOYSA-N 325.568 4.785 0 40 EJAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccccc1F)c1ccc(C)cc1C 219582641 SSBZCLWTTJLGGP-RBUKOAKNSA-N 343.442 4.867 0 40 EJAB C[Si](C)(C)c1c(C(F)(F)F)nc2ccccc2c1Br 219792030 YKPILTNUNXWXRB-UHFFFAOYSA-N 348.238 4.561 0 40 EJAB CC(C)c1ccoc1C(=O)Nc1ccccc1OCc1cscn1 252496289 PFXPJPMXUCREIT-UHFFFAOYSA-N 342.420 4.691 0 40 EJAB C[C@@H](CC(=O)N1CC(C(C)(C)C)C1)c1ccccc1C(F)(F)F 622684731 RFSNOPRWHCHLIE-LBPRGKRZSA-N 327.390 4.704 0 40 EJAB Cc1cccc(NC(=O)c2c(-c3ccccc3Cl)noc2C)c1 95007 GTEXQYZDISTUJO-UHFFFAOYSA-N 326.783 4.864 0 40 EJAB COc1ccc(OC)c(NC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)c1 363600 QKXYCDBYSRBYMQ-HNNXBMFYSA-N 341.451 4.645 0 40 EJAB Cc1ccc(-n2c(-c3ccccc3)nc3ccccc3c2=O)c(C)c1 509230 SZARVKMBVHDNKE-UHFFFAOYSA-N 326.399 4.670 0 40 EJAB CCN(CC)Cc1ccc(NC(=O)c2ccc(OC(C)C)cc2)cc1 568286 PDAXJMQEWGABFZ-UHFFFAOYSA-N 340.467 4.568 0 40 EJAB COc1cc(C)c(/C=C2/SC(=O)N(C(C)C)C2=O)cc1C(C)C 981477 UZXFBDBQEWGNLL-CXUHLZMHSA-N 333.453 4.572 0 40 EJAB Cc1cc(C)c2c(-n3cccc3)c(NC(=O)OC(C)C)sc2n1 1102069 MFNCFTZOIXGWAC-UHFFFAOYSA-N 329.425 4.661 0 40 EJAB Fc1ccc(Oc2nc(C(F)(F)F)nc3ccccc23)c(F)c1 1387552 OKDDCCIOOGRKCW-UHFFFAOYSA-N 326.224 4.719 0 40 EJAB O[C@]12c3ccccc3[C@H]1CCCCCCCCCC21OCCCO1 1634685 KVLBPWUWERSWBG-NQIIRXRSSA-N 330.468 4.629 0 40 EJAB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1cccc2nsnc12 1737164 WXWWYZWGRXNXOL-UHFFFAOYSA-N 339.207 4.642 0 40 EJAB CCCN(CCC)C(=O)CCCOc1ccc(Cl)cc1Cl 4598849 AKZYKMPBZSHBAP-UHFFFAOYSA-N 332.271 4.801 0 40 EJAB O=C1N(c2ccccc2)[C@@H](c2ccc(Cl)cc2Cl)N2CCCN12 5306329 OJESBVVQDQIASP-INIZCTEOSA-N 348.233 4.555 0 40 EJAB Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccccc1F 9063966 XRYQMIQJNDAFAW-UHFFFAOYSA-N 345.377 4.930 0 40 EJAB O=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)c1cccs1 10120067 UESCIEHIRLRKSH-UHFFFAOYSA-N 334.400 4.732 0 40 EJAB Cc1nc2ccc(Cl)cc2cc1C(=O)Nc1ccc(F)c(F)c1 11772884 SMHWVJIPTFSRFV-UHFFFAOYSA-N 332.737 4.727 0 40 EJAB Cc1cc2cc(C(=O)N[C@H](c3ccccc3)c3cccnc3)ccc2o1 12148270 HVVJVQYQRRSETC-OAQYLSRUSA-N 342.398 4.656 0 40 EJAB O=C(CCc1ncc(-c2ccccc2F)o1)Nc1cccc(Cl)c1 12619945 SKQADFVBKLGDPE-UHFFFAOYSA-N 344.773 4.705 0 40 EJAB O=C(Nc1ccc(SC(F)F)cc1)c1nc(Cl)ccc1Cl 15627351 GPXDQCNYOGVVFD-UHFFFAOYSA-N 349.189 4.955 0 40 EJAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 20049035 HCADGJSMVLYQCN-OAHLLOKOSA-N 341.304 4.641 0 40 EJAB CCCCOc1cccc(C(=O)Nc2nc3c(s2)C[C@H](C)CC3)c1 20897336 KFOAWOZHMKAARX-CYBMUJFWSA-N 344.480 4.699 0 40 EJAB CC(C)c1noc([C@H](C)Sc2nc3ccccc3n2C(F)F)n1 27814392 PQIHKIGDJWSXLD-VIFPVBQESA-N 338.383 4.791 0 40 EJAB CN(Cc1nc2ccccc2[nH]1)C(=O)c1sccc1-c1ccccc1 28985104 FXTYHQPWKFFQLR-UHFFFAOYSA-N 347.443 4.564 0 40 EJAB CSc1cccc(NC(=O)[C@H](C)Oc2ccccc2C(C)C)c1 30869374 FQEYPTJABRKPCK-AWEZNQCLSA-N 329.465 4.938 0 40 EJAB C[C@@H](NC(=O)CSCc1cccs1)c1ccc(Cl)s1 32037829 YEXVXOMLABMUIA-SECBINFHSA-N 331.915 4.574 0 40 EJAB CC(=O)N(CC[C@@](C)(c1ccccc1)C1CC1)[C@H]1CCOC(C)(C)C1 32070667 DIYDHMDCFFPHKX-UNMCSNQZSA-N 343.511 4.551 0 40 EJAB C[C@H](CCc1ccccc1)NC(=O)c1[nH]c2ccccc2c1Cl 40143265 FEJSAOVJSXQIOS-CYBMUJFWSA-N 326.827 4.572 0 40 EJAB CCCCOc1cccc(C(=O)Nc2c(C)cc(N)cc2CC)c1 45889256 KOJJWSFLZYNENA-UHFFFAOYSA-N 326.440 4.571 0 40 EJAB Cc1cc(C)c(S(=O)(=O)Nc2c(Cl)cccc2Cl)c(C)c1 58901375 GQEADOIYLCRKMW-UHFFFAOYSA-N 344.263 4.719 0 40 EJAB Cc1ccc(F)c(NC(=S)Nc2cccc(CN3CCCC3)c2)c1 65702655 YGZQKNFBPNTYKX-UHFFFAOYSA-N 343.471 4.539 0 40 EJAB Cc1cc(N)cc2nc(-c3cc(Br)ccc3Cl)oc12 70461461 QKUXRYWRZYKKLQ-UHFFFAOYSA-N 337.604 4.801 0 40 EJAB Cc1ccccc1CN1CCC[C@H]1c1cccc(Nc2ccccn2)n1 72375264 RTRCDARWIGPSMD-FQEVSTJZSA-N 344.462 4.866 0 40 EJAB CCCN(Cc1ccsc1)C(=O)NC12CC3CC(CC(C3)C1)C2 75170393 WDJLHKWDRUXWOX-UHFFFAOYSA-N 332.513 4.639 0 40 EJAB O[C@]1(Cc2ccccc2)CCCC[C@](O)(Cc2ccccc2)CCC1 96509986 UZMMNQWJBZIJIW-DHIUTWEWSA-N 338.491 4.678 0 40 EJAB CCc1c(C)nc2c(-c3ccccc3)c(-c3ccccc3)nn2c1O 101846529 JJJCZBVBODHKBL-UHFFFAOYSA-N 329.403 4.640 0 40 EJAB Cc1cc(C)nc(Nc2cccc(C(=O)Nc3cccc(C)c3C)c2)n1 170564520 KGQRGRDGPWCPOV-UHFFFAOYSA-N 346.434 4.706 0 40 EJAB C[C@@H](Oc1ccccc1)C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 219483972 XYHAVFLGONAKMR-HZPDHXFCSA-N 325.452 4.629 0 40 EJAB O=C(CSCc1ccc(Cl)cc1F)NCCC1=CCCCC1 225493886 AEOLJTBBCWKJEF-UHFFFAOYSA-N 341.879 4.719 0 40 EJAB CC[C@H](C(=O)NCc1ccc(-c2cccs2)o1)c1ccccc1 575607964 GDCSMGRMPDTGDD-INIZCTEOSA-N 325.433 4.818 0 40 EJAB CCc1cc2ccccc2nc1SCC(=O)Nc1cccc(F)c1 413301 GQALKSZMGXSJJM-UHFFFAOYSA-N 340.423 4.667 0 40 EJAB CC(C)C(=O)Oc1ccc2c(=O)c(-c3ccc(Cl)cc3)coc2c1 537424 DZSVIKSMDHVWJU-UHFFFAOYSA-N 342.778 4.675 0 40 EJAB biogenic CCN(CC)Cc1ccccc1COC(=O)c1cccc(Cl)c1 1725105 NRBLQUXXEBJELE-UHFFFAOYSA-N 331.843 4.539 0 40 EJAB CCCCc1ccc(Nc2ncnc3c2cnn3-c2ccccc2)cc1 2195552 ZTVTUAAVHRASEO-UHFFFAOYSA-N 343.434 4.902 0 40 EJAB O=C(Cc1cccc(Br)c1)c1cccc(C(F)(F)F)c1 2393034 SKZSRQFBEZDCFQ-UHFFFAOYSA-N 343.142 4.893 0 40 EJAB CCSc1cccc(C(=O)Nc2nc(-c3cccnc3)cs2)c1 5203595 MMOJQCTYSXUABZ-UHFFFAOYSA-N 341.461 4.569 0 40 EJAB O=C1CCCN1c1cccc(-c2csc(-c3ccsc3)n2)c1 8102891 VKYSAFQELFOVDZ-UHFFFAOYSA-N 326.446 4.665 0 40 EJAB COc1ccc(/C=C/C(=O)Nc2cc(C(C)(C)C)ccc2OC)cc1 8133203 FMRMRKYQUJFZBJ-MDWZMJQESA-N 339.435 4.653 0 40 EJAB COc1c(F)c(F)c(C(=O)Nc2ccc3ccccc3c2)c(F)c1F 9141502 YOEXHMMGFAVXRE-UHFFFAOYSA-N 349.283 4.657 0 40 EJAB O=C(NCc1ccco1)c1ccc(-c2cccc(Cl)c2Cl)o1 14258535 UNAREOOJLZIIPD-UHFFFAOYSA-N 336.174 4.776 0 40 EJAB COc1ccccc1C(=O)N(Cc1cccs1)c1ccc(F)cc1 27580277 XXZYOIUEJBBYLG-UHFFFAOYSA-N 341.407 4.743 0 40 EJAB C[C@H](NC(=O)N[C@@H]1CCCC[C@H]1C)c1cccc(C(F)(F)F)c1 32863178 KINRCRIESHKJAH-TYNCELHUSA-N 328.378 4.644 0 40 EJAB Clc1ccc2c(Oc3cccc(Br)c3)ncnc2c1 32907669 JTVMJQYXSXTQRY-UHFFFAOYSA-N 335.588 4.838 0 40 EJAB Clc1cccc(Cl)c1OCc1nc(-c2cccs2)no1 40010045 LYGMUVIAQNPKFR-UHFFFAOYSA-N 327.192 4.684 0 40 EJAB COc1ccc([C@@H](C)N(C)Cc2c(C(C)C)[nH]c3ncccc23)cc1 72393731 SRVDLGNPZROZRJ-OAHLLOKOSA-N 337.467 4.888 0 40 EJAB CCc1ccc(O[C@H](CC)C(=O)N[C@H](C)c2ccc(CC)cc2)cc1 78458508 JTXBHIWRYBYLAX-IIBYNOLFSA-N 339.479 4.846 0 40 EJAB C[C@H](NC(=O)c1ccc(OC2CCCC2)cc1)[C@H]1C[C@@H]2CC[C@@H]1C2 101987508 GDIISEFXYHACFU-DKYLXPRQSA-N 327.468 4.563 0 40 EJAB CC(=O)[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CC[C@@]2(C)C1 118915088 HAAMJEYGPJBHCI-RVDICAHYSA-N 332.528 4.985 0 40 EJAB c1ccc(OCc2ccccc2CNc2ncnc3ccccc23)cc1 170632335 QQIVVISJTPAOLU-UHFFFAOYSA-N 341.414 4.821 0 40 EJAB O=C(O)CCc1ccc(OCc2ccc(Cl)cc2Cl)cc1 216925184 RITXBDHIDGTXRK-UHFFFAOYSA-N 325.191 4.590 0 40 EJAB Cc1ccccc1[C@H](C)NC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2 223414124 PWICMWFUEQKJND-IRXDYDNUSA-N 337.463 4.519 0 40 EJAB Cc1ccc(CCC(=O)NCCSc2ccc(Cl)cc2)cc1C 225087580 JXIKWFHCYWFMJQ-UHFFFAOYSA-N 347.911 4.798 0 40 EJAB O=C(O)[C@H](Cc1ccc(Cl)c(Cl)c1)Oc1ccccc1Cl 225087777 SYAOOQTUELMQFC-AWEZNQCLSA-N 345.609 4.722 0 40 EJAB CCN(Cc1ccccc1)C(=O)CCc1ccc(Cl)c(Cl)c1 225339496 JLRWNGKVSDGDIL-UHFFFAOYSA-N 336.262 4.975 0 40 EJAB C[C@H]1Cc2ccccc2N1C(=O)CCc1ccc(Cl)cc1Cl 225373547 KXIMSNOFGIZZCD-LBPRGKRZSA-N 334.246 4.904 0 40 EJAB Fc1ccc(NC(=S)Nc2ccc(OC3CCCC3)cc2)cc1 225460194 PEZXFPOFVNSLLJ-UHFFFAOYSA-N 330.428 4.956 0 40 EJAB CC[C@@H](C)Oc1ccc(NC(=O)[C@@]2(OC)CCC[C@@H](C)C2)cc1C 225637541 SLENYYWZSNJQRK-AKCHCHLHSA-N 333.472 4.706 0 40 EJAB CC(C)Oc1cccc(NC(=O)[C@@H](C)SCc2ccccc2)c1 408575315 JNSXWRKMMDADBI-OAHLLOKOSA-N 329.465 4.734 0 40 EJAB Cc1ccc(Oc2ccc(C(=O)c3ccc4c(c3)OCCO4)cc2)cc1 408617636 CWQODARLILRGEZ-UHFFFAOYSA-N 346.382 4.790 0 40 EJAB O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccccc1C(F)(F)F 96412 UOPRJVAYCMUYSD-UHFFFAOYSA-N 347.258 4.905 0 40 EJAB CN1/C(=C\C(=O)Nc2ccccc2Cl)c2ccccc2CC1(C)C 343562 BKODZKLRAMRNNE-PDGQHHTCSA-N 340.854 4.586 0 40 EJAB Cc1ccc(C)c(/C=C2/N=C(c3cccc4ccccc34)OC2=O)c1 478006 SCHSRJRETITZEI-DEDYPNTBSA-N 327.383 4.801 0 40 EJAB CCOC(=O)c1c(-c2cccs2)csc1NC(=O)C(C)(C)C 503811 FVUPQJWXWDAYEV-UHFFFAOYSA-N 337.466 4.638 0 40 EJAB COc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCCC3 507198 OUJYZDRJNVHLEE-UHFFFAOYSA-N 347.443 4.794 0 40 EJAB CC(C)C[C@H](N)c1nnc(SCc2ccc(Cl)c(Cl)c2)o1 1263610 CEEIYBLGAPYOQV-LBPRGKRZSA-N 346.283 4.715 0 40 EJAB O=S(=O)(Oc1ccc(C2CCCCC2)cc1)c1ccc(F)cc1 1890049 HNYBPDZJIQHVHU-UHFFFAOYSA-N 334.412 4.641 0 40 EJAB CCc1ccc(Nc2ncc3c(n2)C[C@@H](c2cccs2)CC3=O)cc1 2426816 WVSIXUZOJZPXGE-CQSZACIVSA-N 349.459 4.757 0 40 EJAB CCCC(=O)Nc1scc(-c2ccc(Cl)cc2)c1C(=O)OC 2889594 IZRPXALTMCMPBB-UHFFFAOYSA-N 337.828 4.594 0 40 EJAB COc1cccc(-n2c(-c3ccccc3)cn3c4ccccc4nc23)c1 3290244 KINVHHSQUBRGBM-UHFFFAOYSA-N 339.398 4.954 0 40 EJAB CC(C)OCCCNC(=S)Nc1ccc(Oc2ccccc2)cc1 3765097 DHXZJZZEUBPGPL-UHFFFAOYSA-N 344.480 4.580 0 40 EJAB Cc1c(Cl)ccc2sc(NC(=O)c3ccc(N(C)C)cc3)nc12 4253469 ICMSVHGXXYCPPJ-UHFFFAOYSA-N 345.855 4.576 0 40 EJAB Cn1c(-c2cccc(Cl)c2)cn2cc(-c3ccc(F)cc3)nc12 4678281 IJJGVKQLNYMSPB-UHFFFAOYSA-N 325.774 4.799 0 40 EJAB Cc1cccc(C)c1NC(=O)COc1ccc2c(c1)[nH]c1ccccc12 5498109 FAVZWPSNUHUTCA-UHFFFAOYSA-N 344.414 4.955 0 40 EJAB O=C1CCCC2=C1C(c1cccc3ccccc13)C1=C(CCCC1=O)O2 5604994 NGSQUYKRQMSIJD-UHFFFAOYSA-N 344.410 4.968 0 40 EJAB CCc1nn2c(-c3ccccc3OC)ccnc2c1-c1ccc(F)cc1 6760436 VEWXETAVCSGKAK-UHFFFAOYSA-N 347.393 4.773 0 40 EJAB Cc1nn2c(nc(NC3CCCCCC3)c3ccccc32)c1Cl 7736629 ADEKSVAJLJLISR-UHFFFAOYSA-N 328.847 4.979 0 40 EJAB COc1ccc2cc(CN(C)C(=O)c3cccc(Cl)c3)ccc2c1 8324938 QSTGGAKVVXQKQZ-UHFFFAOYSA-N 339.822 4.774 0 40 EJAB O=C(Nc1nc(-c2cccs2)cs1)c1ccc2c(c1)CCC2 9449182 ZNAHUPXIWRKEBO-UHFFFAOYSA-N 326.446 4.613 0 40 EJAB Cc1ccccc1-c1cc(=O)c2cc(NC(=O)c3ccco3)ccc2o1 9659963 JKAGLSBIJBDPID-UHFFFAOYSA-N 345.354 4.614 0 40 EJAB biogenic CCc1ccc(CCC(=O)Nc2cccc(Br)c2)cc1 10337511 OLMBPOPAZCSKJV-UHFFFAOYSA-N 332.241 4.583 0 40 EJAB Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc2ccccc2c1 12823365 JVRRKFHJNPGJBN-UHFFFAOYSA-N 342.398 4.984 0 40 EJAB Cc1ccc(OCC(=O)Nc2nc3c(C)ccc(C)c3s2)c(C)c1 14258021 SANOKRDYCDDKQX-UHFFFAOYSA-N 340.448 4.547 0 40 EJAB CCOc1ccc(SCC(=O)Nc2ccccc2SC)cc1 16168357 JSTYNOBDNMRHQS-UHFFFAOYSA-N 333.478 4.538 0 40 EJAB Cc1ccc(-c2noc(CCC(=O)Nc3ccc(C(C)C)cc3)n2)cc1 18944537 TZTKDQDYOIRTQL-UHFFFAOYSA-N 349.434 4.740 0 40 EJAB Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN([C@H](C)c1ccccc1)C3 20609870 NOWIEVGAHHVHMC-MRXNPFEDSA-N 349.430 4.631 0 40 EJAB biogenic CC1=C(C)c2cccc[n+]2/C1=C\C=C\C=C1\C(C)=C(C)c2cccc[n+]21 31949877 WTSOMBFUKCBEQS-WSBPYBAJSA-N 340.470 4.814 0 40 EJAB S=C1NC2=C(CCC/C2=C/c2ccccc2)[C@H](c2ccccc2)N1 57531541 OIWFTKSWHDPJCN-FCUDFIOSSA-N 332.472 4.727 0 40 EJAB COc1cccc([C@H]2CCCN2C(=O)Nc2ccc3[nH]ccc3c2)c1 71803344 DTSLPTSTZRJSHT-LJQANCHMSA-N 335.407 4.546 0 40 EJAB O=C(Cn1ccc2ccccc21)NCc1ccccc1-c1ccsc1 96122928 BGKKESZQIJVCSQ-UHFFFAOYSA-N 346.455 4.686 0 40 EJAB CCOCc1ccccc1NC(=O)N(CC)[C@@H](CC)c1ccncc1 96418003 XHHCMKOTLOCWRO-IBGZPJMESA-N 341.455 4.623 0 40 EJAB O=C1/C(=C/c2ccc3c(c2)OCO3)c2ccccc2N1c1ccccc1 136393980 YABKOSBVCYSVGV-LDADJPATSA-N 341.366 4.634 0 40 EJAB CCc1ccccc1NC(=O)c1cccc(Nc2nc(C)cc(C)n2)c1 170580173 CHRRHGFTHQNGKI-UHFFFAOYSA-N 346.434 4.652 0 40 EJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(F)c(F)c1 216394591 ZOHOLICWLQETKS-GOSISDBHSA-N 341.357 4.914 0 40 EJAB C[C@@H](NC(=O)CCSCc1ccccc1)c1ccc2c(c1)CCC2 223208242 CQTQMUMQWXZCEG-MRXNPFEDSA-N 339.504 4.676 0 40 EJAB CCOc1ccc(C(=O)Nc2ccccc2OC(C)C)cc1Cl 224144231 VYDYHXVCFNXLSI-UHFFFAOYSA-N 333.815 4.778 0 40 EJAB O=C(O)[C@H](Cc1ccccc1Cl)Oc1cccc2ccccc12 225057091 RNLWKKDPUIUFOA-SFHVURJKSA-N 326.779 4.568 0 40 EJAB Cc1cccc(CCCNC(=S)Nc2ccc(C)c(Cl)c2)c1 225391658 WWVUWNFLOMUJEC-UHFFFAOYSA-N 332.900 4.876 0 40 EJAB Cc1ccc([C@@H](NC(=O)Cc2ccc(F)cc2)c2ccccc2)c(C)c1 225399788 SZKRGPVGNFTSHP-QHCPKHFHSA-N 347.433 4.891 0 40 EJAB CSc1ccccc1C(=O)N[C@H](C)Cc1cc2ccccc2o1 253472708 OONORHSINXBDJC-CYBMUJFWSA-N 325.433 4.516 0 40 EJAB COc1ccc2c(c1)CCc1sc(=Nc3cccc(Cl)c3)[nH]c1-2 408887514 OZVFMFANAJKQFR-UHFFFAOYSA-N 342.851 4.736 0 40 EJAB CCOC(=O)N[C@H]1Cc2ccccc2[C@@H]1Sc1ccc(Cl)cc1 3047689 NVJOKZZYFMPHNR-IRXDYDNUSA-N 347.867 4.844 0 40 EJAB Cc1cs/c(=N/c2ccc(Cl)c(Cl)c2)n1C[C@H]1CCCO1 3277254 SMJWQSAEWBKNKT-JIUKNFRESA-N 343.279 4.576 0 40 EJAB CC(C)(C)c1csc(NC(=O)c2cccc(C(F)(F)F)c2)n1 3328578 OSYSBVZRNWAXMP-UHFFFAOYSA-N 328.359 4.712 0 40 EJAB COc1cccc(NC(=S)N[C@@H](C)c2ccc(CC(C)C)cc2)c1 3348738 QIFIFZDOTWJFJU-HNNXBMFYSA-N 342.508 4.941 0 40 EJAB CCOc1ccccc1NC(=O)[C@@H](Nc1ccccc1)c1ccccc1 5118952 XSFJJYWMQUSDFN-NRFANRHFSA-N 346.430 4.877 0 40 EJAB CCN(Cc1ccccc1)Cc1c(C)[nH]c2c(Cl)cccc2c1=O 5799499 LIFJDZNUDFLPPW-UHFFFAOYSA-N 340.854 4.512 0 40 EJAB Cc1cc(C(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)c(C)o1 8342708 ZUMNHHSVLJMNST-UHFFFAOYSA-N 329.783 4.740 0 40 EJAB CCc1ccc(C(=O)NC(=S)Nc2cccc3ccccc23)cc1 9064174 YTTVDJGPPVFYLI-UHFFFAOYSA-N 334.444 4.529 0 40 EJAB COc1ccc(-c2cc(NC(=O)Cc3ccccc3)ccc2OC)cc1 9691062 XXERWBHHHFQOFG-UHFFFAOYSA-N 347.414 4.552 0 40 EJAB COc1cccc(C(=O)Nc2ccc(OC)c(Cc3ccccc3)c2)c1 12855639 YBOBGEXCTVDSCF-UHFFFAOYSA-N 347.414 4.547 0 40 EJAB CN(C)C1(CNC(=O)Nc2cccc3ccccc23)CCCCCC1 12862143 HQZSWGLVZYSCSX-UHFFFAOYSA-N 339.483 4.616 0 40 EJAB CCC(=O)Nc1ccc(-c2nc(-c3ccc(F)cc3)cs2)cc1 12887866 YPIVGJUBYPAACK-UHFFFAOYSA-N 326.396 4.965 0 40 EJAB Cc1nc2ccc(NC(=O)c3ccc(C)c(-n4cccc4)c3)cc2s1 14772601 SFJJCNNBOFNKFE-UHFFFAOYSA-N 347.443 4.956 0 40 EJAB CCCc1nnc2sc(-c3cccc4c(Cl)cccc34)nn12 15423449 JULNEQCBYRHGLU-UHFFFAOYSA-N 328.828 4.612 0 40 EJAB CCc1ccc(Nc2ncc3c(n2)C[C@@H](c2ccccc2)CC3=O)cc1 18158989 CGICSRTXFXGLON-QGZVFWFLSA-N 343.430 4.695 0 40 EJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)c1cc(C)ccc1C 20045812 UIIJJMSQXNSCKY-DNVCBOLYSA-N 345.870 4.992 0 40 EJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccccc1C 20106191 SWVOEJNUGXRTFU-QGZVFWFLSA-N 333.884 4.836 0 40 EJAB COc1ccc([C@H]2N=C(c3ccccc3)[C@@H]3[C@@H](c4ccccc4)N32)cc1 25586545 NUTTVNZGHVOMQV-GOCUUSFJSA-N 340.426 4.622 0 40 EJAB FC(F)(F)c1cc(-c2ccccc2)nc(SCc2ccncc2)n1 36242311 JEWPKIIAAICOET-UHFFFAOYSA-N 347.365 4.850 0 40 EJAB C[C@@H](NC(=O)c1cccc(OCc2cccs2)c1)c1ccccc1 40088741 DWXHVAVLSDAVDR-OAHLLOKOSA-N 337.444 4.818 0 40 EJAB Cc1ncc(-c2ccc(NC(=O)c3ccccc3OC(F)F)cc2)o1 43965812 OWEFOXGHWVJNCG-UHFFFAOYSA-N 344.317 4.504 0 40 EJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N[C@@H](C)c1ccc(C)cc1C 44839184 SMWOPRXXKCGPRJ-GHTZIAJQSA-N 339.479 4.955 0 40 EJAB Cc1cc(=S)[nH]cc1[C@H]1CCCCN1C(=O)OCc1ccccc1 72218351 ZUKRPCNPPNNPLO-QGZVFWFLSA-N 342.464 4.916 0 40 EJAB Cc1cc(C)n(CC2CCN(Cc3cccc4ccccc34)CC2)n1 75154724 KGTASYDBHRMMIA-UHFFFAOYSA-N 333.479 4.565 0 40 EJAB Cc1oc(-c2cccs2)nc1C[S@@](=O)[C@H](C)c1ccc(F)cc1 84056809 GCEIQOIHQCWCHU-SPSFWMDKSA-N 349.452 4.861 0 40 EJAB Cc1cnc([C@H](C)N[C@H](C)c2ccc(F)cc2OC(F)F)s1 95969010 VULRKBJRUJEOHP-ZJUUUORDSA-N 330.375 4.604 0 40 EJAB CC1(C)[C@@H]2CC[C@]1(C)[C@H](NC(=O)Cc1cccc(C(F)(F)F)c1)C2 103028927 FFEBWNABOOCVNZ-DDUZABMNSA-N 339.401 4.579 0 40 EJAB CCOc1ccccc1NC(=O)[C@@H](CC)Oc1ccc(Cl)c(C)c1 113970557 ABWPJEQCILBKQR-QGZVFWFLSA-N 347.842 4.843 0 40 EJAB CC[C@H](NC(=O)COc1cccc2c1CCCC2)c1ccccc1C 222710287 AQNMLSZDVUTNDI-FQEVSTJZSA-N 337.463 4.520 0 40 EJAB CCSc1ccccc1NC(=O)CSCc1cccc(C)c1 222744300 WIUZCDHCFRGFDB-UHFFFAOYSA-N 331.506 4.979 0 40 EJAB CCc1ccc([C@@H](C)NC(=O)[C@@H](CC)Oc2ccc(C)cc2C)cc1 223392190 XSISOVUNXPGCHO-YLJYHZDGSA-N 339.479 4.901 0 40 EJAB CCc1ccc(OCCNC(=O)c2ccc(-c3ccccc3)cc2)cc1 223445726 LIXQGNJGNXQNPE-UHFFFAOYSA-N 345.442 4.725 0 40 EJAB C[C@@H](NC(=S)Nc1ccc2sncc2c1)c1ccc(Cl)cc1 225173747 RUUBHLRMSYZESC-SNVBAGLBSA-N 347.896 4.997 0 40 EJAB COc1ccc(C)cc1NC(=O)CCc1c(Cl)cccc1Cl 225347329 OIMINAJGHHVTGZ-UHFFFAOYSA-N 338.234 4.882 0 40 EJAB CC[C@@H](NC(=O)Cc1cccc(Br)c1)c1ccccc1C 225622900 LQRUEOCSCMDYHY-QGZVFWFLSA-N 346.268 4.568 0 40 EJAB O=C(CCCc1ccccc1)NCc1ccc(-c2ccsc2)o1 575610957 RORVTBSEHRFKLY-UHFFFAOYSA-N 325.433 4.647 0 40 EJAB C[C@@H](C(=O)Nc1nc2ccccc2[nH]1)c1c(Cl)cccc1Cl 624800393 VCXWMMYISFSEPQ-SECBINFHSA-N 334.206 4.612 0 40 EJAB Cc1ccccc1NC(=O)Nc1ccccc1C(=O)Nc1ccccc1 453915 LOLIRAROXNWALL-UHFFFAOYSA-N 345.402 4.891 0 40 EJAB CCOc1ccc(C(=O)Nc2cc(C(C)(C)C)ccc2OC)cc1 2650935 HMQCDEYJVCBPEQ-UHFFFAOYSA-N 327.424 4.644 0 40 EJAB Cc1ccc(C(=O)n2nc(C)c(Sc3ccc(F)cc3)c2C)cc1 2685893 JZPVEIFKNWLIES-UHFFFAOYSA-N 340.423 4.787 0 40 EJAB C[C@@H](Cc1ccccc1)NCCCCCN[C@@H](C)Cc1ccccc1 3058790 VYPSZCHCIAMVOW-SFTDATJTSA-N 338.539 4.598 0 40 EJAB O=C(Nc1nc2c(s1)CCc1ccccc1-2)c1cccc(Cl)c1 4070830 PGMAUMYWSDMWJI-UHFFFAOYSA-N 340.835 4.814 0 40 EJAB CSc1ccc(C(=O)Nc2nc3ccc(SC)cc3s2)cc1 5299201 PWNTVFJTOXEQEJ-UHFFFAOYSA-N 346.502 4.992 0 40 EJAB CC(=O)NCC[C@@H]1[C@H](c2c(C)n(C)c3c2ccc2ccccc23)C1(C)C 5478424 UPSGZPSERZFAKQ-TZIWHRDSSA-N 348.490 4.906 0 40 EJAB O=C(CCc1ccccc1)Nc1nc(-c2ccc(F)c(F)c2)cs1 6219545 ZWIJKOBAJNSAJN-UHFFFAOYSA-N 344.386 4.660 0 40 EJAB CCc1ccc(CN(Cc2ccco2)C(=O)c2cccc(OC)c2)cc1 6747417 NBFCFVMYKIALRS-UHFFFAOYSA-N 349.430 4.693 0 40 EJAB O=C(/C(=C/c1ccccc1)c1ccccc1)N1CCc2ccccc21 6927193 RTPDHJGXSAMFGA-HEHNFIMWSA-N 325.411 4.817 0 40 EJAB CSc1ccccc1NC(=O)CSCc1ccc(Cl)cc1 7483610 GKJKNCZGEXTHHY-UHFFFAOYSA-N 337.897 4.934 0 40 EJAB C[C@@H](NC(=O)c1ccccc1Br)c1ccc(Cl)cc1 7644663 IBBWGUNPNNPXII-SNVBAGLBSA-N 338.632 4.594 0 40 EJAB Cc1cc(C(=O)Nc2ccc(C)c(Cl)c2)c2cnn(C(C)C)c2n1 10808809 UDHPVGIFJQXPBS-UHFFFAOYSA-N 342.830 4.535 0 40 EJAB Cc1ccc(C(C)C)c(OCC(=O)N[C@@H](c2ccccc2)C2CC2)c1 11207450 AILLTVUAHVLTBV-QFIPXVFZSA-N 337.463 4.765 0 40 EJAB Clc1ccc2oc(-c3ccccc3)c/c(=N\C[C@@H]3CCCO3)c2c1 12374217 BPXYYHNYOVWVCL-KDCJFMNISA-N 339.822 4.833 0 40 EJAB Cc1ccc(NC(=O)/C=C/c2cccc(Br)c2)c(F)c1 12787689 NSFZCBHLFWXJRF-SOFGYWHQSA-N 334.188 4.549 0 40 EJAB CCCCOc1ccccc1C(=O)Nc1ccccc1Br 14032025 YTWQLEHGKQUXBB-UHFFFAOYSA-N 348.240 4.880 0 40 EJAB Cc1ccc(C)c2nc3c(cc12)CN(Cc1cccc(F)c1)C(=O)O3 19134684 QJYXECIZPXNDAM-UHFFFAOYSA-N 336.366 4.505 0 40 EJAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N[C@H]1CCCc2ccccc21 20104405 WIBLHNZCIMAKCV-VQTJNVASSA-N 337.463 4.655 0 40 EJAB COC(=O)/C=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 20133946 MAWKNPIUJHZWEY-WEVVVXLNSA-N 337.202 4.759 0 40 EJAB COc1ccc([C@@H](C)NC(=O)c2cc(SC)ccc2Cl)cc1 20551169 MTHNCEUDUFJLKV-LLVKDONJSA-N 335.856 4.562 0 40 EJAB c1ccc(CN[C@H](c2ccc3c(c2)CCCC3)c2cccs2)nc1 22745002 ZEUBLZWKWOPMMZ-OAQYLSRUSA-N 334.488 4.901 0 40 EJAB C[C@H]1CCCN(C(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)C1 24991805 QKBXOTJFTLEFLK-LBPRGKRZSA-N 337.341 4.838 0 40 EJAB C[C@H](NC(=O)c1cccc2ncccc12)c1ccc(C(F)(F)F)cc1 30114826 KMGPWROYYNTSML-LBPRGKRZSA-N 344.336 4.745 0 40 EJAB CS[C@H](C)C(=O)Nc1cccc(-c2nc3ccccc3s2)c1 31701248 VMKMQZTVJBGWGV-LLVKDONJSA-N 328.462 4.653 0 40 EJAB COc1ccc([C@H](CC(C)C)NC(=O)Cc2ccc(Cl)cc2)cc1 44845015 WVSNCQFPRFGSFE-IBGZPJMESA-N 345.870 4.795 0 40 EJAB Cc1ccc2c(Nc3ccc(C)c(C)c3)c(-c3nc(C)no3)cnc2n1 49420740 OZKDFYDYXLCDPU-UHFFFAOYSA-N 345.406 4.657 0 40 EJAB Cc1ccc(O[C@@H](C)C(=O)N[C@@H](C)c2cc(C)ccc2C)c(C)c1 59351565 REAVJIRLOUKMIR-ROUUACIJSA-N 325.452 4.565 0 40 EJAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N[C@@H]1CCc2ccccc21 61608931 ZEOJTQRXOLIDOR-MSOLQXFVSA-N 338.451 4.588 0 40 EJAB O=C(Nc1ccc(F)cc1-c1ccc(Cl)cc1)C1CCOCC1 69817069 ZPAPJXADTHURMZ-UHFFFAOYSA-N 333.790 4.511 0 40 EJAB CC(C)c1cnc(-c2ccc(NC(=O)[C@H]3C[C@H]3c3cccnc3)cc2)o1 71909708 IGBKDDCGSDWKMD-ROUUACIJSA-N 347.418 4.602 0 40 EJAB COc1ccc(-c2cc(-c3ccc(Cl)c(Cl)c3)nc(N)n2)cc1 71977907 WZUKOWJCSBDNQS-UHFFFAOYSA-N 346.217 4.708 0 40 EJAB C[C@@H](NCc1ccc(OC(F)F)c(F)c1)c1csc(C2CC2)n1 95437373 JCFBFZQAUJDKHM-SECBINFHSA-N 342.386 4.612 0 40 EJAB Cc1ccc(OCC(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c(C(C)(C)C)c1 108883866 OWXUMEOFCLZJEU-VSZNYVQBSA-N 343.511 4.612 0 40 EJAB O=C(CCCSc1ccc(Cl)cc1)NCCc1ccccc1 222681520 RKASLVNHWGBRTG-UHFFFAOYSA-N 333.884 4.571 0 40 EJAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1cccc(SC)c1 222952414 UFFHWWAXNCAAAC-QGZVFWFLSA-N 329.465 4.821 0 40 EJAB CCCC[C@H](C(=O)OC)N1c2cc(OC)ccc2[C@@H](C)CC1(C)C 223227488 AIDBFBKFOLNUAO-WMLDXEAASA-N 333.472 4.519 0 40 EJAB Cc1ccc(CN2CCC(C(=O)NC(C)(C)CC(C)(C)C)CC2)cc1 224530300 CGPTUBHIDULQDI-UHFFFAOYSA-N 344.543 4.538 0 40 EJAB Cc1cc(C)c(C)c(O[C@@H](Cc2ccc(Cl)cc2C)C(=O)O)c1 225075021 WIIXLUXPPSKABG-SFHVURJKSA-N 332.827 4.648 0 40 EJAB Cc1ccc2c(c1)[C@H](NC(=O)Cc1ccccc1Cl)CC(C)(C)O2 225440313 XGUKRLGRZOLLNY-QGZVFWFLSA-N 343.854 4.610 0 40 EJAB CCOc1cccc(NC(=S)N[C@H](CC)c2ccc(C)cc2)c1 225484486 VCYSAXHQPFYVRA-GOSISDBHSA-N 328.481 4.831 0 40 EJAB Cc1cccc([C@H]2CCCN2C(=O)CC2CC(c3ccccc3)C2)n1 225608125 OTHWWBGHEWSHFZ-CNBHCMJISA-N 334.463 4.637 0 40 EJAB CCCO[C@@](C)(C(=O)Nc1ccc(OC2CCCC2)cc1)C1CC1 225671054 KOKLXAMBKNZNDF-HXUWFJFHSA-N 331.456 4.542 0 40 EJAB CCCO[C@](C)(C(=O)Nc1ccc(O[C@H](C)CC)c(C)c1)C1CC1 225673630 WKVIPSOZPWCXHQ-QRWLVFNGSA-N 333.472 4.706 0 40 EJAB Cc1c(NC(=O)c2nc3ccccc3cc2C2CC2)n[nH]c1C(C)C 899208218 XUODCMZFUWBVIF-UHFFFAOYSA-N 334.423 4.519 0 40 EJAB C[C@@H](NC(=O)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1ccccc1 1675831247 JLJFRDQMLDUZIA-MZMPZRCHSA-N 328.843 4.646 0 40 EJAB O=C(NCCC1=CCCCC1)C1c2ccccc2Oc2ccccc21 204720 VJIVMLQQCKSJBM-UHFFFAOYSA-N 333.431 4.931 0 40 EJAB c1ccc(N2[C@H]3Sc4ncccc4[C@@H]2Sc2ncccc23)cc1 344328 RLVYHVVWFIJYPG-ROUUACIJSA-N 335.457 4.892 0 40 EJAB Cc1ccc2cccc(OCc3ccc(Br)cc3)c2n1 576101 NBCZVMLLGMNWAK-UHFFFAOYSA-N 328.209 4.885 0 40 EJAB O=C(Nc1ccc(Oc2cnc3ccccc3n2)cc1)c1ccccc1 1384811 JQWGUJUDZWPHGB-UHFFFAOYSA-N 341.370 4.674 0 40 EJAB COc1ccc(C(=O)Nc2ccccc2[C@H]2CC2(Cl)Cl)cc1 1424765 YNHIDRXDQADZHF-CQSZACIVSA-N 336.218 4.609 0 40 EJAB CCCCc1cc(=O)oc2c3c(ccc12)OCN(c1cccc(C)c1)C3 2126003 HKFSDTFONDSOOV-UHFFFAOYSA-N 349.430 4.801 0 40 EJAB biogenic CC(C)(C)c1ccc(/C=C2\N=C(c3cccc(Cl)c3)OC2=O)cc1 3068702 UVCDGUTUIMFFRU-BOPFTXTBSA-N 339.822 4.982 0 40 EJAB CCOc1ccccc1C(=O)OCc1c(Cl)cccc1Cl 3262235 DCDGGCGHCQEIBI-UHFFFAOYSA-N 325.191 4.749 0 40 EJAB COc1ccc(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)cc1Cl 3347501 VTWSGIAAPQKYDB-UHFFFAOYSA-N 328.799 4.699 0 40 EJAB Cc1cc2c(cc1C)[C@H](c1ccc(C)c(Br)c1)CC(=O)N2 4912332 RKRNPIKBOSLFJU-AWEZNQCLSA-N 344.252 4.848 0 40 EJAB CC(=O)N1c2cc(C)cc(C)c2[C@H]2OCC[C@H]2[C@H]1c1cccs1 5050571 NOCGPOGIVZUDDQ-JVPBZIDWSA-N 327.449 4.550 0 40 EJAB CSc1ccccc1NC(=O)COc1ccc(C(C)(C)C)cc1 5471490 RAFXKYSMTJWWSF-UHFFFAOYSA-N 329.465 4.724 0 40 EJAB Cc1ccc(N2C(=O)N(Cc3cccc4ccccc34)C(=O)[C@H]2C)cc1 6602567 NOAVNCNWVWLXRS-MRXNPFEDSA-N 344.414 4.506 0 40 EJAB Cc1ccc(-c2cc(C(=O)O)c3ccc(Br)cc3n2)cc1 6845936 CYUGXPBBPORCAF-UHFFFAOYSA-N 342.192 4.671 0 40 EJAB Cc1ccccc1-c1n(O)c(-c2ccccc2)c(-c2ccccc2)[n+]1[O-] 6925267 REPJTWFOYLSKPS-UHFFFAOYSA-N 342.398 4.668 0 40 EJAB Cc1cc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)c(C)o1 8394394 DAJHYMLSJBCKBB-UHFFFAOYSA-N 331.375 4.692 0 40 EJAB C[C@H]1CCN(C(=O)/C=C/c2ccc(F)cc2)c2ccccc2S1 8490225 KCKAIPRBAGGXCT-ZHZWZMEUSA-N 327.424 4.756 0 40 EJAB Fc1cccc(CNc2ncc(-c3ccncc3)c(-c3ccco3)n2)c1 12338401 LQMDJNCXECEPQB-UHFFFAOYSA-N 346.365 4.550 0 40 EJAB CCCOc1ccc(C(=O)N[C@@H]2CCSc3ccc(F)cc32)cc1 15199630 MEVYZWATGFOQJR-QGZVFWFLSA-N 345.439 4.581 0 40 EJAB Cc1ccc2oc(C(=O)Nc3nc4c(s3)C[C@@H](C)CC4)c(C)c2c1 15833260 JLVYXOMMMOHPQC-NSHDSACASA-N 340.448 4.883 0 40 EJAB CC[C@@H](C)c1ccccc1O[C@H](C)C(=O)Nc1ccc(Cl)c(N)c1 19736698 MYFXIFSWODZJOP-CHWSQXEVSA-N 346.858 4.842 0 40 EJAB COc1cc2ccccc2cc1C(=O)Nc1ccc(OC(C)C)cc1 20112624 SNTJWLQWCNAXRL-UHFFFAOYSA-N 335.403 4.888 0 40 EJAB CCCCCc1ccc(NC(=O)c2cc3ccccc3c(=O)[nH]2)cc1 23003706 BJSDDOZVAIIUON-UHFFFAOYSA-N 334.419 4.513 0 40 EJAB C[C@H](NCc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1Cl 23218107 CLOIJYXXNRJLRC-NSHDSACASA-N 348.233 4.894 0 40 EJAB CN(C(=O)n1c(Cc2ccccc2)nc2ccccc21)c1ccccc1 28051420 VILYCKCSWJSGQD-UHFFFAOYSA-N 341.414 4.732 0 40 EJAB C[C@H](NC(=O)c1cccc(C(F)(F)F)c1)c1ccc(Cl)s1 32039107 QBDGIKQTAXVELN-QMMMGPOBSA-N 333.762 4.911 0 40 EJAB COc1ccc(Br)cc1NC(=O)c1c(C)cc(C)cc1C 49571943 ISKRCOSGUQVCRW-UHFFFAOYSA-N 348.240 4.635 0 40 EJAB Cc1cc2oc(C(=O)Nc3ccc(Cl)cc3)cc(=O)c2cc1Cl 72238580 UCFIROWXNRBUQR-UHFFFAOYSA-N 348.185 4.661 0 40 EJAB O=C(Nc1c(F)cccc1F)N(Cc1ccoc1)Cc1cccs1 90748110 XUCNCYXDRAGLPU-UHFFFAOYSA-N 348.374 4.854 0 40 EJAB O=[S@](Cc1cccc(NC2CCCCCCC2)c1)C1CCOCC1 92170065 SYWKWQMMTNXUKU-DEOSSOPVSA-N 349.540 4.639 0 40 EJAB CC(C)n1ncc2c1N=C(O)CS[C@@H]2c1c(F)cccc1Cl 95475050 MQVGXHDJZJSPOO-AWEZNQCLSA-N 339.823 4.681 0 40 EJAB Cc1ccc([C@H](C)NC(=O)COc2ccccc2C(C)(C)C)cc1 222799212 FOQCASFTPPZVRP-INIZCTEOSA-N 325.452 4.549 0 40 EJAB CC(C)c1ccc(OCC(=O)NCc2cccc3ccccc23)cc1 222864224 LPCUIVMXDPHDHE-UHFFFAOYSA-N 333.431 4.658 0 40 EJAB COC(=O)c1ccc(CN2c3ccc(C)cc3C(C)=CC2(C)C)o1 223230484 FJOMAGJBKFPVCX-UHFFFAOYSA-N 325.408 4.577 0 40 EJAB COc1ccc(C(=O)NC(C)(C)C)cc1CSc1ccc(C)cc1 224333301 ASOUKPGMZSUJQY-UHFFFAOYSA-N 343.492 4.824 0 40 EJAB CC(C)c1ccccc1O[C@@H](C)C(=O)NC(C)(C)Cc1ccccc1 224761650 SZFINPVCJRSJDS-KRWDZBQOSA-N 339.479 4.715 0 40 EJAB CCc1ccc(CCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 224884914 RTOCSLLQGQTRRI-UHFFFAOYSA-N 337.341 4.719 0 40 EJAB CCOC(=O)c1cccc(NC(=S)Nc2ccc(Cl)cc2)c1C 225463759 DYJWAQNXBSHJQP-UHFFFAOYSA-N 348.855 4.634 0 40 EJAB O=C(NC[C@H](O)c1cccc2ccccc12)c1cc2ccccc2s1 225617920 INRDQJGSZKFHAB-SFHVURJKSA-N 347.439 4.518 0 40 EJAB O=C(Nc1cccc(Cl)c1)/C(Br)=C/c1ccccc1 113610 NSFPBGWHXBSBMG-ZROIWOOFSA-N 336.616 4.715 0 40 EJAB O=C1OC(c2ccc(Cl)cc2)=N/C1=C/c1ccc2ccccc2c1 176681 PLLMZLWAMXAURY-LDADJPATSA-N 333.774 4.838 0 40 EJAB Cc1ccccc1S(=O)(=O)Nc1ccccc1Oc1ccccc1 383763 QICZNQYPTLUDKU-UHFFFAOYSA-N 339.416 4.588 0 40 EJAB Cc1cccc(NC(=O)[C@H](C)n2c(C(F)(F)F)nc3ccccc32)c1 1394813 WVTIOKNGZQGZEJ-LBPRGKRZSA-N 347.340 4.563 0 40 EJAB CC(=O)Nc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1 2650934 LFHUBVJNNXNCOX-UHFFFAOYSA-N 346.386 4.690 0 40 EJAB C[P@@](=O)(Nc1cccc(Br)c1)Oc1ccccc1 3123434 KGMWKMUJQBUXTD-SFHVURJKSA-N 326.130 4.763 0 40 EJAB CC(C)=C[C@H]1[C@@H](C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)C1(C)C 4753548 ITSBNEWNJSOISB-CTUUDFOISA-N 329.528 4.946 0 40 EJAB COc1ccc([C@H](c2ccc(OC)c(OC)c2)c2ccc(C)o2)cc1 4860783 ZMTNHIWTYNXBAI-OAQYLSRUSA-N 338.403 4.794 0 40 EJAB CCN(CC)c1ccc(NC(=O)CNc2ccc3ccccc3c2)cc1 5934617 JKALMVUVEMGQOG-UHFFFAOYSA-N 347.462 4.737 0 40 EJAB C[C@@H](NC(=O)CSC/C=C/c1ccccc1)c1ccccc1Cl 7150374 HEJFEDCCZAKDGS-JOZWUWCOSA-N 345.895 4.964 0 40 EJAB O=C(Nc1nc2ccc(Cl)cc2s1)c1ccc2ccccc2n1 7486037 IYMXIWAJCXNMBS-UHFFFAOYSA-N 339.807 4.750 0 40 EJAB CCSc1nnc(-c2ccc(OC)cc2)n1[C@@H]1CCCC[C@H]1C 7780508 FENCPVBIEMKQNK-CZUORRHYSA-N 331.485 4.817 0 40 EJAB Clc1ccc(-c2nc(NCc3ccccn3)nc3ccccc23)cc1 11692716 HLSUNYVPYDRVFJ-UHFFFAOYSA-N 346.821 4.957 0 40 EJAB Cc1nc(Oc2cccnc2)c2c(-c3cccs3)csc2n1 12517111 PMLNJURGIBVQAM-UHFFFAOYSA-N 325.418 4.916 0 40 EJAB CC(C)n1cc(C(=O)c2ccccc2O)cc1-c1nc2ccccc2o1 12810182 UAROSXNHSUKEMZ-UHFFFAOYSA-N 346.386 4.814 0 40 EJAB Cc1c(C(=O)N[C@H]2CCOc3ccccc32)oc2ccc(Cl)cc12 14160396 CZWDHOSPPTUFQM-HNNXBMFYSA-N 341.794 4.648 0 40 EJAB O=C(Nc1c(Cl)cccc1Cl)c1ccc(OC(F)F)cc1 14230837 JNJDMXJXZBGTGU-UHFFFAOYSA-N 332.133 4.847 0 40 EJAB Cc1[nH]c2ccc(C(=O)N(C)Cc3cccc(Cl)c3)cc2c1C 18008521 ISWXHHMDDUHZIZ-UHFFFAOYSA-N 326.827 4.710 0 40 EJAB CC(C)c1ccc(CNc2ccc(OC[C@H]3CCCO3)cc2)cc1 19738237 KCTIKNRQBBNLDS-OAQYLSRUSA-N 325.452 4.980 0 40 EJAB O=C(N[C@H]1CCSc2c(F)cccc21)c1cc2c(s1)CCCC2 28043536 GRMSDYDBLPUCRW-AWEZNQCLSA-N 347.480 4.733 0 40 EJAB CC(C)=C[C@H]1[C@@H](C(=O)Nc2cccc(-c3ccnc(C)n3)c2)C1(C)C 31800554 PVMHWBYPJBYGBG-HKUYNNGSSA-N 335.451 4.629 0 40 EJAB CC(C)(C)C(=O)Nc1ccc(Cl)c(-c2nc3cnccc3o2)c1 32092879 NKEMQHYTDPFFGH-UHFFFAOYSA-N 329.787 4.528 0 40 EJAB Cc1cccc2[nH]cc(C3=CCN(C(=O)CCc4ccccc4)CC3)c12 32318580 VOAAYFQIRFELRF-UHFFFAOYSA-N 344.458 4.725 0 40 EJAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(OC)cc1 38756382 PJVQWZHPHUDWMT-IBGZPJMESA-N 335.403 4.645 0 40 EJAB CCC[C@@H](C)NC(=O)Nc1ccc(Sc2nc(C)cs2)cc1 39564089 WRCWQGPDORCBDE-LLVKDONJSA-N 335.498 4.913 0 40 EJAB O=C(c1cc(Cl)c[nH]1)N(CCc1ccccc1)Cc1ccccc1 39994099 SHNIRYBASQCJSE-UHFFFAOYSA-N 338.838 4.553 0 40 EJAB CCOc1ccc(NC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)cc1 40095524 WZSYVDHILSDEKR-ZDUSSCGKSA-N 332.831 4.964 0 40 EJAB c1ccc(OCCCN2CCC[C@H]2c2nc3ccccc3s2)cc1 70040809 VTZQWIZKMNJGAP-SFHVURJKSA-N 338.476 4.902 0 40 EJAB Cc1ccc(CN2C[C@H]3c4ccccc4[C@H](N(C)C(C)C)[C@H]3C2)s1 96058321 DYJOFEXQQHVOEM-ACRUOGEOSA-N 340.536 4.667 0 40 EJAB Cc1ccc(-c2nn3c(-c4cc5ccccc5o4)nnc3s2)cc1C 96193779 PYFKDXMVPXUDOF-UHFFFAOYSA-N 346.415 4.883 0 40 EJAB Cc1cccc(CN2C(=O)S/C(=C/c3ccc(C)s3)C2=O)c1 214624618 IABVVXNHZCOKTJ-OQLLNIDSSA-N 329.446 4.601 0 40 EJAB CCSc1ccccc1NC(=O)[C@H](CC)Oc1ccc(C)cc1 219593584 IPPLBESNYQCBJM-KRWDZBQOSA-N 329.465 4.903 0 40 EJAB CCCCOCc1cc(C(=O)Nc2ccc(C)cc2)ccc1OC 224435229 GMPAXDVCZVCBQL-UHFFFAOYSA-N 327.424 4.573 0 40 EJAB CCCOCc1cc(C(=O)Nc2ccccc2Cl)ccc1OCC 224705171 DRNUIJYJVSMZSY-UHFFFAOYSA-N 347.842 4.918 0 40 EJAB O=C(Cc1ccc(Cl)cc1F)Nc1ccc(Cl)c(Cl)c1 225003157 ZOVBTGPCGALOHQ-UHFFFAOYSA-N 332.589 4.967 0 40 EJAB CCc1cccc(C)c1NC(=O)Cc1cccc(Br)c1 225615177 JOLBZYLMLMPBKR-UHFFFAOYSA-N 332.241 4.501 0 40 EJAB CC[C@H](C)Oc1ccc(NC(=O)[C@]2(OC)CCC[C@@H](C)C2)cc1C 225637617 SLENYYWZSNJQRK-IIMJZQEZSA-N 333.472 4.706 0 40 EJAB CCCCOc1ncc(NC(=O)C2(OCCC)CCCCC2)cc1C 225909788 ADYCHBHEDFKACG-UHFFFAOYSA-N 348.487 4.637 0 40 EJAB C[C@@]12CC[C@@H]3[C@H](CC[C@]4(C)CC5(CC[C@]34C)OCCO5)[C@H]1CCC2=O 253595613 GOQSFMJREPWSEI-ZAWDRSOMSA-N 346.511 4.731 0 40 EJAB c1ccc([C@H]2CCC[C@@H]2c2nc(-c3cc[nH]c4nccc3-4)no2)cc1 651395132 HMHXPZJYBZYXKZ-PBHICJAKSA-N 330.391 4.616 0 40 EJAB CCc1ccc([C@@H](C)NC(=O)COc2ccc3ccccc3c2)cc1 32753 OAZUFUMRTFIQIG-MRXNPFEDSA-N 333.431 4.658 0 40 EJAB O=S(=O)(c1ccccc1)N1c2ccccc2Sc2ccccc21 285590 HHQUWQFMRNVYKC-UHFFFAOYSA-N 339.441 4.678 0 40 EJAB Cc1ccc(-c2cc3nc(C(F)(F)F)cc(C(F)(F)F)n3n2)cc1 310857 YJHALCCWNZQJMH-UHFFFAOYSA-N 345.246 4.742 0 40 EJAB O=C(NCc1ccc(Cl)c(Cl)c1)Nc1cccc(Cl)c1 371210 PUFZJMOSOPYWQG-UHFFFAOYSA-N 329.614 4.969 0 40 EJAB CCCCCN(CCNc1cc(OC)cc2cccnc12)[C@H](C)CC 1656126 SXUGOGFHPFVIOF-QGZVFWFLSA-N 343.515 4.946 0 40 EJAB CCCOc1ccc(/C=C/C(=O)Nc2ccc(C)c(C)c2)cc1OC 1934657 NPUIQMQHUYOJBF-DHZHZOJOSA-N 339.435 4.753 0 40 EJAB O=C(c1ccc(CN2CCCC2)cc1)c1cc(Cl)ccc1Cl 2514585 FHUFVBWDHVGEOW-UHFFFAOYSA-N 334.246 4.820 0 40 EJAB Fc1ccc(-c2nc(Cl)c3cc(Br)ccc3n2)cc1 2527419 GIPACZKCRFSBRP-UHFFFAOYSA-N 337.579 4.852 0 40 EJAB O=C(Nc1nccs1)c1cc(-c2cccs2)nc2ccccc12 3183638 DAXSQWBCHBMJQY-UHFFFAOYSA-N 337.429 4.672 0 40 EJAB O=c1[nH]c(/C=C/c2cccc(O)c2)nc2scc(-c3ccccc3)c12 5827907 BQXQEQLCVPDUOG-MDZDMXLPSA-N 346.411 4.528 0 40 EJAB c1csc(-c2nc(CSc3ncnc4sccc34)co2)c1 6115369 TVHMVXJQOKHZJR-UHFFFAOYSA-N 331.447 4.700 0 40 EJAB CCOc1cc(/C=C/c2nc3ccc(OC)cc3s2)ccc1OC 8322226 SBVCXAOFNOUVBH-UXBLZVDNSA-N 341.432 4.883 0 40 EJAB Cc1ccccc1OCc1nnc(SCc2ccc(Cl)cc2)o1 9198462 DCCRQKUOYCDUNW-UHFFFAOYSA-N 346.839 4.903 0 40 EJAB Cc1[nH]c2ccc(C(=O)Nc3ccnn3C3CCCCC3)cc2c1C 12940157 YQIDZQJVMHNOJV-UHFFFAOYSA-N 336.439 4.739 0 40 EJAB Cc1cs/c(=N\c2ccccc2)n1CC(=O)c1ccc(Cl)cc1 13301265 LMBBJDOHLODFSC-ZZEZOPTASA-N 342.851 4.627 0 40 EJAB CN(C(=O)c1cnc(Cl)c(Cl)c1)c1ccc2ccccc2c1 16011599 VDRHLLBQZGRBFB-UHFFFAOYSA-N 331.202 4.818 0 40 EJAB COc1cc2ccccc2cc1C(=O)Nc1cccc(OC(C)C)c1 20485545 SKJZOIJXYVGLKX-UHFFFAOYSA-N 335.403 4.888 0 40 EJAB CCc1ccccc1O[C@@H](C)C(=O)Nc1c(Cl)cccc1Cl 20494025 GTPDXKUUWSKFIZ-NSHDSACASA-N 338.234 4.962 0 40 EJAB CCC[C@H](C)NC(=O)c1ccccc1-c1ccc(Cn2cccn2)cc1 22522808 GDLCTWDJQSGUBR-KRWDZBQOSA-N 347.462 4.517 0 40 EJAB c1csc(-c2nnc(CSc3nnc(C4CCCCC4)o3)o2)c1 22892346 PRSLSSFQILELGN-UHFFFAOYSA-N 348.453 4.521 0 40 EJAB Cc1nc2c(-c3ccccc3)cnn2c(Nc2ccc(F)cc2)c1C 27586128 FYJQFMQVNOCCPS-UHFFFAOYSA-N 332.382 4.896 0 40 EJAB CSc1cccc(NC(=O)[C@@H](C)Oc2ccccc2C(C)C)c1 30869369 FQEYPTJABRKPCK-CQSZACIVSA-N 329.465 4.938 0 40 EJAB CCCCC(=O)Nc1cccc(-c2nc(-c3ccc(C)cc3)no2)c1 33012742 NADRAWUOOQCEJH-UHFFFAOYSA-N 335.407 4.841 0 40 EJAB CSc1cccc(NC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)c1 40478258 XNANIEUQURXVKD-UHFFFAOYSA-N 343.839 4.704 0 40 EJAB O=C(C=C1CCCCC1)Nc1cccc(NC(=O)c2ccccc2)c1 56013215 WSNFQJSSYAGOOS-UHFFFAOYSA-N 334.419 4.768 0 40 EJAB O=C(Nc1ccc(Nc2ccccc2)cc1)c1cc(-c2ccco2)on1 58345304 RMMQWBPTACKWND-UHFFFAOYSA-N 345.358 4.931 0 40 EJAB C[C@@H](Nc1ccc(N2CCCCCC2)cc1)c1nc(C(C)(C)C)no1 73637285 LADLBQFBOQAKTC-OAHLLOKOSA-N 342.487 4.921 0 40 EJAB O=C(Nc1ccc(Cl)cc1)Nc1ccc(N2CCCCC2)cc1 75283481 QRARSYHMOSMDLP-UHFFFAOYSA-N 329.831 4.974 0 40 EJAB O=C(/C=C/c1cccs1)N(CCc1cccs1)Cc1ccoc1 90612305 LPGZCAHOXBKDIF-AATRIKPKSA-N 343.473 4.687 0 40 EJAB O=C1S/C(=C/c2ccc(F)cc2)C(=O)N1Cc1ccccc1Cl 214097661 LKVATGVASADLSR-OQLLNIDSSA-N 347.798 4.716 0 40 EJAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)Cc1ccc(C)c(C)c1 218809214 WQKKXHUFAPBZLQ-IBGZPJMESA-N 337.463 4.573 0 40 EJAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)N[C@H](C)c2ccc(C)c(C)c2)c1 219303144 FPOGYLKBHHKFJY-MOPGFXCFSA-N 339.479 4.873 0 40 EJAB CCc1ccc(CCC(=O)NCCOc2cccc3ccccc23)cc1 223555740 LROSWKRWAVXMNK-UHFFFAOYSA-N 347.458 4.530 0 40 EJAB CCOCc1cc(C(=O)Nc2ccc(Cl)cc2C)ccc1OCC 224695174 YIRFYGPREDYYHH-UHFFFAOYSA-N 347.842 4.836 0 40 EJAB CCc1ccc([C@H](C)NC(=O)[C@@H](CC)Oc2cc(C)ccc2C)cc1 224796957 GMWLLEHIAUAJLX-FXAWDEMLSA-N 339.479 4.901 0 40 EJAB C[C@@H](Cc1cccc2ccccc12)C(=O)NC[C@@H](C)c1ccccc1 224941831 INSLMHDZGNANRG-ZWKOTPCHSA-N 331.459 4.938 0 40 EJAB CCOc1ccc(CCCNC(=S)Nc2ccc(CC)cc2)cc1 225621868 AWNKDKUWOLFXCF-UHFFFAOYSA-N 342.508 4.567 0 40 EJAB CCOc1ccc(NC(=O)CSCc2ccc(Cl)cc2)cc1 343155 MBXZFINETTVPIK-UHFFFAOYSA-N 335.856 4.611 0 40 EJAB O=C(Nc1nc(-c2c[nH]c3ccccc23)cs1)c1cccc(F)c1 2630199 HECOOBZUOIBJAH-UHFFFAOYSA-N 337.379 4.683 0 40 EJAB O=C(COc1ccc(-c2ccccc2)cc1)Nc1ccc(F)c(F)c1 2633693 TWHDPIHPKOTZEV-UHFFFAOYSA-N 339.341 4.649 0 40 EJAB CCn1nc(C)c2c(C(F)(F)Cl)cc(-c3ccc(F)cc3)nc21 2732511 JKJNRKPJUBLGHU-UHFFFAOYSA-N 339.748 4.854 0 40 EJAB O=C(COc1ccccc1F)Nc1cc(C(F)(F)F)ccc1Cl 4076948 VXXIASDMUMABHY-UHFFFAOYSA-N 347.695 4.515 0 40 EJAB O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)Nc1nnc(-c2ccccc2Cl)s1 4570660 FBLJVCBHQZBBNU-TUAOUCFPSA-N 347.871 4.623 0 40 EJAB CCOCc1ccccc1C1(O)c2ccccc2Oc2ccccc21 4692318 KLGQIUCZDIBPJA-UHFFFAOYSA-N 332.399 4.613 0 40 EJAB Cc1ccc(SCC(=O)Nc2ccc(N3CCCCC3)cc2)cc1 6249061 QTDJZNWHAZVEJT-UHFFFAOYSA-N 340.492 4.716 0 40 EJAB CN(C)[C@H]1CCc2c(ccc3ccccc23)[C@@H]1OC(=O)c1ccccc1 6437269 MABOKCQFSCINST-VXKWHMMOSA-N 345.442 4.614 0 40 EJAB Cc1cccn2c(NC(=O)/C=C/c3ccco3)c(-c3ccccc3)nc12 6970904 VNCKFLBKXIARST-VAWYXSNFSA-N 343.386 4.555 0 40 EJAB O=C(Nc1nc2ccccc2[nH]1)c1ccc(-c2ccc(F)cc2)s1 6971294 LKSIFKDFHNMAPC-UHFFFAOYSA-N 337.379 4.683 0 40 EJAB Cc1ccc(Nc2nc(COC(=O)C[C@@H]3C=CCC3)cs2)cc1 7372851 GTJCRYRGLKZAQM-CQSZACIVSA-N 328.437 4.595 0 40 EJAB C[C@H](CCc1ccccc1)NC(=S)Nc1ccc(F)c(Cl)c1 7571028 LRFWGFFESLGLNR-GFCCVEGCSA-N 336.863 4.787 0 40 EJAB COc1cc(C(=O)Nc2cccc(C(C)C)c2)ccc1OC(F)F 8130186 SXYQMCFRGASXGE-UHFFFAOYSA-N 335.350 4.672 0 40 EJAB COc1ccccc1NC(=O)c1ccc(C2SCCCS2)cc1 9544789 DIWTZQHNKXOSPM-UHFFFAOYSA-N 345.489 4.816 0 40 EJAB COc1cccc(NC(=O)N[C@H](c2ccccc2)c2cccs2)c1 11553555 AJJLACRZMCHJAQ-GOSISDBHSA-N 338.432 4.668 0 40 EJAB Cc1cc(N2CCCC2)ccc1NC(=O)c1ccc(-n2cccc2)cc1 11572963 BWZLKOFPGXUCDT-UHFFFAOYSA-N 345.446 4.638 0 40 EJAB O=C(O)[C@H](c1ccccc1)N(Cc1ccccc1)Cc1ccccc1 11834049 QCVGMYQQPIOOMI-NRFANRHFSA-N 331.415 4.515 0 40 EJAB Cc1ccc(NC(=O)c2ccc(OCc3cscn3)cc2)c(C)c1 12872398 XTJCKCCPTZZLPH-UHFFFAOYSA-N 338.432 4.591 0 40 EJAB COc1cccc(NC(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)c1 13048498 IXJWLHHFOODMFP-LLVKDONJSA-N 338.329 4.597 0 40 EJAB CCc1cccc(CC)c1NC(=O)[C@H](C)Oc1ccc(Cl)cc1 14398848 FJURNDHYQMORGL-ZDUSSCGKSA-N 331.843 4.871 0 40 EJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1c(F)cccc1F 20456215 RSHOZDPRVZRGFK-GOSISDBHSA-N 341.357 4.914 0 40 EJAB O=C(Nc1ccc(N2CCCCC2)c(F)c1)c1cccc(Cl)c1 21577776 LHCXGIYQRFZGNL-UHFFFAOYSA-N 332.806 4.722 0 40 EJAB O=C(Nc1nc(C2CC2)cs1)c1ccc(-c2ccc(F)cc2)o1 25561292 LUXUUKZSDJLABT-UHFFFAOYSA-N 328.368 4.672 0 40 EJAB COCc1cccc(Nc2nc(-c3ccncc3)nc3ccccc23)c1 26721466 BCJOAOIPSDNOQP-UHFFFAOYSA-N 342.402 4.582 0 40 EJAB Cc1ccc(OC[C@H](O)CNC(C)(C)CC(C)(C)C)c(C(C)(C)C)c1 26781098 VXSBUIYULIZAJS-QGZVFWFLSA-N 349.559 4.837 0 40 EJAB O=C(Nc1ccc(Oc2nc3ccccc3o2)cc1)c1cccs1 40153378 UVXKVIQHLUUGPG-UHFFFAOYSA-N 336.372 4.934 0 40 EJAB CC(=O)Nc1ccc(CN[C@@H](C)c2ccccc2C(F)(F)F)cc1 58216852 VGQPXYMLBBCQIK-LBPRGKRZSA-N 336.357 4.515 0 40 EJAB Cc1ccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1C 59351222 ABXSXFGGMCGFNZ-MSOLQXFVSA-N 325.452 4.565 0 40 EJAB CC(C)c1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 73632147 CLZVTIRYMSHLTN-UHFFFAOYSA-N 343.370 4.630 0 40 EJAB O=C(COc1ccc2ccccc2c1)NCc1cccc2ccccc12 222891771 RPPBGICXWPIMLG-UHFFFAOYSA-N 341.410 4.688 0 40 EJAB CC[C@H](NC(=O)CCc1ccc(F)cc1)c1ccc2c(c1)CCCC2 223135393 CSAKEROHXHRZIY-NRFANRHFSA-N 339.454 4.905 0 40 EJAB Cc1ccc(CN(C(=O)c2cc(-c3ccccc3)oc2C)C2CC2)o1 1525805827 JXKQMXYEMFSAAM-UHFFFAOYSA-N 335.403 4.961 0 40 EJAB COc1ccc(/C=C/C(=O)Oc2ccc(C(C)(C)C)cc2)cc1OC 143347 RGDIJTXVHYTRBK-NTUHNPAUSA-N 340.419 4.620 0 40 EJAB Cc1ccc(Sc2c(Cl)cnn(-c3ccc(C)cc3)c2=O)cc1 1398191 XCYHNNBDEMKFAD-UHFFFAOYSA-N 342.851 4.654 0 40 EJAB COc1ccc(NC(=O)CSCc2cccc3ccccc23)cc1 1944889 GJZZQCHUGMDFHK-UHFFFAOYSA-N 337.444 4.720 0 40 EJAB Cc1cc(C)cc(N2COc3c(cc4c(C)c(C)c(=O)oc4c3C)C2)c1 2159067 RNFLQJKPKMUVLN-UHFFFAOYSA-N 349.430 4.692 0 40 EJAB biogenic CC(=O)NC[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@H]21 4776359 FODXIORRSBDQQV-FDFHNCONSA-N 327.512 4.956 0 40 EJAB C[C@H]1CCc2nn(-c3nc4ccccc4s3)c(C(F)(F)F)c2C1 5275068 MHWGDPXYTRJTQK-VIFPVBQESA-N 337.370 4.626 0 40 EJAB Cc1cccc(-c2nc3c(c(SC(C)C)n2)COC(C)(C)C3)c1 5306627 FPKSMHHZYCOEOT-UHFFFAOYSA-N 328.481 4.804 0 40 EJAB C[C@@H]1CCC[C@@H](NC(=O)/C=C/c2cccc(C(F)(F)F)c2)[C@@H]1C 5518797 NTERBJWYCRVGDG-KECFAQJASA-N 325.374 4.660 0 40 EJAB O=C(NC(=O)c1c(F)cccc1Cl)Nc1ccc2ccccc2c1 5521388 QGFILYNVEMAVMZ-UHFFFAOYSA-N 342.757 4.594 0 40 EJAB O=C(Cc1cccs1)Nc1nc(-c2ccc(Cl)cc2)cs1 6258354 HGHCWVPIPPOHHL-UHFFFAOYSA-N 334.853 4.706 0 40 EJAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc2ccccc2n1 8279130 GRXPACURQDDLPC-CYBMUJFWSA-N 347.443 4.678 0 40 EJAB O=C(Nc1nc(-c2cc3ccccc3o2)cs1)c1ccsc1 9873235 YNXLZIJPZCYFAG-UHFFFAOYSA-N 326.402 4.870 0 40 EJAB COc1ccc(Br)cc1/C=C/c1nc2ccccc2o1 13141615 QNSWGXYXXDWJDG-RMKNXTFCSA-N 330.181 4.769 0 40 EJAB COc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1C 14292036 XNEIFYCMDVRGIK-UHFFFAOYSA-N 331.415 4.523 0 40 EJAB CCOC(=O)/C(Cl)=C(\C)Nc1nc2c(ccc3ccccc32)s1 16952060 ORANXPAQAAJTLA-UVTDQMKNSA-N 346.839 4.895 0 40 EJAB C[C@@H]1CC(=O)c2c(Nc3ccc(F)cc3)nn(-c3ccccc3)c2C1 20671943 ZRZWARQSZZENEK-ZDUSSCGKSA-N 335.382 4.520 0 40 EJAB C[C@H]1CC(=O)c2c(Nc3ccc(F)cc3)nn(-c3ccccc3)c2C1 20671946 ZRZWARQSZZENEK-CYBMUJFWSA-N 335.382 4.520 0 40 EJAB Cc1ccc(C)c(SCC(=O)N(C)c2nc3ccccc3s2)c1 25052569 CPYGJDXQHUTYCX-UHFFFAOYSA-N 342.489 4.668 0 40 EJAB C[C@H](NCc1ccc(OC(F)F)c(F)c1)c1csc(C2CC2)n1 95437372 JCFBFZQAUJDKHM-VIFPVBQESA-N 342.386 4.612 0 40 EJAB Fc1cccc(CN(Cc2cnoc2-c2cccs2)C2CC2)c1 95437978 BJEUUCWTVJKXKD-UHFFFAOYSA-N 328.412 4.707 0 40 EJAB Cc1ccc(-c2nc(CNCc3cnc(C4CCC4)s3)co2)cc1 96473110 GFVAVRFJJAVKRP-UHFFFAOYSA-N 339.464 4.664 0 40 EJAB Nc1ccccc1NC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 119074080 RXOOJQTVYATMRR-UHFFFAOYSA-N 346.308 4.800 0 40 EJAB CCc1cccc(CC)c1NC(=O)Cc1cccc(Br)c1 133083921 MSJABEBOEZUSDO-UHFFFAOYSA-N 346.268 4.755 0 40 EJAB Cc1c(C(=O)O)c2ccccc2n1C(=O)c1ccc(Cl)c(Cl)c1 216954964 NGOPCOWMVDXHQI-UHFFFAOYSA-N 348.185 4.643 0 40 EJAB Cc1cccc(CNC(=O)c2ccccc2CCc2ccccc2)c1 219003797 KXQAJFPKIADLAU-UHFFFAOYSA-N 329.443 4.710 0 40 EJAB CC[C@H](Oc1ccc(C)cc1C)C(=O)NCCCc1ccc(C)cc1 222965638 DKMXGJBTBZMGFP-FQEVSTJZSA-N 339.479 4.518 0 40 EJAB C[C@H](CC(C)(C)c1ccccc1)NC(=O)Cc1ccc(Cl)cc1F 224531780 INOINCKQBZRDKT-CQSZACIVSA-N 347.861 4.894 0 40 EJAB Cc1cc(C)c(C)c(O[C@@H](Cc2cc(Cl)ccc2C)C(=O)O)c1 225077805 CXKVHVKODLMRJT-SFHVURJKSA-N 332.827 4.648 0 40 EJAB Cc1ccccc1[C@@H](NC(=S)Nc1ncccc1C)c1ccccc1 225507449 PMHMVMXLXZODKO-IBGZPJMESA-N 347.487 4.774 0 40 EJAB CCc1ccc2oc(-c3ccc[n+](Cc4cccc(F)c4)c3)nc2c1 226308242 AEDVWTGGGGOXSQ-UHFFFAOYSA-N 333.386 4.532 0 40 EJAB Cc1cccc([C@@H]2Nc3c(C(=O)O)cccc3[C@H]3[C@H]4CC[C@@H](C4)[C@@H]32)c1 251195252 PUXRBJYOENWGBS-QGCVXUCCSA-N 333.431 4.990 0 40 EJAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc2ccccc2c1 408705328 CDLUZGQUCCGKGP-HXUWFJFHSA-N 335.403 4.645 0 40 EJAB Cc1ccc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)s1 409138151 ZDZAAQCETVRAMF-FOWTUZBSSA-N 343.473 4.726 0 40 EJAB Cc1cc(C)cc(CSCC(=O)NCc2ccccc2Cl)c1 409147810 NRPLIMXMDGVTKS-UHFFFAOYSA-N 333.884 4.506 0 40 EJAB O=C(CCc1ccccc1F)NCc1cc(-c2ccsc2)cs1 1889079637 FQAYQTXJRKIFQF-UHFFFAOYSA-N 345.464 4.865 0 40 EJAB COc1ccc(/C=C/C(=O)Nc2cccc3ccccc23)cc1OC 45967 PZHWMOCNXFLQTO-ACCUITESSA-N 333.387 4.509 0 40 EJAB biogenic,in-vitro Cc1ccc([C@H]2O[C@@H]2C(=O)c2ccccc2OCc2ccccc2)cc1 162493 KAFWCLJYZXXPQF-DHIUTWEWSA-N 344.410 4.897 0 40 EJAB CC(C)Nc1c(-c2ccc(N(C)C)cc2)nc2ccc(Cl)cn12 413727 WJEGNCITISDFDP-UHFFFAOYSA-N 328.847 4.541 0 40 EJAB Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)c(C)c1 557955 XHKPKPXUKAZWBS-UHFFFAOYSA-N 344.414 4.808 0 40 EJAB c1ccc2c(c1)CCc1c(-c3noc4c3CCc3ccccc3-4)noc1-2 1588251 ZCBUTZFHVGVXJK-UHFFFAOYSA-N 340.382 4.861 0 40 EJAB CCCCCCc1c(C)c2ccc(O[C@H](C)C(C)=O)cc2oc1=O 1902767 DRXWYMNJMRKMQY-OAHLLOKOSA-N 330.424 4.581 0 40 EJAB biogenic Cc1ccccc1Cn1c([C@H](C)NC(=O)C(C)(C)C)nc2ccccc21 2721326 GEKDHBBFHDIHFL-INIZCTEOSA-N 349.478 4.616 0 40 EJAB CC[C@@H](C(=O)Nc1c2c(nn1C(C)(C)C)CSC2)c1ccccc1 4088673 VMKUFZNIUXKXIC-CQSZACIVSA-N 343.496 4.517 0 40 EJAB Cc1ccc(NC(=O)[C@H](C)Sc2ncc(-c3ccccc3)[nH]2)cc1 4129522 BMUCQYXJGGYGIN-AWEZNQCLSA-N 337.448 4.504 0 40 EJAB Oc1cccc(-n2c(-c3ccccc3)cn3c4ccccc4nc23)c1 5267097 SJPGQEGUQYVQDR-UHFFFAOYSA-N 325.371 4.651 0 40 EJAB CCCCCCC(N)(CCCCCC)C(=O)Nn1c(C)ccc1C 5782574 SYDFYTUGXOUCAB-UHFFFAOYSA-N 335.536 4.813 0 40 EJAB Cc1nc2ccc(NC(=O)Cc3cccc4ccccc34)cc2s1 6216166 GRDFUSZERVGGIF-UHFFFAOYSA-N 332.428 4.939 0 40 EJAB CC(=O)c1sc(-c2c(C)nc3sccn23)nc1-c1ccccc1 6420585 XCPDKDFTTCAWLJ-UHFFFAOYSA-N 339.445 4.697 0 40 EJAB CCC(C)(C)NC(=O)c1cccnc1Sc1cc(C)ccc1C 6787998 CPCUGQPYLNUIBU-UHFFFAOYSA-N 328.481 4.768 0 40 EJAB O=C(O)c1ccc(CNCc2ccc(-c3cccc(Cl)c3)o2)cc1 7524850 WRLTZXFNZFQQQQ-UHFFFAOYSA-N 341.794 4.588 0 40 EJAB COC(=O)c1ccc(C)c(NC(=O)c2ccccc2SC(C)C)c1 8041397 WCHWACIKDWOKRF-UHFFFAOYSA-N 343.448 4.534 0 40 EJAB CCOc1cc(CNC2CC2)cc(Cl)c1OCc1ccccc1F 8254149 FBGGXTOKGCYCLJ-UHFFFAOYSA-N 349.833 4.709 0 40 EJAB C[C@@H](c1ccccc1)N1C(=O)c2ccccc2N[C@@H]1c1cccc(O)c1 8719565 OUIGPQRSUZBJQS-BTYIYWSLSA-N 344.414 4.720 0 40 EJAB CCOc1ccc(C(=O)N(Cc2ccc(C)cc2)Cc2ccco2)cc1 9431924 UGFYAKXCTNJGIC-UHFFFAOYSA-N 349.430 4.829 0 40 EJAB Cc1ccc([C@H](CCN[C@H]2CCO[C@H](C(C)C)C2)c2ccco2)cc1 9485882 BGTUPBQBRXSYOP-ONTIZHBOSA-N 341.495 4.903 0 40 EJAB O=C(c1cc2sc(Nc3ccccc3)nc2s1)N1CCCCC1 10165459 PZOWDQDLRDOKFI-UHFFFAOYSA-N 343.477 4.728 0 40 EJAB O=C1C[C@@H](c2cccc(OCCc3ccccc3)c2)c2sccc2N1 12376336 SKPRUVGZUXSXNF-SFHVURJKSA-N 349.455 4.844 0 40 EJAB CC(=O)c1sc(NC(=O)c2sccc2C)nc1-c1ccccc1 12685091 UTVOKDHVYBBUBR-UHFFFAOYSA-N 342.445 4.635 0 40 EJAB CCN(CC)Cc1ccccc1CNc1nc2ccccc2s1 12745769 OJEZKMOBDMWVTD-UHFFFAOYSA-N 325.481 4.750 0 40 EJAB CCc1cccc(CC)c1NC(=O)[C@H](CC)Oc1ccc(OC)cc1 14398631 BRGRQBSCIPILSB-IBGZPJMESA-N 341.451 4.616 0 40 EJAB Cc1ccc(C(C)C)c(OCC(=O)Nc2cccc3ccc(C)nc23)c1 15835290 LREAKBSSZJEUJJ-UHFFFAOYSA-N 348.446 4.993 0 40 EJAB Cc1ccc(/C=C/C(=O)N(Cc2ccccc2)c2ccccn2)cc1 16749980 BOEUEXHMXJAYQV-CCEZHUSRSA-N 328.415 4.637 0 40 EJAB COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(F)c(F)c2)cc1 24392306 BORHQVDCPCJQKH-IBGZPJMESA-N 345.389 4.731 0 40 EJAB COc1cccc([C@H](C)N[C@H](C)c2cccc(Br)c2)c1 37507759 SORHILJROYFRNC-OLZOCXBDSA-N 334.257 4.870 0 40 EJAB O=C(C1CCCC1)N1CCC[C@H]1c1cccc(Cc2ccccc2)n1 72357996 CLAJVGIYTZFUAO-NRFANRHFSA-N 334.463 4.526 0 40 EJAB c1ccc(COC2CCN(Cc3ncc(-c4ccccc4)o3)CC2)cc1 73106525 QAOMVUWYRAYCOL-UHFFFAOYSA-N 348.446 4.523 0 40 EJAB Cc1cc(Cl)ccc1OCCCC(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 102607671 IZTFTQNBTGOQST-NBOOPKSLSA-N 349.902 4.748 0 40 EJAB CCOc1ccc(C(=O)Nc2cccc(C)c2C)cc1COC(C)C 224714609 VWEGDVROZGMTAF-UHFFFAOYSA-N 341.451 4.879 0 40 EJAB Cc1cc(O[C@@H](Cc2ccc(C(C)C)cc2)C(=O)O)ccc1Cl 225045703 ODHIIENUDQXLIY-SFHVURJKSA-N 332.827 4.847 0 40 EJAB CCc1ccc(CC)c(CNC(=O)[C@@H](C)Oc2ccc(C)cc2C)c1 225398053 PSCDSLIGUAUJKV-QGZVFWFLSA-N 339.479 4.512 0 40 EJAB O=C(CSCc1ccc(Cl)cc1)NC1CCCCCCC1 408562663 DZVXUUBQDKLANO-UHFFFAOYSA-N 325.905 4.802 0 40 EJAB C=CC(=C)NC(=S)Nc1nc(-c2ccc(C(C)C)cc2)cs1 575425990 KBIDNDGURBJHLQ-UHFFFAOYSA-N 329.494 4.920 0 40 EJAB CN1CCC[C@@H](COc2ccccc2Oc2cccc(Cl)c2)C1 585266247 XSNVOEVYVIXECG-OAHLLOKOSA-N 331.843 4.853 0 40 EJAB Cc1nc(C(=O)Nc2ccc(Cl)cc2)cc2c1[nH]c1ccccc12 208104 YVIRLDPPRMJRPS-UHFFFAOYSA-N 335.794 4.930 0 40 EJAB COc1ccc(-n2nccc2-c2cc(Cl)sc2Cl)cc1 1389732 AJMQYOIFCCXFMW-UHFFFAOYSA-N 325.220 4.916 0 40 EJAB Cc1cc(C(=O)Nc2nc3ccc(F)cc3s2)c2ccccc2n1 3352127 ASSWYYKARCCIDW-UHFFFAOYSA-N 337.379 4.544 0 40 EJAB C[C@@H](Oc1ccccc1)C(=O)Nc1ccccc1Oc1ccccc1 4666625 PBEYDLIUPWDCLX-MRXNPFEDSA-N 333.387 4.885 0 40 EJAB Cn1c(-c2ccc(Cl)cc2)cn2cc(-c3ccc(F)cc3)nc12 4678636 WIFLIHXRUMMKIK-UHFFFAOYSA-N 325.774 4.799 0 40 EJAB O=C(OCc1ncc(-c2ccc(Cl)cc2)o1)c1c(F)cccc1F 7124073 VRONAXIHSGGEFH-UHFFFAOYSA-N 349.720 4.630 0 40 EJAB C[C@@H](O)c1ccc(-c2ccc(CNCc3ccccc3Cl)o2)cc1 7540859 HZCWQBJUNNBCOE-CQSZACIVSA-N 341.838 4.943 0 40 EJAB CCCCCCC(=O)Nc1ccccc1S[C@@H](CCC)C(=O)O 8732939 QZHLYZSDRZAAQD-INIZCTEOSA-N 337.485 4.941 0 40 EJAB Cc1cc2nc(-c3ccc(CNC(=O)C(C)(C)C)cc3)oc2cc1C 10120360 JFSMGFYTBIBJQU-UHFFFAOYSA-N 336.435 4.774 0 40 EJAB Cc1ccc(F)cc1NC(=O)c1occc1COc1ccccc1 11425797 DDFQLJNXVPZQOE-UHFFFAOYSA-N 325.339 4.558 0 40 EJAB Cc1c(C(=O)Nc2nc3c(s2)C[C@H](C)CC3)oc2ccc(F)cc12 11448235 QGQXKBKJAKEOKF-SECBINFHSA-N 344.411 4.714 0 40 EJAB C[C@@H](Oc1ccc(F)cc1)C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 12947533 AAVRHBDEERLXEG-XIKOKIGWSA-N 347.817 4.514 0 40 EJAB Cc1cc(OCC(=O)N[C@H]2CCCC[C@@H]2C)c(C(C)C)cc1Cl 13062805 FUVRSPZLXVQVES-GUYCJALGSA-N 337.891 4.846 0 40 EJAB Cc1cc(Cl)ccc1NC(=O)c1cc(C2CC2)nc2onc(C)c12 14180358 JVDKCIOJVSEZMF-UHFFFAOYSA-N 341.798 4.623 0 40 EJAB C=Cn1cc(CN2CCC(c3cc4c(C)cccc4cn3)CC2)c(C)n1 19236696 BAXWCGGJXYOKAU-UHFFFAOYSA-N 346.478 4.528 0 40 EJAB CCN(CC)CCNCc1ccc(-c2cc(Cl)cc(Cl)c2)o1 22076575 PIJSEOQOFKZVDY-UHFFFAOYSA-N 341.282 4.685 0 40 EJAB C[C@@H](c1nnc(-c2cccs2)o1)N(C)Cc1ccc(Cl)s1 23329997 YHIFOSJGARAUTG-VIFPVBQESA-N 339.873 4.706 0 40 EJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N1CCCc2ccccc21 30857241 ZVQHADBHNKPXCR-OAQYLSRUSA-N 345.442 4.977 0 40 EJAB COc1ccc(Cl)cc1NC(=O)C1=Cc2ccc(C)cc2OC=C1 33324427 PWZWOPQQJCEBIA-UHFFFAOYSA-N 341.794 4.585 0 40 EJAB CC(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2F)cc1 40106591 ZUAIFPLRDYWZTC-UHFFFAOYSA-N 333.362 4.948 0 40 EJAB C[C@H](N[C@@H](C)c1nnc(-c2ccccc2)o1)c1cccc(Cl)c1 69417414 ADFGUOZZJNYOHB-STQMWFEESA-N 327.815 4.802 0 40 EJAB Fc1ccc(Cc2cccc([C@@H]3CCCN3Cc3ccncc3)n2)cc1 72357667 IKUXFRYUDGFTKI-QFIPXVFZSA-N 347.437 4.544 0 40 EJAB CSCc1cccc(NC(=O)c2oc3c(c2C)C(=O)CCC3)c1C 75140247 LHCCQEVBAURBAO-UHFFFAOYSA-N 343.448 4.531 0 40 EJAB COc1ccc(NC(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)cc1 80344368 QYFQDLONUPANAG-HZPDHXFCSA-N 336.218 4.744 0 40 EJAB Cc1ccccc1-c1nc(C)c(CNC(=O)Nc2cccs2)s1 96024550 NARAPGNKVPBSRM-UHFFFAOYSA-N 343.477 4.810 0 40 EJAB CC(C)Oc1ccc(C(=O)NCCCc2ccc(C(C)C)cc2)cc1 218985813 JNYYQXKMUXEECP-UHFFFAOYSA-N 339.479 4.960 0 40 EJAB CC[C@@H](NC(=O)[C@H](C)Oc1cccc(C)c1C)c1ccc(C)cc1C 219310868 MOVLIJGNLDLTMS-AZUAARDMSA-N 339.479 4.955 0 40 EJAB Cc1ccc2[nH]c(-c3ccc(C(=O)Nc4ccc(F)cc4)cc3)nc2c1 225261537 DGBOPRFBQWOMRN-UHFFFAOYSA-N 345.377 4.930 0 40 EJAB CCOc1ccc(CCCNC(=S)Nc2cc(C)cc(C)c2)cc1 225621311 SQJDYMWFYNKQPZ-UHFFFAOYSA-N 342.508 4.621 0 40 EJAB CCCO[C@](C)(CC)C(=O)Nc1ccc(OCc2ccccc2)cc1 225729483 LOLNDQOKFMSWIH-OAQYLSRUSA-N 341.451 4.799 0 40 EJAB CC(C)Oc1ccc(NC(=O)[C@@H](C)SCc2ccccc2)cc1 408564325 VWKXPHPQROZXMJ-OAHLLOKOSA-N 329.465 4.734 0 40 EJAB CCOc1ccc(/C=C/C(=O)Oc2ccc(C)c(C)c2)cc1OCC 147581 UBBLNUNUOJPGKI-FMIVXFBMSA-N 340.419 4.720 0 40 EJAB O=C(Nc1nc(-c2c[nH]c3ccccc23)cs1)c1ccccc1F 3422588 MOBAEEGEKPPKQB-UHFFFAOYSA-N 337.379 4.683 0 40 EJAB COc1ccc2nc(Nc3nc4ccc(F)cc4s3)sc2c1 4137730 LAORVPQOSFPADQ-UHFFFAOYSA-N 331.397 4.797 0 40 EJAB Cc1ccc2nc(SCC(=O)Nc3ccccc3C)sc2c1 4614472 FGCZNVKGCPZWHW-UHFFFAOYSA-N 328.462 4.644 0 40 EJAB Cc1cc(O)ccc1NC(=O)CC(c1ccccc1)c1ccccc1 4666259 MKBAAASRRUQBNR-UHFFFAOYSA-N 331.415 4.861 0 40 EJAB CC(=O)O[C@@]1(C)CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 5178640 YKEIELWRIARSQU-CJRUCWEJSA-N 346.511 4.920 0 40 EJAB biogenic O=C(CC1CCCC1)N1CCC[C@@H](c2nc3ccccc3s2)C1 8104835 KUOOJUFDPCZDRI-OAHLLOKOSA-N 328.481 4.583 0 40 EJAB Cc1ccc(CSc2nnc(COc3ccccc3C)o2)cc1 9198448 ZFQZJUFOPNJZCB-UHFFFAOYSA-N 326.421 4.558 0 40 EJAB O=C(Cc1cccc2ccccc12)NCC1(c2ccccc2)CCC1 11177891 HCLYVIVSHNTLTC-UHFFFAOYSA-N 329.443 4.620 0 40 EJAB O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)Nc1ccc2c(c1)C(=O)c1ccccc1-2 12377181 KNWKNLLHCPJJQD-RRFJBIMHSA-N 331.415 4.663 0 40 EJAB O=C(Nc1ccccc1)[C@H]1CCCN1Cc1ccc(Cl)cc1Cl 12813336 QHNWQDJXRWVLRK-QGZVFWFLSA-N 349.261 4.597 0 40 EJAB Cc1ccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1 14831356 WTVXUSCJIUDDEQ-UHFFFAOYSA-N 337.219 4.878 0 40 EJAB Cc1cc(C)c2c(C)c(C(=O)Nc3ccc4nsnc4c3)oc2c1 15841353 AQLBIKJQAKNRAU-UHFFFAOYSA-N 337.404 4.615 0 40 EJAB CCOc1cccc(CNC(=O)CCc2ccc(C(C)(C)C)cc2)c1 20481015 PXWDAWTVAASZPS-UHFFFAOYSA-N 339.479 4.632 0 40 EJAB COc1cccc(NC(=O)Nc2nc3ccc(Cl)cc3s2)c1 28227235 DPKOBMCWHRFOCP-UHFFFAOYSA-N 333.800 4.602 0 40 EJAB O=C(Cc1c[nH]c2ccccc12)Nc1ccc(OC2CCCC2)cc1 31245390 QRTLXVWFQVEGSZ-UHFFFAOYSA-N 334.419 4.671 0 40 EJAB COc1ccc(C2=NN(c3ccccc3)[C@@H](C=C(Cl)Cl)C2)cc1 34133599 ZKTVERJNTCOFQV-OAHLLOKOSA-N 347.245 4.997 0 40 EJAB COC(=O)c1cccc(Nc2ccnc3cc(C(F)(F)F)ccc23)c1 40164046 JQPSDDIIPKLQTB-UHFFFAOYSA-N 346.308 4.784 0 40 EJAB CCc1ccc(CCC(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 45354972 MENBNNLMGNZSRE-UHFFFAOYSA-N 344.458 4.806 0 40 EJAB Fc1ccc(CSc2nncc3ccccc23)cc1Br 48620700 IGLKSJURLWQRRF-UHFFFAOYSA-N 349.228 4.824 0 40 EJAB Cc1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)c(Cl)c1 57412673 KSJYDMIXOYKMBI-UHFFFAOYSA-N 346.217 4.944 0 40 EJAB Cc1nc(NC(=O)c2cc3c(s2)CCC3)sc1-c1ccccc1 58391366 WPQQHMIBFXWHDC-UHFFFAOYSA-N 340.473 4.921 0 40 EJAB Cc1ccc(O[C@H](C)C(=O)N[C@@H](C)c2cc(C)ccc2C)c(C)c1 59351566 REAVJIRLOUKMIR-ZWKOTPCHSA-N 325.452 4.565 0 40 EJAB CNc1nc2c(s1)[C@@H](c1ccc(Cl)cc1Cl)CC(O)=N2 61717928 MUYBSJDLILZWJZ-MRVPVSSYSA-N 328.224 4.615 0 40 EJAB O[C@H](c1cc(Cl)cc(Cl)c1)c1cccc(Br)c1 95730208 BQBGQMAXAMYKGD-ZDUSSCGKSA-N 332.024 4.838 0 40 EJAB O=C(c1cc(F)cc(F)c1)N1[C@@H]2CC[C@@H]1CC(c1ccc(F)cc1)C2 100166326 FXPHNTDMOQHDQC-RTBURBONSA-N 345.364 4.655 0 40 EJAB CCN1C(=O)[C@H](Cc2ccc(OC3CCCC3)cc2)c2ccccc21 101014590 YDJAZSBGCNUFCF-HXUWFJFHSA-N 335.447 4.701 0 40 EJAB CCCc1cc(O)n2nc(-c3ccccc3)c(-c3ccccc3)c2n1 102800744 HHKATKSUHFDUTO-UHFFFAOYSA-N 329.403 4.721 0 40 EJAB COc1cccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c1 210197980 HTHJVVSDRLDRJZ-OQLLNIDSSA-N 345.807 4.590 0 40 EJAB CC(C)Oc1ccccc1C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 219741304 UAQKAELKLHXPDY-QGZVFWFLSA-N 339.435 4.506 0 40 EJAB Cc1cccc(CSCC(=O)N[C@H](C)c2ccc(C)c(C)c2)c1 222745941 HKRXCYBFZGMIMY-QGZVFWFLSA-N 327.493 4.722 0 40 EJAB C[C@H](NC(=O)Cc1ccc(Cl)cc1F)c1ccc2c(c1)CCCC2 222999745 GJSQALGHZBQJKL-ZDUSSCGKSA-N 345.845 4.778 0 40 EJAB Cc1cccc(C(C)C)c1NC(=O)C1(c2ccccc2)CCOCC1 223965513 SOUCKLGQKSOQQL-UHFFFAOYSA-N 337.463 4.805 0 40 EJAB Cc1cc(O[C@@H](Cc2cccc3ccccc23)C(=O)O)ccc1Cl 225048508 USQPFBNDQBYJLI-IBGZPJMESA-N 340.806 4.876 0 40 EJAB O=C(O)[C@@H](Cc1ccc(Cl)c(Cl)c1)Oc1ccc(Cl)cc1 225087919 KTCURBVGFHAWBE-CQSZACIVSA-N 345.609 4.722 0 40 EJAB Cc1ccccc1-n1nc(C(=O)O)cc1-c1ccc2ccccc2c1 408727720 XEOHRTYXPVDRLG-UHFFFAOYSA-N 328.371 4.699 0 40 EJAB CCOc1ccc(/C=C2\Sc3ccccc3NC2=O)cc1OCC 409095341 BZAPGNRWXOZGOK-PDGQHHTCSA-N 341.432 4.569 0 40 EJAB Cc1ccc(-c2csc3[nH]c(=S)n(-c4ccccc4)c(=O)c23)o1 102703 DLEDXCLUNJGJEM-UHFFFAOYSA-N 340.429 4.678 0 40 EJAB O=C(c1csc(-c2ccccc2)n1)N1CC=C(c2ccccc2)CC1 129981 VKKORTFJQGIYNB-UHFFFAOYSA-N 346.455 4.740 0 40 EJAB COc1cc2[nH]c(=S)nc(Nc3cc(C)cc(C)c3)c2cc1OC 429305 DNGSOOKHYAQAMX-UHFFFAOYSA-N 341.436 4.670 0 40 EJAB COc1ccc2oc(-c3ccccc3)c(C(=O)N3CCC(C)CC3)c2c1 498867 FEYGTZJVPXIBKS-UHFFFAOYSA-N 349.430 4.981 0 40 EJAB CCc1ccccc1-n1ncc(C(=O)Nc2ccc(Cl)cc2)c1C 1018249 NCNQOCMGEAUVAM-UHFFFAOYSA-N 339.826 4.649 0 40 EJAB O[C@H](CNc1ncnc2cc(Cl)ccc12)c1ccc2ccccc2c1 1406297 GKLVGBODYHGORN-LJQANCHMSA-N 349.821 4.582 0 40 EJAB CC1(C)COC(CCCC(=O)c2ccc(Cl)cc2Cl)OC1 2518142 RBYVDCVVFGIRHM-UHFFFAOYSA-N 331.239 4.746 0 40 EJAB Cc1ccc(-c2cc(C(=O)Nc3ncccc3C)c3ccccc3n2)o1 2743243 BVADKACNNAXQFL-UHFFFAOYSA-N 343.386 4.759 0 40 EJAB CCCCc1ccc2nc(NC(=O)/C=C/c3ccco3)sc2c1 3547510 OLFXNSUUTMBMJB-CSKARUKUSA-N 326.421 4.884 0 40 EJAB O=C(NC12CC3CC(CC(C3)C1)C2)C(c1ccccc1)c1ccccc1 5871686 SQGPNYRYYCZDMF-UHFFFAOYSA-N 345.486 4.904 0 40 EJAB Cc1cc(C)n2c(SCc3ccc(-c4ccccc4)cc3)nnc2n1 6172255 VMOUFUOKFPHCLT-UHFFFAOYSA-N 346.459 4.700 0 40 EJAB CSC(=S)C[C@@H](O)[C@@H]1CC2c3ccccc3C1c1ccccc12 6425153 HBXQKYHUVCXNNU-AGYKMIKPSA-N 340.513 4.725 0 40 EJAB COc1cccc(OC)c1OC(=O)c1oc2ccc(Cl)cc2c1C 6540085 LQNRETGGZLTADW-UHFFFAOYSA-N 346.766 4.631 0 40 EJAB CSc1ccccc1NC(=O)Cc1cccc(C(F)(F)F)c1 7264866 BTPPFOHWYYRAJI-UHFFFAOYSA-N 325.355 4.609 0 40 EJAB C[C@@H](NCc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(Cl)cc1 8199515 ZEPGDZYZTQYQKC-LLVKDONJSA-N 348.233 4.894 0 40 EJAB CCC(=O)N([C@H]1CCOC(C)(C)C1)[C@@H](c1ccc(OC)cc1)C(C)C 9049206 KHZRESOVCBXIDW-FXAWDEMLSA-N 347.499 4.589 0 40 EJAB O=C(CSCc1ccccc1)Nc1ccc(Cc2ccncc2)cc1 11557817 INAMZURMMQSNJL-UHFFFAOYSA-N 348.471 4.544 0 40 EJAB CSc1cccc(NC(=O)c2csc(-c3cccs3)n2)c1 12771915 BAFLWYQPYCVVGY-UHFFFAOYSA-N 332.475 4.846 0 40 EJAB COc1ccc(OC)c(C(=O)Oc2ccc(C(C)(C)C)cc2C)c1 15356249 FGMFYAWOAODIQF-UHFFFAOYSA-N 328.408 4.529 0 40 EJAB Cc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2cccc(Cl)c2)c(C)c1 20108175 XZXPPKUWWQFAJV-LSDHHAIUSA-N 331.843 4.602 0 40 EJAB COc1ccc(CN(C)C(=O)c2sccc2-c2ccccc2)cc1 24400127 LYSNDSNNYXWDKB-UHFFFAOYSA-N 337.444 4.696 0 40 EJAB COC(=O)c1ccc(CSc2nc(C)c(C)n2C2CCCCC2)o1 24932698 NIGSCWLUPKKGRO-UHFFFAOYSA-N 348.468 4.677 0 40 EJAB CC(=O)c1ccc(NC(=O)CCCc2ncc(-c3ccccc3)o2)cc1 31662733 JJGROSKCCRSCBD-UHFFFAOYSA-N 348.402 4.506 0 40 EJAB C[C@H](NC(=O)CCc1cccc(Cl)c1Cl)c1cccs1 31699459 SCHMDJBFBVUKLA-JTQLQIEISA-N 328.264 4.865 0 40 EJAB Cc1ccc(C(=O)[C@H](C)OC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 32744883 LRYCFICRWPIFAK-BZSISCHUSA-N 340.463 4.716 0 40 EJAB CC(=O)c1ccc(-c2ccc(C(=O)N[C@@H]3CCc4ccccc43)o2)cc1 32843551 IQGBFWBXPUBTGX-LJQANCHMSA-N 345.398 4.567 0 40 EJAB C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc3noc(-c4ccccc4)c3c2)C1 39979722 XDUXWZWVCSZXDO-HUUCEWRRSA-N 334.419 4.613 0 40 EJAB CN(Cc1cccc(O)c1)C(=O)Nc1ccccc1-c1cccs1 47396655 LHWINTBWGODOHD-UHFFFAOYSA-N 338.432 4.785 0 40 EJAB Cc1nc(C)c([C@@H](C)NC(=O)Cc2coc3c(C)c(C)ccc23)s1 56020829 NHDSIYRPDQQVSI-CYBMUJFWSA-N 342.464 4.543 0 40 EJAB Cn1cc(Nc2nc(-c3cc4cc(Cl)ccc4o3)cs2)cn1 58244509 VEGIZVWTSLUCGJ-UHFFFAOYSA-N 330.800 4.687 0 40 EJAB O=[S@@](Cc1cccc(Cl)c1)Cc1csc(-c2ccco2)n1 69456382 SSEPKUHHTJXXBU-OAQYLSRUSA-N 337.853 4.505 0 40 EJAB CC[C@@H](NCc1cccc(COC2CCOCC2)c1)c1ccccc1 71902732 BFZPDDINZRYLFC-JOCHJYFZSA-N 339.479 4.623 0 40 EJAB CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc(C2=NCCCC2)cn1 72215135 GJAYIBNNBFVWNA-CQSZACIVSA-N 331.460 4.595 0 40 EJAB OC1=Nc2c(cnn2Cc2cccs2)[C@H](c2ccccc2Cl)C1 72403065 VOWQPGMJOLDFLF-ZDUSSCGKSA-N 343.839 4.770 0 40 EJAB Cc1cc(CNc2ccccc2NC(=O)c2ccc(Cl)cc2)no1 84117157 FONSGFTUPJLNOR-UHFFFAOYSA-N 341.798 4.501 0 40 EJAB Cc1ccc(Oc2ccc(NC(=O)c3cccc(N(C)C)c3)cn2)cc1 84157313 AVQSVAUXFCDMPO-UHFFFAOYSA-N 347.418 4.501 0 40 EJAB COc1cc([C@@H](C)NCc2scnc2C)ccc1SC(F)F 95421967 OHZHLQBHOIOIKC-SECBINFHSA-N 344.452 4.626 0 40 EJAB CC(C)Cc1nnc([C@@H](C)Sc2cccc(Br)c2)o1 95956627 YTFYMRZRWZYAKG-SNVBAGLBSA-N 341.274 4.884 0 40 EJAB CCc1ccc([C@H](NC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)c2cccs2)cc1 102407545 NARHQKMDPUFVPK-CAIZAGQASA-N 337.488 4.728 0 40 EJAB CC[C@H](NC(=O)[C@@H](C)Oc1ccc(C)cc1)c1ccc(C)cc1C 218973888 HZOLVXJEURFSQF-XLIONFOSSA-N 325.452 4.647 0 40 EJAB CCC1(CC)C[C@H](NC(=O)c2cccc(F)c2)c2ccccc2O1 224960616 GHTJZJTWYOSIKK-KRWDZBQOSA-N 327.399 4.638 0 40 EJAB CCC[C@H](C)NC(=S)Nc1ccc(Br)c(Cl)c1 225382304 AEENWDIWDLDOML-QMMMGPOBSA-N 335.698 4.578 0 40 EJAB CCOc1cccc(NC(=S)N[C@H](C)c2cc(C)ccc2C)c1 225537200 UQFNNKBEJZBBFS-OAHLLOKOSA-N 328.481 4.750 0 40 EJAB COc1ccc(NC(=O)C(C)(C)Cc2ccc(Cl)cc2)c(C)c1 225943579 RNSSOXVVNLXVHW-UHFFFAOYSA-N 331.843 4.864 0 40 EJAB CCOc1ccc(C(=O)Nc2ccc(C)cc2C)cc1Br 293827 IARNEEVJEHBTHS-UHFFFAOYSA-N 348.240 4.717 0 40 EJAB CCCc1cc2c3c(c(=O)oc2cc1OCc1ccccc1)CCC3 405935 XFMLSXGIXJZLCG-UHFFFAOYSA-N 334.415 4.813 0 40 EJAB biogenic O=C1c2ccsc2SCCN1Cc1c(Cl)cccc1Cl 1403649 DLZZXXGQJCWOAQ-UHFFFAOYSA-N 344.288 4.803 0 40 EJAB Cc1ccc2nc(NC(=O)COc3ccc4ccccc4c3)sc2c1 2181304 HKCLVTWPLHDNRQ-UHFFFAOYSA-N 348.427 4.775 0 40 EJAB Cc1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3)n3ncnc3N2)cc1C 2919582 NIKLQXANSVAIHM-ZWKOTPCHSA-N 338.842 4.695 0 40 EJAB COC(=O)c1ccc(-c2nc(-c3ccccc3Cl)cs2)cc1 3108074 VZDLLJAFFYWYAC-UHFFFAOYSA-N 329.808 4.917 0 40 EJAB Cc1cccc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)n1 5798997 KENKAUKBMIGVKU-LJQANCHMSA-N 334.444 4.862 0 40 EJAB C[C@H](Sc1nnc(-c2ccccc2)n1C)c1ccccc1Cl 6140522 HJWYBPYHCPGDBF-LBPRGKRZSA-N 329.856 4.989 0 40 EJAB CCc1ccc(CN(Cc2ccco2)C(=O)c2ccc(C)cc2)cc1 6747413 ODHZDKDRKKAWAT-UHFFFAOYSA-N 333.431 4.993 0 40 EJAB O=C(c1ccccc1Cl)N(Cc1ccco1)Cc1ccccc1F 6747624 ILHLLDUPVGXKSC-UHFFFAOYSA-N 343.785 4.915 0 40 EJAB O=C(c1ccc(-c2nc3ccccc3s2)o1)N1CCCCCC1 6998277 OYHNXRSOWUJBPW-UHFFFAOYSA-N 326.421 4.573 0 40 EJAB Cc1cccc(NC(=O)CN(C)Cc2cccc3ccccc23)c1C 8153148 UDRUBLDFUHZJIC-UHFFFAOYSA-N 332.447 4.527 0 40 EJAB Cc1cc2oc(=O)cc(CNc3ccccc3F)c2cc1C(C)C 8212003 SVFLBAKJJWKFTE-UHFFFAOYSA-N 325.383 4.976 0 40 EJAB C[C@H](CCc1ccccc1)NC(=O)CCCc1c[nH]c2ccccc12 8764310 FZGQHQPMUPDUNI-QGZVFWFLSA-N 334.463 4.628 0 40 EJAB biogenic Cc1ccc(Nc2ncnc3c2c(C)c(C)n3Cc2ccco2)cc1 9970664 NVBNCCHAUWZCEP-UHFFFAOYSA-N 332.407 4.741 0 40 EJAB CC(C)CC(=O)N1CCCCC[C@H]1c1cc(-c2cccs2)on1 12185378 SQBAPOKYSATJHC-HNNXBMFYSA-N 332.469 4.893 0 40 EJAB CSc1ccccc1NC(=O)[C@H](C)N(C)Cc1ccc(Cl)cc1 13095326 JLIBJAWSGDUEFV-ZDUSSCGKSA-N 348.899 4.521 0 40 EJAB CCc1cccc(C)c1NC(=O)[C@H](C)Oc1cc(C)cc(C)c1C 20040621 HLFCHHRZRKDXGY-KRWDZBQOSA-N 325.452 4.889 0 40 EJAB Cc1ccc(NC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1 20108096 ZYOLRJANCRKUSJ-UHFFFAOYSA-N 342.442 4.810 0 40 EJAB Cc1c(NC(=O)c2cccc3c(Cl)cccc23)cccc1C(=O)O 20138969 IDVZNPKBURGKFE-UHFFFAOYSA-N 339.778 4.752 0 40 EJAB CCc1ccccc1Nc1nn(-c2ccccc2)c2c1C(=O)C[C@@H](C)C2 20671982 SJLOJHUAUVHLCM-HNNXBMFYSA-N 345.446 4.943 0 40 EJAB COCc1cccc(C(=O)Nc2ccc(Nc3ccccc3)cc2)c1 32819013 LHMSNVWJWGVAAL-UHFFFAOYSA-N 332.403 4.829 0 40 EJAB CCc1cccc(C)c1-n1nnnc1[C@@](C)(CC)Nc1ccccc1C 35622580 MLABQUMZXAHDCA-OAQYLSRUSA-N 349.482 4.579 0 40 EJAB Cc1noc(-c2ccc(Cl)cc2)c1C(=O)Nc1ccccc1F 35673296 VCYZQMRRMGJJDT-UHFFFAOYSA-N 330.746 4.695 0 40 EJAB COc1ccc(NC(=O)N(C)[C@@H](C)c2ccc(F)cc2)cc1Cl 40098694 LDKHPYXBNGEPAA-NSHDSACASA-N 336.794 4.713 0 40 EJAB Cc1oc(-c2cccs2)nc1CN1CCC[C@H]1Cc1ccccc1 58081602 IYFDIFYDLBZXOO-KRWDZBQOSA-N 338.476 4.919 0 40 EJAB COc1ccc([C@@H](C)NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1 59351894 KOLVVXJWXZXDMI-WPBGYSLVSA-N 337.463 4.883 0 40 EJAB Cc1cc(NC(=O)Nc2ccccc2)ccc1NC(=O)c1ccccc1 66054489 ZOWWBCZXWIOJOA-UHFFFAOYSA-N 345.402 4.891 0 40 EJAB O=[S@](Cc1coc(-c2cccs2)n1)Cc1ccccc1Cl 69485594 SRUZZVUZSVIRIL-OAQYLSRUSA-N 337.853 4.505 0 40 EJAB O=C(Nc1ccc(Cl)cc1[C@H](O)c1ccccc1)c1cccs1 71763154 ADKAIZBNNFWVTM-QGZVFWFLSA-N 343.835 4.736 0 40 EJAB CN1CCC(c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)CC1 72348588 HUTAFRINCKQPCY-UHFFFAOYSA-N 334.385 4.500 0 40 EJAB CCO[C@@H](C)c1nc(CN[C@@]2(C)CCCc3ccccc32)cs1 95960510 DBEZIRXABCBRRX-LIRRHRJNSA-N 330.497 4.582 0 40 EJAB Cc1ccccc1Cc1nnc(CN[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)o1 95995939 HDQQIMLHXLPZFI-ATZDWAIDSA-N 341.499 4.519 0 40 EJAB Cc1ccc(CN2CCC3(CC[C@@H]3N(C)Cc3ccco3)CC2)s1 96051558 CLVODXIOFMVEAT-IBGZPJMESA-N 344.524 4.526 0 40 EJAB COc1ccc(C(=O)CCc2ccc(OC(F)(F)F)cc2)cc1F 199732140 YFPQLHBSDKVOLC-UHFFFAOYSA-N 342.288 4.548 0 40 EJAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(OC(C)C)cc1 222988660 GAUZAGHUJOVHNT-FQEVSTJZSA-N 341.451 4.887 0 40 EJAB CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@@H](C)c1cc(C)c(C)cc1C 223464972 XPRNWGDHWDRWHV-GHTZIAJQSA-N 339.479 4.955 0 40 EJAB CC[C@H](Oc1ccc(C)cc1)C(=O)N[C@H](C)c1cc(C)c(C)cc1C 223473291 HBECUWPNRDJHIR-NQIIRXRSSA-N 339.479 4.955 0 40 EJAB CC(C)(Cc1ccccc1)NC(=O)CSCc1cccc(Cl)c1 223585510 UCAHBNKJRMXKLV-UHFFFAOYSA-N 347.911 4.711 0 40 EJAB CCN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(Cl)cc1 224709541 YRFQZFUULOYJMO-UHFFFAOYSA-N 344.263 4.517 0 40 EJAB COc1ccc(CNC(=O)Nc2cc(Cl)c(C)c(Cl)c2)cc1 1562287553 WHRGQTCVPNLNER-UHFFFAOYSA-N 339.222 4.632 0 40 EJAB CCOC(=O)c1c(NC(=O)C2CCCC2)sc2c1CCCCCC2 369192 ZIQYGVOXXJNPDU-UHFFFAOYSA-N 349.496 4.713 0 40 EJAB Cc1ccc(NC(=O)N[C@H]2c3ccccc3-c3cc(C)ncc32)cc1 521508 MASDLBUOWOLRKP-FQEVSTJZSA-N 329.403 4.590 0 40 EJAB CCCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1cn(C)c2ccccc12 535391 SOZGSYWOHLEBIU-OAQYLSRUSA-N 345.446 4.656 0 40 EJAB Cc1nc(-c2ccccc2)nc2c1nc(C(C)C)n2Nc1ccccc1 1611396 PIJXFNONMITBBG-UHFFFAOYSA-N 343.434 4.800 0 40 EJAB CSc1cccc(NS(=O)(=O)c2cccc(Cl)c2Cl)c1 2644630 ZUKJRMIPKIOIKW-UHFFFAOYSA-N 348.276 4.516 0 40 EJAB COc1cc2ccccc2cc1C(=O)Nc1nc(C(C)(C)C)cs1 2709788 ZNTFPGVQFIGJCM-UHFFFAOYSA-N 340.448 4.855 0 40 EJAB CC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c1 2764204 JJGRXKCRMIXEAB-HNNXBMFYSA-N 339.435 4.593 0 40 EJAB COc1cc(C=O)cc(Cl)c1OCc1ccc2ccccc2c1 2805851 FQBPPVKXXLBVQQ-UHFFFAOYSA-N 326.779 4.893 0 40 EJAB Cc1cc(C)n2nc(SC3c4ccccc4-c4ccccc43)nc2n1 3440504 VKPINQQKJITJEB-UHFFFAOYSA-N 344.443 4.603 0 40 EJAB Cc1ccc2[nH]c(-c3cccc(-c4nc5cc(C)ccc5[nH]4)n3)nc2c1 3654659 CXHVMCLLVSAXIU-UHFFFAOYSA-N 339.402 4.785 0 40 EJAB O=C(COc1ccc2ccccc2c1)Nc1ccc(C(F)(F)F)cc1 6393306 VQEDZMWBTIXPGP-UHFFFAOYSA-N 345.320 4.876 0 40 EJAB Cc1ccc(N2C(=O)N(Cc3cccc4ccccc34)C(=O)[C@@H]2C)cc1 6602568 NOAVNCNWVWLXRS-INIZCTEOSA-N 344.414 4.506 0 40 EJAB Cc1occc1-c1nnc(SCC(=O)c2ccc(C(C)C)cc2)o1 7196151 JKCSKKDGXGJGOU-UHFFFAOYSA-N 342.420 4.736 0 40 EJAB Brc1cccc2c(-c3nc4ncccc4o3)cccc12 9422024 JIHWLIQPSMLBLP-UHFFFAOYSA-N 325.165 4.806 0 40 EJAB C[C@@H]1Cc2ccccc2N1C(=O)CSCc1ccccc1Cl 10449642 LSWLMQWGGCYHFE-CYBMUJFWSA-N 331.868 4.551 0 40 EJAB COc1cccc(CO[C@@H]2C[C@H](C)S[C@H]3C=CC(Cl)=C[C@@H]32)c1 12857639 TUBWQLBEFSFOMZ-XKDXWZMYSA-N 336.884 4.783 0 40 EJAB CCc1ccc(NC(=S)N2c3ccc(F)cc3CC[C@H]2C)cc1 13829554 HNPGLULAIFBYCG-CYBMUJFWSA-N 328.456 4.926 0 40 EJAB O=C(Nc1ccccc1SCC(F)(F)F)c1cccc(F)c1 14184374 AKFQVUJBXJMWJU-UHFFFAOYSA-N 329.318 4.732 0 40 EJAB C[C@@H](OC(=O)c1cccc2ccccc12)C(=O)c1cccc(Cl)c1 14681865 UPKBYUXSEJDRPQ-CYBMUJFWSA-N 338.790 4.921 0 40 EJAB CC(=O)CCSc1nc2c(c(-c3ccc(Cl)cc3)n1)CCCC2 16138978 WRLIIHYNVRZBJP-UHFFFAOYSA-N 346.883 4.747 0 40 EJAB Cc1cc(S(=O)(=O)NC(C)(C)CCC(C)(C)C)c(C)cc1Cl 16780749 YHUSDVYIDFHQFC-UHFFFAOYSA-N 345.936 4.840 0 40 EJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(C)cc1 20045911 AEHZFTMZXFMLTO-NRFANRHFSA-N 333.431 4.622 0 40 EJAB CCN(CC)CCNCc1ccc(-c2cc(Cl)ccc2Cl)o1 22076524 IPIKJQNIAVTUPQ-UHFFFAOYSA-N 341.282 4.685 0 40 EJAB CC(C)c1cccc(C(C)C)c1OCCCN1C[C@H](C)O[C@@H](C)C1 22385606 BQORZYXEEBAHHD-ROUUACIJSA-N 333.516 4.812 0 40 EJAB Cc1ccsc1C(=O)Nc1nc2ccccc2n1Cc1ccccc1 27923150 YCLZXCGSRUOLDF-UHFFFAOYSA-N 347.443 4.707 0 40 EJAB CC(C)c1nc2cc(NC(=O)C3(c4ccc(F)cc4)CC3)ccc2o1 33217501 CLRZTILFLKOIAY-UHFFFAOYSA-N 338.382 4.761 0 40 EJAB COc1cccc(Nc2c(-c3ccc(O)cc3)nc3cc(C)ccn23)c1 35616332 AXMDAYZDSLKRIT-UHFFFAOYSA-N 345.402 4.768 0 40 EJAB Cc1cc(NC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)no1 56329586 LEVDWERJFPQTAR-INIZCTEOSA-N 327.428 4.650 0 40 EJAB CC(C)c1cccc(C(C)C)c1NC(=O)CNCc1ccccc1F 58160852 TWNNHLPKRDRGBN-UHFFFAOYSA-N 342.458 4.801 0 40 EJAB CC(=O)Nc1ccc(C)c(NC(=O)N(CC2CC2)C2CCCCC2)c1 65490383 MPIHYPLVTFQBGL-UHFFFAOYSA-N 343.471 4.530 0 40 EJAB COc1ccc([C@H]2CCCCN2C(=O)OCc2ccccc2)cc1 72221524 NJOXHSPJJRIOQU-LJQANCHMSA-N 325.408 4.559 0 40 EJAB CCc1ccc(OCC(=O)NC(c2ccccc2)c2ccccc2)cc1 75240752 PVAZJOYLMSTMCL-UHFFFAOYSA-N 345.442 4.534 0 40 EJAB CC[C@@H](c1ccc(F)cc1)[S@](=O)Cc1coc(-c2cccs2)n1 95960697 GZPHALFMLJHRQL-HJPURHCSSA-N 349.452 4.942 0 40 EJAB CC1CCN(C(=S)c2ccccc2OCc2ccc(F)cc2)CC1 107676474 GRKDUDIFWXPLAN-UHFFFAOYSA-N 343.467 4.812 0 40 EJAB Cc1ccc(S[C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCC3)cc1 223156203 QIXNGLGESGHKPI-CVEARBPZSA-N 339.504 4.842 0 40 EJAB CCCCOCc1cc(C(=O)Nc2c(F)cccc2F)ccc1OC 224437747 NRYXTJKOACWJPF-UHFFFAOYSA-N 349.377 4.542 0 40 EJAB CCCC[C@@H](CC)CNC(=O)[C@H](CC)Oc1ccccc1Cl 224440432 RGPFURWAUVEAAC-ZBFHGGJFSA-N 325.880 4.830 0 40 EJAB CCCC[C@H](CC)CNC(=O)[C@H](CC)Oc1ccc(Cl)cc1 224622014 QAOSRGSBYKFGGB-YOEHRIQHSA-N 325.880 4.830 0 40 EJAB C[C@H](CC(C)(C)c1ccccc1)NC(=O)Cc1cccc(Cl)c1 225092074 FWQFHCZIIVJCNX-OAHLLOKOSA-N 329.871 4.755 0 40 EJAB Cc1ccc(CC(C)(C)C(=O)Nc2ccc(OC(C)C)cc2)cc1 225942642 OCGPMQSBKIOYQE-UHFFFAOYSA-N 325.452 4.990 0 40 EJAB C[C@@H](Cc1cc2ccccc2o1)NC(=O)CCSc1ccccc1 239593153 DRPIDCMLFLNQKX-HNNXBMFYSA-N 339.460 4.662 0 40 EJAB C[C@@H]1[C@@H](O)C[C@@H]2C[C@H]1[C@H](c1cccc(OC3CCCC3)c1)OC2(C)C 257303055 SFPLQXYOKHVCFP-YDPHYOHUSA-N 344.495 4.881 0 40 EJAB CCCOc1ccccc1[C@@H]1SCC(=O)N1c1ccc(Cl)cc1 408554497 CZYQPYZITBNLCP-SFHVURJKSA-N 347.867 4.907 0 40 EJAB O=C(/C=C/c1ccc(F)cc1)Nc1ccc(Oc2ccccc2)nc1 408604701 WEVZADSGLIUWNI-XYOKQWHBSA-N 334.350 4.665 0 40 EJAB Cc1cccn2cc(-c3ccc(N[C@H](C)c4cc(C)n(C)n4)cc3)nc12 502403266 NZLVHXGVTURIRE-MRXNPFEDSA-N 345.450 4.525 0 40 EJAB Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(-c3cnco3)cc2)cc1 511227715 DGBMFDLBDTWACK-AWEZNQCLSA-N 338.432 4.769 0 40 EJAB O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc(F)cc1 119123 AMTIUBNZPTVVMA-UHFFFAOYSA-N 331.350 4.621 0 40 EJAB Cc1ccc(NC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)cc1 363584 HYASNMPUEIKJSR-KRWDZBQOSA-N 343.426 4.968 0 40 EJAB Cc1cc2c(C)ccc(C)c2nc1SCC(=O)N1CCCC[C@H]1C 419207 ALVXROBWVPMXFN-MRXNPFEDSA-N 342.508 4.653 0 40 EJAB Clc1cccc2c(-c3nnnn3-c3ccc4ccccc4c3)c[nH]c12 982060 PNOZUNOLVJSISN-UHFFFAOYSA-N 345.793 4.617 0 40 EJAB C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C)c1ccccc1 4138452 QCDWGWKUHJMUQD-CYBMUJFWSA-N 334.448 4.817 0 40 EJAB Fc1cccc(Cl)c1CSc1ccc(-c2cccnc2)nn1 4358284 CSOHYEIYWRDAEH-UHFFFAOYSA-N 331.803 4.623 0 40 EJAB CCCCN(CCNc1cc(OC)cc2cccnc12)[C@@H](C)CC 5837930 HQNULEHJYXEBBF-INIZCTEOSA-N 329.488 4.556 0 40 EJAB CCCSc1ncc(Cl)c(C(=O)Nc2c(C)cccc2C)n1 6810519 YETOEYABQPGNSO-UHFFFAOYSA-N 335.860 4.501 0 40 EJAB Cc1ccc2c(CC(=O)OCc3nc4ccccc4s3)coc2c1 7430172 FYUFFQAUNRXGBQ-UHFFFAOYSA-N 337.400 4.637 0 40 EJAB COc1ccccc1CNC(=O)c1ccc(-c2ccccc2Cl)o1 7997717 XBSGWQBOFDYTHX-UHFFFAOYSA-N 341.794 4.539 0 40 EJAB Cc1ccc(C)c(NC(=O)CN(C)Cc2ccc3ccccc3c2)c1 8127453 PAKDBONCVFNSNS-UHFFFAOYSA-N 332.447 4.527 0 40 EJAB Cc1ccc(C(=O)O)cc1NC(=O)c1sc2ccccc2c1Cl 13169737 PVBDOHYVBYODFL-UHFFFAOYSA-N 345.807 4.814 0 40 EJAB COc1cccc(CN[C@@H](Cc2cccs2)c2nc(C)cs2)c1 19240093 ZYGREHFZUWFWEJ-KRWDZBQOSA-N 344.505 4.595 0 40 EJAB c1csc(-c2nnc([C@@H]3CCCN(CC4CCCCC4)C3)o2)c1 19344820 DPGSXLXMBULXNK-OAHLLOKOSA-N 331.485 4.558 0 40 EJAB Cc1ccc([C@@H](NC(=O)Cc2cccc(F)c2)c2cccs2)cc1 20019401 DKVPIDNBEBOOHV-HXUWFJFHSA-N 339.435 4.644 0 40 EJAB COc1ccc([C@H]2CCCN2Cc2cccc3cccnc23)c(OC)c1 22516194 TYIGXXDZVAOSNU-HXUWFJFHSA-N 348.446 4.589 0 40 EJAB Cc1cccc(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)c1C 23118570 UITKMPHMXPCEJA-UHFFFAOYSA-N 348.450 4.759 0 40 EJAB COCc1cccc(NC(=O)CC(c2ccccc2)c2ccccc2)c1 25334980 OKIYWSMBQMXYJT-UHFFFAOYSA-N 345.442 4.994 0 40 EJAB Cc1ccc(-c2nnc(CN[C@@H](C)c3ccccc3Cl)o2)cc1 25919710 NTDCWOHTXKCWQU-ZDUSSCGKSA-N 327.815 4.549 0 40 EJAB O=C1C[C@H](c2ccc(F)cc2)c2snc(-c3ccc(F)cc3)c2N1 35324514 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CCc1ccc(N(CC)S(=O)(=O)c2ccc3ccccc3c2)cc1 225052270 YQMDDPZFOGUDFI-UHFFFAOYSA-N 339.460 4.617 0 40 EJAB O=C(O)[C@@H](Cc1ccc(Cl)cc1)Oc1cccc2ccccc12 225061728 PTWZRIKLHUTYDT-GOSISDBHSA-N 326.779 4.568 0 40 EJAB Cc1ccc([C@@H](NC(=S)Nc2cccnc2)c2ccccc2)c(C)c1 225769656 CGCHZQHRULHADR-FQEVSTJZSA-N 347.487 4.774 0 40 EJAB CCCNC(=O)Nc1cc(Cl)ccc1Oc1ccccc1OC 225774633 LSHWQRMMPKFZQY-UHFFFAOYSA-N 334.803 4.672 0 40 EJAB O=C(Nc1ccc2ccccc2c1)c1ccc(Br)cc1 54772 YQBQGDIIGKTWBG-UHFFFAOYSA-N 326.193 4.855 0 40 EJAB Cc1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 341747 FBPXCPDEJSFMQP-UHFFFAOYSA-N 343.732 4.685 0 40 EJAB Cc1ccccc1-c1nc(-c2ccc(Cl)cc2Cl)cc(=O)o1 519879 ULFVUUWJFODKLZ-UHFFFAOYSA-N 332.186 4.984 0 40 EJAB COc1ccc([C@@]2(C)Nc3ccccc3-c3nc4ccccc4n32)cc1 543885 MHMVGRAKYSZMOG-QFIPXVFZSA-N 341.414 4.858 0 40 EJAB CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1ccccc1Cl 569714 BKAQPVZZBGVUPZ-LBPRGKRZSA-N 346.883 4.980 0 40 EJAB Cc1ccc([C@@H]2C[C@H](c3ccc(C(C)C)cc3)Nc3ncnn32)cc1 2500089 VURWMRDUQVGSOW-UXHICEINSA-N 332.451 4.856 0 40 EJAB O=C(Cc1cccc2ccccc12)OCc1nc2ccccc2s1 3276540 YCPPMQSXJNLYHH-UHFFFAOYSA-N 333.412 4.735 0 40 EJAB Cc1cc(C)cc(N2C[C@@H](c3nc4ccccc4n3C(C)C)CC2=O)c1 4033524 OTHFGGDXZPZNGF-KRWDZBQOSA-N 347.462 4.755 0 40 EJAB C(=C/c1ccccc1)\CN(C/C=C/c1ccccc1)C[C@@H]1CCCO1 4699203 CKKCAEVOVWDVFC-MHCORSEWSA-N 333.475 4.894 0 40 EJAB Cc1sc2nc(C3CCCCC3)nc(SCC(=O)O)c2c1C 4848089 WNDYPZGYPITHKF-UHFFFAOYSA-N 336.482 4.533 0 40 EJAB CCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccccc1)C2 4910867 YNMUXWYCCPSWKG-INIZCTEOSA-N 339.435 4.583 0 40 EJAB COc1cccc(C(=O)Nc2nc3ccc4ccccc4c3s2)c1 5361595 UZTLWTAPLQEQJG-UHFFFAOYSA-N 334.400 4.710 0 40 EJAB CCCn1c(NC(=O)c2ccc(C(C)(C)C)cc2)nc2ccccc21 6153896 NIXQGSFQJWGSRI-UHFFFAOYSA-N 335.451 4.996 0 40 EJAB C[C@H](NC(=O)c1cc2c(s1)CCC2)c1cccc(C(F)(F)F)c1 7986913 IQQWTIFLZGTJPP-JTQLQIEISA-N 339.382 4.747 0 40 EJAB CC(=O)c1cccc(NC(=O)c2ccccc2COc2ccccc2)c1 12805161 DFJZXUMIUSEMSY-UHFFFAOYSA-N 345.398 4.721 0 40 EJAB CCn1c(SCc2cccc(C)c2)nnc1-c1ccc(F)cc1 13325472 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Cc1ccc(C)c(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)c1 2639618 IHCSIOFSMLMIHS-UHFFFAOYSA-N 347.443 4.932 0 40 EJAB C[C@@H](NC(=O)CSc1cccc(C(F)(F)F)c1)c1ccccc1 3455461 RPROVBJKJBDBEV-GFCCVEGCSA-N 339.382 4.675 0 40 EJAB C[C@@H]1CCC[C@H](N[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)[C@@H]1C 4546169 SFZFJLNLICHCTF-YAKVFXAGSA-N 348.490 4.756 0 40 EJAB CC1CCN(C(=S)c2ccccc2OCc2ccccc2F)CC1 6050586 SRUBYIWLXCIHFC-UHFFFAOYSA-N 343.467 4.812 0 40 EJAB Cc1cccc2sc(NC(=O)c3ccccc3C(F)(F)F)nc12 6259912 QYRNOFHSTPKGKS-UHFFFAOYSA-N 336.338 4.876 0 40 EJAB CCCCC1=N[C@H]2Sc3c(OCC)ncnc3[C@H]2C2=C1CCC2 6309796 MAQIBBSNIMFISD-KDOFPFPSSA-N 329.469 4.516 0 40 EJAB O=C(Nc1ccc(Cl)cc1)N(Cc1ccco1)Cc1ccco1 6526995 WLQFUKHXIGLLSV-UHFFFAOYSA-N 330.771 4.760 0 40 EJAB CC[C@@H](O)c1nc2ccccc2n1CCCOc1c(C)cccc1C 7548933 UEVGZCWTRVICBW-LJQANCHMSA-N 338.451 4.566 0 40 EJAB C[C@@H](c1ccccc1)c1nnc(NC(=O)c2cccc(Cl)c2)s1 8769157 RIUABZMUEJJVEC-NSHDSACASA-N 343.839 4.596 0 40 EJAB CCOc1cccc(NC(=O)CCCOc2ccc(Cl)cc2)c1 10295212 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4.726 0 40 EJAB CCCCCCOc1ccccc1C(=O)Nc1cc(N)ccc1C 19736112 RUUMKAUDWWPQCA-UHFFFAOYSA-N 326.440 4.789 0 40 EJAB CCOc1ccc([C@@H](C)NC(=O)CSCc2ccc(C)cc2)cc1 20042286 URDJGOQMQBLDLD-MRXNPFEDSA-N 343.492 4.504 0 40 EJAB Cc1cc(C)cc(CSCC(=O)N(C)Cc2ccc(Cl)cc2)c1 20107147 PHQKKQZKNVKDRT-UHFFFAOYSA-N 347.911 4.849 0 40 EJAB CN(Cc1ccc(Cl)cc1)C(=O)CSc1ccc(Cl)cc1 20455828 ZECPYTZXWFBPRN-UHFFFAOYSA-N 340.275 4.744 0 40 EJAB CCCOC(=O)c1sc(=S)n(-c2ccc(Cl)cc2)c1C 27517210 NVQNVVZQYGBAAH-UHFFFAOYSA-N 327.858 4.797 0 40 EJAB O=C(Nc1c(-c2ccccc2)nc2sccn12)OCc1ccccc1 28294717 ZGHXFOSWNCIEJS-UHFFFAOYSA-N 349.415 4.812 0 40 EJAB CCc1ccccc1O[C@H](C)C(=O)Nc1cccc(C(F)(F)F)c1 38753780 JKSXZTXSFPTQCQ-GFCCVEGCSA-N 337.341 4.674 0 40 EJAB CC(C)Oc1cccc([C@@H](C)NC(=O)CSCc2cccs2)c1 40108211 IHGRTCYHPBYKCQ-CQSZACIVSA-N 349.521 4.646 0 40 EJAB CC[C@@H](NC(=O)[C@@H](C)Sc1ccc(OC)cc1)c1ccc(C)cc1 44901680 LVYXDSBSJHASSB-DNVCBOLYSA-N 343.492 4.752 0 40 EJAB CSc1ccc([C@@H]2SCC(O)=Nc3c2cnn3C(C)(C)C)cc1 49549568 XKALDIZNEUMBRW-HNNXBMFYSA-N 347.509 4.784 0 40 EJAB C[C@H]1c2ccsc2CCN1C(=O)c1c(Cl)c2ccccc2n1C 58345185 JKKIMGOZXOBEOU-NSHDSACASA-N 344.867 4.653 0 40 EJAB COc1ccc(-c2noc(-c3cc(Cl)nc4ccccc34)n2)cc1 67225228 QGCWANGQHFKUFI-UHFFFAOYSA-N 337.766 4.614 0 40 EJAB CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1CC 72215214 QMLMGOLARUOWJV-DOTOQJQBSA-N 347.503 4.778 0 40 EJAB CCCOC1(C(=O)Nc2ccc(OC3CCCC3)cc2)CCCC1 225654363 IEHYUPOBMJJGSB-UHFFFAOYSA-N 331.456 4.686 0 40 EJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3c[nH]c4ccccc34)N21 260759119 FCBSMHWFVVWWEC-VMDGZTHMSA-N 348.475 4.542 0 40 EJAB COc1ccc(Cl)cc1/C=C1\SC(=O)N(c2ccccc2)C1=O 408818837 PDYZCZUAKXGZHU-GDNBJRDFSA-N 345.807 4.590 0 40 EJAB CCc1nc(-c2cc(C)ccc2OCc2ccccc2)ccc1C(=O)O 585265110 GLNYTGWDNXXHQH-UHFFFAOYSA-N 347.414 4.897 0 40 EJAB Cc1ccccc1NC(=O)NC[C@@H](c1ccsc1)c1ccco1 618256224 GMDNGGCPXMLHEY-HNNXBMFYSA-N 326.421 4.603 0 40 EJAB COc1ccc(-c2csc(Nc3cccc(C)c3)n2)cc1[N+](=O)[O-] 206320 XOTZRICHJPKGSG-UHFFFAOYSA-N 341.392 4.779 0 40 EJAB COc1ccccc1NC(=O)c1c(-c2ccccc2Cl)noc1C 304196 HWGAYAJAFQHJET-UHFFFAOYSA-N 342.782 4.564 0 40 EJAB CC1(C)c2ccccc2N2CCC(O)=N[C@@]21/C=C/c1ccc(F)cc1 507356 ZLNUHQHONULYBH-KONDSOJQSA-N 336.410 4.693 0 40 EJAB Clc1ccccc1-n1c(-c2ccco2)nc2nc3ccccc3nc21 553532 RUXISBCXBLTYQF-UHFFFAOYSA-N 346.777 4.882 0 40 EJAB S=C(Sc1nc2ccccc2[nH]1)Sc1nc2ccccc2[nH]1 1673362 INBINYFHGYLEGH-UHFFFAOYSA-N 342.474 4.609 0 40 EJAB CCOc1ccc(NC(=S)Nc2ccc3nc(C)sc3c2)cc1 3285560 YBXFWWMPSKEXKV-UHFFFAOYSA-N 343.477 4.812 0 40 EJAB CCCCOc1ccc(C(=O)Nc2c(F)cccc2F)cc1OCC 3349281 IMTJPMKDYXQESN-UHFFFAOYSA-N 349.377 4.795 0 40 EJAB O=C(Nc1nc2c(Cl)ccc(Cl)c2s1)c1ccc(F)cc1 4330842 WNRJDVIIHKLUKD-UHFFFAOYSA-N 341.194 4.995 0 40 EJAB CCCC(=O)c1ccc(-c2ccc(OC(=O)C(F)(F)F)cc2)cc1 5614672 JWMJSMJZDBYEOM-UHFFFAOYSA-N 336.309 4.804 0 40 EJAB O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1F)c1ccco1 5898298 LNMJMNSYUNVPSB-UHFFFAOYSA-N 343.741 4.555 0 40 EJAB Cc1cccc(C)c1NC(=O)CN(C)[C@H](C)c1ccccc1Cl 6882134 VQOUUHRCNLNDTF-OAHLLOKOSA-N 330.859 4.588 0 40 EJAB Cc1nc(NC(=O)c2cccc(OCc3ccccc3)c2)sc1C 7668630 BIISUEXATHQXOM-UHFFFAOYSA-N 338.432 4.591 0 40 EJAB CCOc1cc(C(=O)O)ccc1OCc1ccc(Cl)cc1Cl 8254561 VCTGWMYGKPILGG-UHFFFAOYSA-N 341.190 4.669 0 40 EJAB CC(C)Oc1cccc(NC(=O)COc2ccc3ccccc3c2)c1 10715432 XIWAYVVGMABKQT-UHFFFAOYSA-N 335.403 4.645 0 40 EJAB CCCCC(=O)Nc1nc(-c2cc3cc(OC)ccc3o2)cs1 10883111 QJYHBFVPYFKMMB-UHFFFAOYSA-N 330.409 4.694 0 40 EJAB Cc1cccc2cc(CNc3cccc(Cl)c3Cl)c(=O)[nH]c12 12492380 ZEQOIQFDTZBADK-UHFFFAOYSA-N 333.218 4.755 0 40 EJAB C[C@@H](Nc1ccc(N2CCCCC2)cc1)c1nc(-c2ccccc2)no1 12529538 MWBWKXAMUUZWGZ-MRXNPFEDSA-N 348.450 4.900 0 40 EJAB Cc1ccc(/C=C/C(=O)O[C@H](C)C(=O)c2ccc(C(C)(C)C)cc2)o1 12541825 VNOYYSAEIRACRI-RDRICISKSA-N 340.419 4.713 0 40 EJAB O=C(N[C@H]1CCSc2ccc(F)cc21)c1cc2ccccc2o1 14242860 TUJXWZSBFSHCMU-AWEZNQCLSA-N 327.380 4.539 0 40 EJAB COc1ccccc1NC(=O)N[C@H](c1ccccc1)c1ccc(C)cc1 18175633 LNHLNBYKLDPTSO-OAQYLSRUSA-N 346.430 4.915 0 40 EJAB CC(=O)c1cnc2c(-c3ccccc3)c(C)nn2c1-c1ccccc1 19960982 URKBKQKVTFSHHN-UHFFFAOYSA-N 327.387 4.574 0 40 EJAB COCc1ccc(C(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)cc1 23121168 UGQNALLLSMTTLG-JOCHJYFZSA-N 345.442 4.661 0 40 EJAB C[C@@H](NCc1ccc2ccccc2c1)c1ccc(-n2ccnc2)cc1 25356470 FRQXWFNAGWOMDB-QGZVFWFLSA-N 327.431 4.876 0 40 EJAB CCCOc1ccc(Cc2c(Cl)nc(Cl)nc2Cl)cc1 27532769 QCESPFDVJNIPLU-UHFFFAOYSA-N 331.630 4.816 0 40 EJAB CCOc1cccc(NC(=O)[C@@H](C)Oc2ccccc2C(C)C)c1 30870407 DTIBCRZCYIIWTP-OAHLLOKOSA-N 327.424 4.615 0 40 EJAB CCC[C@H](NC(=O)CCCC(=O)c1ccc(F)cc1)c1ccccc1 40115503 OSQVQYKBAZIEEY-IBGZPJMESA-N 341.426 4.836 0 40 EJAB Nc1cc(Nc2cccc(C(F)(F)F)c2)nc(-c2ccccc2F)n1 49467846 GXNZZISRWHBQHK-UHFFFAOYSA-N 348.303 4.627 0 40 EJAB CCOc1ccc(-c2cc(C(=O)Nc3c(C)cc(C)cc3C)n[nH]2)cc1 51315395 GVMKZVDXLVTDQL-UHFFFAOYSA-N 349.434 4.653 0 40 EJAB Cc1occc1CN(C)C(=O)c1cc(-c2ccco2)nc2ccccc12 56252102 MXOJTSZNZASWPZ-UHFFFAOYSA-N 346.386 4.668 0 40 EJAB FC(F)(F)c1ccnc(Nc2ccc(N3CCCCCC3)cc2)n1 58407126 SCMJFNDNXHTQDQ-UHFFFAOYSA-N 336.361 4.619 0 40 EJAB CCCn1c(SCc2ccc(Cl)cc2)nc2ccccc2c1=O 59094192 AXPUAFACPNLZFB-UHFFFAOYSA-N 344.867 4.752 0 40 EJAB CC[C@@H](C)c1ccc(S(=O)(=O)Nc2cnc3ccccc3c2)cc1 72414234 GAZVMOLRAPYPMX-CQSZACIVSA-N 340.448 4.549 0 40 EJAB CC(C)(C)OC(=O)Cc1cccc(NCc2cccc(Cl)c2)c1 78904340 VUKFBSUTTRSKSU-UHFFFAOYSA-N 331.843 4.836 0 40 EJAB CC[C@H](Nc1ccc2c(c1)NC(=O)[C@H](C)O2)c1ccc(Cl)cc1 78972536 ONGNSVCFVFAFRC-NHYWBVRUSA-N 330.815 4.623 0 40 EJAB O=c1[nH]c2c(s1)[C@@H](c1ccccc1Cl)[C@@H]1[C@@H](S2)[C@@H]2CC[C@@H]1C2 100872160 JSSBVGZWZPTGCP-CSPRDISMSA-N 349.908 4.742 0 40 EJAB CC[C@H](NC(=O)Cc1ccccc1F)c1ccc2c(c1)CCCC2 223142356 VCLQBPFELVZUOT-FQEVSTJZSA-N 325.427 4.515 0 40 EJAB CCCCCNC(=O)c1ccc(OCC)c(COc2ccccc2)c1 224366998 KJDLNXMEZRQSGK-UHFFFAOYSA-N 341.451 4.584 0 40 EJAB O=C(CSCc1ccc(Cl)cc1F)NC1CCCCCCC1 225128031 SOIFAPAYOPNCCV-UHFFFAOYSA-N 343.895 4.941 0 40 EJAB O=C(NCc1ccc(-c2ccco2)nc1)c1ccc(Cl)c(Cl)c1 238828021 FFKPAUHMOMSORE-UHFFFAOYSA-N 347.201 4.578 0 40 EJAB CC(C)C(=O)N[C@]1(C)C[C@H](c2ccc(F)cc2)O[C@@H]2C[C@H](C)CC[C@H]21 257221948 DRGKCNNZTKTFIE-BLVIHDEWSA-N 347.474 4.623 0 40 EJAB COc1ccccc1OCc1ccc(C(=O)Nc2ccc(C)cc2)cc1 409177255 FWDQWCHNJPLCQY-UHFFFAOYSA-N 347.414 4.835 0 40 EJAB CCC[C@@H](C)C(=O)c1ccc(Br)cc1OC(F)(F)F 575362583 BGRAKGVQUHRAAS-MRVPVSSYSA-N 339.151 4.967 0 40 EJAB CC(C)CSc1nnc(COc2ccccc2)n1-c1ccccc1 287555 LJXMVOQSGNCYLT-UHFFFAOYSA-N 339.464 4.594 0 40 EJAB CCN(CC)c1ccc(NC(=O)[C@H](C)Oc2ccccc2C)c(C)c1 364686 INKQONCZDPHRSC-KRWDZBQOSA-N 340.467 4.556 0 40 EJAB Cc1cc(C)n(-c2nc3ccccc3nc2Nc2cccc(Cl)c2)n1 499366 BXVKHISBHSDTQU-UHFFFAOYSA-N 349.825 4.829 0 40 EJAB Clc1ccc([C@@H](CCNC[C@@H]2CCCO2)Cc2ccccc2)cc1 2360437 OQGCDSXZUITRFQ-FPOVZHCZSA-N 343.898 4.825 0 40 EJAB Cc1ccccc1-c1nc(-c2ccc(NC(=O)c3ccco3)cc2)no1 2930838 KSQNXJNBLJRCNB-UHFFFAOYSA-N 345.358 4.557 0 40 EJAB C[C@H](Nc1ccccc1Oc1ccccc1)C(=O)NCc1ccccc1 3491588 AISKKZUUSSRYIG-KRWDZBQOSA-N 346.430 4.596 0 40 EJAB CC(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 4073876 XXSFRYVGIQYVIQ-RDTLVLTASA-N 330.512 4.761 0 40 EJAB biogenic Cc1cccc(CSc2ccc(-c3sc(C)nc3C)nn2)c1 4392153 WMYHKFXKHBQFOX-UHFFFAOYSA-N 327.478 4.818 0 40 EJAB CC1(C)c2ccccc2C(=O)[C@]1(Br)Cc1ccccc1 5105014 IBZBRWLTMMGQFE-GOSISDBHSA-N 329.237 4.537 0 40 EJAB COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3CC(C)C)cc1 5218326 PBZXUXBYDBXDLZ-PZJWPPBQSA-N 336.435 4.611 0 40 EJAB CCCCc1ccc(N(C)C(=O)COc2ccc(Cl)cc2)cc1 6399446 NCBCZZJMGTYNRB-UHFFFAOYSA-N 331.843 4.724 0 40 EJAB CCCn1c(C)cc(-c2csc(NC(=O)c3ccccc3)n2)c1C 6938983 PJHLRECNECQREZ-UHFFFAOYSA-N 339.464 4.891 0 40 EJAB COC(=O)c1ccc(-c2ccc(CN[C@H](C)c3ccccc3)o2)cc1 7538810 OPDHHCWBHYXYCA-OAHLLOKOSA-N 335.403 4.584 0 40 EJAB Cc1cccc(N(CC(=O)c2cccs2)C2=NCCCCC2)c1 8414616 NAOJFHQGGATXIM-UHFFFAOYSA-N 326.465 4.718 0 40 EJAB CCCOc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1OC 9225819 MIADPEZANNKBKG-UHFFFAOYSA-N 335.403 4.890 0 40 EJAB CC(=O)N(c1ccccc1)c1nc(CSc2ccccn2)cs1 11334749 RIOGYNAZJXXMLJ-UHFFFAOYSA-N 341.461 4.515 0 40 EJAB Cc1cccc(NC(=O)c2cccc(OCc3cscn3)c2)c1C 12754948 FAGNPMBRXOHZOI-UHFFFAOYSA-N 338.432 4.591 0 40 EJAB CN(C(=O)c1ccc(Cl)c(Cl)c1)c1nc2ccccc2s1 12810845 CMVBZSCTSCQPFC-UHFFFAOYSA-N 337.231 4.880 0 40 EJAB O=C(Cc1cccc(C(F)(F)F)c1)Nc1cccc(Cl)c1F 15997440 GAAIVDKHPKKARB-UHFFFAOYSA-N 331.696 4.679 0 40 EJAB CCc1ccc(Nc2nn(-c3ccccc3)c3c2C(=O)C[C@@H](C)C3)cc1 20671952 IDFFOGRFTBZYPR-HNNXBMFYSA-N 345.446 4.943 0 40 EJAB O=C(Nc1cccc(OC(F)(F)F)c1)c1ccccc1C(F)(F)F 31077007 ULBWPNFTHIOHAC-UHFFFAOYSA-N 349.230 4.856 0 40 EJAB Cc1ccccc1NC(=O)N[C@@H](C)c1ccccc1Br 43135498 WZGFAHIJGHZYCT-LBPRGKRZSA-N 333.229 4.640 0 40 EJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N(C)Cc1ccc(Cl)cc1 44899831 AUPDOGFMIZNYKN-LJQANCHMSA-N 345.870 4.773 0 40 EJAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)N[C@H](C)c2cc(C)ccc2C)c1 44900066 GKPGGMBXKNINMO-RTBURBONSA-N 339.479 4.873 0 40 EJAB CC(C)NC(=O)N(Cc1ccc(-c2cccc(F)c2)s1)C(C)C 48353612 NOIUQHBESPDJCG-UHFFFAOYSA-N 334.460 4.883 0 40 EJAB COc1cc([C@@H](C)NCc2ncccc2C)ccc1SC(F)F 95967777 OTXYRKGTJFFCOP-GFCCVEGCSA-N 338.423 4.564 0 40 EJAB CCc1ccccc1O[C@H](C)C(=O)N[C@H](CC)c1ccc(C)cc1C 219295936 KDHWAMPUQSTENV-YLJYHZDGSA-N 339.479 4.901 0 40 EJAB CCCOc1ccccc1CCCNC(=O)Nc1ccc(Cl)cc1 222635704 PXOQZGNMYYTASE-UHFFFAOYSA-N 346.858 4.883 0 40 EJAB Cc1ccc(CCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 224989604 IJRBTVZIFJYGKK-UHFFFAOYSA-N 345.870 4.555 0 40 EJAB CCc1ccc(CC)c(CNC(=O)[C@H](C)Oc2cccc(C)c2C)c1 225690182 HUBXRUKISZOYPG-KRWDZBQOSA-N 339.479 4.512 0 40 EJAB COc1ccc(C2=NN(C(C)=O)[C@@H](c3ccccc3)C2)c2ccccc12 226760853 DNPWFQFJGUHGAF-OAQYLSRUSA-N 344.414 4.546 0 40 EJAB CC[C@]1(O)CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](CC[C@H]4O)[C@H]3CC[C@@]2(C)C1 253617415 LGGIZFYVYSKSFW-SFPMRMGKSA-N 334.544 4.921 0 40 EJAB O=C(c1ccc2ncccc2c1)N1CC2(CCCC2)c2c(F)cccc21 500147064 XZMQKLYWOMSIDX-UHFFFAOYSA-N 346.405 4.846 0 40 EJAB Fc1cccc2oc(N3CCCC[C@H]3c3nc4ccccc4[nH]3)nc12 574720086 LUDFQDDHYQALCP-HNNXBMFYSA-N 336.370 4.575 0 40 EJAB CC(C)c1c(C(F)(F)F)nc2ccc(OC(F)(F)F)cc2c1O 685938082 JGECKEBAGUZREN-UHFFFAOYSA-N 339.235 4.981 0 40 EJAB Fc1ccc(NC(=S)Nc2ccc(Br)cc2)c(F)c1 49042 NVJGYQWFOMRRPT-UHFFFAOYSA-N 343.196 4.536 0 40 EJAB C/C=C/COc1cc2c(cc1[C@@H](C)c1ccc(OC)cc1)OCO2 1584429 OAANJINSLHMPTL-NNTXTVRGSA-N 326.392 4.531 0 40 EJAB CC(=O)c1cccc(NC(=O)C2(c3ccc(Cl)cc3)CCC2)c1 3547179 ZYGMGRPXEDMHDS-UHFFFAOYSA-N 327.811 4.603 0 40 EJAB Cc1ccc2nc(-c3cccs3)c(Nc3ccc4c(c3)OCO4)n2c1 3911512 QOMMRDJSPNCRHA-UHFFFAOYSA-N 349.415 4.844 0 40 EJAB CCCOc1cccc(C(=O)Nc2nc(-c3ccccc3)cs2)c1 5469452 HNAKUGPSLOPIFG-UHFFFAOYSA-N 338.432 4.851 0 40 EJAB Cc1cc(OCC(=O)N[C@@H](C)c2cccc(Cl)c2)ccc1Cl 6654240 WQYWEMDGNBDHAP-LBPRGKRZSA-N 338.234 4.558 0 40 EJAB Cc1cc(CSc2nnc(-c3ccc(C(C)(C)C)cc3)o2)no1 7752413 QIBXFAJSVWOFTR-UHFFFAOYSA-N 329.425 4.623 0 40 EJAB O=C(c1ccccc1)N1CCc2sccc2[C@@H]1c1cccs1 7947049 KCMKURXPLXDGKE-QGZVFWFLSA-N 325.458 4.598 0 40 EJAB Cc1ccccc1-c1nc2ccc(NC(=O)Cc3ccccc3)cc2o1 8188106 JRFPZARVOQUJAI-UHFFFAOYSA-N 342.398 4.984 0 40 EJAB Cc1ccc(Nc2nc(Nc3ccc(C)cc3)c3nccnc3n2)cc1 9074249 IEBGFEQCCYAMRT-UHFFFAOYSA-N 342.406 4.524 0 40 EJAB COc1ccccc1[C@H](C)NC(=O)N[C@@H](C)c1cc2ccccc2o1 10275106 QVVLXKDZMQBKNR-KBPBESRZSA-N 338.407 4.563 0 40 EJAB COc1ccc(-c2ccc(SCc3cccc(F)c3)nn2)cc1 10452410 PVVNLPPVHSZUBS-UHFFFAOYSA-N 326.396 4.584 0 40 EJAB CC(C)N(Cc1ccccc1)Cn1nc(-c2cccs2)[nH]c1=S 12972972 YVBJVYZASBABQT-UHFFFAOYSA-N 344.509 4.537 0 40 EJAB C[C@H](NC(=O)c1cccnc1Cl)c1ccc(Cl)c(Cl)c1 14113508 GWJCZRZQPRYTIN-QMMMGPOBSA-N 329.614 4.533 0 40 EJAB CCc1nc2ccccc2n1CC(=O)Nc1c(C)cccc1C(C)C 17338987 QNCMHATTWUNQRW-UHFFFAOYSA-N 335.451 4.669 0 40 EJAB CN(C(=O)c1ccc(CSc2ccccc2)cc1)C1CCCC1 20492536 FAOWIRBOSJOLCI-UHFFFAOYSA-N 325.477 4.994 0 40 EJAB C[C@@H](Sc1ccc(F)cc1F)C(=O)Nc1cccc2ncccc12 26883443 AEDBUKBHEQAYBT-LLVKDONJSA-N 344.386 4.632 0 40 EJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N1CCc2ccccc21 38757293 JHCRFXFWJYAYMA-HXUWFJFHSA-N 331.415 4.587 0 40 EJAB O=C(CCc1ccc(Cl)cc1Cl)Nc1c(F)cccc1F 44597405 CVLUJMKJQUFKDW-UHFFFAOYSA-N 330.161 4.843 0 40 EJAB COc1ccc([C@H](CC(C)C)NC(=O)CSc2ccccc2)cc1 44903939 ZNLLBUFVCVYDSR-IBGZPJMESA-N 343.492 4.691 0 40 EJAB Cc1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)cc1C 57412457 LQUPOCABPXFHRD-UHFFFAOYSA-N 325.799 4.599 0 40 EJAB CC[C@@H](Oc1ccc(C)cc1)C(=O)N[C@H](C)c1cc(C)ccc1C 59351522 NBBSVZDCVQXPIE-YLJYHZDGSA-N 325.452 4.647 0 40 EJAB Cc1c(F)cccc1NC(=S)Nc1ccccc1C(F)(F)F 67219585 YFEBURKQDXAIKW-UHFFFAOYSA-N 328.334 4.962 0 40 EJAB CC(C)(C)c1ccc(C(=O)NCc2ccc(C(F)(F)F)cc2)cc1 72331403 GLTNBQPDWRMSKV-UHFFFAOYSA-N 335.369 4.933 0 40 EJAB Fc1ccccc1Cc1cccc([C@H]2CCCN2Cc2cccnc2)n1 72357678 ZGFRJZOABJARIB-JOCHJYFZSA-N 347.437 4.544 0 40 EJAB CC(C)n1ccnc1CN[C@H](c1ccc(F)cc1)c1cccs1 95411945 CDCIJCSDOOYMAP-GOSISDBHSA-N 329.444 4.544 0 40 EJAB CC1=C[C@H]2c3c(O)cc(CCCCC(=O)O)cc3OC(C)(C)[C@@H]2CC1 95864994 CWNRMLSJCWFXPH-HZPDHXFCSA-N 344.451 4.801 0 40 EJAB COc1cccc(CN2C(=O)[C@H]3CCCC3=Nc3cc(C)c(C)cc32)c1 101945941 MTSCOKFYMOYRPM-SFHVURJKSA-N 348.446 4.731 0 40 EJAB CC(C)(C)OC(=O)N1CCC[C@@H]1c1ccc(Br)c(F)c1 199830712 DEDMDHLMXDRJDX-CYBMUJFWSA-N 344.224 4.660 0 40 EJAB Cc1ccc(-c2nc3cc(Cl)cc(Br)c3[nH]2)cc1N 216919642 IVXXADGSBWTQOW-UHFFFAOYSA-N 336.620 4.536 0 40 EJAB CC[C@H](NC(=O)[C@@H](C)Oc1ccccc1Cl)c1ccc(C)cc1C 219060879 ABERZECGNQQJIW-QAPCUYQASA-N 345.870 4.992 0 40 EJAB Cc1ccc(C(C)C)c(OCC(=O)N(C)Cc2ccc(Cl)cc2)c1 224580591 MMUOJQVHOVMIRR-UHFFFAOYSA-N 345.870 4.809 0 40 EJAB CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(C(F)(F)F)cc2)C1=O 409011242 NDNLYWUPNTVVSA-YXYQAXARSA-N 329.343 4.540 0 40 EJAB Cc1cc(C(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)ccc1O 1632312011 KNHTYMNJCGWLSV-INIZCTEOSA-N 331.415 4.859 0 40 EJAB Fc1cc(F)cc(-c2nsc(Sc3cc(F)ccc3F)n2)c1 1651319077 YQZRTCOFTXEPLT-UHFFFAOYSA-N 342.342 4.913 0 40 EJAB CC(C)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H]2c2ccccc2)cc1 1663243140 HCNZCUIBQWNUFD-JXFKEZNVSA-N 343.492 4.582 0 40 EJAB COc1cccc(/C=C2/C(=O)N(c3ccccc3)c3ccccc32)c1 574936 WRAOPMAPMGJMJH-HMMYKYKNSA-N 327.383 4.914 0 40 EJAB Cc1cc2cc3c(c(C(=O)O)c2o1)C(=O)c1ccc2ccccc2c1C3 1613028 AEDYUAFDFUKASN-UHFFFAOYSA-N 342.350 4.728 0 40 EJAB O=C(c1cc2ccccc2o1)[C@@H](Cc1ccccc1)N1CCCCC1 3355888 DOCXWYDRIZSBRT-LJQANCHMSA-N 333.431 4.713 0 40 EJAB O=C(CCC1CCCCC1)Nc1cccc(-c2cn3cccnc3n2)c1 4033002 YKGNIINLCOZGQI-UHFFFAOYSA-N 348.450 4.695 0 40 EJAB O=C(NC(=S)N(c1ccccc1)c1ccccc1)c1cccs1 4688099 BHXDMYVIHYWRRL-UHFFFAOYSA-N 338.457 4.601 0 40 EJAB CCN(CC)C(=O)c1csc(Nc2cccc3ccccc23)n1 4688476 VVGJMVYMOROCKQ-UHFFFAOYSA-N 325.437 4.522 0 40 EJAB CCCCCOc1ccccc1/C=C1\N=C(c2ccccc2)OC1=O 4713838 USZGBMPKONCLGV-SDXDJHTJSA-N 335.403 4.600 0 40 EJAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2c1c[nH]cn1 4715096 BBUJYEQSYYZBDG-SPHVDITISA-N 340.511 4.817 0 40 EJAB in-vitro O=C(Nc1ccc(Cl)cc1)Nc1nnc(/C=C/c2ccccc2)o1 5767083 HTTBLQKEFMVRJF-IZZDOVSWSA-N 340.770 4.537 0 40 EJAB Cc1cc(Cl)ccc1OCCCC(=O)Nc1ccc(N(C)C)cc1 5935166 FVYVYDHDIHWNLP-UHFFFAOYSA-N 346.858 4.512 0 40 EJAB CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)N(C)Cc1ccccc1F 6637452 ADGWYZAXVIOGRE-HZPDHXFCSA-N 342.458 4.798 0 40 EJAB CCC(CC)NC(=O)c1cccnc1Sc1ccccc1Cl 6650690 IZBSRINBKGSDMG-UHFFFAOYSA-N 334.872 4.805 0 40 EJAB Cc1ccc2c(CC(=O)N(C)Cc3ccc(Cl)s3)coc2c1 8276439 FXCCBQLZFCLFFZ-UHFFFAOYSA-N 333.840 4.657 0 40 EJAB CCc1ccc(-n2nc(C)c3c2N=C(O)C[C@@H]3c2cccs2)cc1 9576209 YTTMJFUXKCZELI-OAHLLOKOSA-N 337.448 4.928 0 40 EJAB C[C@H](c1nc2cc(Cl)ccc2n1Cc1ccccc1)N1CCCC1 12520390 CUFMAJNGORLFDW-OAHLLOKOSA-N 339.870 4.895 0 40 EJAB C[C@@H](c1ccc(F)cc1)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 12794935 KWZMIUFGBPPYSM-LBPRGKRZSA-N 345.805 4.722 0 40 EJAB Cc1ccccc1OCC(=O)Nc1ccc(OCc2ccccc2)cc1 14036294 WWSIPQJLLWMUJX-UHFFFAOYSA-N 347.414 4.592 0 40 EJAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCCSc2ccccc21 14229746 IEHXZVNZBJNVFG-CYBMUJFWSA-N 347.867 4.636 0 40 EJAB CCOc1ccccc1NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 14396591 IHYQKVHNBINIAZ-HNNXBMFYSA-N 341.451 4.789 0 40 EJAB Cc1ccc(NC(=O)C2=Cc3cc(Cl)ccc3OC=C2)cc1C 15838531 RGXDWTGXBJEKOY-UHFFFAOYSA-N 325.795 4.885 0 40 EJAB C[C@H](NC(=O)c1cccc2ccccc12)c1ccc(-n2ccnc2)cc1 21920915 JQQOSQMBTYOXQN-INIZCTEOSA-N 341.414 4.517 0 40 EJAB CCOc1ccccc1NC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 23055376 XLFZYVWWAWYECW-CQSZACIVSA-N 348.446 4.944 0 40 EJAB Cc1ccc(-c2cc(C(=O)Nc3nc4ccccc4s3)no2)cc1C 27990110 HEJVJLKLVLESRC-UHFFFAOYSA-N 349.415 4.820 0 40 EJAB Cc1cc(C)c(NC(=O)CN(C)[C@H]2CCc3ccccc32)c(Cl)c1 29484428 MAWRXXWLIFNTLF-SFHVURJKSA-N 342.870 4.515 0 40 EJAB Cc1ccc(NC(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1 35312968 ZVAILWHLCPHLAK-UHFFFAOYSA-N 335.407 4.548 0 40 EJAB Oc1nc(-c2ccccn2)nc2cc(-c3ccccc3Cl)sc12 53857057 OIYJWYXRILSNOF-UHFFFAOYSA-N 339.807 4.779 0 40 EJAB Cc1cc(C)cc(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)c1 57412182 AMYGLFYOBAWYHV-UHFFFAOYSA-N 325.799 4.599 0 40 EJAB CC(C)[C@@H](NC(=O)COc1ccc2ccccc2c1)c1ccccc1 67192417 DJXKMJFEBLAKSI-JOCHJYFZSA-N 333.431 4.732 0 40 EJAB Cc1c(C(=O)Nc2ccnn2C2CCCC2)sc2ccccc12 69454923 YWGCYXDESQOXDY-UHFFFAOYSA-N 325.437 4.774 0 40 EJAB CN1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 72215457 WGMWVMSCMGZMBR-QGZVFWFLSA-N 345.487 4.532 0 40 EJAB Cc1cc2nc(N[C@@H]3CCC[C@@H](C(F)(F)F)C3)c3ccccc3n2n1 89610782 XUQDFFJVAWXULZ-CHWSQXEVSA-N 348.372 4.724 0 40 EJAB Fc1ccc(-c2nnc(CNc3cc(Cl)ccc3Cl)o2)cc1 95952509 RAZGPNXCNVVPML-UHFFFAOYSA-N 338.169 4.795 0 40 EJAB O=C(Nc1cc(Cl)cc(Cl)c1)c1cc(-c2ccccc2)on1 96656785 ITIVTUADOFXRDB-UHFFFAOYSA-N 333.174 4.901 0 40 EJAB CSc1ccc([C@H]2C3=C(O)CCCC3=Nc3onc(C)c32)cc1 102718926 NRMAFGQFCVSLNO-MRXNPFEDSA-N 326.421 4.919 0 40 EJAB Nc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1Cl 147978773 TURRCFYSJTWMPE-UHFFFAOYSA-N 349.139 4.847 0 40 EJAB Cc1ccc(CN(C)C(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)cc1 223653974 DJSUQVHAIZKGBB-GOSISDBHSA-N 339.479 4.853 0 40 EJAB Cc1cccc(C[C@@H](Oc2ccc(C(C)(C)C)cc2)C(=O)O)c1C 225022623 TWTHZJGFUJIBFV-LJQANCHMSA-N 326.436 4.676 0 40 EJAB CC(C)c1ccc(CNc2cc(Cl)ccc2N2CCOCC2)cc1 226240391 RWUUQTVGYBXUDI-UHFFFAOYSA-N 344.886 4.912 0 40 EJAB C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(-c2cc(N)ccc2Cl)o1 226305215 OBWPYYLEBHENHC-VXGBXAGGSA-N 332.831 4.585 0 40 EJAB Cc1ccc(NC(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)c(N)c1 226349169 JBTLTPYITMMGBE-UHFFFAOYSA-N 344.773 4.882 0 40 EJAB CCc1ccc(C(=O)Nc2cccc(-c3ccc(C(=O)O)o3)c2C)cc1 226355844 USMCMYYENJBSKL-UHFFFAOYSA-N 349.386 4.768 0 40 EJAB COc1cccc(NC(=O)c2sc3cc(F)ccc3c2Cl)c1 380976 RMCYZYVDAAZQGW-UHFFFAOYSA-N 335.787 4.955 0 40 EJAB Cc1ccc(NC(=O)c2ccccc2OCC(=O)c2ccccc2)cc1 993168 YUOLLRXQAODKMA-UHFFFAOYSA-N 345.398 4.509 0 40 EJAB Cc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)o1 1007295 GCPZHKOWNSMENP-HNAYVOBHSA-N 336.416 4.892 0 40 EJAB O=C(c1ccc(Cl)cc1)N(C(=O)N1CCCCC1)c1ccccc1 1651720 CWRGBKCHQVQJLG-UHFFFAOYSA-N 342.826 4.593 0 40 EJAB Cc1ccc(C)c(COc2ccc3c4c(c(=O)oc3c2)CCCC4)c1 2551150 FMNXAUGLRQXWBM-UHFFFAOYSA-N 334.415 4.868 0 40 EJAB O=C1N(c2cccc(C(F)(F)F)c2)[C@@H](c2ccc(F)cc2)C1(F)F 3179871 ANVZUBJKXRJHBJ-ZDUSSCGKSA-N 345.242 4.568 0 40 EJAB O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)c1ccccc1F 3268890 QXODJKDIYOZQRE-HXUWFJFHSA-N 334.346 4.607 0 40 EJAB O=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)c1ccccc1 3328669 XSMNKYIZINDWTQ-HXUWFJFHSA-N 340.426 4.730 0 40 EJAB Cc1c(C(=O)N(C)Cc2ccc(OC(F)F)cc2)oc2ccccc12 3333959 KXQGZSLRMAFXNI-UHFFFAOYSA-N 345.345 4.615 0 40 EJAB O=C(O)c1c2c(nc3ccccc13)/C(=C/c1ccc(F)cc1)CCC2 3885057 DFJBOLNIHJRSHP-WYMLVPIESA-N 333.362 4.949 0 40 EJAB C[C@@H]1C(=O)OC[C@H]1C(c1ccccc1)(c1ccccc1)c1ccccc1 5187403 DKOSWZCNBQSOEC-PGRDOPGGSA-N 342.438 4.830 0 40 EJAB CN(C)c1ccc(NC(=O)c2ccc(OCc3ccccc3)cc2)cc1 6830409 PQPAXYNHGAGXCV-UHFFFAOYSA-N 346.430 4.584 0 40 EJAB Cc1occc1-c1nc(NCc2cccs2)ncc1-c1ccncc1 12222868 SXVBNPPYXVDFHM-UHFFFAOYSA-N 348.431 4.781 0 40 EJAB CCCc1ccc(N[C@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)cc1 12739794 YXLYVOUETGZJMB-GFCCVEGCSA-N 341.480 4.727 0 40 EJAB CCOc1ccc(OCC)c(NC(=O)C[C@@H](C)c2ccccc2)c1 12767508 TZDHDJWTJLGMEP-OAHLLOKOSA-N 327.424 4.616 0 40 EJAB Cc1ccc(F)cc1NC(=S)Nc1cccc(C(F)(F)F)c1 13840409 QHJXBSDCBJPMRF-UHFFFAOYSA-N 328.334 4.962 0 40 EJAB CC(C)(C)c1ccc(C(=O)N2CCc3cc4ccccc4nc32)cc1 15841761 SYXNOZYQAUUKKW-UHFFFAOYSA-N 330.431 4.735 0 40 EJAB CC1CCN(C(=O)c2ccc(CSc3ccccc3)cc2)CC1 16609166 GUTZTKQEODLCIO-UHFFFAOYSA-N 325.477 4.851 0 40 EJAB Fc1cccc(CSc2nccn3nc(-c4ccccc4)cc23)c1 16842531 QIUVOGFLFBQSMP-UHFFFAOYSA-N 335.407 4.828 0 40 EJAB O=C(/C=C/c1ccccc1Cl)Nc1nnc(-c2ccccc2)s1 18702482 SFLSHLVTXMRNBR-ZHACJKMWSA-N 341.823 4.510 0 40 EJAB O=C(NCc1ccc(F)cc1)/C(=C/c1ccccc1)c1ccccc1 20045928 XMCRISTZZWFQLM-RCCKNPSSSA-N 331.390 4.683 0 40 EJAB O=C(NC1CCCCCCC1)c1cccnc1SCC(F)(F)F 22884029 QUFMVAVHWQSZJN-UHFFFAOYSA-N 346.418 4.579 0 40 EJAB Cc1[nH]c2ccc(-c3nnc(SCc4cccnc4)o3)cc2c1C 35313326 LALKQADGYJKDTN-UHFFFAOYSA-N 336.420 4.522 0 40 EJAB O=C(NC1CCCC1)c1scc(-c2ccccc2)c1-n1cccc1 38653815 RLQXYXDPGDCKRN-UHFFFAOYSA-N 336.460 4.878 0 40 EJAB Cc1ccc(NC(=O)N[C@H](C)c2ccc(OC(F)(F)F)cc2)cc1 40072754 VHGCRPWZUBQSLA-GFCCVEGCSA-N 338.329 4.776 0 40 EJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N[C@@H](C)c1ccc(C)cc1C 44839181 SMWOPRXXKCGPRJ-RXVVDRJESA-N 339.479 4.955 0 40 EJAB Cc1cccc(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)c1C 57412202 LTUBFPZTYAFLSP-UHFFFAOYSA-N 325.799 4.599 0 40 EJAB O=C(NCc1ccc(-c2ccc3c(c2)CCO3)cc1)Nc1ccccc1 60798569 ZRZUQQNCPAJHPT-UHFFFAOYSA-N 344.414 4.610 0 40 EJAB Cc1nc(-c2cccs2)sc1C(=O)NC(C)(C)c1ccccc1 65402593 DFSLIYXKBZYDEJ-UHFFFAOYSA-N 342.489 4.845 0 40 EJAB CC(C)(NC(=O)c1ccc(Sc2ccccn2)cc1)c1ccccc1 65478152 MUJSOIMFYYNXAP-UHFFFAOYSA-N 348.471 4.898 0 40 EJAB C[C@@H](NC(=O)/C=C/c1cccc(-c2ccccc2)c1)c1ccccn1 70036534 PPTLTJZCHTYPIP-TUQDCPSNSA-N 328.415 4.639 0 40 EJAB CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1CC 72215213 QMLMGOLARUOWJV-NVXWUHKLSA-N 347.503 4.778 0 40 EJAB CC(C)Sc1ccc([C@H]2CCCCN2C(=O)c2ccccc2)cn1 72217518 JALSWQRWGJIDIS-GOSISDBHSA-N 340.492 4.950 0 40 EJAB CCCCCc1ccc([C@@H](CC)N[C@H](C)c2nnc3n2CCC3)cc1 95940745 GNKRTYNTCIBSJZ-VQIMIIECSA-N 340.515 4.759 0 40 EJAB CCc1c(C)nc2ccccc2c1NC(=O)c1ccc(OC(C)C)nc1 96006633 HSKJQQNMIDQNFY-UHFFFAOYSA-N 349.434 4.540 0 40 EJAB CC(=O)Nc1ccc([C@@H]2O[C@@H]3CCCC[C@@H]3c3sccc32)cc1 105787731 PZBHSMRWTXJCIK-JQHSSLGASA-N 327.449 4.852 0 40 EJAB Cc1sc([C@@H](C)NC2CCOCC2)nc1-c1ccc(Cl)cc1 168585029 CAUVUPVMZRENHZ-LLVKDONJSA-N 336.888 4.602 0 40 EJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCC1CCCCC1 224462005 YOWMHPLSBAPFBZ-HXUWFJFHSA-N 325.452 4.694 0 40 EJAB O=C(O)[C@H](Cc1cc(Cl)cc(Cl)c1)Sc1ccccc1 225092026 YBYSYCALUWIPLC-AWEZNQCLSA-N 327.232 4.781 0 40 EJAB Cc1ccc(NC(=O)NCc2ccnc(-c3cccs3)c2)cc1C 225652583 XJWOBMUFWZPOQA-UHFFFAOYSA-N 337.448 4.749 0 40 EJAB CCCN1C(=O)S/C(=C\c2ccc(-c3cccc(F)c3)o2)C1=O 409010518 FHHHRUICZXZKIU-GDNBJRDFSA-N 331.368 4.532 0 40 EJAB Cn1ccc2ccc(NC(=O)[C@@H]3CCC[C@H]3Cc3ccccc3)cc21 1522672502 LZAIWKVAMJVYJJ-AZUAARDMSA-N 332.447 4.776 0 40 EJAB Cc1cccc(NC(=O)c2ccccc2OCC(=O)c2ccccc2)c1 993206 UAALGIHYZYBMSN-UHFFFAOYSA-N 345.398 4.509 0 40 EJAB COc1cnc(SC)nc1Sc1ccc(Cl)c(Cl)c1 1391929 UXGRKFNCVHUPGE-UHFFFAOYSA-N 333.265 4.665 0 40 EJAB O=C(OCc1ccccc1CN1CCCCC1)c1cccc(Cl)c1 1716149 MWFRQHGEUHFZDM-UHFFFAOYSA-N 343.854 4.683 0 40 EJAB CC1(C)C[C@H](CNCC[C@H](c2ccc(F)cc2)c2ccco2)CCO1 1821198 PVZQSKKTJZATRH-VQIMIIECSA-N 345.458 4.736 0 40 EJAB CCCCC(=O)Nc1cc2nn(-c3ccc(Cl)cc3)nc2cc1C 2121728 DNXURYBGZYBJMC-UHFFFAOYSA-N 342.830 4.511 0 40 EJAB Cc1ccc2[nH]cc(CCNC(=O)c3cccc4ccccc34)c2c1 2237811 DELDAOSYNSVUKG-UHFFFAOYSA-N 328.415 4.602 0 40 EJAB O=C(Cc1c(Cl)cccc1Cl)N[C@@H]1CCCc2ccccc21 3360843 QYHGGSJKFNEWLV-QGZVFWFLSA-N 334.246 4.730 0 40 EJAB Cc1ccc([C@H]2c3cccn3CCN2C(=S)Nc2ccccc2)cc1 4059441 FTNYFPBHMLNLPX-FQEVSTJZSA-N 347.487 4.599 0 40 EJAB COc1ccc2sc(Nc3ccc(Br)cc3)nc2c1 5087646 HJIQWEBLVQWUMD-UHFFFAOYSA-N 335.226 4.811 0 40 EJAB Cc1ccc(-c2cc3ccccc3nc2N2C[C@@H](C)O[C@H](C)C2)cc1 5342374 KOOXOTGGCKGOBM-IAGOWNOFSA-N 332.447 4.824 0 40 EJAB CCc1ccc(Cl)c(CC)c1NC(=O)COc1cccc(F)c1 7801705 SMIGEFOQTOFDFH-UHFFFAOYSA-N 335.806 4.621 0 40 EJAB Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C\c2ccccc2F)S1 8277663 GYLOKFAFKUZIAX-OQLLNIDSSA-N 346.814 4.679 0 40 EJAB Cc1cc(NC(=O)c2c(C)nc3ccccc3c2-c2ccccc2)no1 11116957 WOJAVMAAJJXKFV-UHFFFAOYSA-N 343.386 4.759 0 40 EJAB COc1ccc(N(Cc2cccs2)C(=O)c2cccs2)cc1 11916517 FEVPDRVGBYYVCL-UHFFFAOYSA-N 329.446 4.665 0 40 EJAB COc1ccc2cc([C@@H](C)C(=O)N(C)Cc3ccccc3)ccc2c1 12773324 DZSKFGVLBATSQO-MRXNPFEDSA-N 333.431 4.611 0 40 EJAB CCN(CC)c1ccc(-c2n[nH]c(=S)n2-c2ccccc2C)cc1 13636405 XAJRGLUHUADUFU-UHFFFAOYSA-N 338.480 4.752 0 40 EJAB CC(C)(C)c1ccc(-c2csc(NC(=O)c3ccccn3)n2)cc1 16005583 YSFDDAYMUWOHIQ-UHFFFAOYSA-N 337.448 4.755 0 40 EJAB Cc1ccc(-n2ncc3c2C[C@H](c2ccc(Cl)cc2)CC3=O)cc1 20632946 XXGNGEYGPVFSEM-HNNXBMFYSA-N 336.822 4.747 0 40 EJAB O=C(Nc1nc(-c2cccc(F)c2)cs1)C1(c2ccccc2)CC1 25322131 UGQFRDGTIUZSEA-UHFFFAOYSA-N 338.407 4.620 0 40 EJAB Fc1cccc(-c2nc(COc3ccccc3Br)co2)c1 26013866 REDJZHDCGCOLSN-UHFFFAOYSA-N 348.171 4.822 0 40 EJAB O=C(CSc1nccn1-c1ccccc1)c1ccc(Cl)s1 26127800 WQEFHUAJDPLEFC-UHFFFAOYSA-N 334.853 4.562 0 40 EJAB Cc1ccc(NC(=O)Nc2ccn(Cc3ccccc3C)n2)c(C)c1 27916233 DRXYQOJICFPVCX-UHFFFAOYSA-N 334.423 4.501 0 40 EJAB c1ccc2cc(OCNCOc3ccc4ccccc4c3)ccc2c1 31628800 RJWLOMJQDXLVNH-UHFFFAOYSA-N 329.399 4.955 0 40 EJAB COc1ccccc1Nc1ccccc1C(=O)Nc1ccccc1F 32598918 TXHPWJOZCJEILP-UHFFFAOYSA-N 336.366 4.830 0 40 EJAB O=C(CCSCc1cccc(F)c1F)Nc1cccc(Cl)c1 32778787 FEZJCINAALLESI-UHFFFAOYSA-N 341.810 4.880 0 40 EJAB O=C(Nc1cccnc1)[C@@H]1CCCC[C@H]1c1nc2ccccc2s1 32904766 IAALHLOENOLSNC-HUUCEWRRSA-N 337.448 4.604 0 40 EJAB Cc1cc(C(=O)Nc2ccccc2)c2c(-c3ccccc3F)noc2n1 36618503 DXWQNNYNCZGDSJ-UHFFFAOYSA-N 347.349 4.590 0 40 EJAB CCc1ccc([C@H](C)NC(=O)CCCOc2ccc(C)cc2)cc1 224223108 ULKGWUIBDVCPJD-KRWDZBQOSA-N 325.452 4.594 0 40 EJAB O=C(O)[C@H](Cc1ccc(Oc2ccccc2)cc1)OCc1ccccc1 225111517 YQYRRNVNSYESPG-NRFANRHFSA-N 348.398 4.691 0 40 EJAB C[C@H](CCc1ccccc1)NC(=S)Nc1ccc2sncc2c1 225173397 ODFOPWJJAVBGFP-CYBMUJFWSA-N 341.505 4.604 0 40 EJAB CC(C)[C@H](C)NC(=O)c1ccc(OCc2ccccc2Cl)cc1 225210850 LDCFCNYYEBWZSQ-AWEZNQCLSA-N 331.843 4.693 0 40 EJAB Fc1cccc(F)c1NC(=S)NCCCSC1CCCCC1 225590953 MFGIQAQZJXAKSD-UHFFFAOYSA-N 344.496 4.707 0 40 EJAB CC(C)c1ccc([C@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)cc1 260781533 SWAVXGWNCSWPMS-ZMYBRWDISA-N 337.492 4.794 0 40 EJAB Cc1ccccc1NC(=O)NCCc1ccc(-c2ccoc2)s1 390831796 UZHSXUYBJKFHMZ-UHFFFAOYSA-N 326.421 4.681 0 40 EJAB CCCCOc1ccc(Cl)cc1C(=O)Nc1cccc(OC)c1 408587161 RIQHFJQQMHVUTO-UHFFFAOYSA-N 333.815 4.780 0 40 EJAB CC[C@H](C)Oc1ccccc1/C=C1/SC(=O)N([C@H](C)CC)C1=O 409010141 JSRSAXALTMZHFM-IGDPJRHMSA-N 333.453 4.699 0 40 EJAB O=C(COc1ccc(Cl)cc1C1CCCCC1)Nc1cccnc1 36273 MHWYHTGYUUOMBO-UHFFFAOYSA-N 344.842 4.800 0 40 EJAB CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H]1COc2ccccc2O1 138278 OYACKNDMELGOSJ-IBGZPJMESA-N 339.435 4.712 0 40 EJAB Cc1ccc(NC(=O)[C@H](C)c2cccc(C(=O)c3ccccc3)c2)cc1 363585 HYASNMPUEIKJSR-QGZVFWFLSA-N 343.426 4.968 0 40 EJAB COc1cc(-c2ccc(SC)cc2)cc(=O)c2c(C)oc(C)c12 526159 JWVOOUUXARMUMD-UHFFFAOYSA-N 326.417 4.807 0 40 EJAB biogenic O=C(c1ccc(Cl)cc1Cl)c1ccccc1CN1CCCC1 2515581 AVFDQAJRTXJNOJ-UHFFFAOYSA-N 334.246 4.820 0 40 EJAB C[C@H](c1ccco1)N(C(=O)c1ccc(Cl)s1)c1ccccn1 3183793 GFNIUVDTKGETNT-LLVKDONJSA-N 332.812 4.798 0 40 EJAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)CSc1nc2ccccc2[nH]1 3833245 BCPPWLRDMJKZJD-GRDNDAEWSA-N 346.496 4.659 0 40 EJAB CC(=O)N1c2cc(C)cc(C)c2[C@H]2OCC[C@H]2[C@@H]1c1cccs1 5050572 NOCGPOGIVZUDDQ-KYNGSXCRSA-N 327.449 4.550 0 40 EJAB Cc1cc(C)cc(OCC(=O)Nc2ccccc2-c2ccccc2)c1 5292663 MVVBTAUQQKQPBB-UHFFFAOYSA-N 331.415 4.988 0 40 EJAB COc1cc(C(=O)Nc2ccccc2C)ccc1OCc1ccccc1 6339453 AAPGUKOIIOSTCH-UHFFFAOYSA-N 347.414 4.835 0 40 EJAB CCOc1ccc(/C=C2\Sc3ccccc3C2=O)c(OCC)c1 6355105 DYINMRDBKFNQAC-WQRHYEAKSA-N 326.417 4.814 0 40 EJAB COCCNc1oc2c(c1-c1ccccc1)c(=O)oc1ccc(C)cc12 7636155 JSCDZUWPKNSCNA-UHFFFAOYSA-N 349.386 4.573 0 40 EJAB Cc1ccc(C(=O)CCC(=O)Nc2cccc(Cl)c2C)cc1C 8071838 OHIZHZLHTXOCAK-UHFFFAOYSA-N 329.827 4.867 0 40 EJAB CCCCc1ccc(NC(=O)CCc2nc(-c3ccccc3)no2)cc1 8074009 ZGUNLWIOPFQVJU-UHFFFAOYSA-N 349.434 4.651 0 40 EJAB CC[C@@H](C)NCc1ccc(OCc2cccc(Cl)c2)c(OC)c1 8325967 YVRYZJYTJNWDKD-CQSZACIVSA-N 333.859 4.816 0 40 EJAB c1ccc2c(c1)ncn2-c1ccc(Nc2ncnc3sccc23)cc1 12529423 UEEMZHVOVBUSQW-UHFFFAOYSA-N 343.415 4.774 0 40 EJAB CC[C@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccc(C)cc1 14219721 AKOGALAWYONYED-FQEVSTJZSA-N 339.460 4.578 0 40 EJAB O=C(O)Cc1ccc(NC(=O)N(c2ccccc2)c2ccccc2)cc1 18196090 CTRSGRMCOOCBEY-UHFFFAOYSA-N 346.386 4.684 0 40 EJAB Cc1ccc([C@H](C)NC(=O)CSCc2ccccc2C)c(C)c1 19932145 VULOXYCALIMHJF-KRWDZBQOSA-N 327.493 4.722 0 40 EJAB O=C(COc1ccccc1Cl)Nc1ccc(F)c(C(F)(F)F)c1 20022776 NFPNAAPLJBMJDK-UHFFFAOYSA-N 347.695 4.515 0 40 EJAB Cc1ccc(CN(C(=O)c2cc3cc(Cl)ccc3[nH]2)C(C)C)o1 48326899 JWCCBVQXSGAUDT-UHFFFAOYSA-N 330.815 4.774 0 40 EJAB CCc1ccc(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)cc1 57412190 QMQRCOSKBSWDDY-UHFFFAOYSA-N 325.799 4.545 0 40 EJAB Fc1cc(F)cc(NC(=S)Nc2cccc(OC(F)(F)F)c2)c1 71326270 VGBOGKRGUUMYKH-UHFFFAOYSA-N 348.296 4.672 0 40 EJAB Cc1cc(C(=O)NCCc2cccc3ccccc23)c(C)n1C1CC1 71844439 VEMPLFVRJWTUFE-UHFFFAOYSA-N 332.447 4.566 0 40 EJAB CO[C@](C)(CC(C)C)C(=O)Nc1ccc(OC2CCCC2)c(C)c1 225608428 LWBICDFYHFUUNB-HXUWFJFHSA-N 333.472 4.706 0 40 EJAB CCC[C@](C)(OC)C(=O)Nc1ccc(OCc2ccccc2)c(C)c1 225613193 NOJAOIZITKSQKE-NRFANRHFSA-N 341.451 4.718 0 40 EJAB COc1ccc(C(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)cc1C 225868495 AXJNAOHOKDRMSV-JOCHJYFZSA-N 345.442 4.831 0 40 EJAB CCc1cc(Br)cc(C)c1NC(=O)c1ccccc1F 226097471 NZHARYFQHGNQTB-UHFFFAOYSA-N 336.204 4.711 0 40 EJAB c1ccc([C@@H]2CCC[C@@H]2c2nc(-c3cc[nH]c4nccc3-4)no2)cc1 651395135 HMHXPZJYBZYXKZ-YOEHRIQHSA-N 330.391 4.616 0 40 EJAB O=C(Nc1ccc2oc(-c3ccccc3Cl)nc2c1)c1cccnc1 99341 PTZUPCNLXLJMFH-UHFFFAOYSA-N 349.777 4.796 0 40 EJAB COc1cccc(COc2ncnc3c(Cl)cc(Cl)cc23)c1 3285876 OHJPAUYEHWWVLU-UHFFFAOYSA-N 335.190 4.524 0 40 EJAB Clc1cccc(CNc2nc(-c3cccnc3)nc3ccccc23)c1 3348215 FAXCFEBKHKKKLV-UHFFFAOYSA-N 346.821 4.957 0 40 EJAB CCCCCC(=O)NCCCCCCCCNC(=O)CCCCC 5792247 MZMSOVPJCGASCU-UHFFFAOYSA-N 340.552 4.720 0 40 EJAB Cc1ccc(C2=Nn3c(nnc3C3CCCCC3)S[C@H]2C)cc1C 6087149 JNPMTINLOSIPQX-AWEZNQCLSA-N 340.496 4.689 0 40 EJAB Cc1c(O)ccc2c(CSc3ccccc3Cl)cc(=O)oc12 6351678 CYJSYDVOMCDGIU-UHFFFAOYSA-N 332.808 4.753 0 40 EJAB O[C@](CCN1CCCCC1)(Cc1ccccc1)c1cccc(Cl)c1 6580878 SFCOPAFRKWVMLA-OAQYLSRUSA-N 343.898 4.646 0 40 EJAB O=C(Nc1nnc(-c2ccc(Cl)cc2)o1)c1ccc2ccccc2c1 6865051 LOLOVGXXPCNSRL-UHFFFAOYSA-N 349.777 4.796 0 40 EJAB CC[C@@H](O)c1nc2ccccc2n1CCCOc1ccc(C)cc1C 7548890 WAIKSTFCCDFGHV-LJQANCHMSA-N 338.451 4.566 0 40 EJAB Cc1ccc2c(c1)c(/C=C\c1cc[n+](C)cc1)cn2Cc1ccccc1 8741333 NJCUXLMNSHSIHC-UHFFFAOYSA-N 339.462 4.993 0 40 EJAB O=C(Nc1ccc(Cl)cc1)c1occc1COc1ccccc1 12792802 PXBSDNBPYXLZBL-UHFFFAOYSA-N 327.767 4.764 0 40 EJAB CC(C)Cn1c(SCc2ccc(C(=O)O)cc2)nc2ccccc21 13354752 RALPICVJXVCILE-UHFFFAOYSA-N 340.448 4.683 0 40 EJAB C[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(F)cc1F 13709208 DZVCXIHJCRIWAK-LBPRGKRZSA-N 327.330 4.524 0 40 EJAB Cc1cccc(C)c1Oc1ccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 17988378 SCIWZTPUEVRHNT-OALUTQOASA-N 349.430 4.775 0 40 EJAB COc1cc(C)c(CN2CCCCC[C@H]2c2cc(C)no2)cc1C 19567355 GHRJEOOPWOUHFX-SFHVURJKSA-N 328.456 4.726 0 40 EJAB Cc1ccnc(NC(=O)CSCc2ccc(Cl)cc2Cl)c1 21001348 MBTKYTZCAUXMRY-UHFFFAOYSA-N 341.263 4.569 0 40 EJAB C[C@H](NC(=O)CCCc1cccs1)c1ccc(C(F)(F)F)cc1 40071852 OXBUBCLAGIFPQH-LBPRGKRZSA-N 341.398 4.967 0 40 EJAB O=C(c1csc(-c2ccccc2)n1)N1CCCc2ccc(F)cc21 40117256 NCCNYCTYCJXAJY-UHFFFAOYSA-N 338.407 4.542 0 40 EJAB C[C@H](c1cccnc1)N(C(=O)c1ccc(-c2cscn2)cc1)C1CC1 87238564 QSDWEJYXORNGOP-CQSZACIVSA-N 349.459 4.571 0 40 EJAB O=C(C1CCCC1)N(c1ccccc1)c1ncccc1Br 95974953 AHWZTIIWCDICGQ-UHFFFAOYSA-N 345.240 4.699 0 40 EJAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1cccc(C)c1 222932423 VVKVBALHORXWJS-FQEVSTJZSA-N 339.479 4.766 0 40 EJAB CSc1ccccc1NC(=O)[C@H](C)Oc1cccc2c1CCCC2 223783884 CKJHLHYWCDINFO-AWEZNQCLSA-N 341.476 4.693 0 40 EJAB COCc1cccc(NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)c1 225186002 XZOWRQMAPYOZBI-MRXNPFEDSA-N 341.451 4.671 0 40 EJAB CO[C@H](CNC(=O)c1cccc2ccccc12)c1ccc(Cl)s1 225701701 ZHGXBECWNFRKRZ-OAHLLOKOSA-N 345.851 4.672 0 40 EJAB COc1ccccc1NC(=O)Nc1ccccc1C(=O)c1ccccc1 225769930 STLUOHSZVQZSLN-UHFFFAOYSA-N 346.386 4.570 0 40 EJAB CCCCc1ccc(NC(=O)[C@@H](CC)Oc2ccccc2F)cc1 408680228 QBPGEUPXXRXWSA-GOSISDBHSA-N 329.415 4.964 0 40 EJAB Cc1ccc(/C=C2\N=C(c3ccc(Cl)cc3Cl)OC2=O)cc1 60417 VCDBBCSWFONGGK-NVNXTCNLSA-N 332.186 4.646 0 40 EJAB COc1ccc(C2=Nc3ccccc3N=C(C(F)(F)F)C2)c(O)c1 185465 RKNNOONLXFEVEB-UHFFFAOYSA-N 334.297 4.560 0 40 EJAB Cc1cc(/C=C2/C(=O)Nc3ccccc32)c(C)n1-c1ccc(F)cc1 575020 OBAMEXNTTFUHJD-XDHOZWIPSA-N 332.378 4.726 0 40 EJAB Cc1ccnc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1 2757174 AAWFHBBQGNHLPO-UHFFFAOYSA-N 339.398 4.858 0 40 EJAB C[C@H](NC(=O)COc1ccc(Oc2ccccc2)cc1)c1ccccc1 3165380 XXKNCSXHNRGEES-KRWDZBQOSA-N 347.414 4.735 0 40 EJAB CC(C)Sc1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1 4086628 WFXQYGVODLFGLM-UHFFFAOYSA-N 348.280 4.598 0 40 EJAB Cc1ccc(C)c(-c2csc(NC(=O)Cc3ccsc3)n2)c1 6237588 ZZKPPYMURKSCMW-UHFFFAOYSA-N 328.462 4.670 0 40 EJAB CCCNCc1cc(Cl)c(OCc2ccc(F)cc2)c(OC)c1 7262321 WMGJUTVBSGLGQT-UHFFFAOYSA-N 337.822 4.566 0 40 EJAB COc1ccc(C(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)cc1 7987921 YFMOHPKCMZEKOS-MRXNPFEDSA-N 331.415 4.853 0 40 EJAB CC[C@H](NC(=O)CCc1ccccc1)c1ccc(Br)cc1 8038765 BXBHFNMVWBPDOE-KRWDZBQOSA-N 346.268 4.649 0 40 EJAB CCCOc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1OCC 10040789 YRNHLTCWWJKAFG-UHFFFAOYSA-N 327.424 4.743 0 40 EJAB Cc1ccc([C@H](CCN[C@@H]2CCO[C@@H](C(C)C)C2)c2ccco2)cc1 13654346 BGTUPBQBRXSYOP-RZUBCFFCSA-N 341.495 4.903 0 40 EJAB O/N=c1/oc2cc3occ(-c4ccc(F)cc4)c3cc2c2c1CCC2 13690380 TXCVCBYAOAJNSZ-LSDHQDQOSA-N 335.334 4.764 0 40 EJAB Fc1cccc(NC(=S)Nc2ccc(OC(F)(F)F)cc2)c1 13937626 QFKIXJDDGTVXFW-UHFFFAOYSA-N 330.306 4.533 0 40 EJAB C[C@@H](CCc1ccccc1)NC(=O)Cc1ccc(Cl)cc1Cl 14137542 KVITUBIBKSQVEN-ZDUSSCGKSA-N 336.262 4.673 0 40 EJAB O=C(NCc1cccc(C(F)(F)F)c1)C12CC3CC(CC(C3)C1)C2 17064518 JOLGNTZNLJPFRL-UHFFFAOYSA-N 337.385 4.538 0 40 EJAB CCC[C@@H](C(=O)Nc1cnc2c(cnn2C(C)C)c1)c1ccccc1 17526252 XQGLNQJEOWQQLX-GOSISDBHSA-N 336.439 4.535 0 40 EJAB Cc1noc(-c2ccccc2NC(=O)c2ccc(Cl)cc2Cl)n1 22458808 FQXSULPBVHYGCM-UHFFFAOYSA-N 348.189 4.604 0 40 EJAB O=C(CSCCC12CC3CC(CC(C3)C1)C2)NCc1cccs1 24073082 OOUSRVQLHAEEHC-UHFFFAOYSA-N 349.565 4.704 0 40 EJAB CC(=O)Nc1cccc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)c1 24375691 WMXRFIISVQJNHA-JLHYYAGUSA-N 336.435 4.594 0 40 EJAB O=C(Nc1ccccc1Cc1ccccc1)c1ccn(C2CCCC2)n1 32611578 NGZMEIZBRDFWOQ-UHFFFAOYSA-N 345.446 4.841 0 40 EJAB O=C(CCCSc1ccccc1)N1CCC[C@@H]1c1ccsc1 46912733 WSMAEYGYGDZNCM-QGZVFWFLSA-N 331.506 4.984 0 40 EJAB CC(C)c1ccc(Cc2noc3nc(C4CC4)cc(C(=O)O)c23)cc1 62710683 VZYCTZLVPDXFJS-UHFFFAOYSA-N 336.391 4.513 0 40 EJAB Cc1ccccc1[C@@H]1CCCN1C(=O)Nc1cnc2ccccc2c1 70006366 MIIRRDDFGVXVMY-FQEVSTJZSA-N 331.419 4.912 0 40 EJAB COC(=O)c1ccc2nc(-c3ccccc3Br)sc2c1 73740376 HWNPTQSWGALURU-UHFFFAOYSA-N 348.221 4.512 0 40 EJAB Cc1nc(-c2cccs2)sc1CNC(=O)Nc1cccs1 85470975 HMFDAWDOVRPGGW-UHFFFAOYSA-N 335.479 4.563 0 40 EJAB O=C(Cc1c(F)cccc1Cl)Nc1ncccc1-c1ccccc1 95458289 ONMYRFZLPFIXKN-UHFFFAOYSA-N 340.785 4.722 0 40 EJAB CC(C)(C)[C@H](NCc1ccc(Br)s1)C(F)(F)F 95962969 NLVBDTPVWFPVGX-VIFPVBQESA-N 330.213 4.577 0 40 EJAB Cc1nc(CSCc2cccc(Br)c2)sc1C 97166053 FLXHOVPQMZMHIY-UHFFFAOYSA-N 328.300 4.956 0 40 EJAB COc1ccc2c(c1Oc1ccccc1)[C@]13CC=CC=C1[C@@H](C2)NCC3 100393745 YGXWFNJFMMVROW-XXBNENTESA-N 345.442 4.530 0 40 EJAB biogenic,in-vitro Cc1ccc(C2=C[C@@H](c3ccc(Cl)cc3)n3ncnc3N2)cc1C 101933765 HPLYYNLXUHTQDY-SFHVURJKSA-N 336.826 4.604 0 40 EJAB CCc1ccc(C2=C[C@H](c3ccc(SC)cc3)n3ncnc3N2)cc1 102047058 YVDTXIRMSULOAT-LJQANCHMSA-N 348.475 4.618 0 40 EJAB O=C(N1CCCCCC1)C12C[C@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 102851078 PZZMTVZQDXOCJS-NAMINWQUSA-N 337.507 4.927 0 40 EJAB Cc1cc(C)c([C@@H](C)NC(=O)CCCOc2ccccc2)cc1C 223442697 LYHAQIAPGVFDTA-GOSISDBHSA-N 325.452 4.648 0 40 EJAB O=C(Nc1ccccc1O)c1ccc(C23CC4CC(CC(C4)C2)C3)o1 226794759 SQXYXCGITZJBCT-UHFFFAOYSA-N 337.419 4.705 0 40 EJAB CCCC[C@H](C(=O)OC)N1c2cc(OC)ccc2[C@H](C)CC1(C)C 260612690 AIDBFBKFOLNUAO-RHSMWYFYSA-N 333.472 4.519 0 40 EJAB O=C(CSCc1ccccc1Cl)NC1CCCCCCC1 408562574 BUDBJSWZEZSYFT-UHFFFAOYSA-N 325.905 4.802 0 40 EJAB Cc1ccc2sc(C(=O)N(Cc3c(C)noc3C)C3CC3)cc2c1 585084947 LKRJESYBMPDUBF-UHFFFAOYSA-N 340.448 4.619 0 40 EJAB COc1ccc2c(Cl)c(C(=O)Nc3ccc(F)cc3)sc2c1 38561 ZLARYBPXHBCVJV-UHFFFAOYSA-N 335.787 4.955 0 40 EJAB CCOC(=O)N[C@@H]1Cc2ccccc2Sc2ccc(Cl)cc21 347594 HPDNNBBTSMILMR-CQSZACIVSA-N 333.840 4.835 0 40 EJAB CC(=O)c1ccc(NC(=O)c2ccc(Oc3ccccc3)cc2)cc1 362925 GNIKFXGBSCPODS-UHFFFAOYSA-N 331.371 4.934 0 40 EJAB CCCOc1ccc(C(=O)Nc2ccc3c4c(cccc24)CC3)cc1 2050764 OWRUBIPGFDACKK-UHFFFAOYSA-N 331.415 4.980 0 40 EJAB CCOC(=O)c1sc(NC(=O)/C=C/c2ccccc2Cl)cc1C 3286906 JHWITLNJEWWVHL-CMDGGOBGSA-N 349.839 4.539 0 40 EJAB Cc1nc2cc(NC(=O)CSc3ccc(Cl)cc3)ccc2s1 4496559 QNLDHGYCYAZYJZ-UHFFFAOYSA-N 348.880 4.989 0 40 EJAB CC[C@H](C)c1ccc(NC(=O)S(=O)(=O)c2ccc(C)cc2)cc1 4506984 RKDJDRWCAQZHQX-AWEZNQCLSA-N 331.437 4.514 0 40 EJAB Cc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccccc2)s1 5155741 AIWTXSJUWDAESG-BUHFOSPRSA-N 344.439 4.926 0 40 EJAB C[C@@H](Oc1cccc2ccccc12)C(=O)N[C@H](C)c1ccc(F)cc1 6010795 RSUVBBDCWSITOV-HUUCEWRRSA-N 337.394 4.624 0 40 EJAB O=C(c1ccc2c(c1)OCO2)N(C1CCCCC1)C1CCCCC1 6335168 LRBAVJOXCAJOLE-UHFFFAOYSA-N 329.440 4.523 0 40 EJAB Cc1ccc(C)c(Sc2ccc(NC(=S)NC3CC3)cc2)c1 6335501 YHJYKZQJZLLPJC-UHFFFAOYSA-N 328.506 4.903 0 40 EJAB O=C(c1ccc(F)cc1)N(Cc1ccc(Cl)cc1)Cc1ccco1 6810568 VWKZWVYXRLYPOE-UHFFFAOYSA-N 343.785 4.915 0 40 EJAB COc1cc(CNC(C)(C)C)cc(Cl)c1OCc1cccs1 6882517 TTZBAGRSOZCPRW-UHFFFAOYSA-N 339.888 4.877 0 40 EJAB CC[C@H](O)c1nc2ccccc2n1CCCOc1ccccc1Cl 12418934 QBHIXJHCBGTXCW-KRWDZBQOSA-N 344.842 4.602 0 40 EJAB Cc1cc(C(=O)Nc2sccc2-c2nc3ccccc3s2)on1 12422472 BYVUQYVKJKAXGB-UHFFFAOYSA-N 341.417 4.574 0 40 EJAB O=C1S/C(=C/c2ccco2)C(=O)N1Cc1cccc2ccccc12 14132008 UBSHMNPDAKNBMN-GZTJUZNOSA-N 335.384 4.669 0 40 EJAB Cc1nc2ccc(NC(=O)c3cccc4c(C)c(C)[nH]c34)cc2s1 24680681 MLHHOVNZEDGWDF-UHFFFAOYSA-N 335.432 4.955 0 40 EJAB Cc1ccc(CC(=O)Nc2ccc(-c3cnc(C4CC4)o3)cc2)cc1 25932782 GOIKTJOWGKRVGS-UHFFFAOYSA-N 332.403 4.709 0 40 EJAB O=C(c1cc2c(s1)-c1ccccc1CC2)N1CCOc2ccccc21 32809569 JUXSGHOTIHVGNX-UHFFFAOYSA-N 347.439 4.553 0 40 EJAB Cc1ccc(-c2ccc(CCC(=O)NC3CCCCC3)o2)cc1C 33027737 FEDPTPPRXOYEPK-UHFFFAOYSA-N 325.452 4.945 0 40 EJAB Cn1ccnc1[C@H](NCc1ccc(Cl)cc1)c1ccc(Cl)cc1 40012133 BYLUCZRIYXIITI-QGZVFWFLSA-N 346.261 4.606 0 40 EJAB O=C(Nc1ccccc1)c1[nH]c2ccc(Br)cc2c1Cl 40142949 OUSHZLXWCFZVER-UHFFFAOYSA-N 349.615 4.836 0 40 EJAB Cc1ccccc1NC(=O)N(C)[C@@H](c1ccc(F)cc1)c1cccnc1 69457282 XRELWSMNDREYPO-FQEVSTJZSA-N 349.409 4.782 0 40 EJAB COc1cccc(NC(=O)N(Cc2ccoc2)C2CCCCC2)c1 75489253 XVNSODWCHCPENC-UHFFFAOYSA-N 328.412 4.655 0 40 EJAB Cc1c(-c2nnc3sc(/C=C/c4ccco4)nn23)oc2ccccc12 96194393 HCGLITRCGRRSAT-CMDGGOBGSA-N 348.387 4.671 0 40 EJAB C[C@@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)[C@H]1C[C@@H]2CC[C@@H]1C2 100549381 QQKRIDPKLWUPHG-PRULPYPASA-N 327.255 4.940 0 40 EJAB CC[C@@H](NC(=O)[C@H](C)Oc1ccc(C)c(C)c1)c1ccc(C)c(C)c1 219519639 XNSOGNWLGFGLIR-GHTZIAJQSA-N 339.479 4.955 0 40 EJAB C[C@@H](NC(=O)Cc1ccccc1Cl)c1ccc2c(c1)CCCC2 223007461 UOYFDJCHCOJPPF-CQSZACIVSA-N 327.855 4.639 0 40 EJAB O=C(COc1ccc2c(c1)CCCC2)Nc1ccc(C(F)(F)F)cc1 225262356 LJLGLDZWBSWJJH-UHFFFAOYSA-N 349.352 4.602 0 40 EJAB CC(C)Oc1cccc(NC(=S)N[C@@H]2CCCc3ccccc32)c1 225461825 XQOYNNICJYJKHM-LJQANCHMSA-N 340.492 4.838 0 40 EJAB CCCOc1ccc(NC(=O)C2(OCCC)CCCCC2)cc1C 225657840 DJKPFVKWDBMKJM-UHFFFAOYSA-N 333.472 4.852 0 40 EJAB CC[C@H](C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)C(=O)c1ccccc1 245239009 DMADGBHCTZPDTK-XGXHKWSGSA-N 330.468 4.900 0 40 EJAB O=C(N[C@@H](c1ccsc1)c1cccs1)c1ccc(F)c(F)c1 390826403 KCOGRRUSALEPML-HNNXBMFYSA-N 335.400 4.607 0 40 EJAB CC(C)Oc1ccc(NC(=O)CSCc2ccccc2Cl)cc1 408568800 UQXBYMGDZNIJQT-UHFFFAOYSA-N 349.883 4.999 0 40 EJAB O=C(COC(=O)c1ccc(F)cc1)c1ccc(-c2ccccc2)cc1 236841 RRRYVTVLKWEQOM-UHFFFAOYSA-N 334.346 4.532 0 40 EJAB Brc1ccc(-c2csc(N3CCCCCC3)n2)cc1 365901 PDGLKTMXTPKGQM-UHFFFAOYSA-N 337.286 4.953 0 40 EJAB Cc1cccc(NC(=O)c2sc3nc4cc(C)ccc4cc3c2N)c1 412391 PADALBOLFIUOIO-UHFFFAOYSA-N 347.443 4.901 0 40 EJAB CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(C)cc2C)c1 557908 DNEYZTBCFIYUPU-UHFFFAOYSA-N 344.842 4.948 0 40 EJAB CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(C)c(C)c1 569712 NXPKKPJDGHXODD-ZDUSSCGKSA-N 340.492 4.944 0 40 EJAB CC(C)N1C(=O)S/C(=C\c2ccc(-c3ccc(F)cc3)o2)C1=O 1018439 YAFMRHGEFGVLPT-DHDCSXOGSA-N 331.368 4.530 0 40 EJAB COc1cc(NCCN(CC(C)C)CC(C)C)c2ncc(C)cc2c1 1656160 JEBKYMAMIUYOLC-UHFFFAOYSA-N 343.515 4.578 0 40 EJAB CCN(CC)CCC[C@H](C)Nc1cc(C)nc2ccc(N(C)C)cc12 1755460 UBFRBEMNLDGLCO-INIZCTEOSA-N 342.531 4.532 0 40 EJAB Cc1cc(C)c(CN2C(=O)S/C(=C/c3ccccc3)C2=O)c(C)c1 4567327 GLHZKSANCMWBRU-WOJGMQOQSA-N 337.444 4.848 0 40 EJAB COc1ccc2c(c1)CC[C@@H]1[C@@H]3CC[C@@](C)(N(C)C)[C@]3(C)CC[C@@H]21 4900234 IXZPZMBLHXZOLG-RTOMLYRKSA-N 327.512 4.872 0 40 EJAB O=C1c2ccc3c4c(ccc(c24)C(=O)N1c1cccc2ccccc12)CC3 5605002 HHVIZHBJHBJVQG-UHFFFAOYSA-N 349.389 4.892 0 40 EJAB O=C(Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1cccnc1 5842841 DBKLIGHGFZVBFK-UHFFFAOYSA-N 333.431 4.769 0 40 EJAB Cc1nnc(SCC(=O)c2ccc(-c3ccccc3)cc2)n1C1CC1 7617326 ZMKNQRBKQZHKDU-UHFFFAOYSA-N 349.459 4.563 0 40 EJAB CCc1cccc(CC)c1NC(=O)[C@@H](C)Oc1ccc(C)c(C)c1 8040881 GSRRYCOSTSEJGQ-MRXNPFEDSA-N 325.452 4.834 0 40 EJAB Cc1ccc(NC(=O)c2ccccc2OCc2cccc(C)c2)nc1 12766753 UBKIMWJWEHGYDS-UHFFFAOYSA-N 332.403 4.530 0 40 EJAB CN(Cc1nc2ccccc2s1)C(=O)/C=C/c1cc2ccccc2o1 12862634 LSRSFNIWGMJGTP-ZHACJKMWSA-N 348.427 4.714 0 40 EJAB CSc1ccccc1NC(=O)[C@@H](C)N(C)Cc1ccc(Cl)cc1 13095325 JLIBJAWSGDUEFV-CYBMUJFWSA-N 348.899 4.521 0 40 EJAB O=C(Nc1cccc2cccnc12)c1ccc(COc2ccccc2)o1 14517225 JDDMJSDXBFBRNK-UHFFFAOYSA-N 344.370 4.659 0 40 EJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](CC)c1ccccc1 19934684 ITAJZJNNRGPDRV-ROUUACIJSA-N 331.843 4.765 0 40 EJAB O=C(O)c1cc(NC(=O)c2ccccc2Cl)c(Cl)cc1Cl 20137757 MEYIKNCUTFGREI-UHFFFAOYSA-N 344.581 4.597 0 40 EJAB O=C(Nc1cccc(Cl)c1)Nc1ccc(F)cc1Br 20430671 HATZRFMAQGXNCY-UHFFFAOYSA-N 343.583 4.886 0 40 EJAB CCCCCn1cnc2scc(-c3ccc(Cl)cc3)c2c1=O 21790245 KBRWHPOLFDTASF-UHFFFAOYSA-N 332.856 4.969 0 40 EJAB Clc1ccccc1-c1nc(Cn2cnc3ccccc32)cs1 21997310 JOAVLHWDWZRDFY-UHFFFAOYSA-N 325.824 4.862 0 40 EJAB CC1(C)C[C@@H](NCCC2(Cc3ccc(F)cc3)CCCC2)CCO1 32102278 OXAAQUDKIGIBTQ-IBGZPJMESA-N 333.491 4.866 0 40 EJAB CC(C)Cc1ccc(C(=O)C(C)(Br)Br)cc1 34113278 VJJIRVKFCUIHNX-UHFFFAOYSA-N 348.078 4.574 0 40 EJAB in-vitro Cc1cc(N)c2nc(Nc3nc4cc(Cl)ccc4o3)sc2c1 57352565 OBKYGVGVGNBWIU-UHFFFAOYSA-N 330.800 4.725 0 40 EJAB Cc1cc(O[C@H](C)C(=O)Nc2ccc(OC(C)C)cc2)ccc1Cl 64982249 RMTMYCVSHWZXBA-CQSZACIVSA-N 347.842 4.842 0 40 EJAB COc1ccc(NC(=S)Nc2cc(Cl)ccc2F)cc1Cl 71761856 LPQXKMYCLLIQHA-UHFFFAOYSA-N 345.226 4.950 0 40 EJAB c1ccc(Cn2c(CCCN3CCCCC3)nc3ccccc32)cc1 76555479 UHTGKQZVECYUQD-UHFFFAOYSA-N 333.479 4.503 0 40 EJAB CCN(Cc1cccs1)C(=O)c1ccc(-c2cccs2)nc1C 84777587 LDYPUVZSNUHHBK-UHFFFAOYSA-N 342.489 4.842 0 40 EJAB O=C(/C=C/c1cccc(Cl)c1)N(Cc1ccco1)C1CCCC1 95349419 BXGMULMGKHYLFP-ZHACJKMWSA-N 329.827 4.918 0 40 EJAB CC1=CC(C)(C)NC(=S)N1c1ccc(OCc2ccccc2)cc1 103767970 QJVHIURFFLSPHD-UHFFFAOYSA-N 338.476 4.643 0 40 EJAB Cc1cc(O[C@H](C)C(=O)Nc2cccc(OC(C)C)c2)ccc1Cl 222846105 GXZFQDGLAFRPRA-CQSZACIVSA-N 347.842 4.842 0 40 EJAB CC(C)(C)c1ccccc1OCCNC(=O)c1cc2ccccc2o1 223720826 QKSINQQUPLDAEH-UHFFFAOYSA-N 337.419 4.539 0 40 EJAB C[C@@H](Oc1cccc2ccccc12)C(=O)NC[C@H](C)c1ccccc1 224287936 TZYSOFAHIGAPFU-DLBZAZTESA-N 333.431 4.527 0 40 EJAB Cc1ccccc1CSCCCNC(=S)Nc1ccc(F)cc1 225600457 KYHOQXSTVSMIKP-UHFFFAOYSA-N 348.512 4.744 0 40 EJAB CCOC(=O)c1ccc2[nH]c(-c3cccc(Cl)c3Cl)nc2c1 226236221 VOUWECWPXDKIHY-UHFFFAOYSA-N 335.190 4.713 0 40 EJAB Cc1oc(C2CCCCC2)cc1C(=O)Nc1ccc(CC(=O)O)cc1 409193837 FUBPUPVFLFHONY-UHFFFAOYSA-N 341.407 4.515 0 40 EJAB Cc1cccc(COc2ccc(C(=S)N3CCCCC3)cc2)c1 409206524 WQIICHURKANYLZ-UHFFFAOYSA-N 325.477 4.735 0 40 EJAB Cc1ccc(OCc2ccccc2)c(C(=O)[C@H]2O[C@@H]2c2ccccc2)c1 162487 QYQBUZZABOEKLY-DHIUTWEWSA-N 344.410 4.897 0 40 EJAB CC(C)Sc1nnc2c3c4c(sc3nc(C3CC3)n12)CCCC4 413650 QRKKWBCPEXAXOL-UHFFFAOYSA-N 344.509 4.596 0 40 EJAB Cc1cc2cc3c(cc2nc1SCc1ccccc1F)OCO3 415401 WTUMZSRDDJWTDG-UHFFFAOYSA-N 327.380 4.703 0 40 EJAB Cc1cc(OC(=O)c2ccccc2)cc(C)c1OC(=O)c1ccccc1 1702332 PWEDRMDCDISIQK-UHFFFAOYSA-N 346.382 4.742 0 40 EJAB C[C@@H]1CC(C)(C)N(C(=O)CNCCC2=CCCCC2)c2ccccc21 4894669 AMFNNUAJNVOMEE-QGZVFWFLSA-N 340.511 4.786 0 40 EJAB COc1ccc(C)cc1NC(=O)c1sc(-c2ccsc2)nc1C 7404400 ODDKCNBYWJBCRP-UHFFFAOYSA-N 344.461 4.749 0 40 EJAB C[C@@H](N[C@H](C)c1nnc(-c2cccs2)o1)c1ccc(Cl)cc1 7919228 ZLESPCJLMTWWOW-GHMZBOCLSA-N 333.844 4.863 0 40 EJAB Cc1ccc(C)c(NC(=O)CCc2ncc(-c3ccc(F)cc3)o2)c1 8747680 VSNJBVXIEKWGPV-UHFFFAOYSA-N 338.382 4.669 0 40 EJAB CC1(C)CC(=O)c2sc3nc(-c4ccc(Cl)cc4)cn3c2C1 12437761 WPKQXKSCMIXAEN-UHFFFAOYSA-N 330.840 4.871 0 40 EJAB Cc1sc2nc([C@@H](C)Nc3ccc(C(C)C)cc3)[nH]c(=O)c2c1C 12517206 QWFABHIVKVXKOA-GFCCVEGCSA-N 341.480 4.898 0 40 EJAB Cc1cccnc1NC(=O)c1sc(-c2cccc(Cl)c2)nc1C 12549662 CRHQAMNHWFCYJF-UHFFFAOYSA-N 343.839 4.728 0 40 EJAB O=C(Nc1ccc(F)cc1)c1cc(-c2ccccn2)nc2ccccc12 15439608 VNJXCDBVOHTOQQ-UHFFFAOYSA-N 343.361 4.688 0 40 EJAB C[C@@H](SC/C=C/c1ccccc1)C(=O)Nc1cc(F)ccc1F 15493866 YOOUXYKOEUIYNV-OQHXTRMZSA-N 333.403 4.738 0 40 EJAB CCCCC(=O)Nc1nn(CCCC)c2nc3cc(C)ccc3cc12 17247616 WMAKRMVNSPAJBM-UHFFFAOYSA-N 338.455 4.822 0 40 EJAB COc1ccc(S[C@@H](C)C(=O)N[C@H](C)c2cc(C)ccc2C)cc1 20046140 VAPAPJBGLYLJSW-CVEARBPZSA-N 343.492 4.670 0 40 EJAB O=C(NCCC1(Cc2ccc(F)cc2)CCCC1)c1cccs1 32103002 WZWGLOMGTKPUSK-UHFFFAOYSA-N 331.456 4.810 0 40 EJAB COc1ccccc1Nc1c(-c2cccc(O)c2)nc2cc(C)ccn12 35616018 ABSODRYQMMBXOU-UHFFFAOYSA-N 345.402 4.768 0 40 EJAB CCC(=O)Nc1cccc(NC(=O)Nc2cccc(Cl)c2)c1C 36566184 MRMFHYFIKIINNP-UHFFFAOYSA-N 331.803 4.641 0 40 EJAB Cc1ccc([C@H](NC(=O)Nc2ccccc2F)C(F)(F)F)cc1 40153417 XKHBJDUXMLPMOG-AWEZNQCLSA-N 326.293 4.559 0 40 EJAB Cc1ccc(-c2cc(C(=O)Nc3cc(Cl)ccc3C)n[nH]2)cc1 44837792 XBKKVXOCEUGGDV-UHFFFAOYSA-N 325.799 4.599 0 40 EJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(OC)c(Cl)c1 44884515 YMSNOMLPPWPIDV-INIZCTEOSA-N 347.842 4.762 0 40 EJAB O=C(CCCC1CCCCC1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 53356907 KSWKLHXNPSLSMZ-LJQANCHMSA-N 339.483 4.977 0 40 EJAB COc1ccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)c(OC)c1 57315641 JEXOEJHGDCCYFO-UHFFFAOYSA-N 347.370 4.856 0 40 EJAB COc1cc(Cl)c(C)cc1NCc1nc(-c2ccccc2C)no1 58402628 XZGWQTLPSDJOGQ-UHFFFAOYSA-N 343.814 4.628 0 40 EJAB Cc1cc(NC(=S)Nc2ccccc2Br)ccc1F 71326142 UGSNFJDMZASMNS-UHFFFAOYSA-N 339.233 4.706 0 40 EJAB COc1cc(-c2ccccc2)c2cc(-c3ccc(O)cc3)c(=O)oc2c1 71404998 SODGEKHRSWJENL-UHFFFAOYSA-N 344.366 4.841 0 40 EJAB Cc1nn(-c2ccccc2)c(C)c1-c1nc(-c2ccccc2)c(C)[nH]1 95468276 OQAYOQZMYNLHFE-UHFFFAOYSA-N 328.419 4.855 0 40 EJAB COc1ccc(N/C=C/c2ncc(C(F)(F)F)cc2Cl)cc1 100324252 PPVRBMXVEITFNV-VOTSOKGWSA-N 328.721 4.845 0 40 EJAB CC(C)Oc1ccccc1C(=O)NCCCc1ccc(C(C)C)cc1 219747438 QCYWQFAYCMUIOP-UHFFFAOYSA-N 339.479 4.960 0 40 EJAB CCCOCc1cc(C(=O)Nc2cc(C)ccc2C)ccc1OCC 224704375 PLZPDEWGSJCYON-UHFFFAOYSA-N 341.451 4.881 0 40 EJAB CCOc1ccc(C(=O)Nc2c(F)cccc2F)cc1COC(C)C 224716778 MKGDMOXHIWHXNL-UHFFFAOYSA-N 349.377 4.541 0 40 EJAB Cc1cc(NC(=S)NC2CCCCCC2)ccc1Br 225353173 SBPMFOSEDWIYKU-UHFFFAOYSA-N 341.318 4.767 0 40 EJAB CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1nc2ccccc2s1 32802 ZJLUSUJYHCDTON-UFBFGSQYSA-N 341.263 4.826 0 40 EJAB Cc1ccc2nc(-c3ccc(Cl)cc3)c(NC[C@H]3CCCO3)n2c1 417511 NKRCJDJUXGKBHC-MRXNPFEDSA-N 341.842 4.554 0 40 EJAB O=C1CS[C@H](c2ccc(Cl)cc2Cl)N1c1ccc(F)cc1 423862 BPHUCTYBRVDPGG-OAHLLOKOSA-N 342.222 4.911 0 40 EJAB CCCC(=O)N1N=C(c2ccccc2)C[C@H]1c1cn(C)c2ccccc12 535392 SOZGSYWOHLEBIU-NRFANRHFSA-N 345.446 4.656 0 40 EJAB COc1ccc(-c2cc3ccc(OCC=C(C)C)cc3oc2=O)cc1 1317614 UYKBASUQNOPBAP-UHFFFAOYSA-N 336.387 4.814 0 40 EJAB biogenic FC(F)(F)c1nc2ccccc2c2nnc(-c3ccc(Cl)cc3)n12 1383136 HFCLVRUIEMYMSM-UHFFFAOYSA-N 348.715 4.617 0 40 EJAB O=c1oc2ccccc2c(-c2cc(O)cc(O)c2)c1-c1ccccc1 2573909 HPOOJEARGJTLIN-UHFFFAOYSA-N 330.339 4.538 0 40 EJAB Cc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)c(C)c1 6281755 DXLDPWKBKVHQKY-UHFFFAOYSA-N 326.396 4.818 0 40 EJAB COc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(OC)c1 6425842 BTYIRHYGVQFXLW-UHFFFAOYSA-N 333.387 4.623 0 40 EJAB O=C(Nc1ncc(Cc2c(Cl)cccc2Cl)s1)C1CCC1 6995286 MEIBRJLXUYZUDN-UHFFFAOYSA-N 341.263 4.779 0 40 EJAB Cc1csc(NC(=O)c2sc(-c3ccc(Cl)cc3)nc2C)n1 10555382 NPQQUXJZTFKMSJ-UHFFFAOYSA-N 349.868 4.789 0 40 EJAB O=C(Nc1ccc(Cc2nc3ccccc3s2)cc1)c1cccnc1 11707244 DLNCNWFYHVZWQD-UHFFFAOYSA-N 345.427 4.534 0 40 EJAB CC[C@H]1c2ccsc2CCN1C(=O)/C=C/c1cc(C)ccc1OC 12988066 VUFAODVXAHLLHA-JKNJVXJCSA-N 341.476 4.614 0 40 EJAB Cc1cc(C)cc(-n2nc(C)c3c2N=C(O)C[C@@H]3c2cccs2)c1 13552846 DFRSJUPSHGBAEK-OAHLLOKOSA-N 337.448 4.983 0 40 EJAB O=C(Nc1ccccc1SCC(F)(F)F)c1ccc(F)cc1 14196976 IFCBPVXXSUWWIE-UHFFFAOYSA-N 329.318 4.732 0 40 EJAB CC(C)Oc1cccc(NC(=O)CCCOc2ccc(Cl)cc2)c1 14397304 VDLARSKLBIUELK-UHFFFAOYSA-N 347.842 4.925 0 40 EJAB CCCCc1ccc(N2C(=O)CS[C@H]2c2ccc(F)cc2)cc1 17198473 XAXLNZQZFACRHH-IBGZPJMESA-N 329.440 4.947 0 40 EJAB CC(=O)Nc1ccc(CNC(c2ccccc2)c2ccccc2)cc1 17310811 RYTMXGSGEQVKCM-UHFFFAOYSA-N 330.431 4.524 0 40 EJAB CCc1ccccc1NC(=O)CSc1ccc(-c2cccnc2)o1 27753684 MYHHVDAGUZZFEX-UHFFFAOYSA-N 338.432 4.635 0 40 EJAB O[C@@H](c1ccccc1)[C@H](c1ccccc1)N1CCc2ccccc2C1 31923893 ZRLBPOAWKPNOPZ-GOTSBHOMSA-N 329.443 4.520 0 40 EJAB CC(=O)c1ccc(NC(=O)c2cc(-n3cccc3)ccc2Cl)cc1 32094696 NPEQKFRBMHDERC-UHFFFAOYSA-N 338.794 4.586 0 40 EJAB COc1ccc2nc(SCc3coc(-c4ccccc4)n3)[nH]c2c1 32911001 HXRGQTANPDPTPS-UHFFFAOYSA-N 337.404 4.519 0 40 EJAB Cc1cccc(OCC(=O)Nc2ccc3[nH]c4ccccc4c3c2)c1C 44781789 XKJVGCNMBFBAOY-UHFFFAOYSA-N 344.414 4.955 0 40 EJAB O=C(Nc1cccc2c1CCCC2)N1CCC[C@@H]1c1ccsc1 45959437 OBPYQMWFROJCIG-GOSISDBHSA-N 326.465 4.996 0 40 EJAB Cc1sc(-c2cccc(C(N)=O)c2)nc1-c1ccc(Cl)cc1 58158100 ZMCYBEFRPZRHGY-UHFFFAOYSA-N 328.824 4.538 0 40 EJAB C[C@@H]1c2[nH]c3ccccc3c2CCN1Cc1ncc(-c2ccccc2)o1 71812731 ZDTVFUUYPRCAHG-OAHLLOKOSA-N 343.430 4.942 0 40 EJAB Cc1cc(=O)oc2c(C)c3occ(-c4ccc5c(c4)OCCO5)c3cc12 72324593 YYWQZWZOSGWZLX-UHFFFAOYSA-N 348.354 4.594 0 40 EJAB biogenic O=C(c1cc2c(s1)CCCCCC2)N1CCC(n2cccc2)CC1 78716861 QEJXGMUXQQIPCF-UHFFFAOYSA-N 342.508 4.686 0 40 EJAB COc1c(F)cc(NC(=O)c2c(Cl)cccc2Cl)cc1F 81564676 VOCVVZQDCBCYPI-UHFFFAOYSA-N 332.133 4.533 0 40 EJAB CCOc1ccc(-c2nc(-c3cccc(Cl)c3)n[nH]2)cc1OCC 85385089 PYKJAEKYWASUJI-UHFFFAOYSA-N 343.814 4.590 0 40 EJAB CCN(C(=O)Nc1cccc(COC(C)C)c1)[C@H](C)c1cccnc1 96406976 SNWLCFSWAOSIOB-MRXNPFEDSA-N 341.455 4.622 0 40 EJAB CCc1ccc(C2=C[C@@H](c3ccc(SC)cc3)n3ncnc3N2)cc1 102047062 YVDTXIRMSULOAT-IBGZPJMESA-N 348.475 4.618 0 40 EJAB Cc1cc(Cl)ccc1OCCCC(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 102607667 IZTFTQNBTGOQST-OVWQWFNUSA-N 349.902 4.748 0 40 EJAB Cc1cc(Cl)ccc1OCC(=O)OCCC1=CC[C@H]2C[C@H]1C2(C)C 104176790 DUFSSFCFZDQJII-DOTOQJQBSA-N 348.870 4.953 0 40 EJAB O=C(c1ccc(OC(F)(F)F)cc1)c1c[nH]c2cc(Cl)ccc12 199721522 KTEZUIMESIKNLS-UHFFFAOYSA-N 339.700 4.951 0 40 EJAB COc1ccccc1CN(C)C(=O)c1cc2c(ccc3ccccc32)o1 216259686 OHODBMOUEUIDRR-UHFFFAOYSA-N 345.398 4.867 0 40 EJAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(OC3CCCC3)cc2)cc1 218972275 XTVABACXKSRZKE-MRXNPFEDSA-N 339.435 4.722 0 40 EJAB CCc1ccccc1O[C@@H](C)C(=O)N[C@H](CC)c1ccc(C)cc1C 219295911 KDHWAMPUQSTENV-FXAWDEMLSA-N 339.479 4.901 0 40 EJAB COc1cccc2cc(C(=O)NCc3ccc4ccccc4c3)oc12 222778263 KPNRMWXAMBQBSL-UHFFFAOYSA-N 331.371 4.525 0 40 EJAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCCCc2ccccc2)c1 224848064 SVAOFSGXDZMEPK-GOSISDBHSA-N 339.479 4.635 0 40 EJAB Cc1cc(C)c(C)c(O[C@H](Cc2ccc(Cl)cc2C)C(=O)O)c1 225075063 WIIXLUXPPSKABG-GOSISDBHSA-N 332.827 4.648 0 40 EJAB O=C(O)[C@H](Cc1cccc(Cl)c1Cl)Oc1cccc(Cl)c1 225082340 MKKGHTORWIFKSP-ZDUSSCGKSA-N 345.609 4.722 0 40 EJAB CC[C@@H](NC(=O)c1cc(C)c(C)cc1C)c1ccc(OC)c(C)c1 225653679 VRVAGOWDHDPSIL-LJQANCHMSA-N 325.452 4.810 0 40 EJAB COc1cccc(NC(=S)N[C@H](c2ccccc2C)C(C)C)c1 225760094 NSGRTZNQLAYTOB-SFHVURJKSA-N 328.481 4.687 0 40 EJAB COC(=O)c1ccccc1NC(=O)c1sc2ccccc2c1Cl 42981 FLLURPCNOVCBMK-UHFFFAOYSA-N 345.807 4.594 0 40 EJAB Cc1ccn2c(NC(=O)c3ccc(F)cc3)c(-c3ccccc3)nc2c1 64522 PXYTYVILCQWHKX-UHFFFAOYSA-N 345.377 4.701 0 40 EJAB CC(=O)Nc1c(Cl)cc2c(c1Cl)Cc1cc(N(C)C)ccc1-2 1609830 CKRYTIJPXBJZQX-UHFFFAOYSA-N 335.234 4.589 0 40 EJAB CCC(=O)N(CC[C@H](C(C)C)[C@@H]1CCOC(C)(C)C1)Cc1ccco1 2106207 LSPWQLQHZZKYDW-IEBWSBKVSA-N 349.515 4.886 0 40 EJAB biogenic COc1ccccc1C(=O)Nc1nc2c(C)ccc(Cl)c2s1 2713958 ONJLFZQILLNDAZ-UHFFFAOYSA-N 332.812 4.519 0 40 EJAB COc1cccc(-c2cc(C(F)(F)F)c3c(C4CC4)nn(C)c3n2)c1 2741117 SYRIIHFPPBLBQW-UHFFFAOYSA-N 347.340 4.540 0 40 EJAB C[C@@H]1CCc2nc(NC(=S)Nc3ccc(Cl)cc3)sc2C1 3304947 WDKRFVJAYVIHEI-SECBINFHSA-N 337.901 4.730 0 40 EJAB COc1cc2c(-c3cc4cccc(OC)c4o3)cc(=O)oc2cc1C 4586217 VRGGWPBRGOMMMK-UHFFFAOYSA-N 336.343 4.532 0 40 EJAB biogenic Cc1ccc(NCc2cccc(OCC(=O)Nc3ccccc3)c2)cc1 4741059 YVRUEXVJNCYACG-UHFFFAOYSA-N 346.430 4.625 0 40 EJAB CCc1ccc(/C=C2\CCn3c2nc2sc(C)c(C)c2c3=O)cc1 5127573 UPSFDVRXUVJCIJ-LFIBNONCSA-N 336.460 4.582 0 40 EJAB Cc1ccc2oc(=O)n(Cc3ccc(OCc4ccccc4)cc3)c2c1 5234812 VCTVUYOHXWBWPE-UHFFFAOYSA-N 345.398 4.530 0 40 EJAB C[C@@H](NC(=O)CSCc1ccccc1)C12CC3CC(CC(C3)C1)C2 5788807 QPEGPKPZGBBNGE-OQNUJHGRSA-N 343.536 4.641 0 40 EJAB COc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)c(OC)c1 6127330 YUVBZFGHLQNCQC-UHFFFAOYSA-N 349.386 4.748 0 40 EJAB CN(C(=O)c1ccc(Cl)cc1Cl)c1ccc(N2CCCC2)cc1 10113708 XIMAMLVASXQQJI-UHFFFAOYSA-N 349.261 4.870 0 40 EJAB COc1ccc(N(Cc2cccs2)C(=O)c2ccc(F)cc2)cc1 11917370 YQSQDIOLUUNRHO-UHFFFAOYSA-N 341.407 4.743 0 40 EJAB CC(C)(C)OC(=O)Nc1ccc(C(=O)NCCC2=CCCCC2)cc1 14941565 MHVKAMIJNOIUFD-UHFFFAOYSA-N 344.455 4.654 0 40 EJAB O=C(/N=c1/[nH]c2ccc3ccccc3c2s1)c1ccccc1Cl 17201143 LEEGGQBWJCSJNE-UHFFFAOYSA-N 338.819 4.777 0 40 EJAB CCc1ccccc1Nc1ncnc2c1cnn2-c1cccc(Cl)c1 22628117 KSUZVZCWDKCMAY-UHFFFAOYSA-N 349.825 4.775 0 40 EJAB C[C@@H]1CCC[C@H](NC(=O)CCCc2ncc(-c3ccccc3)o2)[C@@H]1C 31727640 LTWZWGOPYMTSPH-NUJGCVRESA-N 340.467 4.605 0 40 EJAB CCc1ccccc1O[C@@H](C)C(=O)Nc1cccc(C(F)(F)F)c1 38753778 JKSXZTXSFPTQCQ-LBPRGKRZSA-N 337.341 4.674 0 40 EJAB COc1ccc(NC(=O)c2cnn(-c3ccc(C)cc3)c2C(C)C)cc1 40073356 BMEZKHHBIARVPS-UHFFFAOYSA-N 349.434 4.565 0 40 EJAB CC(C)[C@H](NCc1nnc(-c2ccccc2Cl)o1)c1ccccc1 40466363 SHWWQBLVGRQFTH-SFHVURJKSA-N 341.842 4.877 0 40 EJAB Cc1noc(-c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)n1 49027110 XHONFUBVTXWXKU-UHFFFAOYSA-N 348.189 4.604 0 40 EJAB Nc1nc(SCc2ccccc2C(F)(F)F)nc2sccc12 58357835 WNCSFPWGNZBTFP-UHFFFAOYSA-N 341.383 4.585 0 40 EJAB CC[C@H]1CCCN(C(=O)Nc2ccc3nc(C4CC4)sc3c2)C1 89948293 OGPYGSSHWKQVQG-LBPRGKRZSA-N 329.469 4.828 0 40 EJAB Clc1ccc([C@@H]2C=C(c3cccs3)Nc3ncnn32)c(Cl)c1 100869404 JHESJJFLYSTSQW-ZDUSSCGKSA-N 349.246 4.702 0 40 EJAB CCC[C@H](C)NC(=O)c1ccc(OC)c(COc2ccc(C)cc2)c1 224128339 GXSHDMQUIRUICL-INIZCTEOSA-N 341.451 4.501 0 40 EJAB CCOc1ccc(C(=O)Nc2cccc(C)c2)cc1COC(C)C 224714472 HKBBUUHUDPROTA-UHFFFAOYSA-N 327.424 4.571 0 40 EJAB Cc1ccc(C(=O)N(C)c2ccc(N3CCCC3)cc2)c(Cl)c1 225003400 FMTVEMVFCHUKOO-UHFFFAOYSA-N 328.843 4.525 0 40 EJAB O=C(CCSc1ccccc1)NCc1cccc(C(F)(F)F)c1 225396246 YADFZOAGJUOVQG-UHFFFAOYSA-N 339.382 4.504 0 40 EJAB CCc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)cc1 225768652 RIRHBWQJXYFSLJ-MSOLQXFVSA-N 339.479 4.819 0 40 EJAB CC1(C)CCCC[C@H]1NCc1csc(-c2cccc(C(=O)O)c2)n1 583636007 DOWBDXVNMXIRGR-MRXNPFEDSA-N 344.480 4.567 0 40 EJAB c1ccc(CSc2nnc(-c3cccnc3)n2-c2ccccc2)cc1 351371 BOZJEWJQHLEDTM-UHFFFAOYSA-N 344.443 4.622 0 40 EJAB Cc1ccc(OC(=O)COc2cc(Cl)c(Cl)cc2Cl)cc1 383558 KVHVCFPZUQLXQX-UHFFFAOYSA-N 345.609 4.940 0 40 EJAB Cc1cc(-c2ccccc2)nc2oc3c(N4CCCCC4)ncnc3c12 2585229 JOKTYLMRMFDQEV-UHFFFAOYSA-N 344.418 4.737 0 40 EJAB COc1c(CC=C(C)C)c(O)cc2oc(-c3ccc(O)cc3O)cc12 3648307 CNPMAFLUEHEXRE-UHFFFAOYSA-N 340.375 4.734 0 40 EJAB endogenous,in-man Cc1sc(NC(=O)Cn2ccc3ccccc32)nc1-c1ccccc1 6266014 HGCALSXCNPPEAQ-UHFFFAOYSA-N 347.443 4.712 0 40 EJAB COc1ccc(Cl)cc1NC(=O)c1cc2c(s1)CC[C@@H](C)C2 6784489 CTZRMHXMWJHZQW-SNVBAGLBSA-N 335.856 4.787 0 40 EJAB O=C(OCC(=O)c1c[nH]c2ccccc12)c1cc(Cl)cc(Cl)c1 7698905 GPRQKWKTEOKGOO-UHFFFAOYSA-N 348.185 4.514 0 40 EJAB CCOc1cc(CNC)cc(Cl)c1OCc1ccccc1Cl 8254100 SRSMQVJLQOWWGQ-UHFFFAOYSA-N 340.250 4.691 0 40 EJAB Cc1nc2c(C)cccc2c(O)c1CN1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 8691845 KLCRMNQOYHEXNH-AOMKIAJQSA-N 338.495 4.958 0 40 EJAB Cc1ccc(C(=O)Nc2ccc3oc(Cc4ccccc4)nc3c2)cc1 10119990 ZYUYYNRHNSFPKQ-UHFFFAOYSA-N 342.398 4.979 0 40 EJAB C[C@H]1CC(=O)c2cnc(Nc3ccc(Oc4ccccc4)cc3)nc2C1 10156840 CUFHWQVDBWBXRN-CQSZACIVSA-N 345.402 4.778 0 40 EJAB C[C@@H](NC(=O)CCc1c[nH]c2ccccc12)c1cccc(Cl)c1 15562056 PROWQOLDGBZTMZ-CYBMUJFWSA-N 326.827 4.631 0 40 EJAB C[C@H](NC(=O)c1ncc(Cl)c(Cl)c1Cl)c1ccccc1 16024217 DAJZKWXQAAJDIN-QMMMGPOBSA-N 329.614 4.533 0 40 EJAB CCOC(=O)c1sc2ncnc(Nc3ccccc3Cl)c2c1C 19926683 PGOZBVYRKLUZNE-UHFFFAOYSA-N 347.827 4.573 0 40 EJAB Cc1ccc(/C=C2\N=C(S)N(c3ccc(Cl)cc3C)C2=O)s1 20670628 JHUXZCJWRRKSSZ-JYRVWZFOSA-N 348.880 4.692 0 40 EJAB CCCCC1CCC(C(=O)NCc2cc(-c3ccco3)on2)CC1 22768462 NVWBTPMXARIUSX-UHFFFAOYSA-N 330.428 4.547 0 40 EJAB COc1cccc(C(=O)N(Cc2cccs2)c2ccc(C)cc2)c1 27584657 LUMOIARGDVWZJV-UHFFFAOYSA-N 337.444 4.912 0 40 EJAB N#C/C(NC(=O)c1ccccc1)=C(/Cl)Sc1ccc(Cl)cc1 32620119 UWQFMRCPPDMNPF-CCEZHUSRSA-N 349.242 4.794 0 40 EJAB C[C@H](NC(=O)c1ccc(F)cc1Cl)c1cccc(OC(F)F)c1 32931088 XZXKVRUQZQKYAI-VIFPVBQESA-N 343.732 4.572 0 40 EJAB C[C@H](CCc1ccccc1)NC(=O)CCSc1ccc(Cl)cc1 33649762 RVQRIGRZIGEHGE-OAHLLOKOSA-N 347.911 4.960 0 40 EJAB O=C(c1cccc(-c2nc3cc(Cl)ccc3o2)c1)N1CCCCC1 41127539 GPVNZUFOHNQOAU-UHFFFAOYSA-N 340.810 4.774 0 40 EJAB CC(C)COc1c(Cl)cc(Br)cc1Br 90413651 MJSOZFSUTZAJMB-UHFFFAOYSA-N 342.458 4.900 0 40 EJAB CC[C@@H](NC(=O)[C@H](C)Oc1ccccc1C)c1ccc(C)c(C)c1 219289862 KQJCSMVEPIZWQI-PKOBYXMFSA-N 325.452 4.647 0 40 EJAB O=C(Nc1ccccc1)N1CCS[C@H](c2cc(F)ccc2F)CC1 219334643 NQOGIPXGHVCRMC-KRWDZBQOSA-N 348.418 4.677 0 40 EJAB Cc1ccc(OCC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)c(C)c1 222825890 AEMSEXQFMPSQJM-QGZVFWFLSA-N 339.479 4.857 0 40 EJAB C[C@H](NC(=O)CCSc1ccccc1)c1ccc2c(c1)CCC2 223154266 SWKMDAXEBGPQTL-HNNXBMFYSA-N 325.477 4.535 0 40 EJAB CCCOCc1cc(C(=O)Nc2cccc(SC)c2)ccc1OC 224415976 RLPDNQDLHLGRLZ-UHFFFAOYSA-N 345.464 4.596 0 40 EJAB CCCCCNC(=S)Nc1c(C)cc(Br)cc1C 225193389 SQEMZXMMIMHXGB-UHFFFAOYSA-N 329.307 4.543 0 40 EJAB CC(=O)c1cccc(NC(=O)CCc2ccc(Cl)cc2Cl)c1 225371368 HTPXLZJKOPKKFA-UHFFFAOYSA-N 336.218 4.767 0 40 EJAB CC[C@H](NC(=O)c1cc(C)c(C)cc1C)c1ccc(OC)c(C)c1 225653705 VRVAGOWDHDPSIL-IBGZPJMESA-N 325.452 4.810 0 40 EJAB CCCOc1ccc(NC(=O)[C@@](C)(CCC)OCC)c2cccnc12 225895572 YUIQPVLIMCYMPK-HXUWFJFHSA-N 344.455 4.557 0 40 EJAB Cc1cccc(C(=O)Nc2cc(C)ccc2-c2ccc(C(=O)O)o2)c1 226356580 YSNUQBXZUUJGAT-UHFFFAOYSA-N 335.359 4.514 0 40 EJAB O=C(Nc1cc(Cl)ccc1-c1ccc(C(=O)O)o1)c1ccccc1 226356598 WYSVAUHZTBOUNT-UHFFFAOYSA-N 341.750 4.551 0 40 EJAB CCOc1ccccc1N(C(=O)OC(C)(C)C)c1cc(C)ccn1 228967448 DHXKAXORNCQEED-UHFFFAOYSA-N 328.412 4.862 0 40 EJAB c1ccc([C@H]2C[C@@]34OCCN3[C@@]3(CCCC[C@@H]23)Oc2ccccc24)cc1 229988817 KMZWVRIIHGSMOD-FUKQBSRTSA-N 347.458 4.638 0 40 EJAB biogenic COc1ccccc1CN1CCC[C@@H](c2nc(C(C)C)cs2)C1 539818841 BKAZWKKKKCYERE-MRXNPFEDSA-N 330.497 4.655 0 40 EJAB O=C(Nc1ccc(Cl)cc1)C(F)(F)Oc1ccc(Cl)cc1 1393140 QULFXNFPOMHERA-UHFFFAOYSA-N 332.133 4.604 0 40 EJAB COc1ccc(C(=O)Nc2ccccc2[C@@H]2CC2(Cl)Cl)cc1 1424766 YNHIDRXDQADZHF-AWEZNQCLSA-N 336.218 4.609 0 40 EJAB CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C(=O)O)C[C@@H]21 2508241 OGXXAQFMAFTSRU-HZPDHXFCSA-N 344.451 4.801 0 40 EJAB in-vitro O=C(CCC(=O)c1cccs1)Nc1ccc(Cl)cc1Cl 6226231 FLJUJMIMKXDYIZ-UHFFFAOYSA-N 328.220 4.657 0 40 EJAB Cc1ccc(CCC(=O)NC(c2ccccc2)c2ccccc2)cc1 10330867 YZTUJVYMTSAPMJ-UHFFFAOYSA-N 329.443 4.833 0 40 EJAB CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(C(C)(C)C)cc2)c1 10443994 UEPWXZVSSDFGIX-UHFFFAOYSA-N 339.435 4.722 0 40 EJAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(C(C)C)cc1 11058791 ONLJHOJJVDNNDK-UHFFFAOYSA-N 333.435 4.865 0 40 EJAB Cc1ccc(-c2nc(CC(=O)NCCC3=CCCCC3)cs2)cc1 13625250 MNYAAPUMHDDQIW-UHFFFAOYSA-N 340.492 4.668 0 40 EJAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccccc1Cl 14258221 REIPVGNMXMEUTJ-UHFFFAOYSA-N 330.598 4.908 0 40 EJAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 14400611 NIIRBJYUXMFRCT-SNVBAGLBSA-N 343.732 4.765 0 40 EJAB COc1ccc(Nc2ncnc3c2oc2ccccc23)cc1Cl 17249798 VQUADTIYZFZJIX-UHFFFAOYSA-N 325.755 4.782 0 40 EJAB c1csc(CN2CCCC[C@@H]2c2nnc(-c3ccsc3)o2)c1 19343496 WJEYTKMKEKGPJL-CQSZACIVSA-N 331.466 4.587 0 40 EJAB Cc1ccc(C2(C(=O)Nc3ccc4oc(=O)ccc4c3)CCCC2)cc1 20096594 WGNDXWIXBUOLCU-UHFFFAOYSA-N 347.414 4.552 0 40 EJAB Cc1ccc([C@@H](NC(=O)[C@@]2(C)CC2(Cl)Cl)c2ccccc2)cc1 21583938 XJYUHWZCXDBSSQ-FUHWJXTLSA-N 348.273 4.785 0 40 EJAB COc1cc2ccccc2cc1C(=O)N[C@@H]1CCSc2ccccc21 21898754 LLDZYQBCVOVWJL-GOSISDBHSA-N 349.455 4.815 0 40 EJAB C[C@H](NCc1ccc(-n2ccnc2)cc1)c1cccc2ccccc12 22788089 PIQJOOOTACAFAE-KRWDZBQOSA-N 327.431 4.876 0 40 EJAB CC(C)(C)CC(=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1 23012213 BHWDNSPMMXERNO-UHFFFAOYSA-N 325.412 4.705 0 40 EJAB CCCCNc1cc(C)nc2c(-c3ccccc3)c(C(F)(F)F)nn12 23114964 UUUOKYBAYJYJHH-UHFFFAOYSA-N 348.372 4.936 0 40 EJAB Cc1cccc(/C=C(/C(=O)N2CCC[C@@H](C)C2)c2cccs2)c1 29510805 DMWBNIKJSBSASB-APVMCDBPSA-N 325.477 4.856 0 40 EJAB CCCCCCOc1ccc(C(=O)N2CCOC23CCCCC3)cc1 35671117 ODWZDLGELVYTJM-UHFFFAOYSA-N 345.483 4.779 0 40 EJAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccc(C)c3ncccc23)c1 41157025 VMZFTOFGTZCSTM-MRXNPFEDSA-N 334.419 4.566 0 40 EJAB CC(=O)c1sc(-c2ccc(Nc3nc(C)cs3)cc2)nc1C 58210149 SAJHZPDMLJABQV-UHFFFAOYSA-N 329.450 4.830 0 40 EJAB CCCCN(C(=O)c1ccc(C(F)(F)F)nc1C)c1ccccc1 58692907 JATLOWWEDPFFNX-UHFFFAOYSA-N 336.357 4.856 0 40 EJAB O=C(NC1(c2ccc(F)cc2)CCC1)c1ccccc1C(F)(F)F 60084674 CPODYALDLFKCJS-UHFFFAOYSA-N 337.316 4.654 0 40 EJAB C[C@H](Oc1ccccc1)C(=O)Nc1ccc2c(c1)oc1ccccc12 60400827 JISQUIWVUWJJKP-AWEZNQCLSA-N 331.371 4.992 0 40 EJAB Clc1cc(CSc2nc(-c3cccs3)n[nH]2)cc(Cl)n1 60533571 MRVFTTKEXKKKOJ-UHFFFAOYSA-N 343.264 4.527 0 40 EJAB CCN(C(=O)c1ccc(-c2ccccc2Cl)o1)c1cccnc1 68304352 WMDKUZSTINJTHJ-UHFFFAOYSA-N 326.783 4.662 0 40 EJAB CC[C@H](Oc1ccccc1F)C(=O)N[C@@H](CC)c1ccc(C)c(C)c1 219582469 NFPWYHUYJUPVIF-OALUTQOASA-N 343.442 4.867 0 40 EJAB Cc1nc(Oc2ccccc2F)nc(C)c1NC(=O)C1CCCCC1 224336160 PVPLMMKUFFSYAO-UHFFFAOYSA-N 343.402 4.544 0 40 EJAB Oc1nc(SCc2ccc(Cl)c(Cl)c2)nc2sccc12 408597857 QBKOPXJIYKQQGH-UHFFFAOYSA-N 343.260 4.996 0 40 EJAB Cc1ccc(/C=C2\S[C](Nc3cc(Cl)ccc3C)NC2=O)cc1 408808484 PWMSXTULGIDLOP-UHFFFAOYSA-N 343.859 4.720 0 40 EJAB Cc1nc(-c2ccncc2)nc(N2CCC[C@H]2c2cccs2)c1C 521532201 VCHSVGJOXVGSOL-INIZCTEOSA-N 336.464 4.558 0 40 EJAB Cc1ccc(OCc2ccccc2)c(C(=O)[C@H]2O[C@H]2c2ccccc2)c1 162490 QYQBUZZABOEKLY-XZOQPEGZSA-N 344.410 4.897 0 40 EJAB Cc1ccccc1NC(=O)COc1ccc2oc3c(c2c1)CCCC3 348646 FRVXVIRYWSFYDA-UHFFFAOYSA-N 335.403 4.638 0 40 EJAB COc1ccc(-c2nc(NCc3ccccc3)c3ccccc3n2)cc1 551210 QAQHNHBPNCLBOU-UHFFFAOYSA-N 341.414 4.918 0 40 EJAB C/C(Cl)=C/CSc1nc2ccccc2c(=O)n1-c1ccccc1 1754723 FTLPEZNOEWFMIT-QBFSEMIESA-N 342.851 4.620 0 40 EJAB CCCSc1nc(SC)c2c3c(sc2n1)COC(C)(C)C3 2375473 WGTZKYCCHXAXFO-UHFFFAOYSA-N 340.539 4.767 0 40 EJAB COc1ccc(OC(=O)Cc2ccc(Cl)cc2)c(C(C)(C)C)c1 3262773 SXDGRXYSKCLIRG-UHFFFAOYSA-N 332.827 4.794 0 40 EJAB CCOc1ccc2nc(NC(=O)CCC3CCCCC3)sc2c1 3455008 CAGGFYDYHCBLCL-UHFFFAOYSA-N 332.469 4.994 0 40 EJAB COc1ccc(-c2cnc(NCc3c(F)cccc3Cl)n2C)cc1 4678556 MGPQTRJQXNENAU-UHFFFAOYSA-N 345.805 4.500 0 40 EJAB COc1cc(-c2nc3ccccn3c2Nc2ccc(C)cc2)ccc1O 4733908 MYCLFFSHQNYHIA-UHFFFAOYSA-N 345.402 4.768 0 40 EJAB CC(C)(C)c1ccc(-c2nnnn2-c2ccc(Cl)c(Cl)c2)cc1 4953209 ZYIIDZFYGLDDMW-UHFFFAOYSA-N 347.249 4.934 0 40 EJAB O=C1/C(=C/c2ccccc2)N=C(c2ccccc2)N1Cc1ccccc1 5257390 RLDJPVOPEYBWFF-PGMHBOJBSA-N 338.410 4.517 0 40 EJAB Cc1ccccc1NC(=O)CSc1nc(-c2ccccc2)cs1 5971957 ZLMJYTAQDMAYKU-UHFFFAOYSA-N 340.473 4.849 0 40 EJAB COc1ccc(Cl)cc1-c1n[nH]c(SCc2ccccc2F)n1 6464077 YNROMHSJMPVENU-UHFFFAOYSA-N 349.818 4.565 0 40 EJAB O=C(c1ccc(Cl)s1)N(Cc1ccccc1)Cc1ccco1 6882281 HMSBVXUOHPQBQN-UHFFFAOYSA-N 331.824 4.837 0 40 EJAB CC[C@@H](O)c1nc2ccccc2n1CCCOc1cc(C)cc(C)c1 7425472 ZEOWFFPZXZPPFW-HXUWFJFHSA-N 338.451 4.566 0 40 EJAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc(F)cc1Cl 7605927 YPXMFCDXHPLXCC-JTQLQIEISA-N 342.197 4.847 0 40 EJAB CCn1c(SCC(=O)c2c(C)[nH]c3ccccc23)nc2ccccc21 8013673 KAVZQAUEGKPMGH-UHFFFAOYSA-N 349.459 4.821 0 40 EJAB C[C@H](NC(=O)c1ccc(Br)cc1)c1cc2ccccc2o1 8062415 JVVGHRMLTQDULH-NSHDSACASA-N 344.208 4.686 0 40 EJAB C[C@H](Nc1ccccc1)c1nc2scc(-c3ccccc3)c2c(=O)[nH]1 9468863 VZXMYHVQMBNJPV-ZDUSSCGKSA-N 347.443 4.825 0 40 EJAB Cc1ccccc1[C@H]1CC(=O)Nc2[nH]nc(-c3ccc(Cl)cc3)c21 9546545 OKGOSBCJQGNRTC-OAHLLOKOSA-N 337.810 4.513 0 40 EJAB CN(Cc1nc2ccccc2s1)c1ncnc2cc(Cl)ccc12 12876649 FNBWNARFYMTGSV-UHFFFAOYSA-N 340.839 4.529 0 40 EJAB COc1ccc(CN(Cc2ccncc2)Cc2ccc(C)s2)cc1 13570244 HRBSWIGUVGAOKF-UHFFFAOYSA-N 338.476 4.663 0 40 EJAB N=C1S/C(=C\c2cccc(F)c2)C(=O)N1c1ccc(Cl)cc1 16399092 JVVGCLXQEJIXGN-RBCZPYDQSA-N 332.787 4.535 0 40 EJAB CC[C@H](NC(=O)[C@H](C)Sc1ccc(C)cc1)c1ccc(OC)cc1 23649837 SVNAOPBNGGJOEO-KXBFYZLASA-N 343.492 4.752 0 40 EJAB O=C(c1ccc(Cl)cc1)N1CCC[C@H](c2nc3ccccc3o2)C1 24695160 FQILKIPCERSDDJ-AWEZNQCLSA-N 340.810 4.501 0 40 EJAB Cc1ccc2cc(CN3CCc4sccc4C3)c(Cl)nc2c1 25309982 JRDXWNTVSQPKPM-UHFFFAOYSA-N 328.868 4.816 0 40 EJAB COc1ccc(-c2c[nH]c(=S)n2-c2ccc(OC(F)F)cc2)cc1 26424376 SSHYISDNEIPKFD-UHFFFAOYSA-N 348.374 4.812 0 40 EJAB Cc1ccc(-n2ncc(C(=O)Nc3ccc(C)c(Cl)c3)c2C)cc1 29509061 ISBBWRVTKGCPGN-UHFFFAOYSA-N 339.826 4.703 0 40 EJAB CC[C@@H](C)c1noc([C@H]2CCCCN2C(=O)CCC2CCCC2)n1 41123383 ZAJQCHGHJDKMRI-GDBMZVCRSA-N 333.476 4.607 0 40 EJAB Cc1nc(-c2ccc(OCc3cccc(C(F)(F)F)c3)cc2)no1 61112290 DHPRABFJQUNTQG-UHFFFAOYSA-N 334.297 4.643 0 40 EJAB CC(C)c1ccc(C(=O)NCc2ccc(Br)cc2)cc1 72331644 BVAMEVWUWOCIKQ-UHFFFAOYSA-N 332.241 4.503 0 40 EJAB CC(C)c1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)no1 76060607 DSIKTYGFCJNIHK-GHMZBOCLSA-N 339.222 4.847 0 40 EJAB O=C(N[C@H]1CCSc2ccc(F)cc21)[C@H]1CCCc2ccccc21 84581900 NEBNEJMPSSGBDS-WMZOPIPTSA-N 341.451 4.599 0 40 EJAB C[C@@H](NC(=O)Nc1cccc(C(F)(F)F)c1)[C@@H]1C[C@@H]2CC[C@@H]1C2 101358514 BAQRJTWSAPHMNM-BLTAXRJOSA-N 326.362 4.652 0 40 EJAB CCOc1cccc(NC(=O)[C@H](CC)Oc2ccc(Cl)cc2)c1 113956153 BKEOZMUENKFKSV-KRWDZBQOSA-N 333.815 4.535 0 40 EJAB Cc1cc(C)c(-c2csc(NC(=O)c3ccncc3F)n2)cc1C 123908399 ZLTOEXPVKZPGHK-UHFFFAOYSA-N 341.411 4.522 0 40 EJAB COc1ccc([C@H]2CCCCN(C(=O)c3ccc(C)c(C)c3)C2)cc1 208003060 BYXVNZSPGCZIJO-FQEVSTJZSA-N 337.463 4.722 0 40 EJAB CC[C@H](Oc1ccccc1C)C(=O)NCc1ccc2ccccc2c1 222795547 LVRQUDUGIMEORX-FQEVSTJZSA-N 333.431 4.622 0 40 EJAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc3c4c(cccc24)CC3)cc1 224269651 KRTFIUIXIWCTIB-HNNXBMFYSA-N 331.415 4.653 0 40 EJAB Cc1ccc(O[C@H](Cc2cccc(Cl)c2Cl)C(=O)O)cc1C 225083521 KAWRVKHLHRMEJX-OAHLLOKOSA-N 339.218 4.685 0 40 EJAB CC(C)Oc1ccc(NC(=S)NCc2ccccc2Cl)cc1 225372362 LBHIOVHKUNISQL-UHFFFAOYSA-N 334.872 4.614 0 40 EJAB CC[C@H](NC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2)c1ccccc1 225544134 XJBCLOXJODHPDD-IERDGZPVSA-N 337.463 4.600 0 40 EJAB CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCC)c2ncccc12 225906186 RPGMMUJFUAAWBA-HXUWFJFHSA-N 344.455 4.557 0 40 EJAB CC1(C)C[C@@]2(CCCN2CCC(F)(F)F)CN1c1ccc(F)cc1 2037988824 KEABLHAADSWDHP-KRWDZBQOSA-N 344.396 4.601 0 40 EJAB Cc1cc(=O)oc2cc(OC(=O)c3ccc(C(C)(C)C)cc3)ccc12 45254 GEEWFZIZCNGMKE-UHFFFAOYSA-N 336.387 4.618 0 40 EJAB biogenic,in-vitro Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(C(C)C)cc2)c1 505955 MBXNNXHSINQHCL-UHFFFAOYSA-N 326.465 4.554 0 40 EJAB COc1c(OC/C=C(\C)CCC=C(C)C)ccc2ccc(=O)oc12 1664038 MJWGWXGEAHRWOV-NTCAYCPXSA-N 328.408 4.873 0 40 EJAB biogenic,in-vitro Cc1cc(NC(=O)c2cc(-c3ccccc3C)nc3ccccc23)no1 2748977 XASUPINESJILNY-UHFFFAOYSA-N 343.386 4.759 0 40 EJAB Cc1ccc(Nc2ncc(-c3nc4cc(Cl)ccc4o3)cn2)cc1 3030978 DWQBTTKFZUMLOS-UHFFFAOYSA-N 336.782 4.990 0 40 EJAB CN(C(=O)COc1ccc2oc3ccccc3c2c1)C1CCCCC1 3323911 HOBDAISJDNXMFJ-UHFFFAOYSA-N 337.419 4.756 0 40 EJAB CCCCCCNc1nc2sc3c(c2c2ncnn12)[C@H](C)CCC3 5562612 RWUIKFNUHINRLY-GFCCVEGCSA-N 343.500 4.771 0 40 EJAB Cc1cccc(NC(=O)CSc2nc(-c3ccccc3)cs2)c1 5971949 ATSLOACEJCRJPA-UHFFFAOYSA-N 340.473 4.849 0 40 EJAB COc1cccc([C@@H]2Nc3c(C)ccc(C(=O)O)c3[C@H]3C=CC[C@@H]32)c1 6965768 UKGJJMWANLNQQF-FTRWYGJKSA-N 335.403 4.528 0 40 EJAB Cc1nc(-c2ccc(NC(=O)c3c(C)noc3C(C)C)cc2)cs1 7438211 QHXVQNRPDAESHF-UHFFFAOYSA-N 341.436 4.791 0 40 EJAB O=C(CC1CCCC1)N1CCC[C@H](c2nc3ccccc3s2)C1 8104839 KUOOJUFDPCZDRI-HNNXBMFYSA-N 328.481 4.583 0 40 EJAB C[C@H](NCc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(Cl)cc1 8199510 ZEPGDZYZTQYQKC-NSHDSACASA-N 348.233 4.894 0 40 EJAB COc1ccc(C)cc1NC(=O)c1sc2cccc(F)c2c1C 9548202 WUPZXGOEYYXXST-UHFFFAOYSA-N 329.396 4.918 0 40 EJAB CCOc1ccc(CNC(=O)/C(=C/c2ccco2)c2ccccc2)cc1 10448493 WNISFACCPTZFDR-RCCKNPSSSA-N 347.414 4.535 0 40 EJAB CCCCc1nc2ccccc2n1CC(=O)Nc1c(C)cc(C)cc1C 12658056 RJWCNNRRSILQOD-UHFFFAOYSA-N 349.478 4.943 0 40 EJAB CC(C)c1noc([C@@H](C)Sc2nc(C3CC3)nc3ccccc23)n1 12922487 AHYXPAVAJHWUFN-LLVKDONJSA-N 340.452 4.867 0 40 EJAB CC(C)c1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 13041420 QHNMDKYCDRJFQA-UHFFFAOYSA-N 343.370 4.630 0 40 EJAB c1ccc(/N=c2\scc(-c3ccccc3)n2C[C@@H]2CCCO2)cc1 13149067 LCSATNVAEYDHHV-OQLSDQBISA-N 336.460 4.628 0 40 EJAB COc1ccc(CC(=O)Nc2ccc3c(c2)oc2ccccc23)cc1 19938126 COFOOTAMUMDVBJ-UHFFFAOYSA-N 331.371 4.776 0 40 EJAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1cc2ccccc2o1 20139662 CTJJCEGTWBYGNF-UHFFFAOYSA-N 347.370 4.746 0 40 EJAB CCCc1nc2ccc(NC(=O)Cc3cccc(F)c3)cc2s1 22254988 YBWQVIBPBKZHIC-UHFFFAOYSA-N 328.412 4.569 0 40 EJAB Cc1ccc2c(c1)CCCN2C(=O)Cc1c(C)nc2ccccc2c1C 30028938 CSQFWBRGEOUGNM-UHFFFAOYSA-N 344.458 4.682 0 40 EJAB O[C@H](c1ccccc1)[C@H](c1ccccc1)N1CCc2ccccc2C1 31923891 ZRLBPOAWKPNOPZ-XZOQPEGZSA-N 329.443 4.520 0 40 EJAB Cc1ccc(NC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)c(Cl)c1 42709663 BOWVCPGBNRWDNR-UHFFFAOYSA-N 331.847 4.730 0 40 EJAB Cc1ccc(C(=O)Nc2c(C)cc3nc(N)sc3c2C)cc1Cl 45889169 JUUFAFRLVQNSLS-UHFFFAOYSA-N 345.855 4.709 0 40 EJAB Cc1ccc(C)c([C@@H](C)NC(=O)COc2ccc3ccccc3c2)c1 59351449 ZLEKRYUNXIGVHQ-QGZVFWFLSA-N 333.431 4.713 0 40 EJAB O=c1scc(C(F)(F)F)n1Cc1sc2ccccc2c1Cl 72307026 ILYZSISQVGAWNE-UHFFFAOYSA-N 349.786 4.845 0 40 EJAB COc1ccc(C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1C 222774299 RAEZNFHZUIAKLL-HNNXBMFYSA-N 325.452 4.792 0 40 EJAB Cc1cc(O[C@@H](C)C(=O)N[C@H](C)CCc2ccccc2)ccc1Cl 222847565 SBFLHNDQHBRQHW-CVEARBPZSA-N 345.870 4.553 0 40 EJAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1cccc(F)c1 225678120 TTZSBFCIFRPCCD-MRXNPFEDSA-N 344.455 4.723 0 40 EJAB COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cn1 225868644 RONWADACWXBCQU-UHFFFAOYSA-N 344.842 4.584 0 40 EJAB CCSc1ccccc1C(=O)NCC(c1ccco1)c1ccco1 669675499 XOJKPZKJKYRREO-UHFFFAOYSA-N 341.432 4.547 0 40 EJAB C[C@H]1CN=C(N(C(=O)Nc2ccccc2)c2ccc(Cl)cc2)S1 161684 RYQPBCMRVXIOPP-LBPRGKRZSA-N 345.855 4.870 0 40 EJAB CCOc1ccc2ccccc2c1/C=C1/C(=O)N(C)c2ccccc21 575132 UOZBRIAZSAMWLG-XMHGGMMESA-N 329.399 4.756 0 40 EJAB Cc1cccc(NC(=O)CSCc2c(F)cccc2Cl)c1C 582401 NIMYSWCNEJYZFC-UHFFFAOYSA-N 337.847 4.968 0 40 EJAB CN(C)c1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1 1734072 GLFZOJICQKKTND-UHFFFAOYSA-N 330.431 4.523 0 40 EJAB O=C(Nc1ccccc1)c1nnsc1Sc1ccc(Cl)cc1 3105578 ZODVCOFPPLXXLI-UHFFFAOYSA-N 347.852 4.595 0 40 EJAB Cc1ccsc1C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 3356513 LMEWIRZRGYYHTR-UHFFFAOYSA-N 339.464 4.792 0 40 EJAB CCCSc1nc(N)c2c3c(sc2n1)C[C@@H](C(C)(C)C)CC3 3894251 WEXQWVBMJVQVMR-JTQLQIEISA-N 335.542 4.927 0 40 EJAB O=C(NCc1ccc2[nH]c3c(c2c1)CCCC3)c1ccc(Cl)cc1 4138206 SZPPSVJCNANYLL-UHFFFAOYSA-N 338.838 4.630 0 40 EJAB O[C@@H](c1ccccc1)[C@@H](c1ccccc1)c1cc(-c2ccccc2)n[nH]1 4771872 WJLBJHCLFOKJBC-GOTSBHOMSA-N 340.426 4.942 0 40 EJAB O=C1CS[C@@H](c2ccc(Cl)cc2)N1c1nc2ccccc2s1 5002207 SJUBORWFZVAIIV-HNNXBMFYSA-N 346.864 4.728 0 40 EJAB O=C(Nc1ccc(CN2CCCC2)cc1)c1cccc2ccccc12 6000214 CYZNLGAHGASPID-UHFFFAOYSA-N 330.431 4.688 0 40 EJAB Cc1ccc(CC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1C 6085887 ILVOPEPIFPTHME-HJMJHHSWSA-N 325.496 4.567 0 40 EJAB Cc1ccc(C)n1N(Cc1ccccc1)C(=O)c1ccccc1Cl 8475573 PRDOUWLHTVBERG-UHFFFAOYSA-N 338.838 4.737 0 40 EJAB O=C(Nc1cccc(Cl)c1)c1ccc(OCc2cscn2)cc1 12766847 DOSGFRHNWDBGPW-UHFFFAOYSA-N 344.823 4.628 0 40 EJAB CC(=O)c1ccc(C(=O)N(C)[C@@H](C)c2cc3ccccc3o2)s1 13011417 NNDFUVPZGVLJNW-NSHDSACASA-N 327.405 4.530 0 40 EJAB Cc1cccc(CCCNC(=O)CCCOc2ccc(Cl)cc2)c1 13671491 QWDZSSCCNXFCTC-UHFFFAOYSA-N 345.870 4.556 0 40 EJAB O=C1C[C@H](c2ccccc2)c2sc(C(=O)O)c(-c3ccccc3)c2N1 15082120 LMCATMMZRMMYFV-CQSZACIVSA-N 349.411 4.587 0 40 EJAB COc1ccc(-c2cc(Nc3ccccc3Cl)nc(C)n2)cc1 15859149 WGXCKVZRAXBEKS-UHFFFAOYSA-N 325.799 4.858 0 40 EJAB Cc1ccc(NC(=O)Nc2nnc(-c3ccccc3Cl)s2)cc1 17044572 XIQNZBXDVFDMGM-UHFFFAOYSA-N 344.827 4.811 0 40 EJAB COc1ccc(O[C@@H](C)CNc2ccc(Cl)c(Cl)c2)cc1 19737734 IWFMYBNCIWHDOV-NSHDSACASA-N 326.223 4.881 0 40 EJAB Cc1cc(NC(=O)CCC2CCCCC2)n(-c2ccccc2C)n1 20068909 OCLHIYJWBRVCBH-UHFFFAOYSA-N 325.456 4.788 0 40 EJAB CCOc1cc(CNC2CC2)cc(Cl)c1OCc1ccc(C)cc1 20175685 JRRSVYIVCLCOAH-UHFFFAOYSA-N 345.870 4.878 0 40 EJAB Cc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccccc2Cl)c(C)c1 20460764 ZOMITSSNCJWJEH-GJZGRUSLSA-N 331.843 4.602 0 40 EJAB Cc1ccc(-n2ncc3c2C[C@H](c2cccc(Cl)c2)CC3=O)cc1 20632953 BATHJHNERWBOTB-HNNXBMFYSA-N 336.822 4.747 0 40 EJAB CCC(CC)c1cc[n+](Cc2csc(-c3ccc(C)o3)n2)cc1 30515890 KDKSHCJVVKJGAR-UHFFFAOYSA-N 327.473 4.951 0 40 EJAB O=C(c1ccccc1Br)c1c[nH]c2cc(Cl)ccc12 36947573 DLDZKGYHMXXKSB-UHFFFAOYSA-N 334.600 4.815 0 40 EJAB O=C(NCc1ccco1)c1scc(-c2ccccc2)c1-n1cccc1 38655029 ZTACFLGLIASWEG-UHFFFAOYSA-N 348.427 4.729 0 40 EJAB C[C@@H](Sc1nnc(C2CC2)n1Cc1ccco1)c1ccc(F)cc1 40159137 SOQPUHFVSWVLGO-GFCCVEGCSA-N 343.427 4.789 0 40 EJAB CC[C@H](C)c1ccc(OCCC2CCNCC2)c(Br)c1 42770359 JBAWDLHNCYDYOD-ZDUSSCGKSA-N 340.305 4.731 0 40 EJAB CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)c1ccc(C)cc1C 44904304 PPSBDZMMOCHWHV-MAUKXSAKSA-N 345.870 4.992 0 40 EJAB CC[C@@H](C(=O)Nc1ccc(NCc2ccccn2)cc1)c1ccccc1 65519090 TYDQZEQTWJKQBH-OAQYLSRUSA-N 345.446 4.826 0 40 EJAB C[C@H](N[C@@H](C)c1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1 69514812 VSAZFLLOXDCXET-STQMWFEESA-N 327.815 4.802 0 40 EJAB CCc1nnc(O)c(-c2nc(-c3cc(C)ccc3C)cs2)c1CC 79108458 OIBIDOSQZXNVSD-UHFFFAOYSA-N 339.464 4.714 0 40 EJAB Cn1ncc(Nc2nc3cc(C(F)(F)F)ccc3s2)c1C(F)F 89741049 GSJDXCWNAJQFLO-UHFFFAOYSA-N 348.300 4.730 0 40 EJAB COC(=O)c1ccc(OCc2cccc3ccccc23)c(Cl)c1 216852550 BWXJIXDPJFKGBB-UHFFFAOYSA-N 326.779 4.859 0 40 EJAB CC[C@@H](NC(=O)COc1cccc(C)c1C)c1ccc(C)cc1C 222822342 GXBPDTGEORPFIU-LJQANCHMSA-N 325.452 4.567 0 40 EJAB CC[C@H](Oc1cccc(C)c1)C(=O)N[C@@H](C)c1cc(C)c(C)cc1C 223464997 XPRNWGDHWDRWHV-RXVVDRJESA-N 339.479 4.955 0 40 EJAB CC(C)c1ccc(CCC(=O)NCCOc2ccccc2Cl)cc1 224596873 JBJFIXKAIWCFGQ-UHFFFAOYSA-N 345.870 4.591 0 40 EJAB CCCOC1(C(=O)Nc2ccc(OCC(C)C)c(C)c2)CCCC1 225655648 SXDPJUWNWSRUPN-UHFFFAOYSA-N 333.472 4.708 0 40 EJAB CCc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)cc1 225768613 RIRHBWQJXYFSLJ-QZTJIDSGSA-N 339.479 4.819 0 40 EJAB CC(C)Oc1cccc(NC(=O)CSCc2ccccc2Cl)c1 408562991 HKVIYPYHDOUGHG-UHFFFAOYSA-N 349.883 4.999 0 40 EJAB COc1ccc2ccccc2c1-c1nc(O)c2c(C)c(C)sc2n1 408734733 IXKDVLNMUZZWIA-UHFFFAOYSA-N 336.416 4.843 0 40 EJAB C[C@H]1CN(C(=O)C(c2ccccc2)c2ccccc2)c2ccccc21 567907622 OLVLEOUSFDPBDO-KRWDZBQOSA-N 327.427 4.969 0 40 EJAB COc1ccc(/C=C/C(=O)Nc2c(C)cc(C)cc2Cl)c(OC)c1 147376 RVGXADUHPQECEI-SOFGYWHQSA-N 345.826 4.626 0 40 EJAB O=C(Nc1nc2c(s1)CCCC2)c1ccc(Cc2ccccc2)cc1 180511 RDMPSNPYGDIUQF-UHFFFAOYSA-N 348.471 4.865 0 40 EJAB CCc1ccc(NC[C@H](O)Cn2c3ccccc3c3ccccc32)cc1 243488 MMSZWAJLOIMQBF-IBGZPJMESA-N 344.458 4.830 0 40 EJAB CC1CCN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)CC1 323664 NCDPQXAAZAUUMY-UHFFFAOYSA-N 330.431 4.774 0 40 EJAB Cc1ccc(C)c(/C=C2\N=C(c3cccc4ccccc34)OC2=O)c1 478007 SCHSRJRETITZEI-MOSHPQCFSA-N 327.383 4.801 0 40 EJAB O=C(Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1ccco1 2228580 FKEMWLXBODGVPI-UHFFFAOYSA-N 337.766 4.729 0 40 EJAB Cc1ccccc1NC(=O)c1ccccc1NC(=O)c1ccccc1F 4119391 PWYAUNZHCIGKPE-UHFFFAOYSA-N 348.377 4.639 0 40 EJAB Cc1ccc(NC(=O)NCc2ccc3[nH]c4c(c3c2)CCCC4)cc1 4138300 BDTBQDBFRTYLSB-UHFFFAOYSA-N 333.435 4.677 0 40 EJAB Cc1nc2ccccc2cc1C(=O)Nc1ccc(C(F)(F)F)cc1 4185954 BJECPPPEOCEPHV-UHFFFAOYSA-N 330.309 4.814 0 40 EJAB COc1ccc(C)c2sc(NC(=O)c3ccc(Cl)cc3)nc12 4330782 AZGUGMCYCOHGJX-UHFFFAOYSA-N 332.812 4.519 0 40 EJAB c1ccc(-c2cc3c(SC[C@@H]4CCCO4)ncnc3s2)cc1 6602311 YHCHTSMYBVKGPR-ZDUSSCGKSA-N 328.462 4.629 0 40 EJAB Fc1ccc(CCNCc2ccc(OCc3cccs3)cc2)cc1 7523982 UWSCGOKENOQIHW-UHFFFAOYSA-N 341.451 4.799 0 40 EJAB CC[C@@H](C)c1ccc(NC(=O)CSCc2c(C)noc2C)cc1 7780598 QMPSREWPMWRISL-GFCCVEGCSA-N 332.469 4.677 0 40 EJAB C[C@H](NCc1ccc(-n2ccnc2)cc1)c1ccc2c(c1)CCCC2 7985282 MDKOONLZSMASDB-KRWDZBQOSA-N 331.463 4.602 0 40 EJAB O=C(Nc1nnc(C2CCCCC2)s1)c1ccc2ccccc2c1 9138200 OJDJRGDNRCFOPJ-UHFFFAOYSA-N 337.448 4.991 0 40 EJAB CCn1c(SCCOc2cccc(C)c2C)nc2ccccc21 12062280 OELIZFOMYRYOCZ-UHFFFAOYSA-N 326.465 4.844 0 40 EJAB C[C@@H](c1ccccc1)n1cnc2scc(-c3ccccc3)c2c1=O 21790144 LNDLMNUBSDFIMC-AWEZNQCLSA-N 332.428 4.734 0 40 EJAB C[C@H](c1cc2ccccc2o1)N(C)C(=O)[C@@H](C)n1cnc2ccccc21 30606098 KMBSWAXMFUQEEJ-HUUCEWRRSA-N 347.418 4.563 0 40 EJAB CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc(-c2ccccc2)cc1 30658023 TXBYBRYEAODXJA-UHFFFAOYSA-N 341.414 4.502 0 40 EJAB CCC(CC)C(=O)Nc1ccc(-c2nc(-c3ccccc3)no2)cc1 32622097 OUYCKZWHEKFLGI-UHFFFAOYSA-N 335.407 4.778 0 40 EJAB C[C@H]1CCCN(C(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)CC1 58424895 RDOAIXXEZYHQCH-AWEZNQCLSA-N 346.858 4.576 0 40 EJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)c1ccc(C)c(C)c1 59351291 JRDYJQWUIGGOMG-BEFAXECRSA-N 345.870 4.992 0 40 EJAB CC(C)(C)OC(=O)N1CCC[C@@H](CSc2ccc(F)cc2)C1 72203985 MXUKQWRNJFXWBB-CYBMUJFWSA-N 325.449 4.565 0 40 EJAB Fc1cccc(-c2cccc([C@H]3CCCN(Cc4cccnc4)C3)n2)c1 72348839 CLCDALOQQUCTTF-IBGZPJMESA-N 347.437 4.662 0 40 EJAB CC(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 82193565 XXSFRYVGIQYVIQ-CHGXYLGDSA-N 330.512 4.761 0 40 EJAB Cc1ccc(SCCC(=O)N[C@H]2CCCc3ccccc32)cc1 113932635 NABOTHFOVDBULT-IBGZPJMESA-N 325.477 4.671 0 40 EJAB Cc1cc(O[C@@H](Cc2ccc(C)c(Cl)c2)C(=O)O)ccc1Cl 225080051 DZKFEBOFNLEXFB-INIZCTEOSA-N 339.218 4.685 0 40 EJAB CCOc1ccc(CCCNC(=S)Nc2ccccc2Cl)cc1 225621426 KDVHGBXWSTWXNM-UHFFFAOYSA-N 348.899 4.658 0 40 EJAB CCc1ccc(NC(=S)NC[C@@H](CC)Cc2ccccc2)cc1 225630490 CSOZJCHTHBAEAE-KRWDZBQOSA-N 326.509 4.804 0 40 EJAB Cc1cccc(NC(=S)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)c1 225672128 WPPSVPRODZTWBU-KRWDZBQOSA-N 340.492 4.892 0 40 EJAB CC(=O)[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](CC[C@H]4O)[C@H]3CC[C@@]2(C)C1 253617281 HAAMJEYGPJBHCI-BMZFMZSISA-N 332.528 4.985 0 40 EJAB Cc1ccc(C)c([C@@H](NCc2cc(C)[nH]n2)c2ccccc2Cl)c1 608063254 DKJIYTNSAHIZEH-FQEVSTJZSA-N 339.870 4.868 0 40 EJAB CCc1cc2c(cc1OC)CC[C@@H]1[C@@H]2CC[C@@H]2C(OC(C)=O)=CC[C@H]21 1569978421 HLSSQLHBIUMIOX-VJANTYMQSA-N 340.463 4.781 0 40 EJAB CC(=O)c1sc2nc(SCc3ccccc3C)nc(O)c2c1C 1615588826 HZGPHFXNQLJELD-UHFFFAOYSA-N 344.461 4.509 0 40 EJAB C[C@@H](CCN1CC=C(c2c[nH]c3ncccc23)CC1)c1ccccc1 1657629413 JXPMDNIVKUHOKT-KRWDZBQOSA-N 331.463 4.846 0 40 EJAB Cc1cccc(N(C(=O)Nc2ccccc2)C2=NC[C@@H](C)S2)c1 86419 CKZXIQSIKPUGGJ-CQSZACIVSA-N 325.437 4.525 0 40 EJAB CCc1cccc(C)c1NC(=O)COc1ccccc1C(C)(C)C 133603 QSGTWMVUUDOFJS-UHFFFAOYSA-N 325.452 4.872 0 40 EJAB Cc1ccccc1-c1nnc(N(C(=O)C2CCCCC2)C(C)C)s1 1345367 GVDRXRADCBHENF-UHFFFAOYSA-N 343.496 4.835 0 40 EJAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cc(Cl)ccc1Cl 2695300 ZJMAVNOQXGKUCL-SECBINFHSA-N 328.170 4.539 0 40 EJAB O=C(OCc1nc2ccccc2s1)c1ccc(Cl)cc1Cl 2699344 NGJIOYREYZSQCG-UHFFFAOYSA-N 338.215 4.960 0 40 EJAB COc1ccc(NC(=O)Nc2ccc3nc(SC)sc3c2)cc1 3264653 HNNPEPFMNAROOK-UHFFFAOYSA-N 345.449 4.671 0 40 EJAB Cc1nc(SCC(=O)c2cc(C)c(C)cc2C)c2ccccc2n1 3346166 XYPNFWZUXAELHY-UHFFFAOYSA-N 336.460 4.838 0 40 EJAB Cc1cc(C)nc(SCc2cc(Cl)ccc2OC(F)F)n1 3354132 SCDVNCYZVHCQES-UHFFFAOYSA-N 330.787 4.641 0 40 EJAB CCCN(CCC)C1=N/C(=C\c2ccccc2)C(=O)N1c1ccccc1 4664716 XPEIZBZVYNKDTP-JZJYNLBNSA-N 347.462 4.552 0 40 EJAB CC(C)[C@@H]1C[C@H]2CC[C@H]3[C@](C)(C(=O)O)CCC[C@]3(C)[C@@H]2C[C@@H]1CO 5022268 KZSCUPZZIHOXHT-BCUYJECFSA-N 336.516 4.584 0 40 EJAB CN(Cc1ccccc1)C(=O)/C(=C/c1ccccc1)c1ccccc1 6451928 DLCKOIFPYUTHAT-OQKWZONESA-N 327.427 4.886 0 40 EJAB CC(=O)Nc1ccc(S[C@@H](C)C(=O)c2cc(C)c(C)cc2C)cc1 6788210 QETAOLHXYGUCNM-HNNXBMFYSA-N 341.476 4.934 0 40 EJAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccc(-n2cccc2)c1 6831624 JGKBSOWPEMMOJW-UHFFFAOYSA-N 346.308 4.628 0 40 EJAB CC(C)[C@@H]1C[C@@](CCNCc2ccco2)(Cc2ccccc2)CCO1 9047502 FTYLBMAHZDXPAM-FCHUYYIVSA-N 341.495 4.823 0 40 EJAB O=C(CSc1ccc(Cl)cc1)Nc1ccc2scnc2c1 10217616 IBJVXCPWNUDKBN-UHFFFAOYSA-N 334.853 4.681 0 40 EJAB Cc1sc2nc(CN(C)c3ccc4ccccc4c3)nc(N)c2c1C 12543606 KHHNVFUJLKAUSG-UHFFFAOYSA-N 348.475 4.680 0 40 EJAB CC[C@@H]1c2ccsc2CCN1C(=O)/C=C/c1cc(C)ccc1OC 12988069 VUFAODVXAHLLHA-DBWMJRBXSA-N 341.476 4.614 0 40 EJAB Cc1nc(-c2ccc(CCNC(=O)CCC3CCCC3)cc2)cs1 14673372 IWLDJBUSPFTQRY-UHFFFAOYSA-N 342.508 4.748 0 40 EJAB CCOc1cc2ccccc2cc1C(=O)N[C@H]1CCc2ccccc21 14683116 VEOQGDCYVGXFMK-FQEVSTJZSA-N 331.415 4.656 0 40 EJAB Cc1nc(-c2cccs2)c(CC(=O)Nc2ccc(F)cc2)s1 15840158 WYDMNPHAWAIDGU-UHFFFAOYSA-N 332.425 4.500 0 40 EJAB COc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1Cl 20096533 DCCVLSNKHBWBKY-UHFFFAOYSA-N 329.827 4.799 0 40 EJAB Cc1sc2c(c1C)CN(C(C)(C)C)CN2C(=O)c1ccccc1 20193330 SXYXUQICKPCZID-UHFFFAOYSA-N 328.481 4.583 0 40 EJAB C[C@@H](NC(=O)CCC(=O)c1ccccc1)c1cccc2ccccc12 23433583 AVWPLOKSFNOPHB-MRXNPFEDSA-N 331.415 4.680 0 40 EJAB Cc1ccc(C)c([C@H](C)NC(=O)CCc2ncc(-c3ccccc3)o2)c1 24961334 YVFTXOFPBIMCSA-KRWDZBQOSA-N 348.446 4.768 0 40 EJAB Cc1cc(CNc2nc(-c3ccncc3)nc3ccccc23)ccc1F 25165714 HIISNMLKLUPIMO-UHFFFAOYSA-N 344.393 4.751 0 40 EJAB Cc1ccc(NCc2cc(=O)oc3cc(C)c(Cl)cc23)cc1F 25425457 HKAKPXQEOTVEFR-UHFFFAOYSA-N 331.774 4.814 0 40 EJAB Fc1ccc2oc([C@H]3CCN(Cc4ccc(Cl)cc4)C3)nc2c1 35446899 PJMKCPOXLPKRES-ZDUSSCGKSA-N 330.790 4.610 0 40 EJAB biogenic,in-vitro CCOc1ccc(C(=O)CN(c2ccccc2)c2ccccn2)cc1 35682836 MLQXFUUCQOTBNS-UHFFFAOYSA-N 332.403 4.501 0 40 EJAB CC(C)c1ccc(CCC(=O)N(C)[C@H](C)CCc2ccco2)cc1 36614081 LOGHSQZDVQVGAC-QGZVFWFLSA-N 327.468 4.815 0 40 EJAB Cc1nccn1Cc1ccc(C(=O)Nc2cccc3ccccc23)cc1 38834091 HNAWCGVJEKIAJI-UHFFFAOYSA-N 341.414 4.645 0 40 EJAB Cc1ccc([C@H](C)NC(=O)c2ccc(OCc3ccccc3)cc2)o1 39975811 RNMSCJGHCWZEPO-INIZCTEOSA-N 335.403 4.658 0 40 EJAB COc1cc([C@@H](C)NC(=O)c2cccs2)ccc1OC1CCCC1 48339857 UKDFYWYRTDSWGY-CYBMUJFWSA-N 345.464 4.569 0 40 EJAB Cc1ccc(-n2nc(C(=O)O)cc2-c2ccc3ccccc3c2)cc1 62423893 YXVSGSJKPJSYNV-UHFFFAOYSA-N 328.371 4.699 0 40 EJAB CC(C)[C@@H]1CCCN1C(=O)c1cc2ccccc2n1Cc1ccccc1 63814005 SGHDCLYWLFDBTR-FQEVSTJZSA-N 346.474 4.950 0 40 EJAB Fc1ccccc1Cc1cccc([C@H]2CCCN2Cc2ccncc2)n1 72357666 DCSCIVLNWKWZFJ-JOCHJYFZSA-N 347.437 4.544 0 40 EJAB COCCCSc1ccc(NC(=O)N(C)[C@H](C)c2ccco2)cc1 95396257 LOJFBUSEQLABNA-CQSZACIVSA-N 348.468 4.633 0 40 EJAB CC(C)c1nccn1-c1ccc(NC(=O)C[C@H]2C[C@H]3CC[C@@H]2C3)cc1 96191757 NZHRWYQZVFHTPQ-GVDBMIGSSA-N 337.467 4.761 0 40 EJAB CC(C)C[C@H](NC(=O)C[C@@H]1CCO[C@H](C(C)C)C1)c1cccs1 97081230 SIBXVZAITTWSIZ-IKGGRYGDSA-N 337.529 4.793 0 40 EJAB O=C(O)c1cccc(-c2cccc([N+](=O)[O-])c2OCc2ccccc2)c1 219141639 KTNFQSVURRYQBL-UHFFFAOYSA-N 349.342 4.539 0 40 EJAB Cc1ccc(C)c(OCCNC(=O)c2ccc(-c3ccccc3)cc2)c1 223981114 GUDCICULWHNLAN-UHFFFAOYSA-N 345.442 4.779 0 40 EJAB CCOc1ccc(C(=O)N[C@@H](C)CC)cc1COc1cccc(C)c1 224380769 KYSHSJNUXKQXKZ-INIZCTEOSA-N 341.451 4.501 0 40 EJAB CCCCOc1ccccc1C(=O)OCC(=O)c1ccc(Cl)cc1 408588934 XGZQXGZGTPUYAC-UHFFFAOYSA-N 346.810 4.559 0 40 EJAB Cc1ccc(Sc2ccc(/C=C3/SC(=O)N(C)C3=O)cc2)cc1 409233351 FRYWPIONCRFXBL-LFIBNONCSA-N 341.457 4.812 0 40 EJAB O=C(NCCc1ccc(-c2cccs2)s1)Nc1ccccc1 1889291085 FOWHPSHLYIPHIL-UHFFFAOYSA-N 328.462 4.841 0 40 EJAB CCOc1ccc(-c2nnc(N3CCCCC3)c3ccccc23)cc1 98762 RXQMXOKIXOVTJH-UHFFFAOYSA-N 333.435 4.686 0 40 EJAB Cc1ccc2c(c1)C(C)(C)[C@@]1(/C=C/c3cccs3)N=C(O)CCN21 507276 LANOGHUAWHZQNC-MFUYTVRRSA-N 338.476 4.924 0 40 EJAB CCCOC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 1807970 VWCAGCMFPRMWBF-UHFFFAOYSA-N 339.435 4.803 0 40 EJAB CCN(CC)c1ccc2cc(-c3ccccc3Cl)c(=O)oc2c1 2510883 PBERUVRBQXSUGP-UHFFFAOYSA-N 327.811 4.960 0 40 EJAB biogenic O=C(c1cc(Cl)cc(Cl)c1)c1cccc(CN2CC=CC2)c1 2515419 LFODRXDUWVNIBY-UHFFFAOYSA-N 332.230 4.596 0 40 EJAB O=C(COc1ccccc1Cl)Oc1cc(Cl)ccc1Cl 3336756 SKECBCDTYKCRLD-UHFFFAOYSA-N 331.582 4.631 0 40 EJAB COc1ccc(-c2nnc(SCc3cccc(Cl)c3)o2)cc1 4475391 SAMPKOAEOMFIOY-UHFFFAOYSA-N 332.812 4.691 0 40 EJAB Cc1oc(-c2cc(Cl)ccc2Cl)cc1-c1nnc(S)o1 4540199 BYUVYNZWPGWHPI-UHFFFAOYSA-N 327.192 4.901 0 40 EJAB CC1CCN(C(=S)c2ccc(OCc3ccccc3F)cc2)CC1 4723311 WHWOYUNJKHHOAL-UHFFFAOYSA-N 343.467 4.812 0 40 EJAB O=C(Cc1c(Cl)cccc1Cl)NC12CC3CC(CC(C3)C1)C2 5557351 KMCJEHWUCNTRQM-UHFFFAOYSA-N 338.278 4.621 0 40 EJAB C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(C(F)(F)F)cc1 5862070 KOVPPZPRCHEAHS-SNVBAGLBSA-N 343.732 4.765 0 40 EJAB O=C1/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)Sc2ccccc21 6423302 IKXMKOMCGBRSQD-LDADJPATSA-N 348.383 4.715 0 40 EJAB Cc1ccc(C(=O)N(Cc2ccco2)Cc2sccc2C)cc1 6747319 IJJZCJLCZCFAKS-UHFFFAOYSA-N 325.433 4.801 0 40 EJAB Cc1cccc(-n2c(C)nnc2SCc2ccc(Cl)cc2)c1 6912938 LUDGMERLMKFMST-UHFFFAOYSA-N 329.856 4.830 0 40 EJAB COc1cc(CNC2CCCCC2)ccc1OCc1ccccc1 8471976 GXCKCLWUHPKMJJ-UHFFFAOYSA-N 325.452 4.697 0 40 EJAB Cc1ccccc1NCCC(=O)NC(c1ccccc1)c1ccccc1 8780273 ZMWUQLHYRSFQQQ-UHFFFAOYSA-N 344.458 4.703 0 40 EJAB CSCCSc1nnc(Nc2ccc(C(C)C)cc2)s1 9509526 ZZBMVWOIBFAYFY-UHFFFAOYSA-N 325.528 4.860 0 40 EJAB C[C@@H](Sc1ncnc2sccc12)c1nnc(-c2cccs2)o1 9606490 QLGNZGKSRVCOHV-MRVPVSSYSA-N 346.462 4.656 0 40 EJAB CCc1ccc(CCC(=O)Nc2ccccc2Br)cc1 10329027 ZEKVWISTDBKDOV-UHFFFAOYSA-N 332.241 4.583 0 40 EJAB c1csc(-c2nnc3sc(-c4ccc5ccccc5c4)nn23)c1 12653735 XUCDWINVKRGAPS-UHFFFAOYSA-N 334.429 4.735 0 40 EJAB C[C@H](Oc1cccc2ccccc12)C(=O)NCc1ccc(Cl)cc1 13709030 UQSWULXEMKASDB-AWEZNQCLSA-N 339.822 4.577 0 40 EJAB CC(=O)c1c(C)[nH]c(C(=O)c2cc3c(ccc4ccccc43)o2)c1C 15215849 GMEAEOBROLEGAV-UHFFFAOYSA-N 331.371 4.965 0 40 EJAB Cc1cc(Br)ccc1NC(=O)C(C)(C)c1ccccc1 19422275 MIQUVNATDTZGCP-UHFFFAOYSA-N 332.241 4.674 0 40 EJAB CCc1ccccc1O[C@@H](C)C(=O)N[C@H](CC)c1ccc(C)cc1 20105602 FMWKJSADZCCXAU-QFBILLFUSA-N 325.452 4.592 0 40 EJAB O=C(Nc1ncc(Cc2cccc(Cl)c2Cl)s1)C1CCC1 26366441 YRDXKUDGVAOQJI-UHFFFAOYSA-N 341.263 4.779 0 40 EJAB CC1(C)C[C@@H](NCC[C@@](C)(c2ccccc2)c2cccs2)CCO1 32093802 PHVYRZUFYKXMPO-RXVVDRJESA-N 343.536 4.991 0 40 EJAB Cc1cc(Cl)ccc1NC(=O)c1cc(-c2cccc(Cl)c2)[nH]n1 57412656 WNFXYMVTWXBFAB-UHFFFAOYSA-N 346.217 4.944 0 40 EJAB CC(=O)c1cccc(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)c1 59643023 ANFVVLHAXBGEOX-ACCUITESSA-N 331.371 4.801 0 40 EJAB Cc1ccc(NC(=S)Nc2ccc(Br)cc2)c(F)c1 71326082 NXMUOIHGMSDFSM-UHFFFAOYSA-N 339.233 4.706 0 40 EJAB Cc1cc(CC(=O)Nc2ccc(F)cc2-c2ccc(Cl)cc2)no1 71907518 RGWMZKKAVDWPJO-UHFFFAOYSA-N 344.773 4.624 0 40 EJAB Cc1cc(C)c(NC(=O)c2cnc(-c3ccccc3)nc2C)c(C)c1 75437321 JKDIKLCTHXDQGZ-UHFFFAOYSA-N 331.419 4.630 0 40 EJAB CCc1nnc([C@@H](C)SCc2cc(-c3ccc(C)cc3)no2)o1 96467782 CTLQVOCOUFIBCM-GFCCVEGCSA-N 329.425 4.590 0 40 EJAB FC(F)(F)Oc1ccc(OCc2ccc(Br)cc2)cc1 135005145 MGWMGVQKKWPHQM-UHFFFAOYSA-N 347.130 4.927 0 40 EJAB Cc1nc(C(=O)N2CCCC[C@@H](c3ccc(Cl)cc3)C2)cs1 206876599 LVBFWJCYZIRESU-CQSZACIVSA-N 334.872 4.515 0 40 EJAB O=C(CCc1cccc2ccccc12)N[C@@H]1CCCc2ccccc21 222675005 VRXQPTBGBPPNFD-JOCHJYFZSA-N 329.443 4.966 0 40 EJAB CCCC[C@H](CC)CNC(=O)[C@H](CC)Oc1ccccc1Cl 224440482 RGPFURWAUVEAAC-HOCLYGCPSA-N 325.880 4.830 0 40 EJAB CCc1ccccc1C[C@H](Oc1ccccc1C(C)(C)C)C(=O)O 225039890 GRGVBHXNLNHPRS-IBGZPJMESA-N 326.436 4.621 0 40 EJAB O=C(CCc1ccc(Cl)c(Cl)c1)NCCSC1CCCC1 225342022 DGNFXVAEHFNTOA-UHFFFAOYSA-N 346.323 4.718 0 40 EJAB C[C@@H]1CC[C@](C)(COC(=O)[C@@H]2C(=O)[C@@]3(C)CC[C@H]2C3(C)C)C1(C)C 245239278 HCERMHIQIKFMFV-GBSCFTLHSA-N 334.500 4.633 0 40 EJAB O=C(/C=C/c1ccccc1)N[C@H](c1ccsc1)c1cccs1 390827228 VEVZAOUGLAPHIK-GFOMBABLSA-N 325.458 4.729 0 40 EJAB O=C(NCCc1ccc(-c2ccoc2)s1)c1c(F)cccc1Cl 390831545 SKXXBEOWPULOCD-UHFFFAOYSA-N 349.814 4.773 0 40 EJAB CC(C)(C)OC(=O)NCCOc1c(Cl)cc(Cl)cc1Cl 498050807 UTTWDMLKUALLFM-UHFFFAOYSA-N 340.634 4.550 0 40 EJAB CCc1cccc2c(CN3CCC[C@@H](c4nccs4)C3)c[nH]c12 2037850006 GXABLHXGBLALQP-OAHLLOKOSA-N 325.481 4.566 0 40 EJAB Cc1ccc(Oc2ccc(F)cc2OC[C@@H]2CCCN(C)C2)cc1 2037873285 SMZKTTYAQSVMKJ-MRXNPFEDSA-N 329.415 4.647 0 40 EJAB N[C@H](COc1ccc(F)cc1Oc1ccccc1)Cc1ccccc1 2037873301 GUTSSRNICQMVKP-SFHVURJKSA-N 337.394 4.567 0 40 EJAB O=C(Nc1cccc([N+](=O)[O-])c1)C1[C@@H]2CCC=CCCC=CCC[C@@H]12 27734 MWKIJKCNHZZODI-PWCSWUJKSA-N 340.423 4.862 0 40 EJAB O[C@@H](c1ccc(Cl)cc1)[C@H](c1ccccc1)N1CCCCCC1 500991 JFAWEJBCVBGKNT-PMACEKPBSA-N 329.871 4.991 0 40 EJAB CC(=O)N(CC[C@@H](c1ccccc1)c1ccco1)Cc1cccs1 551307 QQOFIKYXBNAFHI-IBGZPJMESA-N 339.460 4.912 0 40 EJAB CCOC(=O)/C(=C/c1ccccc1Cl)P(=O)(OCC)OCC 1625059 LBNOGAOWELCLMX-KAMYIIQDSA-N 346.747 4.510 0 40 EJAB O=C(c1cccc(CN2CC=CC2)c1)c1ccc(Cl)c(Cl)c1 2515418 DPKLXXPVYTVVDX-UHFFFAOYSA-N 332.230 4.596 0 40 EJAB CC[C@H](C(=O)O[C@H]1C[C@H](C)CC[C@@H]1C(C)C)C(=O)c1ccccc1 3846432 DMADGBHCTZPDTK-LULLPPNCSA-N 330.468 4.900 0 40 EJAB CCn1cc(SCC(=O)Nc2cccc(F)c2)c2ccccc21 4060541 VQAJOKOIMHGACW-UHFFFAOYSA-N 328.412 4.531 0 40 EJAB CC(C)[C@H]1C[C@@H]2CC[C@H]3[C@](C)(C(=O)O)CCC[C@]3(C)[C@@H]2C[C@@H]1CO 5022267 KZSCUPZZIHOXHT-JLKUWVSASA-N 336.516 4.584 0 40 EJAB CCn1cnc2cc(NC(=O)c3ccccc3-c3ccccc3)ccc21 5452166 NCYSQKMPUGTKTB-UHFFFAOYSA-N 341.414 4.976 0 40 EJAB Cc1ccc(-c2csc3ncnc(NCc4ccccn4)c23)cc1 6131363 JZBUVSQMZBERPX-UHFFFAOYSA-N 332.432 4.674 0 40 EJAB CCCCOC(=O)c1ccc(NC(=O)c2cc(C)cc(C)c2)cc1 6650633 ILMLDEYFOCBFAE-UHFFFAOYSA-N 325.408 4.513 0 40 EJAB CCCCN(Cc1ccccc1)Cc1nnc(-c2ccc(C)cc2)o1 6661210 JYRWEDYQNNECMV-UHFFFAOYSA-N 335.451 4.847 0 40 EJAB O=C(CCC(=O)c1ccc(-c2ccccc2)cc1)Nc1ccccc1 7913988 DLGXSNOXUWYJBM-UHFFFAOYSA-N 329.399 4.955 0 40 EJAB O=C(Nc1nc(-c2ccccc2)cs1)c1cc2c(s1)CCC2 9499244 FQSNEMZEKWKNRH-UHFFFAOYSA-N 326.446 4.613 0 40 EJAB O=C1c2cccc3cccc(c23)N1Cc1cc(-c2cccs2)on1 14214556 RMFPPOWFQMDNCH-UHFFFAOYSA-N 332.384 4.717 0 40 EJAB Cc1cc(-c2ccc(F)cc2)cc(C2CCN(C(=O)C(C)C)CC2)n1 19691175 QOQXMMDJYMPWPP-UHFFFAOYSA-N 340.442 4.558 0 40 EJAB O=C(c1c[nH]c2ccccc12)[C@@H](NCc1ccccc1)c1ccccc1 23881841 ZLEJVXCNWPKJSV-QFIPXVFZSA-N 340.426 4.882 0 40 EJAB Cc1ccc(-c2nc(CSc3ccc4c(c3)OCCO4)co2)cc1 25952836 QXLGZNXZKBUZRJ-UHFFFAOYSA-N 339.416 4.714 0 40 EJAB O=C(Nc1ccc(F)cc1)N1CCS[C@H]1c1ccccc1Cl 28232358 GXKXQJSRHHYADO-HNNXBMFYSA-N 336.819 4.759 0 40 EJAB CC(=O)c1cc(Cl)ccc1OCc1cc(F)cc2cccnc12 31607516 LAAKODNICLVIRU-UHFFFAOYSA-N 329.758 4.809 0 40 EJAB O=C(Nc1ccc(-c2cc[nH]n2)cc1)C1(c2cccs2)CCCC1 38678688 JUOLLGDBPHJQNU-UHFFFAOYSA-N 337.448 4.589 0 40 EJAB Cc1cc(NCC(C)C)n2nc(-c3cccc(Cl)c3)c(C)c2n1 40216742 QJBSRHASBMHXBH-UHFFFAOYSA-N 328.847 4.734 0 40 EJAB CSc1ccc(NC(=O)Nc2cccc(Br)c2)cc1 51354384 JUTZGKFBZGZCTF-UHFFFAOYSA-N 337.242 4.815 0 40 EJAB COc1ccc(Cc2nnc(S[C@@H](C)c3cccc(F)c3)o2)cc1 57467565 GJPQIJYWOAMYAE-LBPRGKRZSA-N 344.411 4.661 0 40 EJAB CCCCc1noc([C@@H](C)Sc2nc3ccccc3n2CC)n1 58656280 KXRSCMIGPRAAFC-GFCCVEGCSA-N 330.457 4.635 0 40 EJAB Cc1c(C(=O)C(F)(F)F)c2ccccc2n1Cc1ccc(F)cc1 59109449 JFMMJDYBPRSIRN-UHFFFAOYSA-N 335.300 4.882 0 40 EJAB CC(C)Oc1cccc(CCCNC(=O)Nc2cccc(Cl)c2)c1 222630045 QEKITJJDQDWKHA-UHFFFAOYSA-N 346.858 4.882 0 40 EJAB CCc1ccc(CC)c(CNC(=O)CSCc2cccc(C)c2)c1 222921773 XNWIUKKFAUQOJN-UHFFFAOYSA-N 341.520 4.669 0 40 EJAB Cc1cc(C)c(C[C@@H](Oc2ccccc2C(C)(C)C)C(=O)O)c(C)c1 225136128 AMYZYQZUIXPHTJ-HXUWFJFHSA-N 340.463 4.984 0 40 EJAB CCCCOc1ccc(NC(=O)C2(OCCC)CCCCCC2)cn1 225910046 LLPLGYPOTPSIGI-UHFFFAOYSA-N 348.487 4.719 0 40 EJAB CCc1cc(Br)cc(C)c1NC(=O)c1ccc(OC)cc1 226092785 DKFPHHWEXZDLCU-UHFFFAOYSA-N 348.240 4.581 0 40 EJAB Cc1ccc(OCCCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 244213158 VVKPKBIGKCZKFB-UHFFFAOYSA-N 337.341 4.812 0 40 EJAB CC(C)c1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccccc2)cc1 1621999699 SZMOKJZVGSXIGQ-FQEVSTJZSA-N 343.492 4.726 0 40 EJAB CC(C)(C)OC(=O)NC1(c2ccc(Br)c(Cl)c2)CC1 1775967671 CQVWQBNAFWBGHL-UHFFFAOYSA-N 346.652 4.616 0 40 EJAB COc1ccc(-c2nc3ccc(C)cn3c2NC(C)(C)C)cc1OC 411146 IZZVHZXDYYFMRE-UHFFFAOYSA-N 339.439 4.537 0 40 EJAB Cc1cc(C(=O)Nc2ccc(C)c(Cl)c2)c2cc(F)ccc2n1 920333 MSYSUBXRPUGVCX-UHFFFAOYSA-N 328.774 4.896 0 40 EJAB O=C(Nc1ccccc1OC(F)F)c1cccc(C(F)(F)F)c1 3327033 WHXJBEDCGRUVTF-UHFFFAOYSA-N 331.240 4.559 0 40 EJAB O=C(Cc1cccc2ccccc12)Nc1nc2c(F)cccc2s1 4331595 VHMYDVIKMZFOAR-UHFFFAOYSA-N 336.391 4.770 0 40 EJAB COc1cccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@H]3[C@H]4CC[C@H](C4)[C@H]32)c1 4622523 GAHFOJIJYCNZSE-GITVRXCZSA-N 349.430 4.690 0 40 EJAB O=C1N(Cc2ccccc2)C[C@H]2CCc3c(ccc4ccccc34)N12 4994321 UDWATOXQUUJYOF-GOSISDBHSA-N 328.415 4.597 0 40 EJAB COc1cc(CNCC(C)C)cc(Cl)c1OCc1cccs1 6883546 SUEWHZJGXUFVDZ-UHFFFAOYSA-N 339.888 4.735 0 40 EJAB Cc1cccc(OCCCn2c([C@H]3CCCO3)nc3ccccc32)c1 7425457 LJMOIGOMMBBYRZ-HXUWFJFHSA-N 336.435 4.665 0 40 EJAB Clc1ccccc1COc1ccccc1CNCc1ccco1 7523578 ISOWTLIZWPJWFE-UHFFFAOYSA-N 327.811 4.802 0 40 EJAB Cc1ccc(C(=O)N2CCc3sccc3[C@@H]2c2cccs2)cc1 7947038 GLWCBQUXXACFSB-GOSISDBHSA-N 339.485 4.906 0 40 EJAB O=C(Nc1ccccc1)N[C@H](c1ccc(F)cc1)c1cccs1 7990757 BUINAGFYUDODKM-QGZVFWFLSA-N 326.396 4.798 0 40 EJAB Cc1cccc(Oc2ccc(Cl)cc2NC(=O)[C@H]2CCCO2)c1 8040009 MHLCWROIGNHZLO-QGZVFWFLSA-N 331.799 4.558 0 40 EJAB COc1ccccc1CNc1ncnc2scc(-c3ccccc3)c12 8403209 GRRXCVBVTWUVME-UHFFFAOYSA-N 347.443 4.979 0 40 EJAB C[C@H]1Cc2ccccc2N1C(=O)/C(=C/c1ccco1)c1ccccc1 10449665 SCGPGWKJRGWJIM-WLVMFVESSA-N 329.399 4.798 0 40 EJAB CCC[C@H](O)c1nc2ccccc2n1CCCOc1ccc(C)cc1 11692509 GOVKXLZYSHFCQM-FQEVSTJZSA-N 338.451 4.647 0 40 EJAB c1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)cc1 12194994 PPEFRUATYSNLBV-YLJYHZDGSA-N 332.428 4.990 0 40 EJAB Cc1ccc(-c2csc(NC(=O)c3cc4c(s3)CCC4)n2)cc1 12598829 CGCLUBIJECTSJO-UHFFFAOYSA-N 340.473 4.921 0 40 EJAB Cc1noc(C)c1COc1ccc(C(=O)c2ccc(Cl)cc2)cc1 12798380 RVTKTHPTVDBICT-UHFFFAOYSA-N 341.794 4.755 0 40 EJAB Cc1cccc(-n2ncc(C(=O)Nc3ccc(Cl)cc3C)c2C)c1 12822702 XXORCWJKDFXUGX-UHFFFAOYSA-N 339.826 4.703 0 40 EJAB CCOc1ccccc1NC(=O)[C@H](C)Oc1cccc2ccccc12 13708909 ILOZNNKHVJSSFE-HNNXBMFYSA-N 335.403 4.645 0 40 EJAB CC(C)(C)[C@@H]1CCc2c(sc3c2[C@H](c2cccnc2)CC(=O)N3)C1 15106477 YRKWTXYCIYWYJZ-HIFRSBDPSA-N 340.492 4.768 0 40 EJAB Cc1ccc2c(C)c(C(=O)Nc3nc4c(s3)C[C@@H](C)CC4)oc2c1 15833215 QQVCMFQWOUIUAW-NSHDSACASA-N 340.448 4.883 0 40 EJAB COc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(CC(C)C)=NN23)cc1 15906164 KZUTWIGUSKKYDZ-CTNGQTDRSA-N 336.435 4.935 0 40 EJAB CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)Cc1c(F)cccc1Cl 20337785 LSVPVYMPCCZPIV-CJNGLKHVSA-N 325.855 4.743 0 40 EJAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N[C@H](C)c1cc(C)ccc1C 20452633 LDSVUGXKCNMUGV-UYAOXDASSA-N 339.479 4.955 0 40 EJAB O=C(c1ccc(Cl)cc1)N1CCCC[C@@H]1CCN1CCCCCC1 21170755 AFAOPCUFJGIYBO-LJQANCHMSA-N 348.918 4.601 0 40 EJAB CCc1ccc(Nc2ncnc3c2cnn3-c2ccc(C)c(C)c2)cc1 22628090 YDJLUNDAYYTRKT-UHFFFAOYSA-N 343.434 4.738 0 40 EJAB CCCCCOc1ccc([C@@H](C)NC(=O)c2ccoc2C)cc1OC 40121749 VERQVVZFVRJGOQ-CQSZACIVSA-N 345.439 4.657 0 40 EJAB CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ccc(C(F)(F)F)cc2)C1 40448234 NSOAWCGGUDAFMR-CQSZACIVSA-N 344.377 4.517 0 40 EJAB O=C(NCc1cc2ccccc2[nH]1)c1ccccc1Cc1ccccc1 58903382 LERKJNKNFIPTCR-UHFFFAOYSA-N 340.426 4.689 0 40 EJAB Clc1ccc(OCc2nnc(Cc3ccccc3)o2)c(Cl)c1 62663856 IRFYXALZHVMVGR-UHFFFAOYSA-N 335.190 4.546 0 40 EJAB O=[S@@](Cc1cc(-c2ccccc2)on1)Cc1c(F)cccc1Cl 69817360 VGYLVXFAIXWACY-HSZRJFAPSA-N 349.814 4.583 0 40 EJAB CCCN(CC)C(=O)c1cc2c(c3ccccc3n2C(C)C)n1C 96146409 AMFWWCUSXWHXFB-UHFFFAOYSA-N 325.456 4.586 0 40 EJAB CC[C@@H](NC(=O)COc1ccccc1Cl)c1ccc(C)cc1C 218851123 QXNAGUDFVZEPDB-QGZVFWFLSA-N 331.843 4.603 0 40 EJAB CC[C@@H](Oc1ccccc1F)C(=O)N[C@H](CC(C)C)c1ccccc1 219577997 UQCHUGOKJRNURH-RTBURBONSA-N 343.442 4.887 0 40 EJAB CC[C@H](Oc1ccccc1)C(=O)N[C@@H](CC)c1ccc(C)c(C)c1 222867726 JWCLMVPCIYJKAB-PMACEKPBSA-N 325.452 4.728 0 40 EJAB C[C@@H](NC(=S)Nc1ccc(Cl)cc1)c1ccc2c(c1)CCC2 223257597 OSZBNAWDAGUGLM-GFCCVEGCSA-N 330.884 4.876 0 40 EJAB CCOc1ccc(C(=O)Nc2c(C)cccc2C)cc1COC(C)C 224714796 BHKVTPORRGGPRP-UHFFFAOYSA-N 341.451 4.879 0 40 EJAB CCc1ccc(CC)c(CNC(=O)CSc2ccc(Cl)cc2)c1 225739567 CBXIMBZISGGWCY-UHFFFAOYSA-N 347.911 4.873 0 40 EJAB CCOc1cc(/C=C/C(=O)Nc2ccc(C(C)C)cc2)ccc1OC 408602996 PNAHDKNDDOYZDC-NTUHNPAUSA-N 339.435 4.869 0 40 EJAB Cc1cc(NC(=O)Nc2ccc(C3CC3)cc2)nn1-c1ccccc1 1562559715 UYXQBALXTWGFCM-UHFFFAOYSA-N 332.407 4.702 0 40 EJAB CCN(CC)c1cc2oc(=O)c(-c3nc4ccccc4o3)cc2cc1C 1857524196 OYQNORRYAWXDHW-UHFFFAOYSA-N 348.402 4.756 0 40 EJAB O=C(NCC1(c2ccsc2)CC1)C(c1ccccc1)c1ccccc1 1889298691 UYTNUJVELRPAGF-UHFFFAOYSA-N 347.483 4.728 0 40 EJAB Cc1[nH]c2ccccc2c1-c1csc(NC(=O)Cc2ccccc2)n1 563277 GZQOSUQDQSJNKA-UHFFFAOYSA-N 347.443 4.781 0 40 EJAB Cc1cc(C)c(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1C 571060 ZUTQBUQRXQAHRY-UHFFFAOYSA-N 344.263 4.719 0 40 EJAB O=C(CC(CC(=O)c1ccccc1)c1ccncc1)c1ccccc1 1587592 KVWZIGDMLLZZQL-UHFFFAOYSA-N 329.399 4.711 0 40 EJAB CCOc1ccc2c(=O)c(-c3c(F)cccc3Cl)c(C)oc2c1 3221560 CEUDYAYSGSWSIN-UHFFFAOYSA-N 332.758 4.960 0 40 EJAB CCCC(=O)Nc1c(C(=O)Nc2ccc(F)cc2)oc2ccccc12 4162539 PCJANQPFWUDDQS-UHFFFAOYSA-N 340.354 4.563 0 40 EJAB Cc1cccc(OCC(=O)Nc2ccccc2Oc2ccccc2)c1 5796101 HAUCNAIXCCVRJN-UHFFFAOYSA-N 333.387 4.805 0 40 EJAB C[C@H](SC12CC3CC(CC(C3)C1)C2)C(=O)Nc1cccc(F)c1 7418624 NPEAHAPVNKHACN-UHSVVUDUSA-N 333.472 4.855 0 40 EJAB O=C(CSc1ccccc1F)Nc1ccccc1SC(F)F 7606344 CWAQPOBYEPSSSM-UHFFFAOYSA-N 343.395 4.871 0 40 EJAB Fc1ccc(-c2cc3ncnc(N4CCCCCC4)c3s2)cc1 7986368 FGSADGCARSAKFK-UHFFFAOYSA-N 327.428 4.878 0 40 EJAB Cc1ccc2c(NC(=O)COc3ccc(Cl)c(C)c3)cccc2n1 8072073 SWHLTZZXEQJKRR-UHFFFAOYSA-N 340.810 4.523 0 40 EJAB CCNCc1cccc(OC)c1OCc1ccc(Cl)cc1Cl 8227309 AAWRMQJOTWLKIB-UHFFFAOYSA-N 340.250 4.691 0 40 EJAB COc1cc(CNC2CCCCC2)ccc1OCc1ccc(F)cc1 8471557 VYJLZFDBFJVQHS-UHFFFAOYSA-N 343.442 4.836 0 40 EJAB CCc1cccc(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)c1 12866361 CLYKLGJFPIEHAQ-UHFFFAOYSA-N 348.450 4.704 0 40 EJAB Cc1nc2cc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3C)ccc2o1 12948814 JPFSQXAXYNCUCK-NSHDSACASA-N 344.798 4.504 0 40 EJAB CN(Cc1cccc(Cl)c1)C(=O)c1csc(-c2ccccc2)n1 13006842 AYABHYPQKMCDLW-UHFFFAOYSA-N 342.851 4.736 0 40 EJAB Cc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccncc4)=NN32)cc1 13653960 QMCSZZALGFYYNJ-IFMALSPDSA-N 341.414 4.632 0 40 EJAB CCc1ccc2nc(NC(=O)c3ccc(F)cc3Cl)sc2c1 14794446 PBUALOHEGUINJC-UHFFFAOYSA-N 334.803 4.904 0 40 EJAB O=C1CCc2cc(-c3csc(Nc4ccc(F)cc4)n3)ccc2N1 16941456 DTQBPFUMRCWBGJ-UHFFFAOYSA-N 339.395 4.578 0 40 EJAB CCc1cc(=O)oc2c(C)c3c(cc12)CN([C@H](C)c1ccccc1)CO3 20609844 WWJFFTLQBPNILR-OAHLLOKOSA-N 349.430 4.577 0 40 EJAB biogenic O=S(=O)(Nc1cccc2ccccc12)C1=Cc2ccccc2CC1 24067431 GTVFCUFVFLJUDG-UHFFFAOYSA-N 335.428 4.569 0 40 EJAB CC[C@H](NC(=O)CSCc1ccc(OC)cc1)c1ccc(C)cc1 38771858 RIVTUFXKLSWORL-IBGZPJMESA-N 343.492 4.504 0 40 EJAB Cc1ccc2oc([C@H]3CCN(Cc4cnc5ccccc5c4)C3)nc2c1 49168833 YQWSEHBOTRWGLU-SFHVURJKSA-N 343.430 4.674 0 40 EJAB biogenic,in-vitro O=C(c1ccc(Cl)o1)N1CCC[C@H]1Cc1cccc2ccccc12 61530679 UJLAAZWAAHKWDJ-INIZCTEOSA-N 339.822 4.934 0 40 EJAB O=[S@@](Cc1cc(-c2ccccc2)on1)Cc1cccc2ccccc12 75495509 VDMRCRXYGZFBOD-VWLOTQADSA-N 347.439 4.944 0 40 EJAB O=C(c1ccnc(Cl)c1)N(CCc1ccc(F)cc1)C1CCCC1 78282084 XNVKBJRNQVWHOT-UHFFFAOYSA-N 346.833 4.502 0 40 EJAB CCc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2)cc1 78458006 VWNTWPSSXDJYTA-IAGOWNOFSA-N 325.452 4.511 0 40 EJAB CC(=O)C(C(C)=O)[C@H](Sc1ccc(Cl)cc1)c1ccccc1 101403612 CPXUSZXPSRKMHS-GOSISDBHSA-N 332.852 4.968 0 40 EJAB O=C(Nc1ncc(Cc2cccc(Cl)c2)s1)[C@@H]1C[C@H]2CC[C@H]1C2 106523711 VMZPTHNJRVLYJU-HEHGZKQESA-N 346.883 4.762 0 40 EJAB CC[C@H](NC(=O)COc1cccc(Cl)c1)c1ccc(C)c(C)c1 222771438 HKBAHRDXDRQBSA-SFHVURJKSA-N 331.843 4.603 0 40 EJAB COc1c(C)cc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1C 225521522 MUTSOUUUBSZDNY-UHFFFAOYSA-N 341.426 4.902 0 40 EJAB O=C(Nc1ccccc1OC(F)F)c1ccc(Cl)cc1Cl 557801 GAFGHKQVSOJMTM-UHFFFAOYSA-N 332.133 4.847 0 40 EJAB CCOc1ccccc1NC(=O)CSCc1cccc(Cl)c1 1290521 FNOGTQLZYYQQRI-UHFFFAOYSA-N 335.856 4.611 0 40 EJAB CC(=O)N(CC(C)C)c1nnc(-c2ccc(C(C)(C)C)cc2)s1 1356424 QKJPGEBNXZIXOM-UHFFFAOYSA-N 331.485 4.512 0 40 EJAB COC(=O)c1ccccc1NC(=O)N(c1ccccc1)c1ccccc1 1739101 XKLQUTHQNFHXEN-UHFFFAOYSA-N 346.386 4.843 0 40 EJAB CCCC[C@H](NC(C)=O)c1nc2ccccc2n1Cc1ccccc1C 1927005 CTDXJNAULXXMRZ-FQEVSTJZSA-N 349.478 4.760 0 40 EJAB O=C(/C=C/c1cccc(Br)c1)Nc1ccc(Cl)cc1 2534674 UJHOYCOPXBQRMY-RUDMXATFSA-N 336.616 4.754 0 40 EJAB CCSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1 3291859 CSZNKQCGNJHSPS-UHFFFAOYSA-N 329.856 4.759 0 40 EJAB Cc1ccc(SCC(=O)Nc2nc(-c3cccs3)cs2)cc1 3378581 WOXKCVLAGPLJQU-UHFFFAOYSA-N 346.502 4.911 0 40 EJAB CCc1cccc(NC(=O)CSc2nc3ccccc3s2)c1 3503840 ZFMLZVAKCIMTBF-UHFFFAOYSA-N 328.462 4.590 0 40 EJAB Cc1nc2ccc(NC(=O)CCSc3ccc(F)cc3)cc2s1 4496803 KNGHDFBFAVXGSV-UHFFFAOYSA-N 346.452 4.865 0 40 EJAB COc1ccccc1CNC(=O)/C(=C\c1ccccc1)c1ccccc1 6470788 GFGPRRPZCFAYAC-PGMHBOJBSA-N 343.426 4.552 0 40 EJAB Cc1ccc(CSCC(=O)Nc2ccccc2C(F)(F)F)cc1 7094409 CUAJKVRELZPPBP-UHFFFAOYSA-N 339.382 4.886 0 40 EJAB Cc1c(C(=O)NCCCc2ccccc2)oc2c(Cl)cccc12 7736904 CXCQRMMPMILPPC-UHFFFAOYSA-N 327.811 4.757 0 40 EJAB Cc1nc(-c2ccsc2)sc1C(=O)Nc1ccc(F)c(F)c1 7953306 ZHXXJERCCVUFNI-UHFFFAOYSA-N 336.388 4.711 0 40 EJAB Cc1cccc(N(CC(=O)c2ccc(C)cc2C)C2=NCCCC2)c1 8414566 WIMRNBFVNFUGQO-UHFFFAOYSA-N 334.463 4.884 0 40 EJAB O=C(Nc1nnc(-c2ccccc2)s1)c1cccc2ccccc12 8790852 BIPIGCUUYUMATN-UHFFFAOYSA-N 331.400 4.611 0 40 EJAB O=C(CSc1nnc(C2CC2)n1C1CC1)c1ccc2ccccc2c1 9548149 RSGOZCXDMFHTBS-UHFFFAOYSA-N 349.459 4.619 0 40 EJAB Cc1nc2cc(NC(=O)c3occc3COc3ccccc3)ccc2o1 9709858 BUFXNAAGYOGWIK-UHFFFAOYSA-N 348.358 4.561 0 40 EJAB O=C(Nc1ccc(N2CCCC2)cc1)C1(c2ccccc2)CCCC1 12651788 KSNGMRYNZOEUJM-UHFFFAOYSA-N 334.463 4.737 0 40 EJAB Cc1ccsc1C(=O)N1CCC[C@H](c2cc3ccccc3cn2)C1 19238555 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S=C1O[C@]2(C[C@@H]3CC[C@H]4CC[C@H]2[C@H]43)[C@@]2(C[C@@H]3CC[C@H]4CC[C@H]2[C@H]43)O1 71785667 LVXICQLAEIUOJT-JVRAMUTBSA-N 344.520 4.708 0 40 EJAB CCc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2cc(C)cc(C)c2)cc1 78458017 VWNTWPSSXDJYTA-SJORKVTESA-N 325.452 4.511 0 40 EJAB COc1ccc(CNCc2ccc(-c3cccs3)cc2F)cc1F 83953175 UXNFUZISMBANHP-UHFFFAOYSA-N 345.414 4.992 0 40 EJAB Cc1ccc(NNC(=O)c2ccc(OC3CCCC3)cc2)cc1Cl 84183079 FRTPWLFUAJKSBE-UHFFFAOYSA-N 344.842 4.727 0 40 EJAB COc1cccc2cc([C@H](C)N[C@H](C)c3cnn(C(C)C)c3)oc12 95419643 UZSGHLDVSSPDNI-KGLIPLIRSA-N 327.428 4.631 0 40 EJAB Clc1ccc2oc(-c3ccccc3)c/c(=N/c3nncs3)c2c1 103300565 ZNIADVBSRUNWHF-ZHZULCJRSA-N 339.807 4.837 0 40 EJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1cccc(C)c1 216230877 WYCXUEJLWBMVSL-QGZVFWFLSA-N 333.884 4.836 0 40 EJAB CCC1(CC)C[C@@H](NC(=O)Cc2ccc(F)cc2)c2ccccc2O1 222601760 UKNRWVJQTRRENP-GOSISDBHSA-N 341.426 4.567 0 40 EJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(C)c(C)c1 223051333 HIEAHDPEYVYYNU-NRFANRHFSA-N 337.463 4.978 0 40 EJAB CC[C@@H](Oc1ccc(C)cc1)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 223227801 SCHWGUJJYQKXLD-IIBYNOLFSA-N 337.463 4.519 0 40 EJAB COc1ccccc1C(=O)N[C@H](C)c1cc(C(C)C)c(OC)cc1C 223272642 SADCLRBBUONDGK-OAHLLOKOSA-N 341.451 4.627 0 40 EJAB CCCCOc1c(C)cc(NC(=O)C2(OCC)CCCC2)cc1C 225707910 DXLCTYWJMZKBDV-UHFFFAOYSA-N 333.472 4.770 0 40 EJAB Cc1ccc([C@@H](NC(=S)Nc2ncccc2C)C(C)C)c(C)c1 225766334 VEEIYGQGJSDFEO-KRWDZBQOSA-N 327.497 4.691 0 40 EJAB Cc1ccc(C)c(-n2ncc(N[C@H](C)c3cn4ccccc4n3)c2C)c1 547727786 VMTZOPVUZFSLSN-MRXNPFEDSA-N 345.450 4.618 0 40 EJAB CCC(CC)C(=O)c1ccc(Br)cc1OC(F)(F)F 575362621 LGXLOUYQCIPBJG-UHFFFAOYSA-N 339.151 4.967 0 40 EJAB COC(=O)c1ccc(CNc2ccc(Cc3ccccc3)cc2)cc1 585090224 OITQXZPBRPWRBH-UHFFFAOYSA-N 331.415 4.676 0 40 EJAB O=c1c2c3c(sc2[nH]c(=S)n1C1CCCCC1)CCCCC3 1249240 UNIIZBKFKMCNFN-UHFFFAOYSA-N 334.510 4.895 0 40 EJAB CCN(Cc1ccccc1)C(=O)C1c2ccccc2Oc2ccccc21 2309972 PYUSWQMMAPPEKI-UHFFFAOYSA-N 343.426 4.973 0 40 EJAB CN(c1nc(-c2ccccc2O)nc2ccccc12)C1CCCCC1 2394928 DULCULVGDZWBJI-UHFFFAOYSA-N 333.435 4.771 0 40 EJAB O=C(Cc1cccc2ccccc12)Nc1nc(-c2cccnc2)cs1 2653904 AXRZZOXLKQSIST-UHFFFAOYSA-N 345.427 4.540 0 40 EJAB COc1cccc(-c2noc(CSc3ccc4ccccc4n3)n2)c1 5626793 YQDSXEBUIUTQDM-UHFFFAOYSA-N 349.415 4.586 0 40 EJAB Cc1cccc(C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)c1C 6219576 IBXKRSYCYZYDBN-UHFFFAOYSA-N 344.386 4.957 0 40 EJAB CC(C)[C@@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1ccccc1 7924305 DOGJVIWQJVENEH-GOSISDBHSA-N 335.369 4.761 0 40 EJAB O=C(O)C/C(=C\c1cccc(C(F)(F)F)c1)c1nc2ccccc2o1 8429303 VNOFISKYNVRSLE-XYOKQWHBSA-N 347.292 4.862 0 40 EJAB Cc1ccn(S(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)n1 9061895 RHPSYSZPNRAUDC-UHFFFAOYSA-N 348.512 4.799 0 40 EJAB C[C@@H](N[C@H](c1ccccc1)C1CC1)C(=O)Nc1ccc(F)c(Cl)c1 12676807 YOIFKBVZIUEIIB-KZULUSFZSA-N 346.833 4.547 0 40 EJAB COc1ccc(C)cc1NC(=O)[C@H](C)Oc1cccc2ccccc12 13709072 NTVYGUNNVQPNEX-HNNXBMFYSA-N 335.403 4.563 0 40 EJAB COc1ccc2cc([C@@H](C)C(=O)N[C@@H](C)c3ccccc3)ccc2c1 14171739 KAGMPABCTWFXKG-CVEARBPZSA-N 333.431 4.829 0 40 EJAB CCCc1nnc(-c2cc3ccccc3n2Cc2cccc(F)c2)o1 17287300 GYMYAFOJWXJWMO-UHFFFAOYSA-N 335.382 4.831 0 40 EJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H](C)c1cc(C)ccc1C 20111469 NEKYQXJZNLRBQD-WIYYLYMNSA-N 339.479 4.955 0 40 EJAB C[C@@H](NC(=O)Cc1cc(-c2cc3ccccc3o2)on1)c1ccccc1 23127269 KRQZNQJWFQNMTI-CQSZACIVSA-N 346.386 4.508 0 40 EJAB CCN(Cc1cccs1)C(=O)c1cc2cc(Cl)ccc2nc1C 25760761 YRJIKZODYQLANC-UHFFFAOYSA-N 344.867 4.920 0 40 EJAB CNCc1ccc(Br)cc1Oc1cccc(Cl)c1 34664677 VFHGRQVRODJHMO-UHFFFAOYSA-N 326.621 4.614 0 40 EJAB CCC[C@H](C)NC(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 58202078 YAMUSHNWZGBBAG-CDASLUBFSA-N 325.496 4.829 0 40 EJAB COc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCCC2)cc1 60163189 DARPMLYRLLDQCS-UHFFFAOYSA-N 339.435 4.544 0 40 EJAB COc1cccc(CN(C)C(=O)C2(c3cccs3)CCCCC2)c1 72291280 BIARGALTINKMDW-UHFFFAOYSA-N 343.492 4.617 0 40 EJAB CC(C)c1ccc(NC(=O)c2cc(OCc3ccccc3)no2)cc1 85558514 CSZVUKSSCMKNRM-UHFFFAOYSA-N 336.391 4.629 0 40 EJAB CN(Cc1c(F)cccc1Cl)C(=O)CCc1ccc2[nH]ccc2c1 95462886 KNGGLKSXATZNQQ-UHFFFAOYSA-N 344.817 4.552 0 40 EJAB Cc1ccccc1[C@H]1CCN(C(=O)c2ccc(Cl)cc2)CCS1 219275678 MEVVNPOSTHFNOZ-GOSISDBHSA-N 345.895 4.969 0 40 EJAB Cc1cc(C)c([C@H](C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1C 223441657 PJHPXLPLMADSTO-HOTGVXAUSA-N 345.870 4.910 0 40 EJAB CC(C)c1ccccc1OCCNC(=O)Nc1cccc(Cl)c1 223826911 VRUFQLVONIFWJY-UHFFFAOYSA-N 332.831 4.664 0 40 EJAB Cc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2 224195397 IQIFGNHMMHAXGR-AWEZNQCLSA-N 343.854 4.933 0 40 EJAB CCOc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1COC(C)C 224713877 BZAXDEJZOPCZGH-INIZCTEOSA-N 341.451 4.501 0 40 EJAB O=C(O)[C@@H](Cc1ccc(Cl)c(Cl)c1)Oc1cccc(Cl)c1 225087829 CVDPVKMXTPFLMI-CQSZACIVSA-N 345.609 4.722 0 40 EJAB S=C(NCCCSCc1ccco1)Nc1ccccc1Cl 225592791 MGJDIMIKEDDQBL-UHFFFAOYSA-N 340.901 4.543 0 40 EJAB CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OC2CCCC2)cc1 225737750 CUAFRTRTOVWSAM-FQEVSTJZSA-N 333.472 4.932 0 40 EJAB O=C(Nc1ccc2oc(-c3ccncc3)nc2c1)c1ccc(Cl)cc1 77608 ASAISQWXXXYWFL-UHFFFAOYSA-N 349.777 4.796 0 40 EJAB COc1ccc(OC)c2c(C(=O)O)c([C@@H](C)c3ccccc3)ccc12 1618246 OUSUNIIAWDSDOD-ZDUSSCGKSA-N 336.387 4.707 0 40 EJAB COc1ccc(CNCC[C@@H](c2ccc(OC)cc2)C(C)C)cc1 1825405 WNFVLBAWTDPPDE-OAQYLSRUSA-N 327.468 4.623 0 40 EJAB biogenic O=C(c1ccc(Cl)c(Cl)c1)N(c1ccccn1)c1ccccn1 3169007 CNQHHXZSCGPHQM-UHFFFAOYSA-N 344.201 4.762 0 40 EJAB Cc1cccc(NC(=S)N(C)Cc2ccc(C(F)(F)F)cc2)c1 3338592 VFGBKKLOKKZWRQ-UHFFFAOYSA-N 338.398 4.843 0 40 EJAB Cc1ccc(CN2C(=O)S/C(=C/c3ccccc3Cl)C2=O)cc1 4669015 LYGFVHZOGXTPAA-MHWRWJLKSA-N 343.835 4.885 0 40 EJAB Cc1cc(Cl)cc(C)c1OCC(=O)N[C@H]1CCCc2ccccc21 6602578 MRNBNPDCDBSQKU-SFHVURJKSA-N 343.854 4.529 0 40 EJAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2ccccc2Cl)c1C 7457624 LAQDBRPHQVSMFK-GFCCVEGCSA-N 335.856 4.851 0 40 EJAB C[C@@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)c1ccccc1 9052950 CMZCHAYVRDJCHW-CQSZACIVSA-N 347.443 4.578 0 40 EJAB COc1ccccc1-c1nnc(SCc2cccc(Cl)c2)o1 12177391 IKWLCJJZOMHNQQ-UHFFFAOYSA-N 332.812 4.691 0 40 EJAB O=C(Nc1cccc(C(F)(F)F)c1)N1CC[C@H]2CCCC[C@@H]2C1 16399326 SNQOWJOMZKTFDQ-CHWSQXEVSA-N 326.362 4.749 0 40 EJAB CC(C)(C)c1ccc(C(=O)Nc2ccc(-c3ccc(CO)o3)cc2)cc1 20137697 QLZMAGFFLRAWCL-UHFFFAOYSA-N 349.430 4.989 0 40 EJAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCCSC1CCCCC1 20485549 BXMAARZOEXPWJJ-SFHVURJKSA-N 349.540 4.643 0 40 EJAB Cc1ccc(Nc2nn(-c3ccc(F)cc3)c3c2C(=O)C[C@@H](C)C3)cc1 20672188 YCHIPILFMCAPQT-AWEZNQCLSA-N 349.409 4.828 0 40 EJAB CC[C@H](NC(=O)CCCOc1ccc(Cl)cc1)c1ccccc1 22511775 GPGAIMRULAGSFS-SFHVURJKSA-N 331.843 4.767 0 40 EJAB Cc1ccsc1CN(C)C(=O)c1ccccc1C(=O)c1ccccc1 32721338 XDFFKYFLQRLIMS-UHFFFAOYSA-N 349.455 4.560 0 40 EJAB C[C@@H](N[C@H]1CCc2ccccc21)C(=O)Nc1ccc(Cl)cc1Cl 32851132 DCEXNQQVSQZKPR-BZNIZROVSA-N 349.261 4.598 0 40 EJAB COc1cccc([C@@H]2CN(C(=O)OC(C)(C)C)c3ccccc3N2)c1 35572151 HAUHPUFGSJIAJK-KRWDZBQOSA-N 340.423 4.604 0 40 EJAB Cn1c(C(=O)Nc2ccc(OCc3ccccc3)cc2)cc2occc21 36360289 AHSFEMYNXMXWGK-UHFFFAOYSA-N 346.386 4.603 0 40 EJAB COc1ccc([C@H](NC(=O)c2sccc2C)c2ccccc2)cc1 69708792 MZHVMRABOZOTAK-GOSISDBHSA-N 337.444 4.585 0 40 EJAB Cc1nn(-c2ccc3ccccc3c2)c(O)c1Cc1cccc(F)c1 101016159 KHWAZBWTDZDGMU-UHFFFAOYSA-N 332.378 4.769 0 40 EJAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CCCc1ncc(-c2ccccc2)o1 107088693 LTWZWGOPYMTSPH-SOLBZPMBSA-N 340.467 4.605 0 40 EJAB CCOC(=O)/C=C/c1ccc(OCc2ccccc2Cl)c(OC)c1 216892239 GPCPSMWVIZABDX-PKNBQFBNSA-N 346.810 4.504 0 40 EJAB CCN(Cc1ccccc1)C(=O)CCc1ccc(Cl)cc1Cl 225379996 CQFOBHRSXRAUOQ-UHFFFAOYSA-N 336.262 4.975 0 40 EJAB CCOC(=O)c1ccc(C)c(NC(=S)NC2CCCCCCC2)c1 225517809 PXSAYPVQHBLALN-UHFFFAOYSA-N 348.512 4.571 0 40 EJAB CCCC[C@](C)(OC)C(=O)Nc1ccc(OCC)c2ccccc12 225801005 LGVMERDVLVYPKF-FQEVSTJZSA-N 329.440 4.772 0 40 EJAB CC[C@]1(O)CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](CC[C@H]4O)[C@@H]3CC[C@@]2(C)C1 253617416 LGGIZFYVYSKSFW-VQWNRFBZSA-N 334.544 4.921 0 40 EJAB CCO[C@]1(C(=O)Nc2ccc(O[C@H](C)CC)cc2)CCC[C@H](C)C1 260812337 AONLKXUKUSKWCL-RZQQEMMASA-N 333.472 4.788 0 40 EJAB CCCOc1ccc(/C=C/C(=O)Nc2ccc(F)cc2)cc1OCC 408566997 JTPHSHYHJJXYBM-WUXMJOGZSA-N 343.398 4.665 0 40 EJAB COC(C)(C)c1ccc2c(c1)CC[C@@H]1[C@@](C)(C(=O)O)CCC[C@@]21C 1077997746 QBAITYMIZWFOLG-YYWHXJBOSA-N 330.468 4.663 0 40 EJAB biogenic CCc1ccc(-c2csc(NC(=O)c3ccc(OC)cc3)n2)cc1 567894 GANICKTYAUEHMS-UHFFFAOYSA-N 338.432 4.633 0 40 EJAB O=C(Cc1ccccc1Br)c1ccc(C(F)(F)F)cc1 2393031 NVRAWMKYYCBNQW-UHFFFAOYSA-N 343.142 4.893 0 40 EJAB Cc1sc(NC(=O)c2ccccc2)c(CN2CCCCC2)c1C 4305827 IZGAOSRJAJPUIV-UHFFFAOYSA-N 328.481 4.603 0 40 EJAB O=C(c1cccc(Cl)c1)N1N=C(c2ccco2)C[C@@H]1c1ccco1 4306615 JZCSLLGLDZHABT-OAHLLOKOSA-N 340.766 4.518 0 40 EJAB COc1cccc2c1CCC1=C2CC=C2CC3(CC[C@]21C)OCCO3 5103731 NXXWVWMIAAZIPB-OAQYLSRUSA-N 338.447 4.658 0 40 EJAB O=C(Cc1csc(-c2ccccc2Cl)n1)Nc1ccc(F)cc1 5403577 CESWFFDSMCBXTF-UHFFFAOYSA-N 346.814 4.784 0 40 EJAB CCCc1cc(-c2nc(-c3cc(OC)ccc3OC)cs2)ccn1 5427246 ZUIQUFXBDOQVRC-UHFFFAOYSA-N 340.448 4.842 0 40 EJAB C[C@@H](NC(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1 5559218 VBUROEUBYDBNPA-SNVBAGLBSA-N 338.632 4.594 0 40 EJAB COc1cc(NC(=O)c2ccccc2Oc2ccccc2)cc(OC)c1 6600175 UEVXOQJPMGBQAR-UHFFFAOYSA-N 349.386 4.748 0 40 EJAB Cc1nc(SCCCC(=O)c2cccs2)c2ccccc2n1 7719494 NDIDGNNBVKWKRJ-UHFFFAOYSA-N 328.462 4.755 0 40 EJAB CCN(CC)Cc1c(C)nc2ccc(Oc3ccccc3)cc2c1O 8572506 GPZMSQBQRXYCJC-UHFFFAOYSA-N 336.435 4.883 0 40 EJAB O=C(NCC1(c2ccccc2)CC1)c1ccc(-c2ccc(F)cc2)o1 9054491 TXVQQLRXKSQTKK-UHFFFAOYSA-N 335.378 4.547 0 40 EJAB Fc1ccc(CNc2ncc(-c3ccncc3)c(-c3ccoc3)n2)cc1 12667946 NTKBSRXXEWAQFT-UHFFFAOYSA-N 346.365 4.550 0 40 EJAB COc1ccccc1Oc1nc2c(Cl)c(C)nn2c2ccccc12 12814583 LWFXHKKTFVMQCL-UHFFFAOYSA-N 339.782 4.645 0 40 EJAB CC(C)n1ncc2cc(NC(=O)c3cc(Cl)cc(Cl)c3)cnc21 12997633 YBTWUGPMUMINRK-UHFFFAOYSA-N 349.221 4.571 0 40 EJAB Cc1noc2nc(-c3cccs3)cc(C(=O)Nc3ccccc3)c12 12999779 YHZJMAMRKMTMCX-UHFFFAOYSA-N 335.388 4.512 0 40 EJAB COc1ccc(Oc2ccc(Cl)cc2NC(=O)C2CCC2)cc1 14139696 PXOGCQKJXXTOTO-UHFFFAOYSA-N 331.799 4.880 0 40 EJAB CCN(CC)c1ccc(/C=C(\C#N)C(=O)c2c[nH]c3ccccc23)cc1 15513892 MEOKNVRXAHIHEP-GHRIWEEISA-N 343.430 4.804 0 40 EJAB CC[C@@H](NC(=O)[C@H](C)Oc1cccc(Cl)c1)c1ccc(C)cc1 20489017 WADOBBFMFNBBNW-KBXCAEBGSA-N 331.843 4.683 0 40 EJAB O=c1c2c(-c3ccc(Cl)cc3)csc2ncn1C1CCCC1 21790270 OTEVVXDDUIBXEA-UHFFFAOYSA-N 330.840 4.894 0 40 EJAB CC[C@H](Oc1ccccc1Cl)C(=O)N[C@H](CC)c1ccccc1 22528335 PQBBLFZSEPYCBJ-SJORKVTESA-N 331.843 4.765 0 40 EJAB COc1cccc(C(=O)N(Cc2ccco2)c2ccc(Cl)cc2)c1 27795253 BCXKAMSZQHMSBC-UHFFFAOYSA-N 341.794 4.789 0 40 EJAB Cc1ccc2nc(NC(=O)c3cc(-c4cccs4)on3)sc2c1 27990556 ULCNNFFCJWMBCN-UHFFFAOYSA-N 341.417 4.574 0 40 EJAB CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccc(Cc3ccncc3)cc2)C1(C)C 30955022 DXDKRPIKKVMJBU-PMACEKPBSA-N 334.463 4.849 0 40 EJAB CC(=O)c1sc(NC(=O)Nc2cccs2)nc1-c1ccccc1 38671364 ULJMGVRMVWEHCK-UHFFFAOYSA-N 343.433 4.718 0 40 EJAB Cc1ccc(C(=O)N[C@@H](c2ccccc2)c2cc3ccccc3o2)o1 39535596 FEENZBXYXYEZIB-FQEVSTJZSA-N 331.371 4.854 0 40 EJAB CC(C)c1nc2cc(NC(=O)c3cccc4cccnc34)ccc2o1 46393446 SFUMGNSLFDEAFL-UHFFFAOYSA-N 331.375 4.752 0 40 EJAB O=C(C(c1ccccc1)c1ccccc1)N1CCc2ccc(F)cc21 58740959 NHKGYHDLMXBQMT-UHFFFAOYSA-N 331.390 4.547 0 40 EJAB CC[C@H](CNC(=O)c1cc(-c2ccc(C)cc2)on1)c1ccccc1 72238495 CSFGRBQCMSTAJC-MRXNPFEDSA-N 334.419 4.574 0 40 EJAB Cc1ccccc1CC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 84235603 OSCHRXOUPUDCOD-QHCPKHFHSA-N 341.454 4.712 0 40 EJAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccccc3Cl)N21 222642910 IRFFMRJOANZFJP-AFAVFJNCSA-N 343.883 4.714 0 40 EJAB O=C(Nc1cccc2ccccc12)c1cnn(-c2ccc(Cl)cc2)c1 224055266 FTCDOXPGNBCRLX-UHFFFAOYSA-N 347.805 4.931 0 40 EJAB O=C(O)[C@H](Cc1ccccc1Oc1ccccc1)OCc1ccccc1 225140693 CYYZRKLEBJERRD-NRFANRHFSA-N 348.398 4.691 0 40 EJAB CO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OC2CCCC2)c(C)c1 225608395 LWBICDFYHFUUNB-FQEVSTJZSA-N 333.472 4.706 0 40 EJAB O=C(c1ccc2cc[nH]c2c1)N1CC2(CCCC2)c2c(F)cccc21 513375134 ABPVXLPNFYXJOS-UHFFFAOYSA-N 334.394 4.779 0 40 EJAB Cc1cc(C)c2nc(N(C)Cc3nc4c(s3)CCCC4)sc2c1 1655209421 YRSCBXXZCICROL-UHFFFAOYSA-N 343.521 4.885 0 40 EJAB Cc1cnc([C@H]2CCCN(Cc3[nH]c4c(C)cccc4c3C)C2)s1 2037850060 MOFRAHFVTOSGJC-INIZCTEOSA-N 339.508 4.929 0 40 EJAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(OC)c(Cl)c2)cc1 505747 BEABFARZMAIBRC-ZDUSSCGKSA-N 347.842 4.880 0 40 EJAB COc1ccc(-c2noc([C@@H](C)Oc3cccc(Cl)c3)n2)cc1 579632 DZTKMQCHZJNUAP-LLVKDONJSA-N 330.771 4.539 0 40 EJAB CCc1cccc(CC)c1NC(=O)COc1ccc(Cl)c(C)c1 3606977 LHHODZYCRUQQPA-UHFFFAOYSA-N 331.843 4.791 0 40 EJAB CCCCC(=O)Nc1nnc(-c2ccc(Cl)cc2Cl)s1 4070327 JHVLACBKZVRIBC-UHFFFAOYSA-N 330.240 4.641 0 40 EJAB CC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccco2)N3)C1 4153187 WKVHBNOJINAGIT-BMIGLBTASA-N 330.453 4.921 0 40 EJAB aggregator COc1ccc(C(=O)Nc2nc3c(C)cc(Cl)cc3s2)cc1 4330906 VYWCVKBLYLTJNX-UHFFFAOYSA-N 332.812 4.519 0 40 EJAB CCC(=O)Nc1c(C(=O)Nc2ccc(C)c(C)c2)oc2ccccc12 4353818 FWJGUIVDOIQALO-UHFFFAOYSA-N 336.391 4.650 0 40 EJAB O=C(Nc1ccc2cn[nH]c2c1)c1cccc(Oc2ccccc2)c1 4863428 ZKDWTXZRTWMNPA-UHFFFAOYSA-N 329.359 4.608 0 40 EJAB COCCn1cc(NC(=O)Nc2cccc(Cl)c2)c2ccccc21 5266483 GPFQDIWPGFDREX-UHFFFAOYSA-N 343.814 4.585 0 40 EJAB Cc1cccc2cc3c(NC(=O)C(C)(C)C)nn(CC(C)C)c3nc12 5478590 XWKAOHQJQQMFGD-UHFFFAOYSA-N 338.455 4.534 0 40 EJAB c1ccc(-c2noc(COc3ccccc3-c3ccccc3)n2)cc1 6510839 HHVHRTMJGPAZBW-UHFFFAOYSA-N 328.371 4.983 0 40 EJAB O=C(Nc1ccc2oc3ccccc3c2c1)c1ccc2[nH]cnc2c1 6909610 WGWXAEIACVXZOX-UHFFFAOYSA-N 327.343 4.715 0 40 EJAB COc1ccc(/C=C/C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1 10111731 MTWFRHQIKMAUMJ-AHQMPEJBSA-N 337.463 4.883 0 40 EJAB COC[C@@H](C)n1c(-c2ccccc2)cs/c1=N\c1cccc(C)c1 12549068 INROVFXOQASNEO-MODMUFLJSA-N 338.476 4.965 0 40 EJAB COc1cc(O)ccc1CCCc1ccc(O)c(CC=C(C)C)c1 13380009 TXWULZGRVGVEDI-UHFFFAOYSA-N 326.436 4.790 0 40 EJAB biogenic,in-vitro COc1ccc2c3c(cc(OC)c2c1)[C@H]1CC[C@@H](C(C)=O)[C@@]1(C)CC3 17355327 JAAOEGCBXVGVLL-TUNNFDKTSA-N 338.447 4.892 0 40 EJAB Cc1cc(-c2nc3cc(C)c(C)c(Br)c3o2)ccc1N 20156877 AJTOQDONJGWFJC-UHFFFAOYSA-N 331.213 4.765 0 40 EJAB CCOc1ccc(NC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1 20456161 ICNZTWIHNTYSMR-HNNXBMFYSA-N 327.424 4.615 0 40 EJAB C[C@H](c1ccc(Cl)cc1)N(C)C(=O)Cc1cccc2cccnc12 40072293 DPITXOXFOGZSLL-CQSZACIVSA-N 338.838 4.650 0 40 EJAB O=C(Nc1cccc(-c2cnco2)c1)c1cc(F)c(F)cc1Cl 48205357 UCGQQGPPMDLSTF-UHFFFAOYSA-N 334.709 4.526 0 40 EJAB O=C(N[C@H]1CCOc2ccccc21)c1cc(F)ccc1-c1ccccc1 48304032 KKUJIMIQPKPWAH-FQEVSTJZSA-N 347.389 4.746 0 40 EJAB Cc1cccc(-c2nc(C(C)C)no2)c1NC(=O)CCc1ccccc1 65476536 LLOPCISQTVMBQR-UHFFFAOYSA-N 349.434 4.740 0 40 EJAB Cc1ccc(OCCC(=O)O[C@H](C)c2cnc3ccccc3c2)cc1 69388151 SQYSUHDVKAVJSY-MRXNPFEDSA-N 335.403 4.617 0 40 EJAB CC[C@H](C(=O)NCc1ccc(-c2nccs2)cc1)c1ccccc1 85558425 RIYWVMWWGIDHBP-SFHVURJKSA-N 336.460 4.620 0 40 EJAB Fc1ccc(Br)cc1-n1c(Cl)nc2ccccc21 95915654 FJFJGAGBZQDFBM-UHFFFAOYSA-N 325.568 4.581 0 40 EJAB O=C(CN1CCCCC1)C12C[C@@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 100987028 OKUDWNOUPOGCKG-WSUXWNOTSA-N 337.507 4.580 0 40 EJAB CCc1ccc2oc(-c3ccc(N(C)C)c(Br)c3)nc2c1 216879568 ZGHPJHMANZOLDA-UHFFFAOYSA-N 345.240 4.886 0 40 EJAB Cc1cccc(CNC(=O)CCCSc2ccc(Cl)cc2)c1 222691876 XUUUOUQOXMVOCG-UHFFFAOYSA-N 333.884 4.837 0 40 EJAB Cc1ccc(Nc2ccc(NC(=S)NC3CCCCC3)cn2)cc1 224039525 PBWOJQLEYTVLLI-UHFFFAOYSA-N 340.496 4.753 0 40 EJAB O=C(O)[C@@H](Cc1cccc(Cl)c1Cl)Oc1ccc(Cl)cc1 225082398 IKHFFGZUYREMAK-CYBMUJFWSA-N 345.609 4.722 0 40 EJAB CC[C@H](CNC(=S)Nc1cccc(Cl)c1)Cc1ccccc1 225629755 ABZIWTYUYAOVGY-AWEZNQCLSA-N 332.900 4.895 0 40 EJAB O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)c1ccccc1SCc1ccccc1 408711255 MUAVYKXEEXWJOG-JENIJYKNSA-N 337.488 4.897 0 40 EJAB O=C(c1cc(C(F)(F)F)ccc1Cl)C(F)(F)Br 575360390 FTPLTOBYKYXVOJ-UHFFFAOYSA-N 337.469 4.529 0 40 EJAB CC(C)n1cc(CCNC(=O)c2cc3ccccc3[nH]2)c2ccccc21 604419289 KCIDIGFKEITPHP-UHFFFAOYSA-N 345.446 4.676 0 40 EJAB FC(F)(F)Oc1cc(Br)cc2c(Cl)ccnc12 1848350482 YBRKDBHLUMKZFB-UHFFFAOYSA-N 326.499 4.549 0 40 EJAB CC1(C)C[C@]2(CCCN2CCC(F)(F)F)CN1c1ccc(F)cc1 2037988825 KEABLHAADSWDHP-QGZVFWFLSA-N 344.396 4.601 0 40 EJAB Cc1ccccc1Nc1nc([C@]2(C)C[C@@H](C(C)C)C(=O)O2)cs1 84467 HJRFTQTZRBOHPC-UGSOOPFHSA-N 330.453 4.629 0 40 EJAB Cc1cc(=O)oc2cc(OC(=O)c3ccc(Cl)c(Cl)c3)ccc12 129498 FHMFVJSZUMOELT-UHFFFAOYSA-N 349.169 4.627 0 40 EJAB Cc1ccc(Oc2nc(Cl)nc(Oc3ccc(C)cc3)n2)cc1 191258 NVLNVGMRGCWNJV-UHFFFAOYSA-N 327.771 4.726 0 40 EJAB COc1ccccc1NC(=O)C[C@H](c1ccc(F)cc1)c1ccco1 521646 CUTDXMHGDWDDPR-MRXNPFEDSA-N 339.366 4.588 0 40 EJAB O=C(CSc1ccc(F)cc1)Nc1ccc(Cl)cc1Cl 1402827 KEVVNDAOIHHHET-UHFFFAOYSA-N 330.211 4.863 0 40 EJAB CCC[C@@H](CC)[C@@](O)(c1ccccc1)c1ccc(OCOC)cc1 1719863 CLYCETMYZQSFRN-DYESRHJHSA-N 328.452 4.732 0 40 EJAB Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cccnc2)cc1 4193112 AWPUZDKRLYGKLJ-RBBKRZOGSA-N 341.414 4.632 0 40 EJAB Cc1ccccc1C(=O)Nc1cccc(-c2cn3c(C)csc3n2)c1 5083633 SANCXOIPXLUMPQ-UHFFFAOYSA-N 347.443 4.932 0 40 EJAB CCc1ccc(C(=O)CSc2nnc(-c3ccc(C)cc3)o2)cc1 5210341 QOOLMXLDYDHWLS-UHFFFAOYSA-N 338.432 4.582 0 40 EJAB FC(F)C(F)(F)c1c/c(=N\Cc2ccccc2)c2ccccc2o1 5244027 CVZCRESCJAFNLU-OEAKJJBVSA-N 335.300 4.891 0 40 EJAB CCOc1ccc(NC(=O)Nc2ccc3nc(C)sc3c2)cc1 6963349 YKNCQFJDXDEVHE-UHFFFAOYSA-N 327.409 4.647 0 40 EJAB O=C1c2ccccc2N[C@H](c2ccsc2)N1CCc1ccccc1 7884595 DLQAJYWOUIONRG-IBGZPJMESA-N 334.444 4.557 0 40 EJAB CC(C)c1ccc(OCC(=O)N[C@@H](C)c2cc3ccccc3o2)cc1 8240609 IRWAJLLMENDGCA-HNNXBMFYSA-N 337.419 4.812 0 40 EJAB Cc1ccc([C@@H](N[C@H](C)C(=O)Nc2ccc(C)c(F)c2)C2CC2)cc1 10351442 CSZYKZMDYFNJRB-FOIQADDNSA-N 340.442 4.510 0 40 EJAB Cc1ccccc1NC(=O)c1cc(-c2cccs2)nc2onc(C)c12 12618300 FKEKNJPSEHQZME-UHFFFAOYSA-N 349.415 4.820 0 40 EJAB Fc1ccc(SC[C@H]2CSc3nnc(-c4ccccc4)n32)cc1 12898116 XNRXHLSEXQFJAD-AWEZNQCLSA-N 343.452 4.523 0 40 EJAB Cc1csc(NC(=O)c2ccc3noc(-c4ccccc4)c3c2)n1 13549169 IMUVYCVZKMFQCM-UHFFFAOYSA-N 335.388 4.512 0 40 EJAB O=C(Nc1ccccc1)O[C@@H]1[C@H]2CCC[C@@H]1[C@@H](N1CCCCC1)CC2 13563635 LURDPRCEUSFKGO-OJAHFUOMSA-N 342.483 4.668 0 40 EJAB Cc1cc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)no1 13744281 QRGRDJVQJRPFBR-UHFFFAOYSA-N 327.192 4.757 0 40 EJAB Cc1ccc(OCC(=O)Nc2nc3c(C)cc(C)cc3s2)c(C)c1 14258028 KHWVWNQAHWYWOL-UHFFFAOYSA-N 340.448 4.547 0 40 EJAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1cccc(Br)c1 14553022 SKNIDPATBFGHGX-OAHLLOKOSA-N 348.240 4.554 0 40 EJAB CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc(C2CCCCC2)cc1 30658312 RALVJXWPSSKEPA-UHFFFAOYSA-N 347.462 4.883 0 40 EJAB COc1ccc([C@@H](CC(C)C)NC(=O)CCc2ccc(C)cc2)cc1 30754353 SLWPYUZTORDCNF-OAQYLSRUSA-N 339.479 4.840 0 40 EJAB COCCN(Cc1ccccc1)C(=O)/C=C/c1cccc2ccccc12 31483271 DZKAZWXCUFOBRD-CCEZHUSRSA-N 345.442 4.528 0 40 EJAB COc1cccc(CC(=O)N(Cc2ccccc2)c2ccc(C)cc2)c1 32731086 PTFPOZSERHSOCI-UHFFFAOYSA-N 345.442 4.780 0 40 EJAB C[C@H]1CCC[C@H](NC(=O)c2cccc(OCc3ccccc3)c2)[C@@H]1C 33028639 DJXJETVHGPUZGE-FVJLSDCUSA-N 337.463 4.820 0 40 EJAB COc1ccc(CSc2nccn3nc(-c4ccccc4)cc23)cc1 48990902 UXZDYGKGCNVXIC-UHFFFAOYSA-N 347.443 4.697 0 40 EJAB O=C(Nc1ccc(-n2cnc3ccccc32)cc1)c1ccc(F)c(F)c1 57663073 UWOKUYXFDUZMNS-UHFFFAOYSA-N 349.340 4.556 0 40 EJAB Cc1ccc(C)c([C@@H](C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2)c1 113943671 NGYQGEOCXLWRFA-CABCVRRESA-N 331.843 4.602 0 40 EJAB Cc1ccccc1O[C@H](C)C(=O)Nc1ccc2c3c(cccc13)CC2 224415434 ZMWCYLCECXLHLS-OAHLLOKOSA-N 331.415 4.653 0 40 EJAB CC(C)O[C@H](Cc1cc(Cl)ccc1Oc1ccccc1)C(=O)O 225135243 BWMRQZGRIWWJRS-QGZVFWFLSA-N 334.799 4.553 0 40 EJAB C[C@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccccc1Cl 225148944 STFYMOSHPBAMIO-ZDUSSCGKSA-N 329.827 4.625 0 40 EJAB COc1ccc(C(=O)N[C@H](c2ccccc2)c2ccccc2C)cc1F 225391183 DHHHQNCRAOIBQM-OAQYLSRUSA-N 349.405 4.662 0 40 EJAB CC(C)[C@H]1CCCCN1c1cc(C(F)(F)F)c2cccc(N)c2n1 685938308 QIIZEWNTUBQYLZ-OAHLLOKOSA-N 337.389 4.851 0 40 EJAB CCOc1ccc(C(=O)Nc2nc3ccc(Cl)cc3s2)cc1 187422 HIUVTBHQAJKLEZ-UHFFFAOYSA-N 332.812 4.601 0 40 EJAB CC(C)CC(=O)NC(=S)Nc1cc(Cl)c(Cl)cc1Cl 342014 NGWXCPSYVWTGKI-UHFFFAOYSA-N 339.675 4.506 0 40 EJAB Cc1ccc(NC(=O)c2noc3c2C[C@H](C(C)(C)C)CC3)cc1C 426618 CJWBCOURPFJDQW-CQSZACIVSA-N 326.440 4.695 0 40 EJAB Cc1cccc(-c2nnc3sc(-c4cccc5ccccc45)nn23)c1 1018214 GIYSEQJHASVRQK-UHFFFAOYSA-N 342.427 4.981 0 40 EJAB CC(C)OC(=O)c1ccc(NC(=O)c2ccc(C(C)C)cc2)cc1 1284137 ORBLMLXIFQXUTL-UHFFFAOYSA-N 325.408 4.628 0 40 EJAB C[P@](=O)(Nc1cccc(Br)c1)Oc1ccccc1 3123435 KGMWKMUJQBUXTD-GOSISDBHSA-N 326.130 4.763 0 40 EJAB Cc1nc(N[C@H](C)c2ccccc2)sc1C(=O)Nc1ccccc1 3431518 SJSFWGSDXSCXNK-CYBMUJFWSA-N 337.448 4.877 0 40 EJAB Cc1cc(NC(=O)CCCOc2ccccc2)ccc1Br 3562163 IUHYXNZGWQDXHW-UHFFFAOYSA-N 348.240 4.555 0 40 EJAB COc1cccc2c1CC[C@H]1[C@H]2CC[C@@H]2C[C@H](OC(C)=O)CC[C@@]12C 4532601 NTOWCXZNUSRHKI-PAERJLFZSA-N 342.479 4.873 0 40 EJAB COc1ccc(NC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)c(OC)c1 4666399 BDVVLBJFYMRCKC-HNNXBMFYSA-N 341.451 4.645 0 40 EJAB Cc1ccc([C@@H]2c3cccn3CCN2C(=O)Nc2ccccc2F)cc1 4854551 UWFRKLNHOQECQN-HXUWFJFHSA-N 349.409 4.573 0 40 EJAB COc1ccc(OC)c(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)c1 5383817 BMSVBAQSPSMFCY-MDWZMJQESA-N 339.435 4.653 0 40 EJAB Cc1cc(C)cc(-n2c(=S)[nH]c3sc4c(c3c2=O)CCCC4)c1 6016910 VLGOVLDMKVRKFP-UHFFFAOYSA-N 342.489 4.605 0 40 EJAB C[C@H](CC(=O)NCCc1ccc(Cl)cc1Cl)c1ccccc1 6606773 ZLGMUOLKASPMIP-CYBMUJFWSA-N 336.262 4.846 0 40 EJAB COc1ccc2nc(SCc3cc(-c4ccccc4)on3)[nH]c2c1 7219968 HLAJAHPQSJNTEW-UHFFFAOYSA-N 337.404 4.519 0 40 EJAB O=C(CCc1nc(-c2ccsc2)no1)Nc1cccc2ccccc12 8156302 AOSALRPTKQZUHC-UHFFFAOYSA-N 349.415 4.523 0 40 EJAB Clc1ccc(Nc2nnc(-c3ccc(Br)cc3)[nH]2)cc1 8903528 VJPBGDAYHATSBL-UHFFFAOYSA-N 349.619 4.631 0 40 EJAB CCCCc1cc(=O)oc2c(C)c3c(cc12)C(=O)CC1(CCCC1)O3 9476973 YEDLKYUVVXNMNO-UHFFFAOYSA-N 340.419 4.722 0 40 EJAB CC(C)c1cc(NC(=O)CSc2cc(Cl)ccc2Cl)on1 14223153 AFYRALUODOEUAD-UHFFFAOYSA-N 345.251 4.836 0 40 EJAB Cc1ccc(NC(=O)CCCc2cccs2)c(Br)c1 15315835 FANLQYAYAWCGOF-UHFFFAOYSA-N 338.270 4.780 0 40 EJAB Cc1ccc(Nc2ncnc3c2cnn3-c2ccc(Cl)cc2)c(C)c1 17950485 KVCPRPHXSGLDOT-UHFFFAOYSA-N 349.825 4.829 0 40 EJAB Cc1cc(SCc2cc3c(cc2Cl)OCO3)nc(C(C)C)n1 20120548 KYJGAAQRUHIXRE-UHFFFAOYSA-N 336.844 4.583 0 40 EJAB CC[C@@H](Oc1ccccc1C)C(=O)N[C@H](C)c1ccc(C)cc1C 20489978 FQVRGOFQPOIANL-IEBWSBKVSA-N 325.452 4.647 0 40 EJAB C[C@@H](NCc1ccc(-c2cccc(Cl)c2)o1)[C@@H](O)c1ccccc1 22076589 VZRPVBFYVPJKMO-JLTOFOAXSA-N 341.838 4.812 0 40 EJAB C[C@H](N[C@@H](C)c1ccc2ccccc2c1)C(=O)Nc1ccc(F)cc1 28352275 UQZJTEIEXIRSBI-GJZGRUSLSA-N 336.410 4.657 0 40 EJAB Cc1cccn2cc(CSc3ccccc3Br)nc12 32824237 DUDAZAOFSLIARW-UHFFFAOYSA-N 333.254 4.698 0 40 EJAB COc1ccc(Br)cc1CNc1ccccc1Cl 33560739 LXXJUGDGRXKYLI-UHFFFAOYSA-N 326.621 4.723 0 40 EJAB O=C(C[C@@H]1C=CCC1)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 42759875 OPYJXGZLTBXRDS-CYBMUJFWSA-N 344.842 4.544 0 40 EJAB COc1ccc(NC(=O)Nc2ccc(Cl)cc2Cl)c(C)c1 51355885 DDWZBPHEWPDLCH-UHFFFAOYSA-N 325.195 4.954 0 40 EJAB Cc1oc(-c2cccs2)nc1C(=O)N1CCC[C@@H]1C1CCCCC1 58407757 LMIBULKSUAFGSP-OAHLLOKOSA-N 344.480 4.896 0 40 EJAB CNc1nc2c(s1)[C@H](c1ccc(OC3CCCC3)cc1)CC(O)=N2 61719927 IALZDKSMTBXCHL-AWEZNQCLSA-N 343.452 4.630 0 40 EJAB Cc1ccsc1-c1nnc(SCc2ncc(C(C)(C)C)o2)o1 69698491 XDJPLPAYDGZXER-UHFFFAOYSA-N 335.454 4.684 0 40 EJAB CC(C)(C)OC(=O)N1CCCC[C@@H]1c1cccnc1N1CCCCC1 72216130 FWFJKUFVCLHZJF-QGZVFWFLSA-N 345.487 4.534 0 40 EJAB Cc1cc2ncnc(NCc3coc(-c4ccccc4)n3)c2cc1C 95945044 VOAFTDKKAIWFIM-UHFFFAOYSA-N 330.391 4.514 0 40 EJAB Cc1ccc(-c2nc(CN[C@@H]3CCCc4nc(C)sc43)co2)cc1 95968793 AOUHBIJFDFXRNE-MRXNPFEDSA-N 339.464 4.582 0 40 EJAB Cc1ccc(CN2C(=O)S/C(=C\C=C\c3ccccc3)C2=O)cc1 106704113 CLZQCLRSXURDOO-WCTLISOUSA-N 335.428 4.788 0 40 EJAB O=C(O)c1cc(Cl)ccc1NC(=S)Nc1cccc(Cl)c1 216931001 QSOMAWGAGARBSM-UHFFFAOYSA-N 341.219 4.501 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)COc2ccccc2C(C)(C)C)cc1 222799144 FOQCASFTPPZVRP-MRXNPFEDSA-N 325.452 4.549 0 40 EJAB Cc1cc(Cl)ccc1N(C)S(=O)(=O)c1ccc2ccccc2c1 225054438 CXQMRWOJEYCYCB-UHFFFAOYSA-N 345.851 4.627 0 40 EJAB COc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)c(C)n1 225866990 MPEMGWYPAURFKL-UHFFFAOYSA-N 338.451 4.548 0 40 EJAB C[C@H](O)c1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1 226272912 LPQVGLFGBZGLBT-INIZCTEOSA-N 331.415 4.511 0 40 EJAB FC(F)(F)c1cc([C@@H](NCc2ccon2)C2CC2)ccc1Cl 390833543 JDFOCVZEWHAKQC-AWEZNQCLSA-N 330.737 4.588 0 40 EJAB COc1ccc(Cl)cc1NC(=O)NCc1ccc(-c2ccco2)o1 575609488 CJYLOCXZMMXYGT-UHFFFAOYSA-N 346.770 4.523 0 40 EJAB C[C@@H](Cc1csc2ccccc12)NC(=O)c1ccc(F)c(F)c1 575620188 IXXVWLIELBJPDS-NSHDSACASA-N 331.387 4.541 0 40 EJAB CC[C@H](NC(=O)Cc1ccc(Br)cc1)c1ccc(C)cc1 2764787 LYXODEAGLWHZKF-KRWDZBQOSA-N 346.268 4.568 0 40 EJAB Cc1nn(-c2ccccc2)c2c1C(=O)C[C@@H](c1cccc(Cl)c1)C2 5451469 PIHJKUQXZJMLQP-HNNXBMFYSA-N 336.822 4.747 0 40 EJAB Cc1ccnc(N[C@@H](c2ccc(Cl)cc2)n2nc(C)cc2C)c1 5748610 IQPKXBNXMQCSRI-GOSISDBHSA-N 326.831 4.516 0 40 EJAB O=C(CNc1ccccc1Oc1ccccc1)Nc1cccc(F)c1 6250121 DATBSHWFMSONHK-UHFFFAOYSA-N 336.366 4.669 0 40 EJAB Cc1ccc(-c2nnc(S[C@H](C)C(=O)c3ccccc3)o2)cc1C 6609383 GQECLTWTERAVQU-CQSZACIVSA-N 338.432 4.717 0 40 EJAB O=C1c2ccccc2N[C@H](c2cc3ccccc3o2)N1CC(F)(F)F 12517285 DGKOLFHCYCOUKK-INIZCTEOSA-N 346.308 4.562 0 40 EJAB Cc1cccc(C)c1NC(=O)Cc1csc(-c2ccsc2)n1 12792652 VVXOQJYASHGNFS-UHFFFAOYSA-N 328.462 4.670 0 40 EJAB CC[C@@H]1c2ccsc2CCN1Cc1c[nH]nc1-c1cccs1 19500996 IRKIGXWISFBEPX-CQSZACIVSA-N 329.494 4.709 0 40 EJAB Cc1cc(-c2ccccc2)cc(C2CCN(C(=O)C3CCCC3)CC2)n1 19691107 OPDKEFFECKSEOT-UHFFFAOYSA-N 348.490 4.953 0 40 EJAB C[C@@H]1CCCN(C(=O)c2ccc(CN3CCCc4ccccc43)cc2)C1 19932452 XRJXCGUZNWGONV-GOSISDBHSA-N 348.490 4.512 0 40 EJAB Cc1ccccc1O[C@H](C)C(=O)N[C@@H](CC(C)C)c1ccccc1 20104234 DNKSXOOKSYDNAB-MJGOQNOKSA-N 325.452 4.666 0 40 EJAB CCOc1ccccc1C(=O)Nc1nc2c(C)c(C)ccc2s1 27756670 BBJWKTJSMQZLER-UHFFFAOYSA-N 326.421 4.564 0 40 EJAB Cc1nc(NC(=O)c2ccc(F)cc2F)sc1-c1ccccc1 31968359 DBEKYJQTUNHNAM-UHFFFAOYSA-N 330.359 4.649 0 40 EJAB CCc1ccc([C@H](C)NCC(=O)Nc2ccc(C)cc2Cl)cc1 32664951 GHGLQBQYPWCLSO-AWEZNQCLSA-N 330.859 4.500 0 40 EJAB O=C(c1cc2cc(Cl)ccc2[nH]1)N(Cc1ccccc1F)C1CC1 32759752 PKIXAKWUOQYHIJ-UHFFFAOYSA-N 342.801 4.765 0 40 EJAB O=C(NCCc1cccs1)C1(c2ccc(Cl)cc2)CCCC1 32988815 IHCQDDBIWGDDEN-UHFFFAOYSA-N 333.884 4.572 0 40 EJAB C[C@@H]1c2cccn2CCN1Cc1csc(-c2ccccc2Cl)n1 48345392 ZFLWYWNKDJOFGF-CYBMUJFWSA-N 343.883 4.842 0 40 EJAB CC(=O)Nc1ccc(C)c(NCc2c(C)cc(C)c(C(C)=O)c2C)c1 55841454 WODMIIVVUDHJGN-UHFFFAOYSA-N 338.451 4.693 0 40 EJAB CCCOc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 59400777 BGCWVEPBWRXJSA-UHFFFAOYSA-N 339.313 4.626 0 40 EJAB CCc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)cc1 78458264 LWYMHSGJOTUEQG-CABCVRRESA-N 345.870 4.856 0 40 EJAB C[C@H](Nc1ccc(N2CCCCCC2)cc1)c1nc(C2CC2)no1 78624353 DNPZCRUDIPQSES-AWEZNQCLSA-N 326.444 4.501 0 40 EJAB COc1ccc(C[C@H]2C(=O)N(c3ccccc3)c3ccccc32)cc1 101013893 YSBJDIIZHWUUOC-HXUWFJFHSA-N 329.399 4.700 0 40 EJAB CC[C@H](NC(=O)COc1ccc(Cl)c(C)c1)c1ccc(C)c(C)c1 218941409 AAECJUUJOLARRU-IBGZPJMESA-N 345.870 4.912 0 40 EJAB CCCCc1ccc(NC(=O)c2cnc(-c3cccc(F)c3)nc2)cc1 222626120 SHXZNGYNZBMDFM-UHFFFAOYSA-N 349.409 4.878 0 40 EJAB CCC[C@@H](C)NC(=O)c1ccc(OCC)c(COc2ccccc2)c1 224367125 DSZZAWWJNCJHDZ-MRXNPFEDSA-N 341.451 4.583 0 40 EJAB CCOc1cccc(NC(=S)N[C@H](CC)c2ccc(OC)cc2)c1 225489281 QTKYHLDMTWMKDN-GOSISDBHSA-N 344.480 4.532 0 40 EJAB CC(C)CCC[C@@]1(C)Oc2ccc(CC(=O)O)cc2[C@@H]2OCCC[C@H]21 585265747 OVGNPRFKBFIXGO-JRGCBEDISA-N 346.467 4.759 0 40 EJAB Cc1nc(Nc2ccccc2)c2c(C)c(Cc3ccccc3)[nH]c2n1 1584920 WUOLSFQRZPSEPY-UHFFFAOYSA-N 328.419 4.909 0 40 EJAB COc1ccccc1[C@H]1C[C@H](c2ccc(C(C)C)cc2)Nc2ncnn21 2919422 DNVYOFNGJIIWIQ-RTBURBONSA-N 348.450 4.556 0 40 EJAB CC(=O)c1cccc(NC(=O)C2c3ccccc3-c3ccccc32)c1 3422095 NIQUEUWKIDXHMQ-UHFFFAOYSA-N 327.383 4.640 0 40 EJAB O=C(OCC(=O)c1c[nH]c2ccccc12)c1ccc(Cl)c(Cl)c1 3571327 DQBKEPYYZQVUGH-UHFFFAOYSA-N 348.185 4.514 0 40 EJAB CCO[C@@H](CN(CC)CC)c1ccc(CCc2ccccc2)cc1 6382420 LNHBDBUKNFBEPP-QFIPXVFZSA-N 325.496 4.891 0 40 EJAB Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)c1ccc(F)cc1 6710844 PIDDWUPGRMMRMN-UHFFFAOYSA-N 347.349 4.590 0 40 EJAB Cc1ccc(-c2csc3ncn(Cc4ccccc4)c(=O)c23)s1 7671901 GYQZNVDNCDQZSB-UHFFFAOYSA-N 338.457 4.543 0 40 EJAB CCOc1ccc(NC(=S)N[C@@H](CC)c2ccc(OC)cc2)cc1 8085531 LZSUUWAAIKFFOU-SFHVURJKSA-N 344.480 4.532 0 40 EJAB O=C(Nc1nc2ncccc2cc1-c1ccccc1)c1cccs1 11695926 MHDQXGDLPVGKQB-UHFFFAOYSA-N 331.400 4.611 0 40 EJAB c1ccc(CN(Cc2ccncc2)Cc2ccc3ccccc3n2)cc1 13989238 SKPUOFBZORYUPN-UHFFFAOYSA-N 339.442 4.832 0 40 EJAB O=C(CCCc1nc2ccccc2s1)Nc1cc(F)ccc1F 15005573 CXMVIHSPGCWPAG-UHFFFAOYSA-N 332.375 4.536 0 40 EJAB C[C@@H](c1ccccc1)N(C)C(=O)/C=C/c1cccc(Br)c1 15568520 ZIIHVASSDMIZHH-GETOMWPZSA-N 344.252 4.682 0 40 EJAB c1ccc(Cc2nc3ccccc3n2Cc2nc3ccccc3[nH]2)cc1 23528970 LPROILDOIUSZDF-UHFFFAOYSA-N 338.414 4.552 0 40 EJAB Cc1cc(NC(=O)CCc2ccc(Cl)cc2)n(C2CCCC2)n1 28306425 GRLFYTCFBBBJTM-UHFFFAOYSA-N 331.847 4.531 0 40 EJAB CCc1ccc(OCc2ccccc2-c2nc(C(=O)O)cs2)cc1 31944107 CSFDLQGKNTWLEG-UHFFFAOYSA-N 339.416 4.650 0 40 EJAB Cc1ccc(Cl)cc1NC(=O)CCCc1nc2ccccc2o1 32034329 YZEIXDWZJQGMJH-UHFFFAOYSA-N 328.799 4.751 0 40 EJAB CCCc1ccccc1NC(=O)C[C@H]1c2ccccc2C=CN1C(C)=O 32051712 MOVVCNMNRZWJJB-NRFANRHFSA-N 348.446 4.542 0 40 EJAB COc1ccccc1NC(=O)[C@H](C)N[C@@H](C)c1ccc2ccccc2c1 57315511 MEECJANBIBTQKO-HOTGVXAUSA-N 348.446 4.526 0 40 EJAB CC[C@@H]1CCCN(C(=O)Nc2ccc3nc(C4CC4)sc3c2)C1 58454242 OGPYGSSHWKQVQG-GFCCVEGCSA-N 329.469 4.828 0 40 EJAB O=C(Cc1ccc(-c2ccccc2)cc1)NCc1cc2ccccc2[nH]1 58903246 WYYAHWDHHRLJBV-UHFFFAOYSA-N 340.426 4.694 0 40 EJAB O=C(/C=C/c1ccccc1)Nc1cc(Br)ccc1Cl 61692784 MSXBCAKUVBHSDF-RMKNXTFCSA-N 336.616 4.754 0 40 EJAB O=C(CCc1ccccc1)OCc1ccc(Oc2cccnc2)cc1 62639946 PKGODNWCZSTKMY-UHFFFAOYSA-N 333.387 4.550 0 40 EJAB COc1ccc(NC(=S)N[C@@H](C)CC(C)(C)c2ccccc2)cc1 66012432 VJHGWMSHTOUHFB-HNNXBMFYSA-N 342.508 4.738 0 40 EJAB Cc1ccc(-c2nc(NCc3cccnc3)ncc2-c2ccsc2)o1 72342796 FYZLRLBUMSZFSS-UHFFFAOYSA-N 348.431 4.781 0 40 EJAB O=C(O)c1cccc(Nc2ccnc3cc(Cl)cc(Cl)c23)c1 78401490 FXGMRUCFPLFHQF-UHFFFAOYSA-N 333.174 4.983 0 40 EJAB CC(C)(C)OC(=O)N1CCC[C@H]1CNc1ccc(C(F)(F)F)cc1 83264802 LMFMZXSXMHPNDB-AWEZNQCLSA-N 344.377 4.517 0 40 EJAB CC(=O)Nc1c(C)cccc1-c1nc2ccc(F)cc2n1C(C)C 89688796 OIEAPJHDGFETNU-UHFFFAOYSA-N 325.387 4.690 0 40 EJAB Cc1coc(-c2cccc(NC(=O)c3c(F)cccc3Cl)c2)n1 89702571 RSBOIQFUQBBYOP-UHFFFAOYSA-N 330.746 4.695 0 40 EJAB O=C(Oc1ccccc1-c1ccccc1)[C@H]1Cc2ccccc2S1 89851216 QJNZUZUMMPKFBL-HXUWFJFHSA-N 332.424 4.976 0 40 EJAB C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)N1CCc2ccccc21 102679523 RYACLYYUNQHKCI-LBPRGKRZSA-N 325.799 4.514 0 40 EJAB Cc1ccnc(N(Cc2cccc(Cl)c2)C(=O)OC(C)(C)C)c1 199713494 DJADJJBYIZWJCG-UHFFFAOYSA-N 332.831 4.985 0 40 EJAB O=C(Nc1ccccc1F)c1ccc(CN2CCc3ccccc32)cc1 216469913 GACONZMLYKTKMS-UHFFFAOYSA-N 346.405 4.641 0 40 EJAB Cc1cccc(CNC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)c1 223837557 PFRDLNWOQNMGCR-QGZVFWFLSA-N 325.452 4.511 0 40 EJAB Cc1cc(C)cc(O[C@H](Cc2cccc(Cl)c2Cl)C(=O)O)c1 225082744 FKGIWYBYDHEMGI-OAHLLOKOSA-N 339.218 4.685 0 40 EJAB CCOc1ccccc1C[C@H](Sc1ccc(Cl)cc1)C(=O)O 225105628 YHCQCGLEWDBWHB-INIZCTEOSA-N 336.840 4.527 0 40 EJAB Cc1cc(C)c(C(=O)NCCSCc2ccccc2C)cc1C 225642229 VPEDLVBMOULANW-UHFFFAOYSA-N 327.493 4.583 0 40 EJAB Fc1cccc(-c2noc(-c3cccnc3NC3CCCCC3)n2)c1 1888989783 QLZOLTQMIVVMAG-UHFFFAOYSA-N 338.386 4.682 0 40 EJAB CCOC(=O)c1c(-c2ccccc2)oc2ccc(OC(=O)CC)cc12 44945 MNOMTXPHLCDQCV-UHFFFAOYSA-N 338.359 4.592 0 40 EJAB biogenic CCOc1ccc(-c2nc(-c3ccc(Br)cc3)no2)cc1 430492 KOJIJCRXVAEIDP-UHFFFAOYSA-N 345.196 4.565 0 40 EJAB CCN(CC)c1cc2c(cc1Br)-c1ccccc1C2=O 1602349 ASPQVSQTUBHQSW-UHFFFAOYSA-N 330.225 4.507 0 40 EJAB CC(C)CCC(CCC(C)C)NC[C@H](C)OC(=O)c1ccc(N)cc1 1709210 TWVTWCBIIFGPRH-KRWDZBQOSA-N 348.531 4.645 0 40 EJAB Cc1ccc2oc(-c3cc(=O)oc4cc5c(cc34)OCO5)c(C)c2c1 2117452 NLWVPEMALHZXDA-UHFFFAOYSA-N 334.327 4.552 0 40 EJAB biogenic CCOP(=O)(OCC)[C@H](O)/C=C(\Cl)c1ccc(Cl)cc1 2556210 SMPMXJWZKBAUIM-SUIFULHWSA-N 339.155 4.504 0 40 EJAB CC(C)(C)c1ccc(OCC(=O)OCc2ccc(Cl)cc2)cc1 3254299 QDESHYMKYLWUAE-UHFFFAOYSA-N 332.827 4.760 0 40 EJAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc2ccccc2n1 3440456 BPEAIBIBFRRSIT-UHFFFAOYSA-N 344.336 4.526 0 40 EJAB c1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cccs2)cc1 3900805 GOWACXPZKVVISS-FXAWDEMLSA-N 332.428 4.990 0 40 EJAB CCCCSc1nc2scc(-c3ccc(OC)cc3)c2c(=O)[nH]1 4649949 DFTIAAWXKMYAID-UHFFFAOYSA-N 346.477 4.552 0 40 EJAB O=C(Nc1ccc(Cl)cc1)Nc1ccc(N2CCCCC2=O)cc1 5441294 KASYLWXZFUGFJM-UHFFFAOYSA-N 343.814 4.501 0 40 EJAB Cc1ccc(C)c(-c2csc(NC(=O)c3ccccc3F)n2)c1 6237572 VBVWOKSQAFRBTM-UHFFFAOYSA-N 326.396 4.818 0 40 EJAB CCn1c(SCc2c(F)cccc2F)nnc1-c1ccc(C)cc1 6451427 AVVUQPYOQZKKNP-UHFFFAOYSA-N 345.418 4.844 0 40 EJAB Cc1ncsc1CCOC(=O)/C=C/c1ccc(Cl)cc1Cl 6588904 WKZHYACUHGWIHC-HWKANZROSA-N 342.247 4.557 0 40 EJAB Clc1ccc(Cl)c(-c2ccc(CNC[C@@H]3CCCO3)o2)c1 7524481 RKJHZYAGZPSYAU-LBPRGKRZSA-N 326.223 4.522 0 40 EJAB CCCCn1c(-c2cccc(OC)c2)nc(=S)c2c1CCCC2 8767940 DBYGQLBDJFUTAZ-UHFFFAOYSA-N 328.481 4.967 0 40 EJAB CC(=O)Oc1ccc2cc(-c3coc4cc(C)cc(C)c34)c(=O)oc2c1 11869679 OAWAVGRRSDOTEV-UHFFFAOYSA-N 348.354 4.748 0 40 EJAB biogenic Cc1cc([C@@H]2CCCCCN2Cc2ccc(OC(C)C)cc2)no1 12185865 UMIBMNGHZGZTPU-FQEVSTJZSA-N 328.456 4.888 0 40 EJAB CCOc1ccc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 14665156 GRPJRRFOCAVHJC-HNNXBMFYSA-N 341.451 4.789 0 40 EJAB Fc1cccc(NC(=S)NCCSc2ccc(Cl)cc2)c1 18138250 XNSBUIDPSJUORP-UHFFFAOYSA-N 340.876 4.558 0 40 EJAB CC[C@@H](C)c1ccccc1O[C@@H](C)C(=O)Nc1ccc(Cl)c(N)c1 19736696 MYFXIFSWODZJOP-OLZOCXBDSA-N 346.858 4.842 0 40 EJAB O=C(Nc1ccc(OC(F)F)c(Cc2ccccc2)c1)C1CCC1 21759201 HSEACSFJRDLFTK-UHFFFAOYSA-N 331.362 4.617 0 40 EJAB COc1ccc2nc(C)c(C(=O)Nc3ccc(Cl)cc3C)cc2c1 25765389 AVMZKLVRZHZYLZ-UHFFFAOYSA-N 340.810 4.766 0 40 EJAB CSCc1cccc(C(=O)N[C@H]2CCSc3c(F)cccc32)c1 28043236 QAIVOYMMRPRVMD-INIZCTEOSA-N 347.480 4.656 0 40 EJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)c1ccc(C)cc1 30871515 RNNKPZKKYGGKTM-KBXCAEBGSA-N 331.843 4.683 0 40 EJAB S=C(Nc1cccc2ccccc12)Nc1cccc2cnncc12 33776443 XGFXBZVIYTUAOO-UHFFFAOYSA-N 330.416 4.592 0 40 EJAB O=C(Nc1cccc(CN2CCCC2)c1)c1ccc(Cl)cc1Cl 36391781 YQALGFOCQNRMPF-UHFFFAOYSA-N 349.261 4.842 0 40 EJAB Cc1ccc(Oc2ccc3ncccc3c2N)c(Br)c1 37378601 USIPZFOOFUWYDM-UHFFFAOYSA-N 329.197 4.680 0 40 EJAB O[C@]1(c2ccccc2)c2ccccc2-c2ccc(Br)cc21 39351858 NJRNORJLPQYHHY-LJQANCHMSA-N 337.216 4.714 0 40 EJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)CCc1ccccc1 44840269 RPQABHXHYOSZPX-BEFAXECRSA-N 345.870 4.635 0 40 EJAB CCSc1ccccc1NC(=O)[C@@H](CC)Oc1ccc(F)cc1 44900501 RZTYJORUKCFXPI-MRXNPFEDSA-N 333.428 4.734 0 40 EJAB Cc1cc(Br)c2oc(-c3ccc(N)c(Cl)c3)nc2c1 45954140 XFVQWTYKTSDDIZ-UHFFFAOYSA-N 337.604 4.801 0 40 EJAB CC(C)Sc1ccccc1C(=O)NCCOc1ccc(Cl)cc1 69768317 QTPOPOXJEHUOSZ-UHFFFAOYSA-N 349.883 4.649 0 40 EJAB CC[C@@H](C)Nc1ncccc1[C@H]1CCCCN1C(=O)c1ccccc1 72213459 NQWMDAWPOCWPBD-VQIMIIECSA-N 337.467 4.659 0 40 EJAB CS[C@H](C)c1cccc(NC(=O)c2ccccc2-c2cncnc2)c1 78112957 KBZAFARWPVMKIP-CQSZACIVSA-N 349.459 4.820 0 40 EJAB CCc1ccc([C@@H](C)NC(=O)[C@@H](CC)Oc2ccccc2Cl)cc1 78458483 JCIIKYMFLHWWNH-RDTXWAMCSA-N 345.870 4.937 0 40 EJAB CC(=O)Nc1cc(NC(=O)CCCSC(C)(C)C)ccc1Cl 95435908 YJILYMRKUMBFRQ-UHFFFAOYSA-N 342.892 4.549 0 40 EJAB Cc1n[nH]c2cc(NC(=O)c3ccc(SC(C)C)cc3)ccc12 95455967 DTOICSGSTLESOQ-UHFFFAOYSA-N 325.437 4.624 0 40 EJAB COc1ccc([C@H](C)N[C@@H](C)c2cc(C)sc2C)cc1NC(C)=O 96476495 GNXZAMQTLRWCFV-STQMWFEESA-N 346.496 4.744 0 40 EJAB Oc1cc(-c2ccccc2Cl)nn1-c1nc2ccccc2s1 100134576 BEEBUJOVIFEJBW-UHFFFAOYSA-N 327.796 4.508 0 40 EJAB O=C1S/C(=C/c2cccc(F)c2)C(=O)N1Cc1ccc(Cl)cc1 214155413 SYAWTOAWBHOBAM-OQLLNIDSSA-N 347.798 4.716 0 40 EJAB CC(C)(Cc1ccccc1)NC(=O)CCSc1ccc(Cl)cc1 222593621 RCDXONLPYIGAMO-UHFFFAOYSA-N 347.911 4.960 0 40 EJAB CC(C)Oc1cccc(CCCNC(=O)c2ccc(Cl)cc2F)c1 225124177 QPKUWYHUSLFZLO-UHFFFAOYSA-N 349.833 4.629 0 40 EJAB Cc1cc(C)c(C[C@@H](Oc2ccc(Cl)c(C)c2)C(=O)O)c(C)c1 225136397 QNSHWSNYAIXXNK-GOSISDBHSA-N 332.827 4.648 0 40 EJAB Cc1ccc(NC(=S)N[C@H](C)c2ccc(C(C)(C)C)cc2)nc1 225408819 PNGDFFFPIOZWNR-CQSZACIVSA-N 327.497 4.735 0 40 EJAB Cc1ccc(C)c(NC(=S)NCCCSCc2ccco2)c1 225592609 ABXYYNDBTLHFIE-UHFFFAOYSA-N 334.510 4.506 0 40 EJAB CCCOc1c(C)cc(NC(=O)C2(OC)CCCCCC2)cc1C 225632237 KIKLFXMMXNKDSM-UHFFFAOYSA-N 333.472 4.770 0 40 EJAB CCCOC1(C(=O)Nc2ccc(O[C@H](C)CC)cc2)CCCCC1 225656522 TVOXTNAECDIUAB-MRXNPFEDSA-N 333.472 4.932 0 40 EJAB O=C(Nc1ccc(Oc2ccccn2)cc1)[C@@H]1C[C@H]1c1ccc(F)cc1 547394073 ZMNNPKYXKCZBQA-RBUKOAKNSA-N 348.377 4.755 0 40 EJAB C[C@@H](CC(=O)c1ccc(OCCN2CCCC2)cc1)CC(C)(C)C 575358721 BWEHRWRKFSURLC-KRWDZBQOSA-N 331.500 4.806 0 40 EJAB CC1(C)CC[C@H](NC(=O)CCc2ccoc2)[C@@H](c2ccccc2)C1 1597783566 GABBQAYGMSMOFS-MOPGFXCFSA-N 325.452 4.691 0 40 EJAB CCOC(=O)c1c(-c2ccc(CC)cc2)csc1NC(=O)C(C)C 151123 KGUDAVGVRZFFRI-UHFFFAOYSA-N 345.464 4.749 0 40 EJAB CCOc1ccc2nc(NC(=O)CCCc3ccccc3)sc2c1 364499 CFNBTJUYMDKWCR-UHFFFAOYSA-N 340.448 4.656 0 40 EJAB O=C(Nc1ccc(N2CCCC2)cc1)c1ccc(Cl)cc1Cl 1393196 LWQZLAMXGZTLMM-UHFFFAOYSA-N 335.234 4.846 0 40 EJAB Cc1ccccc1CSc1nnc(-c2cccc(Cl)c2)n1C 2358644 CJCHNCCFVWQCSL-UHFFFAOYSA-N 329.856 4.736 0 40 EJAB CCOC(=O)CCn1nc(-c2ccccc2C)cc1-c1ccccc1C 2733351 FJXYMGZXLFNREL-UHFFFAOYSA-N 348.446 4.787 0 40 EJAB Clc1ccc(-c2nnc3c4ccccc4nc(Cl)n23)cc1Cl 3063789 DBYQIPZHDSTELS-UHFFFAOYSA-N 349.608 4.905 0 40 EJAB COc1cc2c(cc1OCc1ccccc1)[C@@H](CC(C)C)N(C)CC2 3848587 RZFYKKKRSXBCHL-HXUWFJFHSA-N 339.479 4.849 0 40 EJAB biogenic Cc1ccc(-c2nc(C(=O)Nc3ccc(F)cc3F)cs2)cc1 4090431 DUNQVGFOOXICCU-UHFFFAOYSA-N 330.359 4.649 0 40 EJAB CCC1(CC)O[C@H](c2cccc(OC)c2OC)Nc2ccccc21 4358220 XUOXNNSVEBZFJJ-LJQANCHMSA-N 327.424 4.860 0 40 EJAB CCc1cccc(CC)c1NC(=O)COc1ccc(C(C)C)cc1 5476434 JKPVYSXIPZHBHD-UHFFFAOYSA-N 325.452 4.952 0 40 EJAB CCCCC(=O)Nc1oc2c(C)cccc2c(=O)c1-c1cccs1 5483538 AQRBZECWYPHAIJ-UHFFFAOYSA-N 341.432 4.959 0 40 EJAB CCCOc1cccc(C(=O)Nc2nc3ccc(Cl)cc3s2)c1 6265135 ZFIYISWZYVXKEM-UHFFFAOYSA-N 346.839 4.991 0 40 EJAB O=C(/C=C/c1cccs1)Nc1ccc(OC(F)F)c(Cl)c1 7158650 ZTSGAHPPEQHVBY-GQCTYLIASA-N 329.755 4.655 0 40 EJAB COc1ccc(NC(=S)N(Cc2ccccc2)[C@@H](C)C2CC2)cc1 7561134 BDOGBRSDRKWMSN-HNNXBMFYSA-N 340.492 4.693 0 40 EJAB Cc1nc2ccccc2c(C)c1CC(=O)Nc1ccc2c(c1)CCC2 7801927 UMVMBZIEVXTXFJ-UHFFFAOYSA-N 330.431 4.522 0 40 EJAB CC[C@@H]1CCCCN1C(=S)Nc1ccc(SC(F)F)cc1 8692206 YQWOXKDXMBLRCK-GFCCVEGCSA-N 330.469 4.963 0 40 EJAB Cc1ccc(-c2nnc3sc(-c4cccc5ccccc45)nn23)cc1 8715028 HTTUHTXJIRSVMB-UHFFFAOYSA-N 342.427 4.981 0 40 EJAB CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(CC)cc2)c1 9141948 MRZRSZDACNRITD-UHFFFAOYSA-N 344.842 4.893 0 40 EJAB Cc1ccc(CNC(=O)CCc2ccc(-c3ccccc3)o2)cc1F 12995624 OULMFAZQUUDRKY-UHFFFAOYSA-N 337.394 4.643 0 40 EJAB C[C@@H](NC(=S)Nc1ccc(F)c(Cl)c1)c1ccc(F)cc1 16316030 UVRJSQILXXTZHY-SECBINFHSA-N 326.799 4.666 0 40 EJAB CN(Cc1nc(-c2ccc(Cl)cc2)no1)[C@@H]1CCc2ccccc21 29486836 FZINIYDUDKRNLP-QGZVFWFLSA-N 339.826 4.509 0 40 EJAB COc1ccccc1-c1nc(CSc2nccn2C2CC2)cs1 31204673 HJNITBCEQOGMCK-UHFFFAOYSA-N 343.477 4.642 0 40 EJAB COc1ccc([C@H](C)NC(=O)Nc2cccc(Cl)c2Cl)cc1 32609774 IKJWFKADGPVNCD-JTQLQIEISA-N 339.222 4.885 0 40 EJAB Cc1cc(C(=O)Nc2ccccc2CN(C)C2CCCCC2)c(C)o1 32903622 VBQOTAVBPFIUJF-UHFFFAOYSA-N 340.467 4.913 0 40 EJAB CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccc2cccnc2c1 40286552 RFHFFYWIFPKXMT-FQEVSTJZSA-N 349.821 4.586 0 40 EJAB O=C(Nc1ccc(N2CCCCC2)nc1)c1occc1-c1ccccc1 45828348 CUOZGXORETXXRN-UHFFFAOYSA-N 347.418 4.584 0 40 EJAB CCSc1ccccc1NC(=O)N1CCC[C@H]1c1ccncc1 47857378 GSIJSKTVTHNDRG-INIZCTEOSA-N 327.453 4.563 0 40 EJAB COc1ccccc1NC(=O)[C@@H](C)N[C@H](C)c1cccc2ccccc12 56851988 LEASASBMIQNXAC-HZPDHXFCSA-N 348.446 4.526 0 40 EJAB Cc1ccc(-c2nc3cc(-c4ccccc4Cl)sc3c(=O)[nH]2)o1 71963490 SPVJQDYHFNBZFZ-UHFFFAOYSA-N 342.807 4.873 0 40 EJAB CC[C@@H](C)Nc1ccc([C@@H]2CCCCN2C(=O)c2ccccc2)cn1 72213569 PQPUMGBUZNYLNW-APWZRJJASA-N 337.467 4.659 0 40 EJAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)Nc1ccc2c(c1)COC2 92167098 HSLXHJVGONSGBI-ZDUSSCGKSA-N 336.391 4.688 0 40 EJAB CC(C)CN1CC(O)=C(c2nc(-c3ccc(Cl)cc3)cs2)C1=N 102120487 RBPKWECDVLXXII-UHFFFAOYSA-N 347.871 4.681 0 40 EJAB Cc1cc(C(=O)O[C@H](C)c2ccc3c4c(cccc24)CC3)ccc1N 216851003 CWKHEXWZVMRZEK-CQSZACIVSA-N 331.415 4.747 0 40 EJAB Cc1ccc(C(=O)Nc2cc(N3CCCC[C@@H]3C)c(C)cc2N)cc1 216867422 KALJKHLCZOIRBH-INIZCTEOSA-N 337.467 4.517 0 40 EJAB COc1ccc(C(=O)NCCCc2cccc3ccccc23)cc1C 222683035 CHZKEYGTDNRFHA-UHFFFAOYSA-N 333.431 4.519 0 40 EJAB Cc1ccc(C)c(C(=O)Nc2ccccc2C(=O)c2ccccc2)c1 225012668 MWSYUMDJFIDQSU-UHFFFAOYSA-N 329.399 4.787 0 40 EJAB CCOc1ccc(NC(=O)[C@@]2(OCC)CCC[C@@H](C)C2)cc1Cl 225719176 KPXFCEYLTIYCDL-FZKQIMNGSA-N 339.863 4.663 0 40 EJAB COC(=O)c1ccc(Cc2ccccc2)n1Cc1ccc(Cl)cc1 226028086 SPIRNGDAAPUDAW-UHFFFAOYSA-N 339.822 4.567 0 40 EJAB Cc1ccc(OCc2ccccc2)c(C(=O)[C@@H]2O[C@H]2c2ccccc2)c1 162489 QYQBUZZABOEKLY-GOTSBHOMSA-N 344.410 4.897 0 40 EJAB Cc1ccc(NC(=O)COc2cccc3ccccc23)cc1Cl 362394 NHFFIUNNRCYWMP-UHFFFAOYSA-N 325.795 4.819 0 40 EJAB CCC(=O)N(CC[C@@H](c1ccccc1)c1ccco1)Cc1ccco1 490383 FUHPFSQPUSQHGY-IBGZPJMESA-N 337.419 4.833 0 40 EJAB biogenic CSc1ccc(C(=O)c2ccccc2CN2CCCCC2)cc1 2515501 HMIYPPGLPDDAMD-UHFFFAOYSA-N 325.477 4.625 0 40 EJAB Cc1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc1Cl 4599763 PAUIKYYQRTWLSF-UHFFFAOYSA-N 331.843 4.963 0 40 EJAB COc1ccccc1Nc1nnc(SCc2ccc(F)cc2)s1 4835814 JRWXYYOGOCQXLD-UHFFFAOYSA-N 347.440 4.722 0 40 EJAB Cc1ccc(OCC(=O)Oc2ccc(Oc3ccccc3)cc2)cc1 5929206 CIRUOIBOLFMIDA-UHFFFAOYSA-N 334.371 4.772 0 40 EJAB Cc1ccc(C(C)C)cc1OCC(=O)Nc1ccccc1OC(F)F 6329551 TYJIWWJUJDNSDR-UHFFFAOYSA-N 349.377 4.737 0 40 EJAB COc1ccc(-c2nc(NC(=O)C3CCCCC3)sc2C)cc1 6455994 DJYBFRMZEXCFAS-UHFFFAOYSA-N 330.453 4.646 0 40 EJAB c1csc(-c2noc(CSc3ccc4ccccc4n3)n2)c1 6984528 ZHBTWCSDBXBYNX-UHFFFAOYSA-N 325.418 4.639 0 40 EJAB COc1ccccc1C(=O)COc1ccc(Oc2ccccc2)cc1 7001577 PEJUTPWBINDBCZ-UHFFFAOYSA-N 334.371 4.749 0 40 EJAB Cc1ccc(NS(=O)(=O)/C=C/c2ccc(Cl)cc2)c(Cl)c1 7403984 BPELTEIOXUHCAH-CMDGGOBGSA-N 342.247 4.714 0 40 EJAB Cc1cc2nc(N[C@H](C)CCc3ccccc3)c3ccccc3n2n1 8345117 OZWDTULQPONKOT-OAHLLOKOSA-N 330.435 4.624 0 40 EJAB CCc1cccc(CC)c1NC(=O)[C@@H](CC)Oc1ccc(C)cc1 8478462 ONHPLVJGXDTWRQ-LJQANCHMSA-N 325.452 4.916 0 40 EJAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)c1 8499450 DBUYBVORYAPHIX-CYBMUJFWSA-N 337.341 4.728 0 40 EJAB O=C(Nc1cccc(Cl)c1)N(C1=NCCC1)c1ccc(F)cc1 10165988 QMRDIAMDUZITMI-UHFFFAOYSA-N 331.778 4.710 0 40 EJAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(OC)c(Cl)c1 11637308 OFVJCVNQUHNBGR-QGZVFWFLSA-N 347.842 4.762 0 40 EJAB Cc1cccc(NCC(=O)N2CC[C@@H](C)Sc3ccccc32)c1C 12527046 DDCCSCYNGHCNFV-OAHLLOKOSA-N 340.492 4.633 0 40 EJAB Cc1ccccc1CC(=O)Nc1cccc(-c2cn3ccsc3n2)c1 13537012 MDDRYTBKGSZLLU-UHFFFAOYSA-N 347.443 4.552 0 40 EJAB Cc1ccc(C(C)C)c(OCC(=O)N[C@H](C)c2ccc(F)cc2)c1 15649076 YTYUPWQJSGQKAC-OAHLLOKOSA-N 329.415 4.514 0 40 EJAB Cc1ccc(COc2ccc(/C=C3\SC(=S)N=C3O)cc2)cc1 16406750 GQDNVGOKDBWPHT-YBEGLDIGSA-N 341.457 4.903 0 40 EJAB Cc1ccc(-n2nc(C)c3c2C[C@H](c2ccc(F)cc2)CC3=O)cc1 20633011 SVRACDZGBCAMOY-INIZCTEOSA-N 334.394 4.541 0 40 EJAB CCCCC[C@H](C)NC(=O)c1cccc(OCc2c(C)noc2C)c1 20935775 OQUVFHPKZACGES-AWEZNQCLSA-N 344.455 4.569 0 40 EJAB CCc1ccccc1O[C@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1 22525421 YHVFHSJKVQUHAZ-LLVKDONJSA-N 338.234 4.962 0 40 EJAB c1ccc(CN[C@@H](c2ccc3c(c2)CCCC3)c2cccs2)nc1 22745006 ZEUBLZWKWOPMMZ-NRFANRHFSA-N 334.488 4.901 0 40 EJAB O=C(N[C@H](c1ccc2c(c1)CCCC2)c1cccs1)c1cccnc1 24277710 MXPPSMFGZLAPOM-HXUWFJFHSA-N 348.471 4.541 0 40 EJAB c1ccc2cc(Cn3c(CN4CCCC4)nc4ccccc43)ccc2c1 27789156 WBQUFIHPABPVJH-UHFFFAOYSA-N 341.458 4.834 0 40 EJAB Cc1nc(-c2ccc(NC(=O)CCc3c[nH]c4ccccc34)cc2)co1 29209344 DDLJCKZBAVZWCJ-UHFFFAOYSA-N 345.402 4.703 0 40 EJAB COc1cccc(Nc2c(-c3cccc(O)c3)nc3cc(C)ccn23)c1 35616208 UCNRQFCXEOFOMK-UHFFFAOYSA-N 345.402 4.768 0 40 EJAB C[C@@H](c1nc(-c2cccs2)no1)N(C)Cc1ccccc1Cl 40071600 BSCQOOHTAHHSNE-NSHDSACASA-N 333.844 4.645 0 40 EJAB COc1ccc([C@H](CC(C)C)NC(=O)CCc2ccccc2)cc1 44949734 JHSXTALNPYTKGI-FQEVSTJZSA-N 325.452 4.531 0 40 EJAB COc1cc(CN[C@@H](C)c2cccc(Cl)c2)cc(Cl)c1OC 60830550 LQOBCQKISBGRIP-NSHDSACASA-N 340.250 4.861 0 40 EJAB Fc1ccc2c(c1)[C@H](N1CCC(c3nc4ccccc4o3)CC1)CC2 72313262 MPPBSVSCJCLITN-LJQANCHMSA-N 336.410 4.834 0 40 EJAB O=C(O)c1ccccc1Nc1ccnc2c(Cl)c(Cl)ccc12 78401478 RZDUHUAYWBBIMN-UHFFFAOYSA-N 333.174 4.983 0 40 EJAB O=S(=O)(Cc1cccc(NCc2ccsc2)c1)C1CCCCC1 95429103 KJZQAAZVDOVQFM-UHFFFAOYSA-N 349.521 4.608 0 40 EJAB CCOP(=O)(OCC)C(F)(F)c1ccc(Br)cc1 138385142 FTVUHFDFIXBJCC-UHFFFAOYSA-N 343.104 4.765 0 40 EJAB CC[C@@H](NC(=O)COc1cc(C)ccc1C)c1ccc(C)c(C)c1 218952239 GDDYECMVDVCYEH-LJQANCHMSA-N 325.452 4.567 0 40 EJAB CCCC[C@H](C(=O)OC)N1c2c(OC)cccc2[C@@H](C)CC1(C)C 223227747 GKBMYRAXIHBEER-GOEBONIOSA-N 333.472 4.519 0 40 EJAB CC[C@H](Oc1ccc(C)cc1)C(=O)N[C@@H](C)c1cc(C)c(C)cc1C 223473185 HBECUWPNRDJHIR-RXVVDRJESA-N 339.479 4.955 0 40 EJAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(Cl)cc1F 225035551 UZSFLOMWFXQUIX-INIZCTEOSA-N 347.817 4.820 0 40 EJAB CC(C)Oc1cccc(NC(=S)N[C@H](C)c2ccc(F)cc2)c1 225474122 IERJMVSCJXFNQU-CYBMUJFWSA-N 332.444 4.661 0 40 EJAB Cc1cccc(NC(=S)NCCCSCc2ccccc2C)c1 225599613 DXUFHGUIXPISJY-UHFFFAOYSA-N 344.549 4.913 0 40 EJAB CCCOC1(C(=O)Nc2ccc(OC)c3ccccc23)CCCC1 225850963 JNWACMSIRMIERC-UHFFFAOYSA-N 327.424 4.526 0 40 EJAB Cc1cc(NC(=S)NC2(C)CCCCC2)ccc1Br 225854422 AHHMPHCYOHCLBW-UHFFFAOYSA-N 341.318 4.767 0 40 EJAB CC(C)C1(NC(=S)Nc2ccc(C(F)(F)F)cc2)CCCC1 225859475 AIQFHDTUURHGTP-UHFFFAOYSA-N 330.419 4.961 0 40 EJAB O=C(Nc1ccccc1)[C@H](NC1CCCCC1)c1ccc(Cl)cc1 408734324 MZOHFSACIVVPHT-LJQANCHMSA-N 342.870 4.942 0 40 EJAB Cc1ccc(NC(=O)c2cc3c([nH]c4ccccc43)c(C)n2)c(C)c1 246366 ILLOCCQPSDIPPW-UHFFFAOYSA-N 329.403 4.894 0 40 EJAB COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(C(C)(C)C)cc2)c1 364509 CQWLZMIXGIIJNS-UHFFFAOYSA-N 345.826 4.676 0 40 EJAB Cc1c(Cl)cccc1NC(=O)COc1cccc2ccccc12 508794 DTZQRUPEHXUCOI-UHFFFAOYSA-N 325.795 4.819 0 40 EJAB CCCCNc1ncnc2c1sc1nc(CC)c3c(c12)CCCC3 2270902 AZWPIRXTFIAKRY-UHFFFAOYSA-N 340.496 4.893 0 40 EJAB O=C(CSc1ccc(Cl)cc1)Nc1ncc(Cl)cc1Cl 2622893 JQXYBFDMSVONAP-UHFFFAOYSA-N 347.654 4.773 0 40 EJAB CC(C)(C)c1ccc(OCc2ccc(C(=O)N3CCCCC3)o2)cc1 2752940 LLKZKTCMSUDKTR-UHFFFAOYSA-N 341.451 4.782 0 40 EJAB COc1ccc2oc(C(=O)Nc3cccc(SC)c3)c(C)c2c1 3561862 COHQOLYUMOLXFH-UHFFFAOYSA-N 327.405 4.724 0 40 EJAB COc1ccc(C)cc1/C=C/C(=O)Oc1cc(Cl)ccc1Cl 5405364 BSSIGQCFHUQVOF-XBXARRHUSA-N 337.202 4.929 0 40 EJAB CC(C)CCOc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1 5938453 MLHCXNDSKBSTDW-OAQYLSRUSA-N 337.463 4.919 0 40 EJAB Cc1ccc(NC(=O)NC(=S)c2cccc3ccccc23)cc1C 6301297 HXPPTXULWUDMLK-UHFFFAOYSA-N 334.444 4.954 0 40 EJAB CN(Cc1c(F)cccc1Cl)C(=O)C12CC3CC(CC(C3)C1)C2 6936674 KBWWQNJOEJYJRG-UHFFFAOYSA-N 335.850 4.654 0 40 EJAB C[C@@H](NC(=O)c1ccc(Br)cc1)c1cc2ccccc2o1 8062416 JVVGHRMLTQDULH-LLVKDONJSA-N 344.208 4.686 0 40 EJAB Cc1cc2nc(N[C@@H](C)CCc3ccccc3)c3ccccc3n2n1 8345116 OZWDTULQPONKOT-HNNXBMFYSA-N 330.435 4.624 0 40 EJAB CCCCN(CC)Cc1c(C)nc2ccc(N(CC)CC)cc2c1O 8717360 RTKLENVHERHMBT-UHFFFAOYSA-N 343.515 4.717 0 40 EJAB O=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)C1CCCCC1 10692034 IQCTWUCLJSANOD-HXUWFJFHSA-N 346.474 4.996 0 40 EJAB Clc1ccc2oc(-c3ccccc3)c/c(=N\c3nncs3)c2c1 12374236 ZNIADVBSRUNWHF-XSFVSMFZSA-N 339.807 4.837 0 40 EJAB CC[C@H](C)c1ccc(N[C@H](c2ccsc2)P(=O)(O)O)cc1 12526551 GFRMMYOFIZTLHS-NHYWBVRUSA-N 325.370 4.550 0 40 EJAB COc1ccc2c(c1C)CCC1=C2CC[C@]2(C)C1=CC[C@H]2OC(C)=O 16249926 QDTQZEGNQUSCPP-FGZHOGPDSA-N 338.447 4.765 0 40 EJAB S=C(NCc1ccccc1)N[C@@H]1CCSc2ccc(Cl)cc21 16703942 BBCUEUKGFXZVSX-OAHLLOKOSA-N 348.924 4.541 0 40 EJAB CC[C@H](Oc1ccccc1C)C(=O)N[C@H](C)c1ccc(C)cc1C 20489980 FQVRGOFQPOIANL-MJGOQNOKSA-N 325.452 4.647 0 40 EJAB Cc1ccc(SCC(=O)N[C@H](CC(C)C)c2ccccc2)cc1 22512247 AHWIUDKLOCCZLG-LJQANCHMSA-N 327.493 4.991 0 40 EJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)c1ccc(C)cc1 30871530 RNNKPZKKYGGKTM-KDOFPFPSSA-N 331.843 4.683 0 40 EJAB C[C@@H](c1cccs1)N(C)C(=O)c1cc(-c2ccccc2Cl)on1 47455087 YGACNNRSYWMQJU-NSHDSACASA-N 346.839 4.890 0 40 EJAB O=C(Nc1cccc(OCc2cccc(F)c2)c1)OCC(F)(F)F 48288890 IUFCZEKOVOQKRP-UHFFFAOYSA-N 343.276 4.516 0 40 EJAB c1ccc2sc([C@H]3CCN(Cc4c[nH]c5ccccc45)C3)nc2c1 49168938 CLZIFNCUUCYEHZ-AWEZNQCLSA-N 333.460 4.767 0 40 EJAB biogenic,in-vitro CCCCc1nc(C)c(C(=O)Nc2cccc(N(C)CC)c2)s1 58166892 BDBXWKLAFPJZJP-UHFFFAOYSA-N 331.485 4.503 0 40 EJAB Cc1cc(NC(=S)Nc2cccc(CN3CCCC3)c2)ccc1F 71326121 HHBANMGZVQFXFI-UHFFFAOYSA-N 343.471 4.539 0 40 EJAB CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1C 72215052 NTHLSMBJSWCAGJ-KRWDZBQOSA-N 347.503 4.780 0 40 EJAB CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2C)cn1 72215143 GLJXFSGZGBTCQP-NVXWUHKLSA-N 347.503 4.778 0 40 EJAB CC(C)(C)OC(=O)N1CCC[C@H]1c1cccc(Br)c1 82610136 JNCUUJFKWXBYTB-ZDUSSCGKSA-N 326.234 4.521 0 40 EJAB C[C@H](NC(=O)/C=C/c1ccc(Cl)cc1Cl)[C@@H]1C[C@@H]2CC[C@@H]1C2 102963492 LYTBYJYOGOTVFB-PBTQDIOESA-N 338.278 4.948 0 40 EJAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCc2ccccc2Cl)c1 223474683 TXUYODYIYGDRJQ-OAHLLOKOSA-N 345.870 4.856 0 40 EJAB Cc1ccccc1OCCNC(=O)c1cc2c(ccc3ccccc32)o1 224019857 ITDUEALXFXFDIL-UHFFFAOYSA-N 345.398 4.703 0 40 EJAB CCc1ccc(O[C@@H](CC)C(=O)NC(C)(C)Cc2ccccc2)cc1 224647395 KPHGFHAUGGYLAQ-FQEVSTJZSA-N 339.479 4.544 0 40 EJAB Cc1ccccc1OCCNC(=O)[C@@H](C)Cc1cccc2ccccc12 224941734 UXXYOAAOOSXUIU-SFHVURJKSA-N 347.458 4.522 0 40 EJAB COc1ccc(C(=O)N[C@H](c2ccccc2)c2cccc(C)c2)cc1F 225394645 FDKAOQYWIUPJPT-OAQYLSRUSA-N 349.405 4.662 0 40 EJAB S=C(Nc1cccc(Br)c1)NC1CCCCCCC1 225516868 IFEYTLKMLZVXOB-UHFFFAOYSA-N 341.318 4.848 0 40 EJAB O=C(Nc1ccc(Cl)cc1Cl)c1conc1-c1ccccc1 225871344 QJFJMDYUIDZEMO-UHFFFAOYSA-N 333.174 4.901 0 40 EJAB C[C@@H](Cc1cc2ccccc2o1)NC(=O)C12CC3CC(CC(C3)C1)C2 253471905 GNPYZBQWXIAKNA-HIGJEIRPSA-N 337.463 4.696 0 40 EJAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccccc3Cl)S2)cc1 408784298 QGURZIUKQDIMJF-MUMAZLPKSA-N 344.867 4.502 0 40 EJAB O=C(Sc1cccc2ncccc12)c1ccc(Br)cc1 64501 MXOWEQIJZZTBFM-UHFFFAOYSA-N 344.233 4.930 0 40 EJAB Cc1ccccc1Nc1c(-c2c[nH]c3ccccc23)nc2ncccn12 428791 FYPIHXXJMNLDDQ-UHFFFAOYSA-N 339.402 4.930 0 40 EJAB Cc1ccc(C(=O)Nc2ncc(Cc3ccc(Cl)cc3)s2)o1 818345 GHYPUVBHQZLWTD-UHFFFAOYSA-N 332.812 4.541 0 40 EJAB Cc1onc(-c2ccccc2)c1C(=O)Nc1nc2ccccc2s1 1414960 JDIJYQRDGCNUGS-UHFFFAOYSA-N 335.388 4.512 0 40 EJAB CC(C)Oc1ccc(-c2cc(C(=O)O)c3cc(F)ccc3n2)cc1 1459160 CPUDQIWMPCACMI-UHFFFAOYSA-N 325.339 4.526 0 40 EJAB COc1ccccc1/N=c1\scc(-c2ccc(Cl)s2)n1C 2480366 IEHSOYYTTXWQCA-ICFOKQHNSA-N 336.869 4.710 0 40 EJAB O=C(N(C1CCCCC1)C1CCCCC1)C(F)(F)C(F)(F)F 3150769 ZVGOECVTKSYORJ-UHFFFAOYSA-N 327.337 4.678 0 40 EJAB CCN(CC)C(=O)/C(=C/c1ccc(OC(F)F)cc1)c1ccccc1 3171096 AKTFQGFBBJKHEI-NBVRZTHBSA-N 345.389 4.697 0 40 EJAB CCc1sc(C(=O)OCC(=O)c2c(C)c(C)cc(C)c2C)cc1C 3429995 PRSDHIYDBMJQNH-UHFFFAOYSA-N 344.476 4.892 0 40 EJAB O=C1O[C@@](Oc2ccccc2)(c2ccc(Cl)cc2)c2ccccc21 4898990 PCBLJZDVXRAMGE-FQEVSTJZSA-N 336.774 4.791 0 40 EJAB Brc1ccc(Nc2ncnc3sc4c(c23)CCC4)cc1 5030072 ODTNDISVMKCFTQ-UHFFFAOYSA-N 346.253 4.686 0 40 EJAB Cc1cccc(CN2C(=O)S/C(=C/c3ccccc3Cl)C2=O)c1 6478761 BVPFFOSOUQTNGY-MHWRWJLKSA-N 343.835 4.885 0 40 EJAB Cc1c(C(=O)Nc2nc(-c3ccccn3)cs2)oc2ccccc12 7804753 VMAZQTQKKSBCEB-UHFFFAOYSA-N 335.388 4.512 0 40 EJAB O=C(c1cccc(F)c1)N1CCc2sccc2[C@@H]1c1ccccc1 8115158 HRBXMPDTGHHFOS-IBGZPJMESA-N 337.419 4.675 0 40 EJAB CC(C)c1ccccc1NC(=O)CN(C)[C@H]1CCCc2ccccc21 8126573 QDWOPAICAFGVPC-NRFANRHFSA-N 336.479 4.758 0 40 EJAB CC(=O)Nc1ccc2oc(-c3ccc(C(C)(C)C)cc3)cc(=O)c2c1 9659957 DQSIWRSLPXOYIR-UHFFFAOYSA-N 335.403 4.716 0 40 EJAB biogenic C[C@H](Sc1ccccc1)C(=O)NCc1ccc(C(F)(F)F)cc1 12623437 HVDKBSCSSJJHEB-LBPRGKRZSA-N 339.382 4.502 0 40 EJAB C[C@@H](NC(=O)COc1ccc2ccccc2c1)c1cc2ccccc2o1 15040224 SGKOWZUHAMHVEA-OAHLLOKOSA-N 345.398 4.842 0 40 EJAB C[C@@H](NC(=O)Cc1c[nH]c2ccccc12)c1cccc2ccccc12 15741570 HGBTURFHLAQWNY-OAHLLOKOSA-N 328.415 4.741 0 40 EJAB Cc1cc(C)cc(NC(=O)CSc2nccn2C2CCCCC2)c1 15825304 HSCQOOQRLBYMNH-UHFFFAOYSA-N 343.496 4.736 0 40 EJAB C=C(c1ccccc1OCc1cc(-c2ccccc2)on1)n1ccnc1 25253365 HXIXTEXTPRFDLI-UHFFFAOYSA-N 343.386 4.636 0 40 EJAB CCCOc1ccc(/C=C/C(=O)Nc2ccccc2)cc1OCC 27167277 QIYZWEKMDWJKFV-ACCUITESSA-N 325.408 4.526 0 40 EJAB O=C(Nc1nc(-c2cccs2)cs1)C1(c2ccccc2)CC1 32981825 AGJONRRTLVLPQM-UHFFFAOYSA-N 326.446 4.542 0 40 EJAB COc1cc(-c2nc3cc(C)ccn3c2Nc2ccccc2)ccc1O 35606596 ZHFYTJHDCVAZKY-UHFFFAOYSA-N 345.402 4.768 0 40 EJAB Cc1ccc(-c2cc(C(=O)Nc3ccccc3C(F)(F)F)n[nH]2)cc1 44837763 CZGHNZVVDWUNAO-UHFFFAOYSA-N 345.324 4.656 0 40 EJAB COc1ccccc1[C@@H](C)N(C)C(=O)c1cc2ccccc2s1 57992730 RMUPCHYMYKGWQM-CYBMUJFWSA-N 325.433 4.743 0 40 EJAB Cc1cccc(CSc2nnc(COc3cccc(C)c3)o2)c1 58122905 GPIPIWVJYCQZCA-UHFFFAOYSA-N 326.421 4.558 0 40 EJAB Cc1cc(C)cc(O[C@@H](C)C(=O)N[C@@H](C)c2cc(C)ccc2C)c1 59351467 FBBGPTUICNHQJZ-ROUUACIJSA-N 325.452 4.565 0 40 EJAB CC(C)n1ccc2c(NC(=O)Cn3ccc4ccccc43)cccc21 70666438 PUCKZJIVKLQTST-UHFFFAOYSA-N 331.419 4.816 0 40 EJAB biogenic Nc1ccc(-c2nc3ccc(Cl)cc3s2)c(Br)c1 73639299 ULNKSLDDBSVSSO-UHFFFAOYSA-N 339.645 4.961 0 40 EJAB CC[C@@H](Sc1nncn1-c1ccccc1OC)c1ccccc1 78718268 YVUFARBXOUNYBT-QGZVFWFLSA-N 325.437 4.519 0 40 EJAB CCc1ccc(/C(C)=C/C(=O)NCc2nc3ccccc3s2)cc1 78876951 HDPNTAXDOUZSHO-WYMLVPIESA-N 336.460 4.578 0 40 EJAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(Cl)cc1 96586380 RFWYDKDMBLYMLM-CYBMUJFWSA-N 329.827 4.625 0 40 EJAB C/C=C/[C@@H]1OC[C@]2(COC(=O)NCCCCC)[C@@H](C)C=C(C)[C@@H]1[C@H]2C 100741754 CSSJDGXKUUQMTC-QSSKILIQSA-N 349.515 4.712 0 40 EJAB C[C@@H](c1cc(F)ccc1F)N(C)Cc1csc(-c2ccoc2)n1 108359859 YJTLHDIDWRDUJC-NSHDSACASA-N 334.391 4.874 0 40 EJAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1cc(Cl)ccc1OC 222979760 NDTAOUGGZWNSRS-QGZVFWFLSA-N 347.842 4.762 0 40 EJAB CCCO[C@@](C)(CC)C(=O)Nc1ccc(OCC)c(C(F)(F)F)c1 225838324 LKIXNCFPQOSTEH-INIZCTEOSA-N 347.377 4.638 0 40 EJAB COc1ccccc1[C@@H]1Nc2ccc(C(=O)O)cc2[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 245257956 IZWUCCUWLLDQMI-AQJGMREQSA-N 349.430 4.690 0 40 EJAB O=C1Nc2ccccc2/C1=C/c1ccccc1OCc1ccccc1 409118191 ZGAVNZFODYXIHT-RGEXLXHISA-N 327.383 4.758 0 40 EJAB O=Cc1cn(Cc2ccc(Cl)cc2Cl)nc1-c1ccccc1 67626 IOKIEACRRQJQKX-UHFFFAOYSA-N 331.202 4.718 0 40 EJAB Oc1cc(Cl)c(O)c(/C=C/COCc2ccccc2)c1Cl 1559544 WDFMGAARHUNEOU-QPJJXVBHSA-N 325.191 4.635 0 40 EJAB O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccccc1-c1ccccc1 3247572 WRUOWKQKGYHUPK-ACCUITESSA-N 343.382 4.734 0 40 EJAB O=C(Nc1nc(-c2nc3ccccc3s2)cs1)C1CCCCC1 4176327 KOFNAOTULXUKQH-UHFFFAOYSA-N 343.477 4.939 0 40 EJAB Cc1cc(Cl)ccc1OCCCC(=O)N[C@@H](C)c1ccccc1 4696110 BZVUWGKTLKZCGR-HNNXBMFYSA-N 331.843 4.685 0 40 EJAB Cc1ccc2c3c(ccc2n1)O[C@]1(C=N3)N(C)c2ccccc2C1(C)C 4707549 FEHJUTRCMLYCKS-QFIPXVFZSA-N 343.430 4.762 0 40 EJAB O=C(NC12CC3CC(CC(C3)C1)C2)c1cc(Cl)c2ccccc2n1 4973968 MIVUJJCXXLWABZ-UHFFFAOYSA-N 340.854 4.587 0 40 EJAB CN1CCC(c2ccccc2)(c2ccccc2)O[C@H]1c1ccccc1 5103503 YZIXLIRXTFSWGI-QFIPXVFZSA-N 329.443 4.981 0 40 EJAB CCOc1ccccc1NC(=O)Cc1ccc(-c2ccccc2)cc1 5464766 YOLCPQIVHOBFLP-UHFFFAOYSA-N 331.415 4.934 0 40 EJAB Cc1cccc(CSCC(=O)Nc2cccc(C(F)(F)F)c2)c1 6153012 FYXACADHCPEJJL-UHFFFAOYSA-N 339.382 4.886 0 40 EJAB O=C(NCc1ccc(Cl)cc1Cl)c1ccccc1OC(F)F 6284474 UCDBFAZHXHRAAA-UHFFFAOYSA-N 346.160 4.525 0 40 EJAB COCc1c(C(=O)N2CCC[C@H]2c2cccs2)oc2ccccc12 6847071 ZUFWASSFLUMYCV-HNNXBMFYSA-N 341.432 4.618 0 40 EJAB CCc1ccc(N(CC(=O)c2ccc(F)cc2)C2=NCCCC2)cc1 6870954 JWXQOSHQRCYOMA-UHFFFAOYSA-N 338.426 4.660 0 40 EJAB COc1cc(CNCC(C)C)ccc1OCc1ccc(Cl)cc1 6883580 OYRPQLRAUNMCPP-UHFFFAOYSA-N 333.859 4.673 0 40 EJAB Fc1ccc(CSc2nc(C3CC3)n(-c3ccccc3)n2)cc1 7736962 KMNVRGRPXYHMHG-UHFFFAOYSA-N 325.412 4.576 0 40 EJAB COc1ccc(Nc2nc3cc(C)nn3c3ccccc23)cc1Cl 7777091 UEPMDBGYQDTADT-UHFFFAOYSA-N 338.798 4.597 0 40 EJAB C[C@@H]1CCCCN1c1ccc(NC(=O)c2ccccc2Cl)cc1 9064443 FPAZAMFMNPTPEL-CQSZACIVSA-N 328.843 4.971 0 40 EJAB COc1c(C)cccc1C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 9141962 WWBHLXJJPLKIOG-UHFFFAOYSA-N 329.399 4.827 0 40 EJAB Cc1cc(C)cc(CSCC(=O)N2c3ccccc3C[C@H]2C)c1 10449641 KZBDIOUECCXRPZ-MRXNPFEDSA-N 325.477 4.514 0 40 EJAB COc1ccc(-c2nnc([C@@H](C)Nc3cccc4c3CCCC4)o2)cc1 12555057 DSKVAQGAFMBOJL-CQSZACIVSA-N 349.434 4.797 0 40 EJAB Cc1ccc(C)c2nc3c(cc12)CN(Cc1ccccc1)C[C@H](C)O3 13563750 YYXJSIWKYNEJHB-KRWDZBQOSA-N 332.447 4.635 0 40 EJAB Cc1cc(O[C@H](C)C(=O)Nc2ccc(F)cc2F)cc(C)c1Cl 14401100 DQYJYHMQYZNFOI-LLVKDONJSA-N 339.769 4.641 0 40 EJAB CCc1cc(C(=O)Nc2ccc(Br)cc2Cl)cs1 17071934 SYXJYBQHRDDOQJ-UHFFFAOYSA-N 344.661 4.979 0 40 EJAB Cc1ccc([C@@H](Cc2ccsc2)NCc2ccc(F)c(F)c2)nc1 19215468 ALNRCXVLPUNXRI-LJQANCHMSA-N 344.430 4.803 0 40 EJAB CC[C@H](NC(=O)CSCc1cccc(Cl)c1)c1ccccc1 20456776 SHPWSNMTPCUDAF-KRWDZBQOSA-N 333.884 4.841 0 40 EJAB C[C@H](NC(=O)Nc1ccccc1C(F)(F)F)c1ccc(F)cc1 20538208 WRNGEZPPRRIFHH-JTQLQIEISA-N 326.293 4.727 0 40 EJAB CC(C)c1ccc(NC(=S)N2C(=O)CSc3ccccc32)cc1 28527756 NTKFKGHDCKDZKU-UHFFFAOYSA-N 342.489 4.646 0 40 EJAB Cc1ccc([C@H](C)NC(=O)COc2ccc(C(C)(C)C)cc2)c(C)c1 30864956 FPUJSRACAJTGIO-KRWDZBQOSA-N 339.479 4.857 0 40 EJAB CC(C)c1ccccc1O[C@@H](C)C(=O)N[C@H]1CCCc2ccccc21 30871992 LOXFYUCMOYUHEG-JXFKEZNVSA-N 337.463 4.771 0 40 EJAB Cc1nc(NC(=O)c2cc(F)ccc2F)sc1-c1ccccc1 31968006 JOUDWYTWOWSRCD-UHFFFAOYSA-N 330.359 4.649 0 40 EJAB CCOP(=O)(OCC)[C@H](O)/C=C(/Cl)c1ccc(Cl)cc1 33376672 SMPMXJWZKBAUIM-SRXBQZRASA-N 339.155 4.504 0 40 EJAB Fc1ccccc1COc1ccccc1C(=S)N1CCCCC1 33676454 MKIUITXMPHJBKH-UHFFFAOYSA-N 329.440 4.566 0 40 EJAB COc1ccc(Cl)cc1CNc1ccc(Br)cc1 35180016 TVNJWRCXGHUUKY-UHFFFAOYSA-N 326.621 4.723 0 40 EJAB O=C(NCc1ccoc1)Nc1ccccc1-c1nc2ccccc2s1 58158794 OIQJRCOSJGCXDU-UHFFFAOYSA-N 349.415 4.878 0 40 EJAB C[C@@H](c1nnc(-c2ccccc2)o1)N1CCC[C@@H]1c1ccsc1 69483687 DFNQUPKLYPIEHV-XJKSGUPXSA-N 325.437 4.696 0 40 EJAB O=C1N=C(Nc2ccccc2)/C(=C/c2ccc3ncccc3c2)S1 71289083 YAGYDNVFFPTMNX-ATVHPVEESA-N 331.400 4.953 0 40 EJAB COc1ccc(C)cc1[C@@H](C)NC(=O)Nc1scnc1C(C)(C)C 75094146 NZLQIDCOCWEYNG-GFCCVEGCSA-N 347.484 4.640 0 40 EJAB O=C(CCc1ccco1)N1CCCC[C@@H]1CCCc1ccccc1 89830484 JFJBLBNPDGQYPN-LJQANCHMSA-N 325.452 4.616 0 40 EJAB Cc1csc(-c2cccc(NCc3c[nH]nc3-c3cccnc3)c2)n1 95428876 LWTVLNKKOQUVIQ-UHFFFAOYSA-N 347.447 4.516 0 40 EJAB CN(C(=O)[C@@H]1C[C@H]2CC[C@H]1C2)[C@@H](c1ccccc1)c1ccc(F)cc1 107329053 IYBCCUAWIHSZMS-MEGFKASBSA-N 337.438 4.810 0 40 EJAB COc1cccc(CCCNC(=O)c2ccccc2SC(C)C)c1 219653764 HHCGRGMNPQMRCM-UHFFFAOYSA-N 343.492 4.558 0 40 EJAB Cc1ccc(OCC(=O)N[C@H](CC(C)C)c2ccccc2)c(C)c1 222827975 NGYXOPQSOJSNFP-LJQANCHMSA-N 325.452 4.586 0 40 EJAB CCCOCc1cc(C(=O)Nc2c(C)cc(C)cc2C)ccc1OC 224419005 NPVHKCCIDFRMTA-UHFFFAOYSA-N 341.451 4.799 0 40 EJAB Cc1ccc(CCC(=O)Nc2ccc(Br)c(C)c2)cc1C 224941083 GKXFEKOWWWOFEZ-UHFFFAOYSA-N 346.268 4.946 0 40 EJAB CC(C)COc1ccc(NC(=O)C2(C)CCCC2)c2cccnc12 225881304 FNVCZEAJOOSVGR-UHFFFAOYSA-N 326.440 4.788 0 40 EJAB Cc1ccc(N(C)C(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1C 225899035 ZZWXSGAUIOINIC-UHFFFAOYSA-N 340.810 4.888 0 40 EJAB O=C1c2cc3ccccc3cc2C(=O)N1c1cccc(C(F)(F)F)c1 408734615 ZUJAQKXCEAHIBS-UHFFFAOYSA-N 341.288 4.659 0 40 EJAB C[C@H]1CCCN(Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1 1615574993 UDVAJTIFSYEKNK-SFHVURJKSA-N 331.463 4.771 0 40 EJAB Oc1ccc(Cl)c(CN2CCc3c2cccc3C(F)(F)F)c1 1654106678 STNBPEPXEBXWFE-UHFFFAOYSA-N 327.733 4.627 0 40 EJAB Cc1cc2c(C(=O)O)cc(-c3ccccc3)nc2cc1Br 1857793927 XOIGXOQFFMVDMH-UHFFFAOYSA-N 342.192 4.671 0 40 EJAB O=c1oc(-c2cccc3ccccc23)nc2sc3c(c12)CCCC3 87405 RTADOEPOCKJLSI-UHFFFAOYSA-N 333.412 4.949 0 40 EJAB O=C(Oc1cccc2ccccc12)c1ccc(Br)cc1 353777 ISYRDJAKRUCTIJ-UHFFFAOYSA-N 327.177 4.822 0 40 EJAB O=C(c1ccco1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 548700 ULJCZWDQKOAOPP-HNNXBMFYSA-N 340.766 4.518 0 40 EJAB O[C@]12c3ccccc3[C@@H]1CCCCCCCCCC21OCCCO1 1634687 KVLBPWUWERSWBG-RXVVDRJESA-N 330.468 4.629 0 40 EJAB CC[C@@]1(C)C[C@@](CCNCc2ccc(OC)cc2)(C(C)C)CCO1 2111061 IQRLISDRZDPFHJ-SFTDATJTSA-N 333.516 4.796 0 40 EJAB biogenic Clc1cccc(COn2c(-c3ccccc3)nc3ccccc32)c1 3052828 NNAYLHAHAZUFOC-UHFFFAOYSA-N 334.806 4.986 0 40 EJAB CC(C)(C)c1cnnn1-c1ccc(/C=C/c2ccc(C=O)cc2)cc1 3201224 ZEUBVMQATGCHLE-SNAWJCMRSA-N 331.419 4.548 0 40 EJAB CSc1cccc(C(=O)Nc2nc3ccc(Cl)cc3s2)c1 5222504 HXNIUIVJBQQAIB-UHFFFAOYSA-N 334.853 4.924 0 40 EJAB Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)C(F)(F)F 8053882 LATBQPMUYYXCII-UHFFFAOYSA-N 336.338 4.773 0 40 EJAB Cc1cc(C)c2oc(-c3cccc(NC(=O)C(F)(F)F)c3C)nc2c1 8053977 HWYYDSNBUHRAQH-UHFFFAOYSA-N 348.324 4.921 0 40 EJAB COc1cccc(NC(=S)N[C@@H](CC(C)C)c2ccccc2)c1 8085072 OJUYULREHXQTAY-SFHVURJKSA-N 328.481 4.769 0 40 EJAB CC(C)Oc1cccc(NC(=O)COc2ccccc2C(C)(C)C)c1 8480710 RNIMTLNIIROHFK-UHFFFAOYSA-N 341.451 4.789 0 40 EJAB CC[C@H](C)c1ccccc1OCC(=O)Nc1ccc2oc(C)nc2c1 9709957 HDXWBOCDJSXGTI-ZDUSSCGKSA-N 338.407 4.667 0 40 EJAB COc1cccc2c1N(C(C)=O)C(C)(C)c1ssc(=S)c1-2 9926590 OOOQLUXLWPYERX-UHFFFAOYSA-N 337.491 4.816 0 40 EJAB C[C@H](NC(=O)c1ccccc1NC(=O)CC(C)(C)C)c1ccccc1 12780631 MPDLRGBCIUYIMV-HNNXBMFYSA-N 338.451 4.552 0 40 EJAB Cc1ccc(NC(=O)Cc2csc(-c3ccsc3)n2)cc1F 12795446 RYOHIUPXJXSGHJ-UHFFFAOYSA-N 332.425 4.500 0 40 EJAB Cc1csc(N(C(=O)c2ccc3ccccc3n2)c2ccccc2)n1 14586807 NNJRRFPUMZNNML-UHFFFAOYSA-N 345.427 4.978 0 40 EJAB O=C(Nc1nc(-c2ccccc2)cs1)c1ccccc1OC(F)F 16026394 SXQXNIDJQCEBOA-UHFFFAOYSA-N 346.358 4.664 0 40 EJAB C[C@@H](OC(=O)/C=C/c1cnc2ccccc2n1)c1ccccc1Cl 23871444 HZWQZOWGPFCEEM-OCHBPSSRSA-N 338.794 4.601 0 40 EJAB CSc1ccc(Cl)c(C(=O)Nc2cc(-c3ccccc3)n[nH]2)c1 28243622 ZQXFBMPPWKVEGK-UHFFFAOYSA-N 343.839 4.704 0 40 EJAB CC[C@H](NC(=O)c1ccccc1OC(F)F)c1ccc(Cl)cc1 28617144 IDJCYMBZBDEGJN-AWEZNQCLSA-N 339.769 4.823 0 40 EJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1SC 30854128 SEXURHPKBXALBL-HNNXBMFYSA-N 335.856 4.858 0 40 EJAB CC(C)c1csc(NC(=O)CCSc2ccc(F)c(F)c2)n1 32810703 WHFKRSDMKPOLFT-UHFFFAOYSA-N 342.436 4.666 0 40 EJAB Cc1ccc(C(=O)N[C@@H](c2ccccc2)c2cc3ccccc3o2)cn1 32895970 CGXJHWLKKTYBHA-NRFANRHFSA-N 342.398 4.656 0 40 EJAB CCCCCCOc1ccc(C(=O)c2ccc(OC(C)=O)cc2)cc1 43209966 GWXRQFRUFKHJJE-UHFFFAOYSA-N 340.419 4.802 0 40 EJAB Cc1ccc(NC(=O)c2cc(-c3cccc4ccccc34)[nH]n2)c(F)c1 44838225 BCECDKGSVXPGOV-UHFFFAOYSA-N 345.377 4.930 0 40 EJAB Cc1cccc(C(=O)Nc2ccc(Sc3nncs3)cc2)c1C 47418634 YWRMSHBSKCAYJQ-UHFFFAOYSA-N 341.461 4.558 0 40 EJAB O=C(Nc1cc(Cl)ccc1Cl)N1CCC[C@@H]1c1ccccn1 56520387 NUCVZKABGPBEMR-OAHLLOKOSA-N 336.222 4.757 0 40 EJAB Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)c(C)c1 64982992 NXOAZZKZXUBAIK-CYBMUJFWSA-N 337.341 4.728 0 40 EJAB CC(C)Sc1ccccc1C(=O)NCCc1ccc(Cl)cc1 68960458 XKXJJEYDOUWQOC-UHFFFAOYSA-N 333.884 4.813 0 40 EJAB Cc1ccc(-c2nc(C)c([C@@H](C)N[C@H](C)c3nnc(C)o3)s2)cc1 71902709 GCUOZFAYSHLNHA-DGCLKSJQSA-N 342.468 4.530 0 40 EJAB CCc1ccc([C@H](C)NC(=O)[C@H](CC)Oc2ccc(Cl)cc2)cc1 78458477 HCYJDZVQZXCKDJ-LIRRHRJNSA-N 345.870 4.937 0 40 EJAB FC(F)(F)c1cc(Br)cc2c1ncn2[C@@H]1CCCCO1 95631101 ALDWWBLXLYZIPX-NSHDSACASA-N 349.150 4.517 0 40 EJAB C[C@H](NC(=O)c1ccc(OC2CCCC2)cc1)[C@@H]1C[C@@H]2CC[C@@H]1C2 101987502 GDIISEFXYHACFU-VZHLBOQGSA-N 327.468 4.563 0 40 EJAB CCCCCc1nnc(NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)s1 107835009 SFMMYLUGWZEKAG-WDEREUQCSA-N 349.422 4.578 0 40 EJAB Cc1ccc(C)c([C@@H](C)NC(=O)CSc2ccc(Cl)cc2)c1 113935158 XZZTYNHYSDAVQA-CQSZACIVSA-N 333.884 4.926 0 40 EJAB COc1ccc(-c2cc(Br)c(Br)s2)cc1 198733654 FTYSJEWDYXOPJU-UHFFFAOYSA-N 348.059 4.949 0 40 EJAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NC(C(C)C)C(C)C 222913316 HRHKOJVIWWXHGO-GOSISDBHSA-N 333.516 4.938 0 40 EJAB Cc1ccc(NC(=S)N[C@H](c2ccccc2)c2ccccc2C)nc1 225507572 IFKKYFPSMIHBOM-HXUWFJFHSA-N 347.487 4.774 0 40 EJAB CO[C@@H](CNC(=O)Nc1ccccc1Cl)c1ccc(Cl)s1 225709212 ARALVJLRLPMIQE-NSHDSACASA-N 345.251 4.564 0 40 EJAB Cc1ccc(NC(=S)N[C@H](c2ccc(C)cc2C)C(C)C)nc1 225766403 YXRYCSLYUBOULM-SFHVURJKSA-N 327.497 4.691 0 40 EJAB c1ccc(CC2(Cc3ccccc3)NN=C(c3ccccc3)S2)cc1 409088055 DUDZCVXAHPNAFU-UHFFFAOYSA-N 344.483 4.866 0 40 EJAB CN1[C@H]2CC[C@@H]1C[C@H](O[C@H]1C=C3C=CCC[C@H]3Cc3ccccc31)C2 1569996979 PDYXHBQNNRAJDS-FCBYNPDFSA-N 335.491 4.818 0 40 EJAB Cc1ccc2nc(-c3ccc(NC(=O)C(F)(F)F)cc3)sc2c1 198250 SGUUFUYIWSZBTI-UHFFFAOYSA-N 336.338 4.773 0 40 EJAB COc1nc(-c2ccccc2)ccc1-c1noc(-c2ccccc2F)n1 498658 QJACGJYHYRJJBM-UHFFFAOYSA-N 347.349 4.613 0 40 EJAB C[C@H](C(=O)O)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2097329 NPBNRBWMDNZEBN-URCCAWEJSA-N 346.511 4.647 0 40 EJAB C[C@@H](Oc1cccc2ccccc12)C(=O)N[C@H]1CCCc2ccccc21 5111783 HVYHOBMWIAQZCU-IERDGZPVSA-N 345.442 4.801 0 40 EJAB O=C(COc1ccc(Cl)cc1)Nc1ccc(SC(F)F)cc1 5674487 QRMQZQNDNLFEPT-UHFFFAOYSA-N 343.782 4.672 0 40 EJAB O=C(c1cccc(OCc2ccccc2)c1)N1CCCc2ccccc21 7668566 HZAONJBFYLGNJZ-UHFFFAOYSA-N 343.426 4.859 0 40 EJAB CCc1cc(-c2n[nH]c(C)c2-c2ccccc2Cl)c(O)cc1O 9089488 FRNVXSBGOOVPBZ-UHFFFAOYSA-N 328.799 4.679 0 40 EJAB CN(Cc1ncc(-c2ccc(F)cc2)o1)[C@@H]1CCCc2ccccc21 11285345 LXXOHSBPSNWPEM-LJQANCHMSA-N 336.410 4.990 0 40 EJAB Cc1ccc(CN(C(=O)c2ccc(Cl)cc2)c2ccccn2)cc1 11914555 JSXAIKLSRWKDAC-UHFFFAOYSA-N 336.822 4.890 0 40 EJAB COCCCn1c(-c2ccc(C)cc2)cs/c1=N\c1ccccc1 12438462 PRJRYMSKSXGTHT-MRCUWXFGSA-N 338.476 4.794 0 40 EJAB CCCc1cc(O)c(C/C=C(\C)CCC=C(C)C)c(O)c1C(=O)O 13383009 FAVCTJGKHFHFHJ-GXDHUFHOSA-N 332.440 4.984 0 40 EJAB Cc1cccc(O[C@H](C)C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)c1 13669718 FXFKGLCLXZRRSJ-IAGOWNOFSA-N 339.479 4.937 0 40 EJAB C[C@@H](Sc1nnc(NCc2ccco2)s1)c1ccc(F)cc1 14165448 NZFHAGBQAFVDNA-SNVBAGLBSA-N 335.429 4.736 0 40 EJAB O=C(Nc1cccc2cccnc12)c1cc(-c2ccc(Cl)cc2)on1 14395295 JMLWKKOWTJACLI-UHFFFAOYSA-N 349.777 4.796 0 40 EJAB c1csc(-c2nnc(SCc3nc4ccccc4s3)o2)c1 16633946 YMVXBTINFJLNLO-UHFFFAOYSA-N 331.447 4.700 0 40 EJAB CC1=NC(Nc2nc(-c3ccccc3)c3ccccc3n2)=NC(C)(C)C1 20170749 FGZIHNNHTZUETH-UHFFFAOYSA-N 343.434 4.708 0 40 EJAB Cc1ccc(SCCC(=O)NCc2ccc(OC(C)C)cc2)cc1 22511094 WEKWCUDWRBSVOE-UHFFFAOYSA-N 343.492 4.581 0 40 EJAB CN(Cc1cccc(Cl)c1Cl)C(=O)c1cccc2cccnc12 23490056 WXBPSIOWHFBKAZ-UHFFFAOYSA-N 345.229 4.814 0 40 EJAB Cc1ccc2c(CN(C)Cc3cccc(Cl)c3)cc(=O)oc2c1C 57395613 IQMCSHLBPUKWEO-UHFFFAOYSA-N 341.838 4.695 0 40 EJAB Cc1ccc(OCC(=O)Nc2c(C(C)C)cccc2C(C)C)cn1 63863748 WPQABYHPNOMILQ-UHFFFAOYSA-N 326.440 4.654 0 40 EJAB O=C(Nc1nccs1)N[C@H](c1ccc(Cl)cc1)c1ccsc1 66346566 JGCPJENDENYAJJ-CYBMUJFWSA-N 349.868 4.769 0 40 EJAB Cc1ccc2nc(C)c(C(=O)Nc3ccc(Cl)c(Cl)c3)n2c1 71459169 LFAOTGXVIUHNOI-UHFFFAOYSA-N 334.206 4.510 0 40 EJAB Clc1cc(-c2ccc(Br)cc2)nc(-c2cccnc2)n1 78401319 QMYRKJAWTQJMMZ-UHFFFAOYSA-N 346.615 4.622 0 40 EJAB FC(F)(F)C(F)(F)CCCOc1ccc(Br)cc1 95094061 LZKYGOIZEQFIJJ-UHFFFAOYSA-N 333.094 4.806 0 40 EJAB Cc1coc(-c2ccc(C)c(NC(=O)N3C[C@H]4CCCC[C@H]4C3)c2)n1 96471089 HYUYUXJUGHEQGV-CALCHBBNSA-N 339.439 4.612 0 40 EJAB O[C@H](CNc1nc(Cl)cc2ccccc12)c1ccc(Cl)cc1 96844875 XPZIKOKLWIRLLP-OAHLLOKOSA-N 333.218 4.687 0 40 EJAB CCc1ccc([C@@H](NC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)c2cccs2)cc1 102407548 NARHQKMDPUFVPK-TXJVSEOTSA-N 337.488 4.728 0 40 EJAB CCc1ccccc1O[C@H](C)C(=O)N[C@H](CC)c1ccc(C)c(C)c1 219295809 RDADDGPYIMYRLK-YLJYHZDGSA-N 339.479 4.901 0 40 EJAB CCOc1ccc(C(=O)Nc2ccccc2C(=O)c2ccccc2)cc1 219955300 KDYSCQRJCHYRCE-UHFFFAOYSA-N 345.398 4.569 0 40 EJAB CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OC(C)C)c(C)c1 225735823 CROCQPWKISFPEE-HXUWFJFHSA-N 335.488 4.952 0 40 EJAB CC(C)CN(Cc1ccccc1)C(=O)c1ccc2nc(Cl)oc2c1 225986244 QPGJODLCIBZGQW-UHFFFAOYSA-N 342.826 4.780 0 40 EJAB Cc1cc(C(=O)NCCc2cccs2)sc1-c1ccccc1 585152339 QPPPKOPICSMGSW-UHFFFAOYSA-N 327.474 4.758 0 40 EJAB Cc1cc(C)c2c(-n3cccc3)c(C(=O)Oc3ccccc3)sc2n1 95093 XCGJOZIZDOXXMU-UHFFFAOYSA-N 348.427 4.923 0 40 EJAB CCOc1ccccc1C(=O)Nc1nc2c(Cl)cccc2s1 363782 JFOFEBVIHFRLEX-UHFFFAOYSA-N 332.812 4.601 0 40 EJAB Cc1cccn2c(NC[C@H]3CCCO3)c(-c3ccc(Cl)cc3)nc12 904165 MEJHUYYSCXHHKT-MRXNPFEDSA-N 341.842 4.554 0 40 EJAB COc1cccc(C2N(c3ccccc3)CCN2c2ccccc2)c1 2696246 WBLGYRFPRXTHGG-UHFFFAOYSA-N 330.431 4.721 0 40 EJAB CCCC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1)CCCC2 3140848 VHSSJYNBZNGSRY-UHFFFAOYSA-N 342.464 4.618 0 40 EJAB COc1ccc(-c2nc3ncccn3c2Nc2ccc(C)cc2C)cc1 4734329 UOFBTKYOBUUZPZ-UHFFFAOYSA-N 344.418 4.765 0 40 EJAB CC1(C)c2ccccc2N2CCC(O)=N[C@]21/C=C/c1cccc(F)c1 5485603 TZKLBLRWAFSXPF-XMZCSZCVSA-N 336.410 4.693 0 40 EJAB Cc1cc(C(=O)N(C)Cc2c(F)cccc2Cl)c2ccccc2n1 7990009 GRXGCDVORZGUKY-UHFFFAOYSA-N 342.801 4.608 0 40 EJAB ClC1(Cl)[C@@H]2[C@H]3[C@@H]([C@H]4[C@H](C[C@H]21)C4(Cl)Cl)C3(Cl)Cl 8386351 LXFGXVWBHKKGFX-BEOVHNCFSA-N 340.892 4.650 0 40 EJAB O=C(Nc1ccc(F)cc1)Nc1ccc2c(c1)nc1n2CCCCC1 8425147 HLYYCXKHZSDQJM-UHFFFAOYSA-N 338.386 4.546 0 40 EJAB O=C(Nc1nc2c(Cl)c(Cl)ccc2s1)[C@H]1CC=CCC1 11377679 FFMWBRSONFJOQJ-QMMMGPOBSA-N 327.236 4.898 0 40 EJAB Cc1nn(-c2ccccc2)c(C)c1CNCc1cc(C)n(C2CC2)c1C 12788547 DPBKJYCRDIFAMZ-UHFFFAOYSA-N 348.494 4.532 0 40 EJAB CCC[C@H](C)NC(=O)c1ccc(OCc2ccccc2Cl)cc1 13687750 NBYQRPWTEKRRGD-AWEZNQCLSA-N 331.843 4.837 0 40 EJAB CCSc1ccccc1NC(=O)[C@H](CC)Oc1ccccc1C 20456376 KTEMOZLISDLJEO-INIZCTEOSA-N 329.465 4.903 0 40 EJAB CCOCCCNc1nc(-c2ccc(C)c(C)c2)cc(C(F)F)n1 36613789 QQJBNPURRSAAPB-UHFFFAOYSA-N 335.398 4.537 0 40 EJAB O=C(N[C@@H](c1ccccc1)C1CC1)N(Cc1ccc(F)cc1)C1CC1 58467231 JIZHAHFNLDHPLR-FQEVSTJZSA-N 338.426 4.651 0 40 EJAB Oc1ccc(CNc2ccc(F)c(Cl)c2)cc1Br 58615280 IXHXXTMVAPJHKB-UHFFFAOYSA-N 330.584 4.559 0 40 EJAB Cc1ccccc1NC(=O)N(CCc1ccccc1)Cc1ccccn1 62017979 MWLTYIZAOMPHKF-UHFFFAOYSA-N 345.446 4.667 0 40 EJAB Cc1nc2c(-c3ccc(Cl)cc3)cnn2c(O)c1Cc1ccccc1 101962829 KDCALUYSZPOQQU-UHFFFAOYSA-N 349.821 4.655 0 40 EJAB FC(F)(F)Oc1ccc(OCc2ccccc2Br)cc1 135004910 WHMKNKCEQCUIOR-UHFFFAOYSA-N 347.130 4.927 0 40 EJAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)Cc1ccccc1 222904461 JGBDAUBQBBLXCT-FQEVSTJZSA-N 339.479 4.800 0 40 EJAB CCC[C@@H](C)NC(=O)c1ccc(OC)c(COc2ccc(C)cc2)c1 224128288 GXSHDMQUIRUICL-MRXNPFEDSA-N 341.451 4.501 0 40 EJAB CCCOc1ccc(NC(=O)C2(OCC)CCCCCC2)cc1C 225711785 PWVZENICELWRTR-UHFFFAOYSA-N 333.472 4.852 0 40 EJAB O=C(O)c1ccc([C@@H]2Nc3c(F)cccc3[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)cc1 247384143 JWMWZZNXNPHCDS-HLQCWHFUSA-N 337.394 4.820 0 40 EJAB Cc1ccccc1[C@@H](C)Cc1nnc([C@H]2CCO[C@@H]2c2ccccc2)o1 521394013 XZJLOUKOBBBOLX-NBHGPNQESA-N 348.446 4.969 0 40 EJAB O=C(Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1)c1cccnc1 271312 YFGGFUGLVVHWDT-UHFFFAOYSA-N 349.777 4.796 0 40 EJAB COc1ccc2oc(=O)c(-c3nc(-c4ccccc4)cs3)cc2c1 273825 LHTHYCOMVMQMMR-UHFFFAOYSA-N 335.384 4.592 0 40 EJAB c1ccc(-c2cn(-c3ccccc3)c3ncnc(N4CCCC4)c23)cc1 499022 WDCQLNYTOSHRHT-UHFFFAOYSA-N 340.430 4.688 0 40 EJAB Clc1ccccc1-c1nn2c(-c3ccccc3Cl)nnc2s1 532094 HOOJYWQZVADEMC-UHFFFAOYSA-N 347.230 4.827 0 40 EJAB CCSc1nc2ccc(NC(=O)CCc3ccccc3)cc2s1 533086 CQPGURCLTLTKSC-UHFFFAOYSA-N 342.489 4.980 0 40 EJAB Cc1ccc(-c2nc3cc(NC(=O)c4ccco4)ccc3o2)cc1C 570236 RIADZIBUVLIYFR-UHFFFAOYSA-N 332.359 4.957 0 40 EJAB C[C@H](NCCCN(C)C)c1cc(C(C)(C)C)cc2c1CCC2(C)C 2126655 PZEUCIVVVWVHAI-INIZCTEOSA-N 330.560 4.810 0 40 EJAB biogenic O=C(Cc1ccc(Cl)c(Cl)c1)Nc1cccc2ncccc12 2652081 CPDVVJGPWFJQHZ-UHFFFAOYSA-N 331.202 4.723 0 40 EJAB CCCCCC[C@@]1(C)Nc2ccccc2-c2nnc(SC)nc2O1 3211833 ALKLPMOSISBIDL-SFHVURJKSA-N 344.484 4.751 0 40 EJAB O=C(CCc1c[nH]c2ccccc12)NCc1ccc(Cl)cc1Cl 3609082 HKYAZMKKGUGSQV-UHFFFAOYSA-N 347.245 4.724 0 40 EJAB CCn1c2ccccc2n2c(SCc3ccccc3Cl)nnc12 4920752 YUULDUKQPSXNAV-UHFFFAOYSA-N 342.855 4.650 0 40 EJAB Cc1ccc([C@](O)(CCN2CC[C@@H]3CC[C@@H](C3)C2)c2ccccc2)cc1 4934794 BXLMOHLIEPHHHR-HFMPRLQTSA-N 349.518 4.743 0 40 EJAB O=C1OC(c2cccs2)=N/C1=C/c1ccc2oc3ccccc3c2c1 5397665 OXXYPYZTPUJVGP-RVDMUPIBSA-N 345.379 4.992 0 40 EJAB CC(C)Cc1cc2c(cc1O)CC[C@H]1[C@@H]2CC[C@@]2(C)[C@@H](O)CC[C@H]12 6256180 NFBYXABUAHVOLX-CLOMZQOJSA-N 328.496 4.808 0 40 EJAB CC[C@@H](C)Nc1nc(-c2cccnc2)nc2sc3c(c12)CCCC3 7004692 GTZTUIPZCQQTPK-GFCCVEGCSA-N 338.480 4.843 0 40 EJAB Cc1cc2nc(Oc3cccc4c3OC(C)(C)C4)c3ccccc3n2n1 7737789 AFCGUEOBOCMXAF-UHFFFAOYSA-N 345.402 4.697 0 40 EJAB Cc1cc(C)cc(-c2nc3cc(NC(=O)C(F)(F)F)ccc3o2)c1 8071085 ZSDZATOBQPNPJH-UHFFFAOYSA-N 334.297 4.612 0 40 EJAB Cc1csc(N2N=C(c3cccs3)C[C@H]2c2ccccc2)n1 9305701 FSYDEUXWXUTLNM-HNNXBMFYSA-N 325.462 4.869 0 40 EJAB Cc1ccc(CNC(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)cc1 9533209 DIMKMBNNCZFKBS-ZDUSSCGKSA-N 336.357 4.574 0 40 EJAB Fc1ccc(CSc2nnc(Nc3cccc(F)c3)s2)cc1 12742220 QRJYJLCDBOXHRC-UHFFFAOYSA-N 335.404 4.852 0 40 EJAB COc1cccc(NC(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)c1 12806324 UVEOTUXWCJWIGR-CYBMUJFWSA-N 334.419 4.554 0 40 EJAB C[C@H](Oc1cccc2ccccc12)C(=O)N1CCCc2ccccc21 13709560 HBWAAWHFEGERST-INIZCTEOSA-N 331.415 4.587 0 40 EJAB C[C@@H](NC(=O)c1cccnc1Cl)c1ccc(Cl)c(Cl)c1 14113504 GWJCZRZQPRYTIN-MRVPVSSYSA-N 329.614 4.533 0 40 EJAB O=C(Cc1csc(-c2ccccc2)n1)Nc1cccc2cccnc12 14137377 BGXDHTFGQVQGGP-UHFFFAOYSA-N 345.427 4.540 0 40 EJAB O=C(/C=C/c1cccs1)N[C@H]1CCSc2ccc(Cl)cc21 16298601 ANJFYPNRUAGZOO-YVZNUBBCSA-N 335.881 4.768 0 40 EJAB CCOc1ccc(-c2cc(C(=O)Oc3cccc(C)c3C)no2)cc1 20896780 BQPVNYOHGBLCDV-UHFFFAOYSA-N 337.375 4.576 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)c2c(C)nn(-c3ccccc3)c2C)c(C)c1 28237168 NKTPYYROWRBJJQ-MRXNPFEDSA-N 347.462 4.597 0 40 EJAB Cc1cc(C(=O)N(c2nc3ccccc3s2)c2ccccc2C)no1 84244046 LADZBVJCSQTPNM-UHFFFAOYSA-N 349.415 4.880 0 40 EJAB C[C@@H]1c2ccsc2CCN1C(=O)NCc1csc2ccccc12 84718216 MSAKEPQBVWQDIS-GFCCVEGCSA-N 342.489 4.792 0 40 EJAB CC(C)C[C@@H](CSC(F)(F)F)NC(=O)OCc1ccccc1 95918489 QTZODAZXTOJKHE-ZDUSSCGKSA-N 335.391 4.581 0 40 EJAB C[C@H](c1ccc(Cl)c(Cl)c1)S(=O)(=O)Cc1cccc(F)c1 95962039 RFYJMRLEFFGRHE-SNVBAGLBSA-N 347.238 4.809 0 40 EJAB O=C(CCc1cccc2ccccc12)NCCCc1ccc(F)cc1 222671936 KMAOSLMQWOVAFS-UHFFFAOYSA-N 335.422 4.661 0 40 EJAB COc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1Cl 223000595 ZKOLMGTWYYHQOT-ZDUSSCGKSA-N 343.854 4.718 0 40 EJAB CC1(C)C[C@H](NC(=S)Nc2ccc(Cl)cc2)c2ccccc2O1 225575477 DOLXBXNNXWMMOY-HNNXBMFYSA-N 346.883 4.929 0 40 EJAB Cc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)cc1 225791947 XNEHKTJCWJOXMD-IRXDYDNUSA-N 337.463 4.519 0 40 EJAB CCC[C@@](C)(OC)C(=O)Nc1ccc(OC(C)C)c2ccccc12 225797740 IRFDIQGNCGEQPL-HXUWFJFHSA-N 329.440 4.771 0 40 EJAB O=c1cc(CSCc2ccccc2C2CC2)c2ccc(O)cc2o1 1643854910 AGCMWLSHGKCFTJ-UHFFFAOYSA-N 338.428 4.809 0 40 EJAB COC(=O)c1ccc(Oc2c(C)cccc2C)c(Br)c1 1776011082 YLBIKELTMLMTCE-UHFFFAOYSA-N 335.197 4.645 0 40 EJAB COc1ccc(-c2c(C)c3cc(Br)ccc3oc2=O)cc1 57980 XMECRLXOTKEWPI-UHFFFAOYSA-N 345.192 4.540 0 40 EJAB biogenic CCOC(=O)c1oc2ccccc2c1NC(=O)c1ccccc1Cl 93172 YVSOVMSIOCJTNJ-UHFFFAOYSA-N 343.766 4.515 0 40 EJAB Cc1cccc(C)c1NC(=O)/C(Br)=C/c1ccccc1 113617 UTQHYLZTZIKYGY-PTNGSMBKSA-N 330.225 4.678 0 40 EJAB FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc(N2CCCCC2)n1 213218 PVLSOPDUNIWDOM-UHFFFAOYSA-N 341.764 4.806 0 40 EJAB COc1ccc2nc3sc(C(=O)c4ccc(C)cc4)c(N)c3cc2c1 422051 KWEXYNYURTZQPX-UHFFFAOYSA-N 348.427 4.580 0 40 EJAB Cc1ccc(C(=O)N2N=C(c3ccccc3)C[C@H]2c2ccco2)cc1 547328 DYIBOCRQIJQTTP-IBGZPJMESA-N 330.387 4.580 0 40 EJAB C[C@H](CN1CCCC1)[C@](O)(c1ccc(Cl)cc1)C1CCCCC1 1698652 SYKZFXRPVKSEHD-OXQOHEQNSA-N 335.919 4.840 0 40 EJAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1c(F)cccc1F 3126696 VYVBHAWOABBRJR-LBPRGKRZSA-N 333.378 4.668 0 40 EJAB Cc1[nH]c2ccccc2c1[C@@H]1[C@H](CCNC(=O)c2ccco2)C1(C)C 3765613 RYNNDFMUPGRFQM-KXBFYZLASA-N 336.435 4.629 0 40 EJAB O=C(/C=C/c1cccc(C(F)(F)F)c1)NC12CC3CC(CC(C3)C1)C2 5506173 KGROPYRYXSJIER-SNAWJCMRSA-N 349.396 4.804 0 40 EJAB Cc1cc(OCC(=O)N[C@@H](c2cccs2)C(C)C)ccc1Cl 7078621 VQPTWBPCFHFPAV-QGZVFWFLSA-N 337.872 4.602 0 40 EJAB CCSc1ccccc1C(=O)Nc1ccc(OC(F)(F)F)cc1 7211324 SSALXWXSVHVUHI-UHFFFAOYSA-N 341.354 4.950 0 40 EJAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)SCc2ccc(Cl)cc2)c1C 7454695 YKCJWNKXEKJBQD-ZDUSSCGKSA-N 349.883 4.992 0 40 EJAB S=C(Nc1ccc(OCc2ccccc2)cc1)NC1CCCCC1 7522044 ULHRRZYKVZDARH-UHFFFAOYSA-N 340.492 4.885 0 40 EJAB CC(C)[C@H]1C[C@](CCNCc2ccco2)(Cc2ccccc2)CCO1 9047508 FTYLBMAHZDXPAM-YADHBBJMSA-N 341.495 4.823 0 40 EJAB Cc1csc2nc(-c3cccc(NC(=O)c4ccccc4)c3)cn12 10250850 OXFZSOOEYUZEMR-UHFFFAOYSA-N 333.416 4.624 0 40 EJAB CC(C)(C)C(=O)COC(=O)c1ccccc1SCc1cccs1 12900057 FXGUPQRDKYURJR-UHFFFAOYSA-N 348.489 4.812 0 40 EJAB Cc1ccc(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)c(Cl)c1 13006079 JYRWTYKIYZTAJX-UHFFFAOYSA-N 341.838 4.739 0 40 EJAB CSc1cccc(NC(=O)[C@H](C)Oc2cccc3ccccc23)c1 13709182 LXQVORNGCDABCD-AWEZNQCLSA-N 337.444 4.968 0 40 EJAB C[C@@H](CCc1ccccc1)NC(=O)[C@H](C)Oc1cccc2ccccc12 13709469 BEPMIORKXPXNBJ-ROUUACIJSA-N 347.458 4.745 0 40 EJAB Cc1ccc(OCCS[C@H](C)C(=O)Nc2cc(C)ccc2C)cc1 15492215 MWESJMVCLJTBLI-QGZVFWFLSA-N 343.492 4.751 0 40 EJAB COc1ccc([C@H]2CCCN2C(=O)c2ccc3c(c2)CCCC3)cc1 15574312 HNWDRPSTVKPNFG-OAQYLSRUSA-N 335.447 4.551 0 40 EJAB Cc1nc(-c2cccs2)sc1C(=O)N1c2ccccc2C[C@@H]1C 17334778 MVYBSZNXPLLCNL-NSHDSACASA-N 340.473 4.771 0 40 EJAB COc1ccc(NC(=O)CSCc2cc(C)cc(C)c2)cc1Cl 20237951 VAKZZTUVJGIEJF-UHFFFAOYSA-N 349.883 4.837 0 40 EJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCc2ccccc2C1 30854983 BMTROBQBOHUYGR-GOSISDBHSA-N 345.895 4.796 0 40 EJAB Cc1ccc(C(=O)Nc2ccc(-n3nc(C)c(Cl)c3C)cc2)s1 32611504 COVQNQBJGCLVMA-UHFFFAOYSA-N 345.855 4.765 0 40 EJAB COc1cc(CNc2ccc(F)c(Cl)c2)cc(Cl)c1OC 35018417 AHCIGAFSACSIPJ-UHFFFAOYSA-N 330.186 4.762 0 40 EJAB Cc1cc(NCCc2ccccc2)n2nc(-c3ccccc3)c(C)c2n1 40216601 SYIQAVINRUJLOJ-UHFFFAOYSA-N 342.446 4.668 0 40 EJAB COc1ccc(NC(=O)Nc2cc(Cl)ccc2Cl)c(C)c1 51355887 SPKOHTBBEWDKLT-UHFFFAOYSA-N 325.195 4.954 0 40 EJAB Cc1cc2oc(=O)cc(CN3CC=C(c4ccccc4)CC3)c2cc1C 57406459 AWZJZWOYQNTPIB-UHFFFAOYSA-N 345.442 4.699 0 40 EJAB CC(C)N1CCC(c2cncc(-c3cccc(C(F)(F)F)c3)n2)CC1 72359297 ITQRDTVBHNPWTR-UHFFFAOYSA-N 349.400 4.750 0 40 EJAB O=C(C[C@H]1OC(=O)c2ccccc21)Nc1ccccc1-c1cccs1 78276241 RHWUKUXEMCRWRZ-QGZVFWFLSA-N 349.411 4.655 0 40 EJAB O=C(Nc1ccccc1-c1ccccc1)N[C@@H]1COc2ccccc21 84562832 APEINCLOFJWYQQ-LJQANCHMSA-N 330.387 4.609 0 40 EJAB COc1ccc2cc(C(=O)c3ccccc3Br)ccc2c1 95917085 IUEXLPNADOBGHI-UHFFFAOYSA-N 341.204 4.842 0 40 EJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(SC)c1 216340974 VGJILXCZVWTZLW-INIZCTEOSA-N 335.856 4.858 0 40 EJAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccccc1C 222912419 AGRWZFZQNQRZKJ-HXUWFJFHSA-N 339.479 4.766 0 40 EJAB C[C@@H](NC(=O)c1ccc(Cl)cc1F)c1ccc2c(c1)CCCC2 223000453 AJUMLSHLWGRKSA-GFCCVEGCSA-N 331.818 4.849 0 40 EJAB CN1CCC[C@@H]1CCOc1ccccc1Oc1cccc(Cl)c1 257215448 CQDKZWFIABNYJD-MRXNPFEDSA-N 331.843 4.995 0 40 EJAB CC(=O)N[C@@H]1C[C@H](c2ccc(Cl)c(Cl)c2)O[C@@H]2CCCC[C@@H]12 257312852 UPVFKBAAPYDIDM-WBQNTZJQSA-N 342.266 4.518 0 40 EJAB CCOP(=O)(OCC)C(F)(CC)P(=O)(OCC)OCC 306145569 ISQZUPZSFHTGGC-UHFFFAOYSA-N 334.261 4.552 0 40 EJAB Cc1nc(-c2cccc(N[C@@H]3CCN[C@H](c4ccccc4)C3)c2)oc1C 572510841 WBZSAIYPEBRCGK-RTWAWAEBSA-N 347.462 4.864 0 40 EJAB CSC1CCN(C(=O)Nc2c(C)cc(C(F)(F)F)cc2C)CC1 603168123 NNCKRFLEYFATER-UHFFFAOYSA-N 346.418 4.682 0 40 EJAB O=C(Nc1ccccc1NCC1CCCCC1)c1ocnc1C(F)F 626415428 ASEROYQHPXMAFJ-UHFFFAOYSA-N 349.381 4.857 0 40 EJAB CC(C)(C)[C@@H]1CCc2nc(NC(=O)Cc3ccsc3)sc2C1 1520519271 HBUMHOMOMYRDJS-GFCCVEGCSA-N 334.510 4.537 0 40 EJAB O=C(NCC1(c2ccsc2)CC1)Nc1ccccc1C(F)(F)F 1888930646 ORWDQBFQBDVRRY-UHFFFAOYSA-N 340.370 4.620 0 40 EJAB CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1cc(C)cc(C)c1 505957 GEZURQONAXKFNK-HNNXBMFYSA-N 340.492 4.944 0 40 EJAB COc1cc2nncc(SCc3ccc(Cl)cc3)c2cc1OC 1693175 ZJUYBBVBNRLVHV-UHFFFAOYSA-N 346.839 4.593 0 40 EJAB Cc1c(C(=O)C(F)(F)F)c2ccccc2n1CCOc1ccccc1 2478166 OJYBHVFUYSJXGB-UHFFFAOYSA-N 347.336 4.774 0 40 EJAB O=C(Nc1cccc(-c2nc3cccnc3s2)c1)C1CCCCC1 2961469 QEJMZUDNDZNECK-UHFFFAOYSA-N 337.448 4.877 0 40 EJAB CSc1nc2ccc(NC(=O)C3(c4ccccc4)CC3)cc2s1 3405374 ODXANKARJXNWRK-UHFFFAOYSA-N 340.473 4.689 0 40 EJAB O=C(CCc1ccccc1)Nc1cccc(-c2nc3ccccc3[nH]2)c1 4034031 KEOJEKMHIKXMRH-UHFFFAOYSA-N 341.414 4.801 0 40 EJAB O=C(Nc1ccccc1C(=O)Cc1cccs1)c1ccc(F)cc1 4788455 ABQXSHNIKQCWOH-UHFFFAOYSA-N 339.391 4.565 0 40 EJAB Brc1ccc(Nc2ncnc3c2oc2ccccc23)cc1 4869700 BQJXPHGGNIWPCW-UHFFFAOYSA-N 340.180 4.882 0 40 EJAB O=C(O)c1cc(N/N=C/c2ccc(Cl)cc2Cl)ccc1Cl 4923119 BRUZCPZWUODARU-CNHKJKLMSA-N 343.597 4.791 0 40 EJAB O=C(Nc1ccc(F)cc1)C1[C@@H]2CC[C@H]3[C@@H](CC[C@@H]12)C3(Cl)Cl 5055154 NLTXPOMUPHQBKJ-ARJVPZMDSA-N 342.241 4.620 0 40 EJAB O=C1S/C(=C\c2c[nH]c3ccccc23)C(=O)N1c1ccc(F)cc1 5552708 FZFAHLBWRBVQDW-SXGWCWSVSA-N 338.363 4.548 0 40 EJAB CCCNS(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C 5591238 ROGVSFAHZBTDGL-UHFFFAOYSA-N 325.518 4.745 0 40 EJAB Cc1ccccc1CSCc1nnc(S)n1C1CCCCC1 6789647 WAWUBYNIEVHPGH-UHFFFAOYSA-N 333.526 4.814 0 40 EJAB COc1cc(CNC2CCCCC2)ccc1OCCc1ccccc1 7540027 NDVWXHXGIFQQPU-UHFFFAOYSA-N 339.479 4.739 0 40 EJAB CCCc1nnc(SCc2ccc(Cl)cc2Cl)n1CC 7605107 XSFDWHKWFMBIHT-UHFFFAOYSA-N 330.284 4.850 0 40 EJAB COc1ccc(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)cc1 7935388 VIZQFURPHFVTLX-LBPRGKRZSA-N 335.856 4.776 0 40 EJAB Cc1cccc(-n2c(C)nnc2S[C@H](C)c2ccc(F)cc2)c1 8427793 VNZAMDUUMABYJJ-CYBMUJFWSA-N 327.428 4.877 0 40 EJAB C[C@H](c1ccccc1)N1C(=O)c2ccccc2N[C@H]1c1cccc(O)c1 8719564 OUIGPQRSUZBJQS-QVKFZJNVSA-N 344.414 4.720 0 40 EJAB CC(C)Sc1nc2c(c(=O)[nH]1)[C@H](C1CCCC1)Cc1ccccc1-2 9667338 JUEYZSRDJXQDCM-INIZCTEOSA-N 340.492 4.767 0 40 EJAB CC(C)Nc1nnc(SCc2csc(-c3ccccc3)n2)s1 9921463 GTXYDSJVHGXXFZ-UHFFFAOYSA-N 348.522 4.774 0 40 EJAB CC(C)CC(=O)N1CCCCC[C@@H]1c1cc(-c2cccs2)on1 12185375 SQBAPOKYSATJHC-OAHLLOKOSA-N 332.469 4.893 0 40 EJAB Cc1nc(-c2ccc3c(c2)CCN3Cc2cccc(F)c2F)cs1 12543783 QPTMYOKILBRLEM-UHFFFAOYSA-N 342.414 4.959 0 40 EJAB COc1cccc(NC(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)c1 13048519 UODRPBAPGXGYKI-OAQYLSRUSA-N 346.430 4.915 0 40 EJAB c1ccc(Cc2nn3c(-c4ccccc4)nnc3c3ccccc23)cc1 13628201 MXSPLXCTHVYFIB-UHFFFAOYSA-N 336.398 4.535 0 40 EJAB COc1cc2ccccc2cc1C(=O)N[C@H](C)CCc1ccccc1 14909945 DCSXHVTUCBWTQS-MRXNPFEDSA-N 333.431 4.600 0 40 EJAB Cc1nc(-c2cccs2)c(CCC(=O)NC2CCCCCC2)s1 19819579 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CC(C)c1cnc(-c2ccc(NC(=O)[C@@H]3C[C@H]3c3cccnc3)cc2)o1 71909707 IGBKDDCGSDWKMD-ZWKOTPCHSA-N 347.418 4.602 0 40 EJAB Cc1cc(CNC(=O)OC(C)(C)C)cnc1SCc1ccccc1 72222406 VUZRFJZYIBVIJD-UHFFFAOYSA-N 344.480 4.707 0 40 EJAB CCOc1cc(-c2nc(-c3ccc(C(C)(C)C)cc3)n[nH]2)ccc1O 85384704 DYDWKAAUDMOPCP-UHFFFAOYSA-N 337.423 4.541 0 40 EJAB Cc1ccccc1-c1nn2c(-c3cc4ccccc4o3)nnc2s1 96193776 GHAWCXDQSYSNEK-UHFFFAOYSA-N 332.388 4.574 0 40 EJAB Cc1cccc(C(=O)N2N=C(c3ccco3)C[C@@H]2c2cccc(C)c2)c1 97165201 JENRKARROLJRBH-HXUWFJFHSA-N 344.414 4.888 0 40 EJAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(F)c(F)c1 113970050 FFHJUKYILCOZTB-INIZCTEOSA-N 339.769 4.723 0 40 EJAB CC[C@H](NC(=O)CSCc1ccc(F)cc1)c1ccc(C)cc1C 219263017 ZCKOOIMQVNJNLT-IBGZPJMESA-N 345.483 4.943 0 40 EJAB CC(C)Oc1ccccc1C(=O)NC(c1ccccc1)c1ccccc1 219736765 HZMIENVSOKRXTM-UHFFFAOYSA-N 345.442 4.993 0 40 EJAB CC[C@@H](NC(=O)c1ccccc1OC(C)C)c1ccc(C)cc1C 219745588 KBYUEBCIFUKSIO-LJQANCHMSA-N 325.452 4.972 0 40 EJAB CC(C)Oc1ccccc1C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 222980643 QBQWPZSEHYSHKA-INIZCTEOSA-N 337.463 4.844 0 40 EJAB C[C@@H](Sc1ccccc1)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 223153490 KLLZFSHNCANXHJ-HUUCEWRRSA-N 325.477 4.533 0 40 EJAB CC(C)n1c(=O)sc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 225129572 NOSVMYNYFAFVRI-UHFFFAOYSA-N 346.839 4.550 0 40 EJAB CCOc1c(C)cc(NC(=O)C2(OCC)CCC(C)CC2)cc1C 225721354 YRIFXXODDFQLMZ-UHFFFAOYSA-N 333.472 4.626 0 40 EJAB Cc1ccc(OC[C@H](C)NC(=S)Nc2ccccc2Cl)cc1C 225789071 FSXNTDUVHCFKPT-AWEZNQCLSA-N 348.899 4.711 0 40 EJAB C[C@@]1(NCc2ccc(Oc3cnccn3)cc2)CCCc2ccccc21 519202948 HQHOWGDHAFFKAS-JOCHJYFZSA-N 345.446 4.610 0 40 EJAB C[C@@]1(c2ccccc2)CCCN(Cc2ccc3oc(C(=O)O)cc3c2)C1 566683394 BBLZDURQYGTZHN-JOCHJYFZSA-N 349.430 4.685 0 40 EJAB C[C@H]1CCN(Cc2cc(C(=O)O)ccc2Cl)CC12CCCCC2 577642431 GBDCPQVICJQNKA-AWEZNQCLSA-N 335.875 4.831 0 40 EJAB C[C@H](Nc1ccc(NC(=O)N2CCCCCC2)cc1)[C@@H]1CC1(F)F 585141462 WLAJWTIMFWENNZ-BBRMVZONSA-N 337.414 4.550 0 40 EJAB Cc1ccc(OC(=O)c2ccc3c(c2)-c2ccccc2C3=O)cc1C 240417 CIAOSSGOZKLZQT-UHFFFAOYSA-N 328.367 4.734 0 40 EJAB C[C@H](S[C@@H]1Cc2cc(Cl)ccc2Sc2ccccc21)C(N)=O 346652 HJURBEHONKUNEP-MGPLVRAMSA-N 349.908 4.695 0 40 EJAB CC(C)=CCCC1=CC[C@@H]([C@@H]2OC[C@H](CN3CCCCC3)O2)[C@H](C)C1 4026388 XIHJFMFAIYGPCL-FVTFTPSCSA-N 347.543 4.933 0 40 EJAB COc1ccccc1[C@H]1Nc2c(C(=O)O)cccc2[C@H]2[C@H]3CC[C@H](C3)[C@H]12 4151486 CNVSMRIFPOSVDX-PGDJQEENSA-N 349.430 4.690 0 40 EJAB Cc1cccc(C2=N/C(=C\c3c(Cl)cccc3Cl)C(=O)O2)c1 4534859 SMGFPVNCLAXNPS-DHDCSXOGSA-N 332.186 4.646 0 40 EJAB Cc1ccc(C2=N/C(=C\c3c(Cl)cccc3Cl)C(=O)O2)cc1 5543826 IUOLYTFMYAESKJ-DHDCSXOGSA-N 332.186 4.646 0 40 EJAB O=C(/C=C/c1ccco1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 5716029 AFQLHCVLNQNGET-ONEGZZNKSA-N 349.230 4.969 0 40 EJAB Cc1ccc(-c2nc(NC(=O)c3cccc(F)c3)sc2C)cc1 6215037 KEDIZNIMOBKONP-UHFFFAOYSA-N 326.396 4.818 0 40 EJAB COc1cccc(C(=O)OC2c3ccccc3-c3ccccc32)c1OC 6509918 ALEBMVWBZXEMMV-UHFFFAOYSA-N 346.382 4.631 0 40 EJAB CCCCOc1ccc(C(=O)Nc2cc(-c3ccccc3)no2)cc1 6811474 FBRZXTOJPQRYJR-UHFFFAOYSA-N 336.391 4.773 0 40 EJAB CC(C)[C@@H](NC(=O)CCc1nc2ccccc2s1)c1cccs1 7078456 GLQNSSNZSRJQQB-GOSISDBHSA-N 344.505 4.804 0 40 EJAB Cc1cc(Cl)c(C)c(S(=O)(=O)Nc2ccccc2F)c1Cl 7402794 ATBKLMXRYIWZCZ-UHFFFAOYSA-N 348.226 4.550 0 40 EJAB OCc1cccc(Nc2ncnc3sc(-c4ccccc4)cc23)c1 7981429 PLMMSLGEDOOGEC-UHFFFAOYSA-N 333.416 4.594 0 40 EJAB O=C(Cc1noc2ccccc12)Nc1ccc(-c2ccccc2)cc1 8007898 YPQUDNSLKIAJNJ-UHFFFAOYSA-N 328.371 4.676 0 40 EJAB O=C(Nc1cccc(F)c1)c1cc(-c2ccncc2)nc2ccccc12 14207693 FQXZPCCBOVOJAQ-UHFFFAOYSA-N 343.361 4.688 0 40 EJAB CC1=Nc2c(c(C)nn2-c2ccc(F)cc2)[C@@H](c2cccnc2)S1 15085602 HKICSGCWTYQILE-QGZVFWFLSA-N 338.411 4.601 0 40 EJAB ClC1(Cl)C[C@H]1CSc1nnc(-c2c[nH]c3ccccc23)o1 15355194 OARDMZDQRLZWPG-QMMMGPOBSA-N 340.235 4.504 0 40 EJAB Cc1cc(C)cc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(C)c2)c1 20138834 VQLXKHCHEDGDOZ-UHFFFAOYSA-N 335.403 4.616 0 40 EJAB CC[C@H](NC(=O)[C@@H](C)Sc1ccc(C)cc1)c1ccc(OC)cc1 23649835 SVNAOPBNGGJOEO-BEFAXECRSA-N 343.492 4.752 0 40 EJAB O=C(NC1CCCCCC1)c1ccc(CN2CCc3ccccc32)cc1 30755393 BQJYISYPJMICJV-UHFFFAOYSA-N 348.490 4.702 0 40 EJAB CC[C@@H]1c2ccsc2CCN1C(=O)Nc1nc2ccccc2s1 31094997 QWFSFIXPTKGGDI-CYBMUJFWSA-N 343.477 4.899 0 40 EJAB C[C@H](N[C@@H]1CCc2ccccc21)C(=O)Nc1ccc(Cl)cc1Cl 32851131 DCEXNQQVSQZKPR-MEDUHNTESA-N 349.261 4.598 0 40 EJAB O=C(N[C@@H]1CCCc2ccccc21)[C@@H]1CCC[C@H](C(F)(F)F)C1 40134520 BHVLVJYKEAOAQT-IJEWVQPXSA-N 325.374 4.549 0 40 EJAB Cc1cc2cc(NC(=O)c3c(-c4ccccc4)noc3C)ccc2[nH]1 48301078 OBTIOIGXEODXRX-UHFFFAOYSA-N 331.375 4.692 0 40 EJAB Cc1cccc(OCCSCC(=O)Nc2ccc(C)c(Cl)c2)c1 48373842 WUYMFJJMMYZHIZ-UHFFFAOYSA-N 349.883 4.708 0 40 EJAB Cc1cn2nc(NCCC(c3ccccc3)c3ccccc3)sc2n1 58380469 KKPXYOFXNGIOGW-UHFFFAOYSA-N 348.475 4.733 0 40 EJAB CC(=O)Nc1ccc(NC(=O)Nc2cccc(C)c2C)c(Cl)c1 72282551 FWSWKQCOFZJQOG-UHFFFAOYSA-N 331.803 4.559 0 40 EJAB O=C(CCc1ccccc1)N1N=C(c2ccco2)C[C@@H]1c1ccccc1 75110294 NYERKYYTNSJZKV-HXUWFJFHSA-N 344.414 4.590 0 40 EJAB CCOc1ccc(-c2nc(S)c(-c3ccc(F)cc3)[nH]2)cc1OC 101415950 HCCQEVQOHQLPLC-UHFFFAOYSA-N 344.411 4.579 0 40 EJAB C[C@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(SC(F)F)nnc1-c1ccco1 103941867 GMWJMRKOXMIECE-NOOOWODRSA-N 339.411 4.850 0 40 EJAB O=C(c1cccc(Br)c1)c1ccc2c3c(cccc13)CC2 158716779 JMNCJAGZFRRQKY-UHFFFAOYSA-N 337.216 4.932 0 40 EJAB O[C@@H](c1cccc(Br)c1)c1ccc2c3c(cccc13)CC2 158884850 UJTZLPZPTVLQTG-IBGZPJMESA-N 339.232 4.783 0 40 EJAB Cc1ccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1 218970859 LTTUCFDRSPIMOO-DLBZAZTESA-N 339.479 4.937 0 40 EJAB O=C(c1ccc2[nH]ccc2c1)N1CCS[C@@H](c2cccs2)CC1 219505723 XPRNTOARWUUOLG-QGZVFWFLSA-N 342.489 4.550 0 40 EJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(F)cc1F 223581581 DPNLGIWBZIUZHO-IBGZPJMESA-N 345.389 4.640 0 40 EJAB Cc1ccc(Cl)cc1C[C@H](Oc1cccc2ccccc12)C(=O)O 225078014 OIYAVIZRBSRRDS-IBGZPJMESA-N 340.806 4.876 0 40 EJAB Cc1ccc(C[C@@H](Oc2cccc3ccccc23)C(=O)O)cc1Cl 225080719 BITRLDUYFBUGBK-LJQANCHMSA-N 340.806 4.876 0 40 EJAB CCOc1ccccc1CCCNC(=S)Nc1ccc(Cl)cc1 225395090 ZVMULIOXOOAIJM-UHFFFAOYSA-N 348.899 4.658 0 40 EJAB CC[C@H](NC(=S)Nc1ccc(C)cc1)c1ccc(OC)c(C)c1 225456993 VBLLEWGKIIPDLK-KRWDZBQOSA-N 328.481 4.750 0 40 EJAB Cc1ccc(CCCC(=O)Nc2nc3ccc(F)cc3s2)s1 257173357 LCKPIAVRTZONLL-UHFFFAOYSA-N 334.441 4.767 0 40 EJAB O=C(NCc1nc(C2CCCCC2)cs1)c1ccc(Cl)s1 390831729 UKESCVCRYVTXMP-UHFFFAOYSA-N 340.901 4.836 0 40 EJAB Cc1ccc(C(=O)CCC(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1 408825978 SHRLRMAWUBWMDP-UHFFFAOYSA-N 349.352 4.924 0 40 EJAB c1ccc([C@H]2CCC[C@H]2c2nc(-c3cc[nH]c4nccc3-4)no2)cc1 651395133 HMHXPZJYBZYXKZ-RHSMWYFYSA-N 330.391 4.616 0 40 EJAB Cc1c(Cl)cccc1NC(=S)N1CCCC[C@H]1c1cccnc1 240200 UNHMGCNGGUWGLF-KRWDZBQOSA-N 345.899 4.967 0 40 EJAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1c(F)cccc1F 3236147 DVICBGFCIUFDBA-UHFFFAOYSA-N 348.736 4.834 0 40 EJAB Cc1ccsc1/C=C/c1nc2ccccc2c(=O)n1-c1ccccc1 4512756 MXODNZGTNVHTST-VAWYXSNFSA-N 344.439 4.926 0 40 EJAB COc1ccc(C(C)=O)cc1CSc1nnc(C2CCCCC2)o1 6374132 ADMJZCAMIZRAOG-UHFFFAOYSA-N 346.452 4.621 0 40 EJAB CCCSc1ncc(Cl)c(C(=O)Nc2cc(C)ccc2C)n1 6810509 VCJUCAJHSSWHOR-UHFFFAOYSA-N 335.860 4.501 0 40 EJAB O=C(CCc1c[nH]c2ccccc12)N1CCCSc2ccccc21 7719158 SZLOCKQFRIWTLD-UHFFFAOYSA-N 336.460 4.630 0 40 EJAB CNc1nc(-c2cc(C)n(CCc3ccc(OC)cc3)c2C)cs1 7844448 JDTQPYXZXNAAPR-UHFFFAOYSA-N 341.480 4.521 0 40 EJAB O=C(CCc1ccc(-c2ccccc2)o1)N1CC[C@@H]2CCCC[C@@H]2C1 7980264 LZIRJKRXAAUVDB-PKOBYXMFSA-N 337.463 4.918 0 40 EJAB COc1cccc(C(=O)N2CCc3sccc3[C@H]2c2ccccc2)c1 8115151 QCQOGHWFTAPIHR-HXUWFJFHSA-N 349.455 4.545 0 40 EJAB O=C(CCc1nc2ccccc2s1)N1CCC[C@@H]1c1ccccc1 9895242 AYLHSFVFFDLIMM-QGZVFWFLSA-N 336.460 4.593 0 40 EJAB Oc1cccc(C2=NN3[C@H](c4cccs4)Oc4ccccc4[C@H]3C2)c1 10215378 OVPLERFNBCIBAQ-XLIONFOSSA-N 348.427 4.696 0 40 EJAB Fc1ccc(-c2nc(COc3c(Cl)cccc3Cl)no2)cc1 12869722 FZPDYDWRDPQHLZ-UHFFFAOYSA-N 339.153 4.762 0 40 EJAB Cc1cc(C)cc(-n2nc(C)c3c2N=C(O)C[C@H]3c2cccs2)c1 13552847 DFRSJUPSHGBAEK-HNNXBMFYSA-N 337.448 4.983 0 40 EJAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCCSC2CCCCC2)c1 20481130 IATJPROOZUNYGU-KRWDZBQOSA-N 349.540 4.561 0 40 EJAB Cc1ccc(-c2cc(C(=O)Nc3ccc(C)c(Cl)c3)no2)cc1 27581409 CIYZTWSFWIPMQS-UHFFFAOYSA-N 326.783 4.864 0 40 EJAB CC(C)(C)c1ccc(O)c(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)c1 29769628 ASCKWMPNEOVZJB-JKSUJKDBSA-N 327.399 4.571 0 40 EJAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(OC2CCCC2)cc1 31245357 NKSNUHUUFNCHEQ-AWEZNQCLSA-N 343.398 4.553 0 40 EJAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc2cc[nH]c2c1 32343097 AHRANLXFTYEHAJ-GFCCVEGCSA-N 335.432 4.611 0 40 EJAB Cc1cccc(-c2nc(CC(=O)OCc3ccccc3F)cs2)c1 36763265 XICQPVAZYRBXFX-UHFFFAOYSA-N 341.407 4.544 0 40 EJAB Cc1c(C(=O)NCc2nc(-c3ccccc3)cs2)oc2ccccc12 40324643 RIROUEPCWNEHKU-UHFFFAOYSA-N 348.427 4.795 0 40 EJAB Cn1c(SCc2ccc3ccccc3c2)nnc1-c1ccccc1 71234691 OYHUQEQUTWMCKR-UHFFFAOYSA-N 331.444 4.928 0 40 EJAB CC(C)(C)OC(=O)N1CCC[C@H](CSc2ccc(F)cc2)C1 72203984 MXUKQWRNJFXWBB-ZDUSSCGKSA-N 325.449 4.565 0 40 EJAB C[C@H]1CC2=C(C[C@H]1[C@H]1OC[C@@H](CN3CCCCC3)O1)C(C)(C)CCC2 85867326 GWNYATQURCVOGA-SFFNPBHPSA-N 347.543 4.767 0 40 EJAB O=C(c1ccc(-c2ccccc2F)s1)N1CCc2sccc2C1 89821257 HAXMUJLZMRHAFH-UHFFFAOYSA-N 343.448 4.814 0 40 EJAB O=c1[nH]c2c(s1)[C@H](c1ccc(Cl)cc1)[C@H]1[C@@H]3CC[C@H](C3)[C@H]1S2 100860017 ATOKCVQCCLMGBV-OMRXRXQOSA-N 349.908 4.742 0 40 EJAB C[C@@H](NC(=O)/C=C/c1ccc(Cl)cc1Cl)[C@H]1C[C@@H]2CC[C@@H]1C2 102963499 LYTBYJYOGOTVFB-PWJDRLRCSA-N 338.278 4.948 0 40 EJAB CSc1ccccc1C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 140181422 XLEXNKNGUDMFST-AWEZNQCLSA-N 325.477 4.778 0 40 EJAB C[Si](C)(C)c1c(Cl)cc(Cl)c([Si](C)(C)C)c1Cl 219794148 KBODDKFGXKYTCO-UHFFFAOYSA-N 325.815 4.737 0 40 EJAB C[C@@H](CNC(=O)CCSc1ccc(Cl)cc1)c1ccccc1 223418184 ZYSZZWSWDYUWPV-AWEZNQCLSA-N 333.884 4.742 0 40 EJAB CCc1ccc([C@H](C)NC(=O)CSc2ccc(Cl)cc2)cc1 225008042 QBBIQDCSLVVWHI-ZDUSSCGKSA-N 333.884 4.872 0 40 EJAB Cc1ccc(NC(=S)NCCSCc2ccccc2C)c(C)c1 225359786 PNENVBDBRBTZDP-UHFFFAOYSA-N 344.549 4.832 0 40 EJAB Nc1ccc(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 226303150 APTDGTWUTKHJNW-UHFFFAOYSA-N 346.474 4.989 0 40 EJAB Cc1ccc2nc(C)cc(C(=O)N(C)C3CCC(F)(F)CC3)c2c1 585084045 KMJIAOPHLPNNQG-UHFFFAOYSA-N 332.394 4.502 0 40 EJAB O=C(Cc1ccc(F)cc1)NCCc1ccc(-c2cccs2)s1 1889278503 LQOAQMCKYNUVJZ-UHFFFAOYSA-N 345.464 4.517 0 40 EJAB CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)CC 132107 VICDQOVEOGSZGR-UHFFFAOYSA-N 337.828 4.594 0 40 EJAB CCOc1nc(-c2ccccc2)ccc1-c1noc(-c2cccs2)n1 387926 GJLOFTBTEQBODT-UHFFFAOYSA-N 349.415 4.926 0 40 EJAB FC(F)(F)c1nc(SCc2ccccc2Cl)nc2c1CCC2 581203 FXMYVGLMQLMNBD-UHFFFAOYSA-N 344.789 4.930 0 40 EJAB c1ccc(Cc2nnc(Sc3ccccn3)c3ccccc23)cc1 1384838 SNACGBLYYQCGME-UHFFFAOYSA-N 329.428 4.767 0 40 EJAB CCOC(=O)c1sc(=S)n(-c2ccccc2Cl)c1SC 1403337 YDLIJKIHHLGPRO-UHFFFAOYSA-N 345.898 4.820 0 40 EJAB CCCC[C@H](CC)CNC(=O)[C@H](C)Oc1ccc(Cl)cc1C 2741510 ZUHBJWDLYMASGY-GJZGRUSLSA-N 325.880 4.748 0 40 EJAB Cc1ccc2nc(NC(=O)[C@H](C)Oc3cccc(Cl)c3)sc2c1 2748302 XXQFUBSDEXXMMC-NSHDSACASA-N 346.839 4.664 0 40 EJAB CC(=O)[C@H](Oc1ccc(C(=O)c2ccc(F)cc2)cc1)c1ccccc1 6881522 YCDBVVPFUDDCJT-QFIPXVFZSA-N 348.373 4.766 0 40 EJAB Cc1ccc(-c2nc(CC(=O)Nc3cccc(C)c3)sc2C)cc1 7845644 SVNDZUNOLCMCNV-UHFFFAOYSA-N 336.460 4.917 0 40 EJAB CC(=O)Nc1c(-c2cc(=O)oc3cc(C)c(C)cc23)oc2ccccc12 11865186 IMBAMTMJNXZPDZ-UHFFFAOYSA-N 347.370 4.781 0 40 EJAB biogenic Cc1ccc(NC(=O)[C@@H](C)Sc2cc(-c3ccccc3)ncn2)cc1 11903088 QOQQUBYJHLVGKF-OAHLLOKOSA-N 349.459 4.571 0 40 EJAB Cc1ccsc1-c1nn2c(-c3ccc(Cl)cc3)nnc2s1 12322625 QSYRYKNFXMTWPM-UHFFFAOYSA-N 332.841 4.543 0 40 EJAB Cc1cccc(NC2=NC(=S)N(c3ccccc3)C23CCCC3)c1 12462706 BWAVFCRLIFHGRN-UHFFFAOYSA-N 335.476 4.923 0 40 EJAB Cc1ccc(N2C(=O)N([C@H](C)c3ccccc3Cl)C(=O)[C@H]2C)cc1 12598929 QJPZXIPWDTXSSX-ZIAGYGMSSA-N 342.826 4.567 0 40 EJAB O=C(COc1cccc2ccccc12)N1CCC[C@@H]1c1cccs1 12860586 MRPOTZYMXBMQSJ-QGZVFWFLSA-N 337.444 4.644 0 40 EJAB Cc1cccc(CCCNC(=O)CCSc2ccc(Cl)cc2)c1 13673508 GAHLNSLQQKSUBM-UHFFFAOYSA-N 347.911 4.880 0 40 EJAB CC(=O)c1cccc(NC(=S)Nc2ccc(C(F)(F)F)cc2)c1 13747962 KPZRPQOHMUVOAL-UHFFFAOYSA-N 338.354 4.717 0 40 EJAB CCn1nccc1NC(=O)c1ccc(-c2ccc(Cl)cc2)s1 14183437 FQKKKMWYGBDFPO-UHFFFAOYSA-N 331.828 4.537 0 40 EJAB Cc1ccc(OCc2cc(-c3cccs3)on2)c2c1[C@H](C)CC2=O 14373758 GSIJMPXNFZZBHQ-GFCCVEGCSA-N 339.416 4.980 0 40 EJAB C[C@@H](Sc1ccccc1)C(=O)Nc1ccc(N2CCCCC2)cc1 15326595 GQHSZMJHFQHKHY-MRXNPFEDSA-N 340.492 4.796 0 40 EJAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(Cl)cc1 20138236 HHNDZUFZZZFZTC-UHFFFAOYSA-N 341.794 4.653 0 40 EJAB c1coc([C@H]2Nc3ccccc3[C@@H]3c4[nH]c5ccccc5c4CCN23)c1 26456138 KCWBCVWYCIJIAZ-YADHBBJMSA-N 341.414 4.833 0 40 EJAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1cc(C)ccc1OC 30753977 GPNOBLUFHNAECM-IBGZPJMESA-N 349.430 4.953 0 40 EJAB COc1cc(C(=O)Nc2ccccc2SC)ccc1OCC(C)C 32958652 YMJKBTJAHKYTQM-UHFFFAOYSA-N 345.464 4.704 0 40 EJAB CC(=O)c1cccc(NC(=O)[C@H](C)SC/C=C/c2ccccc2)c1 36394219 LCKOKKATRFZDAD-JCVNQNCUSA-N 339.460 4.663 0 40 EJAB CCc1cccc(C)c1NC(=O)[C@H](CC)Oc1ccc(C)c(C)c1 44903724 KIUWLTGHPINIOK-IBGZPJMESA-N 325.452 4.970 0 40 EJAB CCN1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C(C)C)nc1 72214875 AIEMKWAPIKSUDO-KRWDZBQOSA-N 347.503 4.778 0 40 EJAB O=C(NCc1ccccc1C(F)(F)F)c1ccc(Cl)c(Cl)c1 72331423 KLJLIWPFJDVRLK-UHFFFAOYSA-N 348.151 4.942 0 40 EJAB c1ccc(CCN2CCCC[C@@H]2c2nnc(-c3ccsc3)o2)cc1 72390149 NZHBGUWUPSHCME-QGZVFWFLSA-N 339.464 4.568 0 40 EJAB Cc1ccc2nc(-c3ccc(I)cc3)oc2c1C 73639067 PMIWLMFXXRITBU-UHFFFAOYSA-N 349.171 4.716 0 40 EJAB O=C(N[C@H](c1ccccc1)C1CCCCC1)[C@@H]1C[C@@H]1c1cccnc1 84522158 LRWNYPQKAPOWHN-NJDAHSKKSA-N 334.463 4.623 0 40 EJAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCC1=CCCCC1 223014093 GSVGHDPDUOUFIU-GOSISDBHSA-N 335.875 4.813 0 40 EJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1c(C)cccc1C 223454124 BUBOJHIZWCTTNS-HXUWFJFHSA-N 337.463 4.978 0 40 EJAB O=C(O)[C@H](Cc1cc(Cl)cc(Cl)c1)Oc1ccc(Cl)cc1 225090692 MHBVTNCTZWPUDW-AWEZNQCLSA-N 345.609 4.722 0 40 EJAB Cc1ccc(Cl)cc1NC(=O)Cc1cccc(Br)c1 225613400 ZHRHRLZXNCSUFZ-UHFFFAOYSA-N 338.632 4.592 0 40 EJAB COc1ncc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)cc1C 225867145 YKBYATDFVMIVHI-UHFFFAOYSA-N 338.451 4.548 0 40 EJAB Cc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2ccc(F)cc2)S1 408808665 JXOBHQVVPZODMN-UHFFFAOYSA-N 347.822 4.551 0 40 EJAB Cc1cc2c(cc1C)[C@H](c1ccc(F)c(Br)c1)CC(=O)N2 89723 BCPRYJSLTJDXPG-LBPRGKRZSA-N 348.215 4.679 0 40 EJAB Cc1cc(OCC(=O)Oc2ccc(Cl)cc2Cl)ccc1Cl 151427 VWXGDJFAJFMBEJ-UHFFFAOYSA-N 345.609 4.940 0 40 EJAB CCOc1nc(-c2ccccc2)ccc1-c1noc(-c2ccccc2)n1 498707 FOTQQZBTKYJNOC-UHFFFAOYSA-N 343.386 4.864 0 40 EJAB Cc1ccc(NC(=O)c2ccccc2NC(=O)Nc2ccccc2)cc1 503431 PYCQQRMHQGBROI-UHFFFAOYSA-N 345.402 4.891 0 40 EJAB CCOc1cc([C@H]2Nc3c(C)cc(C)cc3-c3cc(C)nn32)ccc1O 818059 BQTMFZDCWAPBEB-NRFANRHFSA-N 349.434 4.552 0 40 EJAB CCCCOC(=O)c1ccc(OC(=O)c2ccccc2Cl)cc1 2065832 WGARXYZPILEASD-UHFFFAOYSA-N 332.783 4.516 0 40 EJAB O=C(c1ccc(CN2CCCC2)cc1)c1ccc(Cl)c(Cl)c1 2514586 NDQJXLNZTMBMRX-UHFFFAOYSA-N 334.246 4.820 0 40 EJAB CC(=O)c1ccc(-c2ccc(C(=O)Nc3cc(F)ccc3C)o2)cc1 3437336 XVTVWAFUNATCNE-UHFFFAOYSA-N 337.350 4.849 0 40 EJAB S=C(Nc1ccccc1Cl)N1CCCC[C@H]1c1cccnc1 3893370 QAODBNLDZKJGNJ-INIZCTEOSA-N 331.872 4.659 0 40 EJAB biogenic Cc1ccc(C2=Nc3ccc(F)cc3C(c3ccccc3)=NN2)cc1 4129700 PUSDCJXMARUDHI-UHFFFAOYSA-N 329.378 4.568 0 40 EJAB COCCn1cc(NC(=O)Nc2cc(C)ccc2C)c2ccccc21 5266530 QEKHRGIULMUWIY-UHFFFAOYSA-N 337.423 4.549 0 40 EJAB COC(=O)C[C@@H](c1ccccc1)C1(c2ccccc2)SCCS1 6379316 XJHLTJCCTLDNSI-KRWDZBQOSA-N 344.501 4.666 0 40 EJAB O=C(CCc1ccsc1)Nc1ccc(Br)cc1Cl 7214458 FRDKMDHYEPNLMQ-UHFFFAOYSA-N 344.661 4.735 0 40 EJAB COc1cccc(C(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)c1 7686041 JAWAMDIECTXUMM-NRFANRHFSA-N 331.415 4.523 0 40 EJAB CCOc1ccc(NC(=O)c2cc(C3CC3)nc3ccccc23)cc1 7915624 AONNVCPKKIDSKJ-UHFFFAOYSA-N 332.403 4.763 0 40 EJAB C[C@@H](NC(=O)c1cc(Cl)nc2ccccc12)c1ccccc1F 7989147 LQJCXTYDLQHWLU-LLVKDONJSA-N 328.774 4.518 0 40 EJAB COc1c(C)cccc1C(=O)Nc1ccc(-n2ccnc2C(C)C)cc1 12462956 WNLJCIDFAUAVJQ-UHFFFAOYSA-N 349.434 4.565 0 40 EJAB COc1cc(/C=C2/C(=O)Nc3cc(Cl)ccc32)ccc1OC(C)C 13068622 JZSAZJFYSOZKJL-OVCLIPMQSA-N 343.810 4.629 0 40 EJAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCCSc2ccccc21 14229749 IEHXZVNZBJNVFG-ZDUSSCGKSA-N 347.867 4.636 0 40 EJAB C[C@H](CN(C)Cc1c([C@H]2CCCO2)[nH]c2ncccc12)c1ccccc1 19455979 ISYWFVNUMGRPOM-OXQOHEQNSA-N 349.478 4.650 0 40 EJAB O=C(Cc1cccc(F)c1)Nc1cc(C(F)(F)F)ccc1Cl 19934896 FFRDHZUDINOFOM-UHFFFAOYSA-N 331.696 4.679 0 40 EJAB O=C(Nc1ccccc1Cl)c1cccnc1Nc1cccc(F)c1 22072387 GHTUFZCKEFYNNP-UHFFFAOYSA-N 341.773 4.870 0 40 EJAB COc1cccc(CCC(=O)N[C@@H](C)c2cccc3ccccc23)c1 27103229 YXRNRSMLSACIFH-INIZCTEOSA-N 333.431 4.658 0 40 EJAB Cc1cc2oc(C(=O)Nc3cccc4ccccc34)cc(=O)c2cc1C 27664615 FJVAQSHGYFVISE-UHFFFAOYSA-N 343.382 4.815 0 40 EJAB COc1ccc2cc(CN(Cc3ccco3)C3CC3)c(Cl)nc2c1 28072790 LKYDJHXRKAHDTH-UHFFFAOYSA-N 342.826 4.654 0 40 EJAB O=C(c1ccc2ncsc2c1)N(Cc1ccccc1)Cc1ccco1 30223818 RDLAEEHQTNIZHZ-UHFFFAOYSA-N 348.427 4.732 0 40 EJAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)[C@@H](C)n1cnc2ccccc21 30606102 KMBSWAXMFUQEEJ-LSDHHAIUSA-N 347.418 4.563 0 40 EJAB C[C@H]1C(=O)C[C@@H](c2ccc(Cl)cc2)N[C@@H]1c1ccc(Cl)cc1 33759810 GVIAXRUEUWNZTF-PBQZTSCYSA-N 334.246 4.974 0 40 EJAB CCSc1nn2cc(-c3ccc(Cl)cc3Cl)nc2s1 40965117 ADPVBADPPJCLNU-UHFFFAOYSA-N 330.265 4.877 0 40 EJAB CC(C)c1ccc(-c2noc(-c3c[nH]c4ccc(F)cc4c3=O)n2)cc1 57354805 CAKLTUNCIYVZLR-UHFFFAOYSA-N 349.365 4.508 0 40 EJAB CC[C@H](NC(=O)[C@H](C)Oc1ccc(C)c(C)c1)c1ccc(C)cc1 59351755 AKAWAWUHLUATMB-PXNSSMCTSA-N 325.452 4.647 0 40 EJAB O=[S@@](Cc1coc(-c2ccc(F)cc2)n1)Cc1ccccc1Cl 69350715 IECFKMIRIZBEJL-QHCPKHFHSA-N 349.814 4.583 0 40 EJAB O=C(OCc1ccccc1)N1CCCC[C@H]1c1cccnc1Cl 72211528 CUPBINLEMJJNJS-INIZCTEOSA-N 330.815 4.599 0 40 EJAB Cc1[nH]nc(C(F)F)c1NC(=O)Nc1cc(Cl)ccc1Cl 95455774 OAQNVBHARFNKKD-UHFFFAOYSA-N 335.141 4.607 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)COc2ccc(Cl)cc2Cl)cc1 216450325 LGTWAVMARZKZRV-GFCCVEGCSA-N 338.234 4.558 0 40 EJAB Cc1ccc(C(=O)NCCSCc2ccccc2C)c(Cl)c1 224996167 GPKUZSFICCMRDG-UHFFFAOYSA-N 333.884 4.620 0 40 EJAB Cc1ccc(S[C@H](Cc2cccc(C(F)(F)F)c2)C(=O)O)cc1 225095049 BPLQZDLMLLBORA-OAHLLOKOSA-N 340.366 4.802 0 40 EJAB O=C(Nc1ccc(Oc2cccc(Cl)c2)cc1)[C@@H]1C[C@H]2CC[C@H]1O2 504233310 WFPMVNUEJRCEPF-KZNAEPCWSA-N 343.810 4.638 0 40 EJAB CC(=O)c1cc(C(F)(F)F)c(Br)cc1C(F)(F)F 514251271 MFQSKSBUCACPHA-UHFFFAOYSA-N 335.041 4.689 0 40 EJAB C[C@H](Nc1ccc(-c2cn3ccccc3n2)cc1)c1ccc(F)cn1 539598542 RUXCPZGMEWDSHL-AWEZNQCLSA-N 332.382 4.709 0 40 EJAB Cc1noc(C)c1CSc1ncnc2sc3c(c12)CC[C@@H](C)C3 102339 PYLAXHMXXXYXEA-SECBINFHSA-N 345.493 4.713 0 40 EJAB CC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccc(Cl)cc1Cl 366768 QICJHAUUUUEGAD-SFHVURJKSA-N 347.245 4.999 0 40 EJAB Cc1ccc(C(=O)N2N=C(c3ccc(C)cc3)C[C@@H]2c2ccco2)cc1 547484 MKLSTESWYNLNBC-HXUWFJFHSA-N 344.414 4.888 0 40 EJAB O=C(Nc1nc2ccc(F)cc2s1)c1cccc(Cl)c1Cl 1268812 ZEXQEQGXZTXEDY-UHFFFAOYSA-N 341.194 4.995 0 40 EJAB CCCCOC(=O)c1ccc(NC(=O)Nc2ccccc2Cl)cc1 1640241 YBRMZMAPKQSWQG-UHFFFAOYSA-N 346.814 4.941 0 40 EJAB CC(=O)c1ccc(NC(=O)c2cccc(Oc3ccccc3)c2)cc1 3348317 CDFGXTBKMCYQLK-UHFFFAOYSA-N 331.371 4.934 0 40 EJAB Cc1ccc(C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)c2ccc(C)cc2)cc1 5160131 FHGLVZYTICFTPF-FXELSEDVSA-N 330.427 4.807 0 40 EJAB O=C(Nc1ccccc1)[C@H](c1ccc(Cl)cc1)N1CCCCC1 5647440 OEFLAYGPCRTFNE-SFHVURJKSA-N 328.843 4.506 0 40 EJAB Cc1cc(C)nc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)n1 5680705 ORQZRVIFAOJNAZ-SFHVURJKSA-N 349.459 4.566 0 40 EJAB CCc1ccc(C(=O)Nc2ccc(C(=O)c3ccccc3)cc2)cc1 8383059 ILOHEYBQDBDPFL-UHFFFAOYSA-N 329.399 4.732 0 40 EJAB Cc1oc(-c2cccs2)nc1CSc1ccc2c(c1)OCCO2 11146612 XMOCVJIHEZYUDH-UHFFFAOYSA-N 345.445 4.775 0 40 EJAB O=C(/C=C/c1ccccc1)Nc1ccc(OCCc2ccccc2)cc1 12137982 KMNAQAOBWXPHLF-LFIBNONCSA-N 343.426 4.960 0 40 EJAB C[C@H](NC(=O)[C@H]1Cc2ccccc2O1)c1ccc(-c2ccccc2)cc1 12848037 JXZGSIXBZBIRSQ-KSFYIVLOSA-N 343.426 4.535 0 40 EJAB COc1ccccc1NC(=S)Nc1cccc(C(F)(F)F)c1 13790132 ZRVFZDOFDVMUIU-UHFFFAOYSA-N 326.343 4.523 0 40 EJAB CC(=O)c1c(C)[nH]c(-c2csc(NCCc3cccs3)n2)c1C 14103780 DPAGWYGGXXJLEU-UHFFFAOYSA-N 345.493 4.674 0 40 EJAB COc1ccccc1[C@@H]1SCC(=O)N1c1ccc(C(C)C)cc1 19927395 IZNBERVSWBXOPX-IBGZPJMESA-N 327.449 4.597 0 40 EJAB COC(=O)c1ccc(CSC2=Nc3ccccc3CS2)cc1 22519457 VLVXDAREOYXKNN-UHFFFAOYSA-N 329.446 4.641 0 40 EJAB CC1CCN(c2nnc(S[C@H](C)c3ccccc3)n2C2CC2)CC1 24828949 LYQOMXUBHYSOIY-OAHLLOKOSA-N 342.512 4.703 0 40 EJAB CCOc1ncccc1NC(=O)c1ccc(-c2ccccc2F)s1 27584850 DFLKDZQKZPXRCI-UHFFFAOYSA-N 342.395 4.600 0 40 EJAB C[C@H](NC(=O)c1cccnc1Cl)c1ccc(-c2ccccc2)cc1 29097260 PVCKQBHSCLUICL-AWEZNQCLSA-N 336.822 4.893 0 40 EJAB O=C([C@H]1CC=CCC1)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 53988076 SKJOPFOKSHPKRJ-AWEZNQCLSA-N 344.842 4.544 0 40 EJAB Cc1ccc(-c2csc(NC(=O)c3ccco3)c2C(=O)O)c(C)c1 71405332 QLLQNALFWRXQET-UHFFFAOYSA-N 341.388 4.575 0 40 EJAB Nc1nc(-c2ccc(Cl)c(Cl)c2)cc(-c2ccccc2F)n1 71977918 XHWJDRGDLLJYBU-UHFFFAOYSA-N 334.181 4.839 0 40 EJAB CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1C(C)C 72214738 ZNBJJIWFYLTJHO-QGZVFWFLSA-N 347.503 4.778 0 40 EJAB C[C@H]1CCCN(C(=O)N[C@@H](c2ccccc2)c2cc3ccccc3o2)C1 84697469 JDKXIXWXHOYWSX-KKSFZXQISA-N 348.446 4.964 0 40 EJAB CCCCC[C@H]1[C@@H](CC(=O)OC)CC[C@H]1OC(=O)Nc1ccccc1 102804640 AUTCMLIZMUTLIQ-BPQIPLTHSA-N 347.455 4.773 0 40 EJAB Cc1cccc(CCC(=O)N2CCCC[C@H](c3ccc(F)cc3)C2)c1 206875269 MBHUMSRKFNOZER-FQEVSTJZSA-N 339.454 4.863 0 40 EJAB Cc1cccc(O[C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)c1 222947787 YRRCDPBWUKSXSF-IAGOWNOFSA-N 337.463 4.519 0 40 EJAB Cc1cc(C)c([C@H](C)NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1C 223463730 PMXWVRSVLCUHQX-HOTGVXAUSA-N 345.870 4.910 0 40 EJAB Cc1ccc(O[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)O)cc1C 225088942 BKJQPJRGIUWHGG-INIZCTEOSA-N 339.218 4.685 0 40 EJAB C[C@@H](NC(=O)CCc1c(Cl)cccc1Cl)c1ccc(F)cc1 225355368 PWMLNRXXWHLVSZ-LLVKDONJSA-N 340.225 4.943 0 40 EJAB COC1(C(=O)Nc2ccc(OC3CCCC3)cc2)CCCCCC1 225630261 YDPQMYXNLMAEDN-UHFFFAOYSA-N 331.456 4.686 0 40 EJAB CCCCc1ccc(NC(=O)c2snnc2-c2cccs2)cc1 225790358 UNMZITOQZIXBMI-UHFFFAOYSA-N 343.477 4.862 0 40 EJAB CCCO[C@](C)(CC)C(=O)Nc1ccc(OC(C)C)c2ncccc12 225904309 GTHCXXFBYBPHGQ-HXUWFJFHSA-N 344.455 4.556 0 40 EJAB C[C@]12CC[C@@H]3[C@H](CC[C@@]4(C)CC5(CC[C@]34C)OCCO5)[C@H]1CCC2=O 245239218 GOQSFMJREPWSEI-LLLQWQLGSA-N 346.511 4.731 0 40 EJAB COC(=O)c1ccc(CN2c3cc(C)c(C)cc3[C@H](C)CC2(C)C)o1 260616306 IJDRTTKPVWAKHJ-OAHLLOKOSA-N 341.451 4.975 0 40 EJAB CCCn1c(SCc2ccccc2F)nnc1-c1ccccc1 409103587 AKNHOWMDJKXSRY-UHFFFAOYSA-N 327.428 4.787 0 40 EJAB Cc1nc2cc(NC(=O)Nc3ccc4ccccc4c3)ccc2n1C 409125956 NIGUOIGRNAPZLV-UHFFFAOYSA-N 330.391 4.679 0 40 EJAB COc1cc(F)c(NC(=O)c2ccc(-c3cccs3)o2)cc1F 541236310 BWXRRMZRJIGWDN-UHFFFAOYSA-N 335.331 4.547 0 40 EJAB O=C(Nc1ccc(C(F)(F)F)cc1)N1CC[C@H](c2cccs2)C1 827907360 UPYROLZEXSGPEC-NSHDSACASA-N 340.370 4.788 0 40 EJAB O=C(Nc1ccccc1Cl)/C(Br)=C/c1ccccc1 113588 QSPMNKCBPKQOMY-BENRWUELSA-N 336.616 4.715 0 40 EJAB COC(=O)c1ccc2nc(C)cc(Nc3cccc(Cl)c3)c2c1 144070 DARHMUUNLZEAET-UHFFFAOYSA-N 326.783 4.727 0 40 EJAB O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1ccc(F)cc1 567863 VXICJUGELNCVMJ-UHFFFAOYSA-N 338.816 4.916 0 40 EJAB FC(F)(F)c1cccc(-c2nnn3c2nc(Cl)c2ccccc23)c1 2694112 HPMRZGGTTWCRCU-UHFFFAOYSA-N 348.715 4.617 0 40 EJAB CCO[C@H]1c2c(C)ccc(NC(=O)Nc3ccccc3)c2OC1(C)C 3131360 GXYNSKCXSWFQIF-SFHVURJKSA-N 340.423 4.888 0 40 EJAB Cc1cc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)no1 9204218 ODEZOEUSLNRYMJ-UHFFFAOYSA-N 335.388 4.512 0 40 EJAB Cc1ccc(-c2nnc(SCc3cccc4cccnc34)o2)cc1 11390685 ITNYFAUXUWEBBS-UHFFFAOYSA-N 333.416 4.886 0 40 EJAB CSc1ccc(Cl)c(C(=O)NCC2(c3ccccc3)CC2)c1 11750055 RNMVEAOVVOXDNT-UHFFFAOYSA-N 331.868 4.524 0 40 EJAB Fc1ccc(CSc2nnc(-c3ccc(Cl)s3)o2)cc1 12249098 DDZWVXPPOHRCDU-UHFFFAOYSA-N 326.805 4.883 0 40 EJAB Fc1ccc(NC(=S)Nc2ccccc2C(F)(F)F)cc1F 13787569 ANNOVVGQUNDJKI-UHFFFAOYSA-N 332.297 4.793 0 40 EJAB O=C(NC1CCCCCCC1)c1ccc(OCc2cscn2)cc1 15634000 TWYUHUNPLMRSRC-UHFFFAOYSA-N 344.480 4.565 0 40 EJAB CC[C@H](NC(=O)[C@@H](CC)Oc1cccc(Cl)c1)c1ccccc1 19934682 ITAJZJNNRGPDRV-ZWKOTPCHSA-N 331.843 4.765 0 40 EJAB CC(C)=C[C@H]1[C@H](C(=O)Nc2ccc(-c3nccs3)cc2)C1(C)C 24541688 JLINGDSVELYWNQ-JKSUJKDBSA-N 326.465 4.987 0 40 EJAB COc1ccc2nc(C)c(C(=O)Nc3ccccc3SC)cc2c1 25766399 XXYDCYLQLVJGDY-UHFFFAOYSA-N 338.432 4.526 0 40 EJAB Cc1c(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cnn1C 28234720 AIQWJDLGTOTTLI-UHFFFAOYSA-N 340.235 4.502 0 40 EJAB C[C@@H]1CCC[C@H](NC(=O)c2cccc(OCc3ccccc3)c2)[C@@H]1C 33028638 DJXJETVHGPUZGE-LZJOCLMNSA-N 337.463 4.820 0 40 EJAB Cc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)cc1 44848510 NEYDLHQASFYLTO-ZWKOTPCHSA-N 325.452 4.565 0 40 EJAB Cc1cc(C)c(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)c(C)c1 44850121 YPFVHGUJAFVINF-SFHVURJKSA-N 325.452 4.943 0 40 EJAB Fc1ccc(CN(Cc2ncc(-c3ccccc3)o2)C2CC2)c(F)c1 48273268 UKXYAWVQCDGILG-UHFFFAOYSA-N 340.373 4.784 0 40 EJAB Cc1sc2c(c1C)CN(C1CCCC1)CN2C(=O)c1ccccc1 49563741 NWPOQPUFPQCOIP-UHFFFAOYSA-N 340.492 4.727 0 40 EJAB Cc1ccc2c(CN3CCC[C@H]3c3ccccc3)cc(=O)oc2c1C 57463288 BBSGRBSENAGVLN-FQEVSTJZSA-N 333.431 4.747 0 40 EJAB c1ccc([C@H]2C[C@]34OCCN3[C@@]3(CCCC[C@H]23)Oc2ccccc24)cc1 61991176 KMZWVRIIHGSMOD-PJIZGREPSA-N 347.458 4.638 0 40 EJAB CCOC(=O)c1c(-c2ccc(-c3ccccc3O)cc2)csc1N 61997396 WXBZHIXGMRTJBJ-UHFFFAOYSA-N 339.416 4.547 0 40 EJAB C[C@H](NCc1cccc(-c2ccccc2)c1)c1ccc2c(c1)OCCO2 71816968 REYNKNUNNJSNCU-KRWDZBQOSA-N 345.442 4.976 0 40 EJAB CC[C@@H](C)n1ncc(C(=O)Nc2cnc3ccccc3c2)c1C1CC1 89658924 QLXREGZJFZLJRF-CYBMUJFWSA-N 334.423 4.532 0 40 EJAB Cc1cc(-c2cccc(-c3cc(C(F)(F)F)cc(N(C)C)n3)c2)n[nH]1 91695748 SXNBYBZJLPWJFI-UHFFFAOYSA-N 346.356 4.532 0 40 EJAB CC[C@@H](c1ccncc1)N(C)Cc1cc(-c2ccc(Cl)cc2)no1 95446808 XFSQLIDUCUYMLK-IBGZPJMESA-N 341.842 4.973 0 40 EJAB O=C(Nc1ccccc1O)OCC1c2ccccc2-c2ccccc21 104841345 WYHCGXXOVZRLGB-UHFFFAOYSA-N 331.371 4.753 0 40 EJAB Cc1ccc(NC(=S)NCCOc2cccc3ccccc23)cc1 223577710 FZZAKWMJMRJERQ-UHFFFAOYSA-N 336.460 4.514 0 40 EJAB CCOc1ccc(C(=O)NCc2cc(CC)ccc2CC)cc1Cl 225858912 RWZIMQCOXLVZGU-UHFFFAOYSA-N 345.870 4.794 0 40 EJAB O=C(O)C1CCC(N[C@@H](c2ccccc2)c2cccc(Cl)c2)CC1 263417226 NRHOUAQGISTKOX-PPSBMQLTSA-N 343.854 4.662 0 40 EJAB Cc1cc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1C 409140198 GDEPOXDPTYXRPQ-NVNXTCNLSA-N 346.839 4.536 0 40 EJAB Cc1ccc(NC(=O)c2cc(Cl)c(Cl)cc2C(=O)O)c(C)c1 191337 NOWYTTHLBIVKCF-UHFFFAOYSA-N 338.190 4.561 0 40 EJAB Cc1cccc(Cl)c1NC(=O)COc1cccc2ccccc12 364038 MGPMTPKWKVPOOD-UHFFFAOYSA-N 325.795 4.819 0 40 EJAB O=C(CSc1nc(-c2ccccc2)nc2c1CCC2)c1ccccc1 536884 GFUHZXGCLNWGDI-UHFFFAOYSA-N 346.455 4.607 0 40 EJAB O=C(Nc1ccccc1)N(C1=NCCC1)c1ccc(OC(F)F)cc1 1811969 GUPWJUFLTCKZTG-UHFFFAOYSA-N 345.349 4.519 0 40 EJAB Cn1c(SCc2cccc(F)c2)nnc1-c1ccc(Cl)cc1 3353583 QRSILLHJWXJAMK-UHFFFAOYSA-N 333.819 4.567 0 40 EJAB CCC(=O)NCc1c(Cl)cccc1-n1cc(C)c2ccccc21 4054848 QPHRRTUGRQLCTR-UHFFFAOYSA-N 326.827 4.619 0 40 EJAB CC1(C)CC(=O)c2sc(Nc3nc4ccc(F)cc4s3)nc2C1 4137768 VILRIMUBNZPENU-UHFFFAOYSA-N 347.440 4.791 0 40 EJAB CCCCOC(=O)c1ccc(NC(=O)[C@@H](CC)c2ccccc2)cc1 4155369 CLOQVJHOXVVSGZ-IBGZPJMESA-N 339.435 4.776 0 40 EJAB CC(C)(C)c1ccc(NC(=O)c2ccccc2Br)cc1 5577634 DDQAYWIGSABVPS-UHFFFAOYSA-N 332.241 4.999 0 40 EJAB CCCn1c(=S)[nH]c2sc3c(c2c1=O)CC[C@@H](C(C)(C)C)C3 5925225 MMUNBIZIULBPRB-SNVBAGLBSA-N 336.526 4.682 0 40 EJAB Cc1cc(C)c(NC(=O)CSc2nc3ccc(C)cc3[nH]2)c(C)c1 6017029 JMQOWCSBQNVORC-UHFFFAOYSA-N 339.464 4.527 0 40 EJAB CCOc1ccc(N(C(=O)C2CC2)c2nc3ccccc3s2)cc1 7778873 ALPFFTYSPSGUIR-UHFFFAOYSA-N 338.432 4.770 0 40 EJAB O=C(OCc1nc2ccccc2o1)c1cc(C2CC2)nc2ccccc12 8541041 WQFMTEBGOPXULM-UHFFFAOYSA-N 344.370 4.610 0 40 EJAB Cc1ccc(-c2cc(C(=O)Oc3ccc(Cl)c(C)c3)no2)cc1 11916420 BFRRIYHZCXFOML-UHFFFAOYSA-N 327.767 4.831 0 40 EJAB C[C@@H](C(=O)N[C@H](C)c1ccccc1)N(C)Cc1ccc2ccccc2c1 12767390 YZPQRRYNVAHOEH-MSOLQXFVSA-N 346.474 4.538 0 40 EJAB O=C(Nc1ccccc1F)N[C@@H]1CCSc2ccc(Cl)cc21 12993030 VFDBLGOBJYOHKC-CYBMUJFWSA-N 336.819 4.838 0 40 EJAB Cc1cccc(-n2nc(SCc3c(C)noc3C)sc2=S)c1 13135348 OCXRVEKPDIMSSN-UHFFFAOYSA-N 349.506 4.869 0 40 EJAB COc1ccc2cc([C@H](C)C(=O)N[C@@H](C)c3ccccc3)ccc2c1 14171740 KAGMPABCTWFXKG-HOTGVXAUSA-N 333.431 4.829 0 40 EJAB Cc1sc2nc(-c3cccc(Cl)c3Cl)[nH]c(=O)c2c1C 16265921 JJSFBUCSHFVZFU-UHFFFAOYSA-N 325.220 4.575 0 40 EJAB COCCOc1ccc(CNc2cccc(OCCC(C)C)c2)cc1 19738371 FJCADSAARHAHKH-UHFFFAOYSA-N 343.467 4.749 0 40 EJAB C[C@H](NC(=O)CCc1ccc(Cl)cc1Cl)c1ccc(F)cc1 23053822 MQGFBWWFHMQUGA-NSHDSACASA-N 340.225 4.943 0 40 EJAB CN(Cc1ccc2ccccc2c1)Cc1cnn(-c2ccccc2)c1 25679476 HWQZPKBORXEFEY-UHFFFAOYSA-N 327.431 4.658 0 40 EJAB Cc1[nH]c2ccc(C(=O)Nc3ccccc3Br)cc2c1C 27981999 LDSXIVQPZUDRMX-UHFFFAOYSA-N 343.224 4.800 0 40 EJAB Cc1ccsc1/C=C1\SC(=O)N(Cc2ccc(Cl)cc2)C1=O 33591345 FYLCXAOODCSXFE-ZSOIEALJSA-N 349.864 4.946 0 40 EJAB CCOc1cccc(CNC(=O)/C(=C/c2ccco2)c2ccccc2)c1 38771897 OQPVZCIWVYONGX-RCCKNPSSSA-N 347.414 4.535 0 40 EJAB Cc1ccc(C)c(NC(=S)NCc2ccc(OC(C)C)cc2)c1 45709056 KUKWARYLVHLKGG-UHFFFAOYSA-N 328.481 4.577 0 40 EJAB O=C(C=C1CCCCC1)Nc1cccc(NC(=O)c2cccs2)c1 55981765 KWNNUQVZILBRCT-UHFFFAOYSA-N 340.448 4.829 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)CSCc2ccccc2F)cc1C 58685571 CFHLITQSLZVOIX-OAHLLOKOSA-N 331.456 4.553 0 40 EJAB CC(C)(C)OC(=O)N1CCC[C@H]1CSc1ccc(Cl)cc1 72411086 OSGMGZNGNHXSFS-ZDUSSCGKSA-N 327.877 4.832 0 40 EJAB CC(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@](C)(O)CC[C@]4(C)[C@H]3CC[C@@]21C 95869912 PGTVWKLGGCQMBR-VCKBKBOKSA-N 332.528 4.985 0 40 EJAB CC[C@H](C)c1ccc(-n2c(S)nc3cc(Cl)ccc3c2=O)cc1 100434014 SGPPZVYSIHOBKS-NSHDSACASA-N 344.867 4.841 0 40 EJAB COC(=O)/C=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1 216895049 DKDGBMKCYZVJLC-VMPITWQZSA-N 337.202 4.759 0 40 EJAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)N[C@H](C)c2ccc(C)c(C)c2)c1 219303175 FPOGYLKBHHKFJY-RTBURBONSA-N 339.479 4.873 0 40 EJAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(F)cc1 222934288 DYPFHJFBURPBCZ-LJQANCHMSA-N 343.442 4.597 0 40 EJAB CCc1ccc(CC)c(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1 224949105 RWDIRQQYUVRFDB-CQSZACIVSA-N 345.870 4.549 0 40 EJAB COc1cc(NC(=O)CCc2ccc(C)c(C)c2)c(OC)cc1Cl 225106948 QUIJUWOSPIEWOX-UHFFFAOYSA-N 347.842 4.545 0 40 EJAB Cc1ccc(NC(=S)NCCCc2ccc(OC(C)C)cc2)cc1 225567033 KGGNZGZHGYPHQQ-UHFFFAOYSA-N 342.508 4.701 0 40 EJAB Fc1ccc(NC(=S)NC2(c3ccccc3)CCCC2)cc1F 225860497 GBWAITBVVBDMMF-UHFFFAOYSA-N 332.419 4.721 0 40 EJAB C[C@H]1CCC[C@@H](C)N1C(=O)c1ccc(-c2ccc(Cl)c(N)c2)o1 226305142 XIDMJYGNDQTQBW-TXEJJXNPSA-N 332.831 4.585 0 40 EJAB CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(=O)CC[C@@H]4[C@@H]3CC[C@@]2(C)C1 253617434 MBXPDDMFPRWSTF-LBCMOLISSA-N 346.511 4.920 0 40 EJAB C/C(=C/c1cnc(-c2ccco2)s1)c1nc(O)c2ccsc2n1 330033158 WPNANQVFRXPUMM-CLFYSBASSA-N 341.417 4.674 0 40 EJAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NC1CCCCCCC1 408705501 HDIQHNAQCMNPHO-MRXNPFEDSA-N 331.500 4.981 0 40 EJAB Cc1cccn2cc(-c3ccc(N[C@@H](C)c4cscn4)cc3)nc12 580666764 ADAXOAOVZNEXND-AWEZNQCLSA-N 334.448 4.939 0 40 EJAB C[C@@]12C[C@@H](NC(=O)N1c1ccc(Cl)cc1)c1cc(Cl)ccc1O2 422937 PYUJBPVTJFZSPC-RHSMWYFYSA-N 349.217 4.763 0 40 EJAB O=C1N(c2cccc(Cl)c2)[C@@H](c2ccccc2Cl)N2CCCN12 553187 OYIOHAUJASFAKT-INIZCTEOSA-N 348.233 4.555 0 40 EJAB O=C(OCc1ccccc1Cl)c1c2c(nc3ccccc13)CCC2 3316437 MVKRMFWNQZUNEU-UHFFFAOYSA-N 337.806 4.734 0 40 EJAB Cc1cccc(COc2ccc3c4c(c(=O)oc3c2C)CCCC4)c1 5554574 XQDNWMQUIWAFAN-UHFFFAOYSA-N 334.415 4.868 0 40 EJAB CN(Cc1ccc(F)cc1)C(=O)C(c1ccccc1)c1ccccc1 6510672 YPFHKFJGYKXTIY-UHFFFAOYSA-N 333.406 4.616 0 40 EJAB CCOc1cccc2c1N[C@H](c1ccccc1C(=O)O)[C@@H]1CC=C[C@H]21 6935749 CMDPIPYTXDWRQR-KSMMKXTCSA-N 335.403 4.610 0 40 EJAB CCCCOc1ccc(C(=O)Nc2ccc(F)cc2C)cc1OC 7987975 LDCRYWYFAVCFPH-UHFFFAOYSA-N 331.387 4.574 0 40 EJAB CCn1c(NC(=O)c2ccc(Cl)cc2Cl)nc2ccccc21 10651415 QONPCTSXIQCILW-UHFFFAOYSA-N 334.206 4.615 0 40 EJAB Cc1oc(-c2ccccc2)nc1COC(=O)c1cccc(Cl)c1 12257333 LIWHHEPATGGXQV-UHFFFAOYSA-N 327.767 4.660 0 40 EJAB COc1ccc2c(C)cc(SCC(=O)c3ccccc3F)nc2c1 12546997 KHAFDFXZDPWPFH-UHFFFAOYSA-N 341.407 4.666 0 40 EJAB O=C1Nc2ccccc2/C1=C\c1csc(-c2ccc(Cl)cc2)n1 12819223 IOPNTBVYBMASRX-OQLLNIDSSA-N 338.819 4.956 0 40 EJAB CSc1ccccc1NC(=O)[C@H](C)Oc1cccc2ccccc12 13709346 LQBWYKWWWBOBGF-AWEZNQCLSA-N 337.444 4.968 0 40 EJAB C[C@H](NC(=O)CCc1ccc(C(C)(C)C)cc1)c1ccc(F)cc1 20041765 KIDMBWUYAUNMMX-HNNXBMFYSA-N 327.443 4.933 0 40 EJAB O=C(Nc1ccccc1CC1CC1)c1ccc(Br)cc1 20102630 KXUZAQZCYKNOPR-UHFFFAOYSA-N 330.225 4.654 0 40 EJAB Cc1ccc(CCC(=O)N2CCc3sccc3[C@@H]2C)cc1Cl 22007854 YNKAUMGHKBGLQL-ZDUSSCGKSA-N 333.884 4.788 0 40 EJAB COc1c(Cl)cc(Cl)cc1CNCCc1c[nH]c2ccccc12 22074816 MGDBRIZYKUJUAO-UHFFFAOYSA-N 349.261 4.816 0 40 EJAB O=C(Nc1cccc(F)c1)c1ccc(CN2CCc3ccccc32)cc1 22534460 VLGSDZUTKCLXTB-UHFFFAOYSA-N 346.405 4.641 0 40 EJAB C[C@H](NCc1ccc(-c2nc3ccccc3s2)o1)c1ccccn1 26308688 KIBKWXMWELFCRJ-ZDUSSCGKSA-N 335.432 4.802 0 40 EJAB CCOc1ccc(-c2c[n+](-c3ccccc3)c3n2CCCCC3)cc1 27788751 RHXUNNVBNGRYEC-UHFFFAOYSA-N 333.455 4.557 0 40 EJAB Cc1cc(C(=O)Nc2nc3ccccc3n2Cc2ccccc2)c(C)o1 27923109 XWCMRVNBCPEQFX-UHFFFAOYSA-N 345.402 4.547 0 40 EJAB CC(=O)c1cccc(NC(=O)Nc2nc3c(C)c(C)ccc3s2)c1 28221499 OPHMAWCMWUCFNT-UHFFFAOYSA-N 339.420 4.760 0 40 EJAB Cc1cc([C@@H]2CCCN2C(=O)c2sc3ccccc3c2Cl)no1 29242557 CNYIZSHPHPCQBF-ZDUSSCGKSA-N 346.839 4.828 0 40 EJAB Cc1ccc(-c2nnc(SCc3ccccc3)n2C)c(Cl)c1 30954746 ANVVBQUJPNZGNE-UHFFFAOYSA-N 329.856 4.736 0 40 EJAB CCC[C@@H](NC(=O)c1ccc2nc(C)c(C)nc2c1)c1ccccc1 32741348 RKOPVNDOOYVFHT-GOSISDBHSA-N 333.435 4.518 0 40 EJAB O=C(Nc1ccc(OCc2cccs2)cc1)c1ccccc1F 32930529 YGBCQXWKIUHVKD-UHFFFAOYSA-N 327.380 4.719 0 40 EJAB C[C@H](NC(=O)c1ccc(Cl)cc1F)c1cccc(OC(F)F)c1 32931094 IIJMUIOBHNBGAC-VIFPVBQESA-N 343.732 4.572 0 40 EJAB CC(=O)Oc1cccc(C(=O)c2cccc(Oc3ccccc3)c2)c1 43209862 ZZZADQJQQXAXHX-UHFFFAOYSA-N 332.355 4.635 0 40 EJAB Cc1cccc(-c2noc(-c3cc(-c4cc(C)ccc4C)n[nH]3)n2)c1 46914267 QYVLIFUGXNMRHJ-UHFFFAOYSA-N 330.391 4.719 0 40 EJAB c1csc(-c2csc(Cc3nc(-c4cccs4)no3)n2)c1 49006148 VHPJSKWVNNLXHK-UHFFFAOYSA-N 331.447 4.574 0 40 EJAB CC[C@H](C)N1COc2c(cc3c(-c4ccccc4)cc(=O)oc3c2C)C1 57134845 DNLUCONPWVCIGA-AWEZNQCLSA-N 349.430 4.719 0 40 EJAB biogenic O=[S@@](CCCOc1ccc(F)cc1)Cc1cccc2ccccc12 58132359 NLPCAHOKDQEQKW-XMMPIXPASA-N 342.435 4.697 0 40 EJAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N[C@@H](C)c1ccc(C)cc1C 59351651 JUDHHRATAAEGFL-RXVVDRJESA-N 339.479 4.955 0 40 EJAB ClC1(Cl)[C@H]2C[C@@H]3[C@@H]([C@@H]4[C@@H]([C@H]21)C4(Cl)Cl)C3(Cl)Cl 100916807 LXFGXVWBHKKGFX-ABNYENBBSA-N 340.892 4.650 0 40 EJAB CC(C)c1ccc(OCC(=O)N[C@H](C)c2ccc3c(c2)CCC3)cc1 223207092 XMKZSFVZTRQLID-MRXNPFEDSA-N 337.463 4.555 0 40 EJAB C[C@@H](NC(=O)COc1ccc2ccccc2c1)c1ccc2c(c1)CCC2 223245563 WHNVOQGOKZYTGR-MRXNPFEDSA-N 345.442 4.585 0 40 EJAB Cc1cc(C)cc(C[C@@H](Oc2ccccc2C(C)(C)C)C(=O)O)c1 225036527 SXKNDBNDPRKURZ-LJQANCHMSA-N 326.436 4.676 0 40 EJAB CCC[C@H](C)NC(=S)Nc1c(C)cc(Br)cc1C 225193545 JXTGPAQBLFXDAJ-NSHDSACASA-N 329.307 4.541 0 40 EJAB Cc1cc(OCc2ccccc2)ccc1C(=O)COCc1ccccc1 382703882 QVVSDOVOJPWNNR-UHFFFAOYSA-N 346.426 4.974 0 40 EJAB Cc1cc(Cl)ccc1OCCCC(=O)Nc1ccc(F)cc1F 2080175 GDFNMEZWSFOFSU-UHFFFAOYSA-N 339.769 4.724 0 40 EJAB Cc1nn2c(NCC(C)C)c3c(nc2c1-c1ccccc1)CCCC3 2353858 DBEFTGFMEDUPLX-UHFFFAOYSA-N 334.467 4.651 0 40 EJAB CCOc1ccc(-c2cnc(NCc3ccc(CC)cc3)n2C)cc1 4679005 DFOVXTRGCQKUCV-UHFFFAOYSA-N 335.451 4.660 0 40 EJAB CCOc1ccc(NC(=O)c2ncc(Cl)c(Cl)c2Cl)cc1 6510242 MHJPXPYRVMDQMR-UHFFFAOYSA-N 345.613 4.693 0 40 EJAB O=C(CSCCCSCC(=O)c1ccccc1)c1ccccc1 6863981 RWLXURICNKKQON-UHFFFAOYSA-N 344.501 4.609 0 40 EJAB CN(Cc1ccccc1F)C(=O)C(c1ccccc1)c1ccccc1 7265751 MHUUXNHJZNKMSC-UHFFFAOYSA-N 333.406 4.616 0 40 EJAB Cc1nc(COc2ccc(C(=O)Nc3ccccc3C)cc2)cs1 7918119 QUORGHWBYKKUIF-UHFFFAOYSA-N 338.432 4.591 0 40 EJAB COc1ccc(CNc2ccccc2Cl)cc1Br 8160214 OAZGCFXHJRUBNQ-UHFFFAOYSA-N 326.621 4.723 0 40 EJAB CCOc1cccc(NC(=O)CSCc2cccc(Cl)c2)c1 10294110 OBRMHPXUQDFVER-UHFFFAOYSA-N 335.856 4.611 0 40 EJAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 13646844 DNHJSLMRLCIQGI-JKSUJKDBSA-N 337.463 4.729 0 40 EJAB CC(=O)c1ccccc1NC(=O)/C=C/c1ccc(C(F)(F)F)cc1 14378811 RCBPBGFWKWSACV-DHZHZOJOSA-N 333.309 4.560 0 40 EJAB FC(F)n1c(CSc2nc3ccccc3o2)nc2ccccc21 14901970 CCECQDDHZZTLTG-UHFFFAOYSA-N 331.347 4.865 0 40 EJAB Cc1ccc(Nc2ncnc3c2cnn3-c2cccc(Cl)c2)cc1 17042526 ZSHFZNRNQKPGIL-UHFFFAOYSA-N 335.798 4.521 0 40 EJAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1cccc(C(F)(F)F)c1 20459379 FTJNVCMJLWPMSK-INIZCTEOSA-N 337.341 4.810 0 40 EJAB CC[C@@H](NC(=O)COc1cc(C)c(Cl)c(C)c1)c1ccccc1 20459850 FPKJHXYFWSAMEC-QGZVFWFLSA-N 331.843 4.603 0 40 EJAB Cc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)c(C)c1 20486156 IPRDXLHLNDQDMO-RBUKOAKNSA-N 339.479 4.873 0 40 EJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NC1CCCCCC1 22517501 WWMSKLXSLQZYRL-LJQANCHMSA-N 325.452 4.836 0 40 EJAB O=C(Nc1ccc(Br)cc1)c1sccc1-n1cccc1 25153103 LKKHXYZKXSWQDI-UHFFFAOYSA-N 347.237 4.554 0 40 EJAB CCOc1ccccc1C(=O)N(Cc1ccc(C)cc1)c1ccccn1 27580220 AMYHTDINKFAAGB-UHFFFAOYSA-N 346.430 4.636 0 40 EJAB Cc1cc(C)c2c(C)c(C(=O)Nc3onc4c3C[C@H](C)CC4)oc2c1 27580572 VEFDYWVXJZIOGJ-SNVBAGLBSA-N 338.407 4.723 0 40 EJAB COc1ccc(-c2cc(CNc3cc(Cl)ccc3OC)on2)cc1 32865630 OUZARGFMGKDGJG-UHFFFAOYSA-N 344.798 4.624 0 40 EJAB Cc1cc(=O)oc2c(C)c(OCc3coc(-c4ccccc4)n3)ccc12 32958197 BGJFQFMGYBJBNU-UHFFFAOYSA-N 347.370 4.644 0 40 EJAB OC1=Nc2nc(N3CCCCC3)sc2[C@H](c2ccc(F)cc2F)C1 36354347 SZXFESORFBZKHE-LBPRGKRZSA-N 349.406 4.535 0 40 EJAB COc1ccccc1NC(=O)c1ccc(-c2ccccc2F)s1 36396264 KOHWHDXIKSZUEP-UHFFFAOYSA-N 327.380 4.815 0 40 EJAB O=C(Nc1cccc(OC(F)(F)F)c1)Nc1ccc(F)cc1F 51354098 UMNJWCFMMUNRQD-UHFFFAOYSA-N 332.228 4.507 0 40 EJAB CC[C@@H](NC(=O)[C@@H](C)c1c(C)noc1C)C12CC3CC(CC(C3)C1)C2 58419528 SOMGHNAOCKBOGS-CJAGJDIGSA-N 344.499 4.506 0 40 EJAB O=C(c1ccc(F)cc1)c1ccc(Oc2cnc3ccccc3n2)cc1 58583111 JFNUSYDNATZQHP-UHFFFAOYSA-N 344.345 4.792 0 40 EJAB CCOc1ccccc1C(=O)Nc1ccc2nc(C3CC3)sc2c1 63962764 FEXJPYUYDVLEJZ-UHFFFAOYSA-N 338.432 4.825 0 40 EJAB O=C(OCc1cc(-c2cccs2)on1)c1sccc1C1CC1 64124172 JOOVCKCLLHZNIX-UHFFFAOYSA-N 331.418 4.699 0 40 EJAB O=C(O)c1ccc(COc2ccc(OCc3ccccc3)cc2)cc1 96537765 HDRJJHRBBDVCSU-UHFFFAOYSA-N 334.371 4.543 0 40 EJAB Fc1ccc(CN2CC=C(c3nc4ccccc4o3)CC2)c(Cl)c1 216783969 KJZFJLVDOSOHEK-UHFFFAOYSA-N 342.801 4.910 0 40 EJAB CC1(C)C[C@H](NC(=O)CCc2ccccc2Cl)c2ccccc2O1 220016804 SIGSWICQHOYJND-KRWDZBQOSA-N 343.854 4.691 0 40 EJAB O=C(COc1ccc2ccccc2c1)NCc1ccc2ccccc2c1 222815341 NHUZQROIRKJQAE-UHFFFAOYSA-N 341.410 4.688 0 40 EJAB C[C@@H](Oc1cccc2ccccc12)C(=O)NC(C)(C)CC(C)(C)C 224286893 NBKXIILYRKRPHN-OAHLLOKOSA-N 327.468 4.938 0 40 EJAB CCOc1ccc(CNC(=S)Nc2ccc(C(C)C)cc2)cc1 225429216 RGRRUJJTABFOAY-UHFFFAOYSA-N 328.481 4.695 0 40 EJAB Cc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)cc1 225791911 XNEHKTJCWJOXMD-DLBZAZTESA-N 337.463 4.519 0 40 EJAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NC(C)(C)Cc1ccccc1 225874347 JCBKUJYAGJOERI-LJQANCHMSA-N 339.479 4.598 0 40 EJAB Cc1cc(-c2cccc(Br)c2)ncc1Br 536955320 WNVOTMGXZWFDSD-UHFFFAOYSA-N 327.019 4.582 0 40 EJAB CSc1ccc(NC2(C)CCN(C(=O)OC(C)(C)C)CC2)cc1 1565504669 AOULTZUNZVDYPA-UHFFFAOYSA-N 336.501 4.610 0 40 EJAB Cc1ccc(-n2nnnc2-c2ccc(C(C)(C)C)cc2)cc1Cl 411268 YVJBHNWSCSQGIA-UHFFFAOYSA-N 326.831 4.589 0 40 EJAB CCn1c(SCc2ccccc2Cl)nnc1-c1ccc(O)cc1 422578 BNUYFRYRMNBPIS-UHFFFAOYSA-N 345.855 4.616 0 40 EJAB O=C1c2ccccc2C(=O)N1c1ccc(Oc2ccccc2)c(Cl)c1 482294 YRMAZMYMTBWUQN-UHFFFAOYSA-N 349.773 4.933 0 40 EJAB CC1(C)C[C@H]2C[C@](C)(CN2C(=O)COc2cccc3ccccc23)C1 520338 XVEVHEMDUBNXEZ-JTSKRJEESA-N 337.463 4.646 0 40 EJAB O=C1N(c2cccc(Cl)c2)[C@H](c2ccc(Cl)cc2)N2CCCN12 548447 CQOBLKLDYYWEQP-MRXNPFEDSA-N 348.233 4.555 0 40 EJAB CCCCOc1ccccc1NC(=O)/C=C/c1ccccc1OC 1782308 PXSMSKCYSQNRNQ-BUHFOSPRSA-N 325.408 4.526 0 40 EJAB O=C(Nc1ccc(Cl)cc1)Nc1cccc(Br)c1 2738738 MTFXASDBOQSEGZ-UHFFFAOYSA-N 325.593 4.747 0 40 EJAB CCC(=O)O[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 4015076 XTAARPJDFFXHGH-PJOSQKIZSA-N 346.511 4.920 0 40 EJAB biogenic COc1cccc2sc(Nc3nc4c(OC)cccc4s3)nc12 4121602 VECNFWHOVUBSAC-UHFFFAOYSA-N 343.433 4.667 0 40 EJAB O=C(/C=C/c1ccccc1)Nc1ccc(-c2cn3ccccc3n2)cc1 4370813 OCBUYOFGWHSGPW-NTEUORMPSA-N 339.398 4.653 0 40 EJAB CC[C@@H]1Oc2c(OC)cccc2[C@@H]2CC(c3ccc(Cl)cc3)=NN12 5532570 VQRSHEPBZSIBCI-WMZOPIPTSA-N 342.826 4.628 0 40 EJAB Cc1c(C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)oc2ccccc12 6995132 UWJOETCVJHFHAI-JTQLQIEISA-N 326.421 4.575 0 40 EJAB CCOc1ccc([C@H](C)NC(=O)Cc2ccc3ccccc3c2)cc1 10977754 ZQCFPYNUCMKBMS-INIZCTEOSA-N 333.431 4.658 0 40 EJAB CCN(CC)C(=O)c1cc2c(C)nn(-c3ccccc3Cl)c2s1 12802176 KTHLEIDLWNULCL-UHFFFAOYSA-N 347.871 4.531 0 40 EJAB O=C(CSCc1c(F)cccc1Cl)N1CCCc2ccccc21 13647125 YVUZFRMTSHJOER-UHFFFAOYSA-N 349.858 4.692 0 40 EJAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)Nc1ccccc1F 14137769 LNIAWEVLNJYOTH-LLVKDONJSA-N 329.400 4.660 0 40 EJAB CCOc1c(Cl)cc(C(=O)Nc2ccc(C)cc2C)cc1OC 16031308 ADPTYKCDUDFNMP-UHFFFAOYSA-N 333.815 4.616 0 40 EJAB Fc1ccc(CNCc2ccccc2OCc2ccc(F)cc2)cc1 16449734 JPXDFWADKQSRPF-UHFFFAOYSA-N 339.385 4.834 0 40 EJAB CCc1ccc(NC(=S)NCCSc2ccc(C)cc2)cc1 18138947 QDICSIZCHVFTLV-UHFFFAOYSA-N 330.522 4.636 0 40 EJAB CC[C@H](NC(=O)COc1cc(C)c(Cl)c(C)c1)c1ccc(C)cc1 20485988 UHIKHBXHIWYCQQ-SFHVURJKSA-N 345.870 4.912 0 40 EJAB COc1cc(OC)c(NC(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)cc1Cl 22006915 KWMYFDUKMMWRJG-BDJLRTHQSA-N 337.847 4.534 0 40 EJAB COc1ccc(S[C@H](C)C(=O)Nc2ccc(Cl)cc2C)cc1 25368213 PRWGVEATADUNSC-GFCCVEGCSA-N 335.856 4.776 0 40 EJAB COc1ccc(C(=O)N(Cc2ccco2)c2ccc(Cl)cc2)cc1 27795296 MECHIMBELTUXQQ-UHFFFAOYSA-N 341.794 4.789 0 40 EJAB Cc1ccc(CN(C)C(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 30873847 LVNWCHYYDKYBGI-INIZCTEOSA-N 345.870 4.691 0 40 EJAB CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)NCc1ccco1 40156499 WETUNELEYGKPRW-UHFFFAOYSA-N 341.238 4.707 0 40 EJAB O[C@@H](c1ccc(Cl)c(Cl)c1)c1ccccc1Br 40260238 ARKIOCDQBQGVSK-ZDUSSCGKSA-N 332.024 4.838 0 40 EJAB O=C(NCc1ccc2ccccc2c1)c1ccccc1Br 45201130 CQMSZNPPVFDFKF-UHFFFAOYSA-N 340.220 4.532 0 40 EJAB C[C@H](Sc1nccn1C)c1cccc(NC(=O)c2ccccc2)c1 53352546 UELFDLHUNFPYDT-AWEZNQCLSA-N 337.448 4.526 0 40 EJAB COc1ccc(-c2nnc(CN(C)c3cccc4ccccc34)o2)cc1 55059447 RFJZNOREYFCQQR-UHFFFAOYSA-N 345.402 4.535 0 40 EJAB Cc1ccc(-c2cc(C(=O)Nc3ccc(C(F)(F)F)cc3)n[nH]2)cc1 57477050 XJQNZTKHWIDXHG-UHFFFAOYSA-N 345.324 4.656 0 40 EJAB c1ccc(-n2nc(CSc3nc4ccccc4o3)c3c2CCC3)cc1 60278630 XTUKGIBYQWGWRS-UHFFFAOYSA-N 347.443 4.795 0 40 EJAB Cc1nc(-c2ccc(NC(=O)c3cc(C)n(C4CC4)c3C)cc2)oc1C 65811107 OQOBMWPAIPZUPI-UHFFFAOYSA-N 349.434 4.964 0 40 EJAB O=[S@](Cc1nc2ccccc2s1)Cc1ccc(F)cc1Cl 69350800 LLZZPFUEQXZIPE-OAQYLSRUSA-N 339.844 4.538 0 40 EJAB C[C@H]1c2[nH]c3ccccc3c2CCN1Cc1ncc(-c2ccccc2)o1 71812732 ZDTVFUUYPRCAHG-HNNXBMFYSA-N 343.430 4.942 0 40 EJAB Cc1cc(C)c(NC(=O)c2csc(-c3cccs3)n2)c(Cl)n1 78000718 UEHISCOGCZYZKG-UHFFFAOYSA-N 349.868 4.789 0 40 EJAB O=C(CCc1ccccc1F)N(Cc1ccccc1)Cc1ccccc1 78958595 IWRZPJCASWJQQS-UHFFFAOYSA-N 347.433 4.987 0 40 EJAB COc1ccc(C2=CCN([C@@H](C)c3c(F)cccc3F)CC2)cc1 84647281 MBNYBFQUHOCONE-AWEZNQCLSA-N 329.390 4.824 0 40 EJAB Clc1ccc2nc(CNc3ccccc3N3CCCCC3)cn2c1 95347352 DMGSKNOSVDTSHB-UHFFFAOYSA-N 340.858 4.590 0 40 EJAB Cc1cc(Cl)ccc1NC(=O)c1nn(CC(C)C)cc1C(F)F 95447045 IKFVXOBZQIGELB-UHFFFAOYSA-N 341.789 4.691 0 40 EJAB C[C@H](NC(=O)c1ccc(Cl)cc1F)c1ccc2c(c1)CCCC2 223000506 AJUMLSHLWGRKSA-LBPRGKRZSA-N 331.818 4.849 0 40 EJAB Cc1ccc(C(=O)Nc2ccccc2C(=O)c2ccccc2)c(C)c1 223780769 KAHPPJVEIGDOLG-UHFFFAOYSA-N 329.399 4.787 0 40 EJAB O=C(CCc1c(Cl)cccc1Cl)NCCC1=CCCCC1 225349078 GMWKANZTCTUETN-UHFFFAOYSA-N 326.267 4.933 0 40 EJAB COc1ccc(NC(=S)N[C@H]2CCCc3ccccc32)cc1Cl 225459620 WQHWHCRYXWOGFX-INIZCTEOSA-N 346.883 4.713 0 40 EJAB Cc1cc(Cl)ccc1NC(=O)c1snnc1-c1ccc(F)cc1 225778444 BVKIBMSJLOEDJG-UHFFFAOYSA-N 347.802 4.558 0 40 EJAB CCCCOc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cn1 225859234 ROLXZKFNBXQDBD-UHFFFAOYSA-N 338.451 4.711 0 40 EJAB Cc1cc(NC(=O)c2cc(F)cc3cccnc23)cc(C(F)(F)F)c1 1586851862 PBGJSLWSROUFDF-UHFFFAOYSA-N 348.299 4.953 0 40 EJAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)C(=O)[C@@H](C)C[C@H]32)C1 2049238285 CEDMTUMXNJENDO-KDHMNQFPSA-N 344.495 4.696 0 40 EJAB COc1ccccc1COc1cc2oc(=O)c(C)c(C)c2cc1Cl 488691 ZJYOSCMQWPXWNS-UHFFFAOYSA-N 344.794 4.651 0 40 EJAB CCc1nc2ccc(F)cc2c(C(=O)N[C@@H]2CCCC[C@@H]2C)c1C 920361 WEKTWUWLWLMTRG-YVEFUNNKSA-N 328.431 4.553 0 40 EJAB CCc1ccccc1NC(=O)[C@H]1[C@@H](c2ccccc2)C1(Cl)Cl 2188547 QQAFPMSTDLZFFD-HZPDHXFCSA-N 334.246 4.775 0 40 EJAB O=C(COc1ccc(Cl)cc1C1CCCCC1)NC1CCCC1 2648568 MKHQMOGDHHSAAE-UHFFFAOYSA-N 335.875 4.825 0 40 EJAB CC[C@H](C)c1ccccc1OC[C@@H](O)CNC(C)(C)CC(C)(C)C 2694449 HVYPGZIRVLSJMJ-IRXDYDNUSA-N 335.532 4.744 0 40 EJAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1c(F)cccc1F 3126697 VYVBHAWOABBRJR-GFCCVEGCSA-N 333.378 4.668 0 40 EJAB O=C(c1cccc(Oc2ccccc2)c1)N1CCc2ccccc2C1 3234332 VHHKOXGPDYCAKA-UHFFFAOYSA-N 329.399 4.677 0 40 EJAB Cc1sc2ncnc(N[C@@H](C)c3ccc(-n4ccnc4)cc3)c2c1C 3456279 CUXUBZXFIYTVHM-ZDUSSCGKSA-N 349.463 4.667 0 40 EJAB c1ccc(Nc2c(-c3c[nH]c4ccccc34)nc3cnccn23)cc1 3896536 URXKJFJUXICTPB-UHFFFAOYSA-N 325.375 4.621 0 40 EJAB CCc1ccc(N2C[C@@H](c3nc4ccccc4n3C(C)C)CC2=O)cc1 4033274 LWAHWRYZQQKHCM-KRWDZBQOSA-N 347.462 4.700 0 40 EJAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](C1)C(=O)C[C@H]1[C@H]3CCC[C@@]3(C)CC[C@H]12 5227329 KDFBVYUYNLYXGM-PITAUUNKSA-N 332.484 4.530 0 40 EJAB COC(=O)c1c(NC(C)=O)sc2c1CCCCCCCCCC2 5631888 YPIZOVPLPSRJES-UHFFFAOYSA-N 337.485 4.713 0 40 EJAB CCSc1ccccc1C(=O)Nc1cccc(Br)c1 6439990 LUCHPZSUVGJDFQ-UHFFFAOYSA-N 336.254 4.813 0 40 EJAB CCOc1ccccc1NC(=O)COc1cc(C)cc(C(C)C)c1 6508757 YEFIQVKPVJLMDQ-UHFFFAOYSA-N 327.424 4.535 0 40 EJAB COc1ccc(Cl)cc1NC(=O)CCSCc1ccccc1 7685392 HOVWDYUDEMLQLB-UHFFFAOYSA-N 335.856 4.611 0 40 EJAB Cc1ccc(C)c(C(=O)NCc2ccc(-c3csc(C)n3)s2)c1 7820633 UCKWFENKQPDJOR-UHFFFAOYSA-N 342.489 4.727 0 40 EJAB Cc1ccc(/C=C2/S/C(=N/c3cccc(Cl)c3C)NC2=O)cc1 8371570 WVSAKEBWXLBRAA-MHWRWJLKSA-N 342.851 4.848 0 40 EJAB CCOc1ccc2oc(C(=O)N3CCC[C@H]4CCCC[C@@H]43)c(C)c2c1 9536007 ZWRWLGWDGKOTEK-QAPCUYQASA-N 341.451 4.935 0 40 EJAB COc1ccc2cc(CNC(=O)c3cc(C)n(C4CC4)c3C)ccc2c1 9942187 RYULZYVSDFBXPL-UHFFFAOYSA-N 348.446 4.532 0 40 EJAB Fc1cccc(NC(=S)NCc2ccc(Cl)cc2Cl)c1 13815175 CWHOINFSTSCYIR-UHFFFAOYSA-N 329.227 4.619 0 40 EJAB CC(=O)c1c(C)[nH]c(C(=O)CN[C@@H](C)c2ccc3ccccc3c2)c1C 14124183 SCIIABVPOSOHJU-AWEZNQCLSA-N 348.446 4.521 0 40 EJAB Cc1ccc2cc(COC(=O)CCc3ccccc3)c(Cl)nc2c1 15152695 HTWYLACXWKOZMJ-UHFFFAOYSA-N 339.822 4.873 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2)c(C)c1 20460746 BOWCZYDSAZQTRE-CABCVRRESA-N 331.843 4.602 0 40 EJAB COc1ccc([C@H](C)NC(=O)c2cc(SC)ccc2Cl)cc1 20551171 MTHNCEUDUFJLKV-NSHDSACASA-N 335.856 4.562 0 40 EJAB O=C(/C=C/c1ccccc1)Nc1c(-c2ccccc2)nc2sccn12 25739278 XRYOGDRIFHJOBX-VAWYXSNFSA-N 345.427 4.715 0 40 EJAB O=C(N[C@@H]1Sc2ccccc2N=C1c1ccccc1)c1ccccc1 28294056 RSSZHFDUKPNHRG-OAQYLSRUSA-N 344.439 4.669 0 40 EJAB Cc1c(Cl)cccc1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1 46895194 UAKNWQXWPYLNFC-UHFFFAOYSA-N 346.217 4.740 0 40 EJAB CCSc1ccccc1NC(=O)N1CCC[C@@H]1c1ccncc1 47857375 GSIJSKTVTHNDRG-MRXNPFEDSA-N 327.453 4.563 0 40 EJAB CC[C@@H]1c2ccsc2CCN1C(=O)Nc1ccc2[nH]ccc2c1 69419480 WRFUYHCIUSIOCV-MRXNPFEDSA-N 325.437 4.771 0 40 EJAB Cc1nc(NCc2cccc(O)c2)c2c(-c3ccccc3)csc2n1 71816942 KNJWWNMECINITK-UHFFFAOYSA-N 347.443 4.984 0 40 EJAB Cc1nc(-c2ccc(OCc3ccccc3F)c(C(=O)O)c2)cs1 85397498 OXWXXFINIURAFF-UHFFFAOYSA-N 343.379 4.535 0 40 EJAB C[C@@H](NCCc1nc(-c2ccccn2)cs1)c1cc2ccccc2o1 90044502 FNEOAXMSVRTRRA-CQSZACIVSA-N 349.459 4.845 0 40 EJAB CC(C)c1noc(-c2ccccc2NC(=O)c2ccc(Cl)cc2)n1 96346603 IERZIDDDNKDSRW-UHFFFAOYSA-N 341.798 4.766 0 40 EJAB CC(C)c1ccc(OCC(=O)NCCCc2ccc(Cl)cc2)cc1 218960819 DVFGETFMOPOSFF-UHFFFAOYSA-N 345.870 4.591 0 40 EJAB COc1ccc(C(=O)NC2CCCC2)cc1CSc1ccccc1 224321464 LYLHKUIQZRTFJB-UHFFFAOYSA-N 341.476 4.660 0 40 EJAB Cc1c(Cl)cccc1NC(=O)c1snnc1-c1ccc(F)cc1 225778418 VELGZDRDWSOQBQ-UHFFFAOYSA-N 347.802 4.558 0 40 EJAB Cc1cc(C)c(NC(=O)CCc2nc(-c3ccccc3C)no2)c(C)c1 225816804 DAFRSEJFYRZMJX-UHFFFAOYSA-N 349.434 4.542 0 40 EJAB CCOc1ccc(NC(=S)NC2(c3cccs3)CCCC2)cc1 225848526 IPWVRNQMWUAMDZ-UHFFFAOYSA-N 346.521 4.903 0 40 EJAB Cc1ccccc1C1(NC(=S)Nc2cccc(F)c2)CCCC1 225854990 JPOOSSNNXQNMKZ-UHFFFAOYSA-N 328.456 4.890 0 40 EJAB C[C@H](N[C@H](c1cc(F)ccc1F)C1CC1)c1ccc([S@](C)=O)cc1 252486196 GNTTXLPMWGIIQE-JGWMJADOSA-N 349.446 4.504 0 40 EJAB c1ccc(-c2ccc(Oc3ncncc3-c3ccccc3)cn2)cc1 537037328 AYHMLSLHRDQEJV-UHFFFAOYSA-N 325.371 4.998 0 40 EJAB C[C@H](Cc1csc2ccccc12)NC(=O)CSC1CCCC1 1888928866 FCXFZJPUTPLPFU-CYBMUJFWSA-N 333.522 4.624 0 40 EJAB CC(=O)Nc1ccccc1OC(=O)c1sc2ccccc2c1Cl 523502 DBQVYOHNXFBIIH-UHFFFAOYSA-N 345.807 4.732 0 40 EJAB CCN(CC)c1ccc(NC(=O)c2ccc(OC)c(Cl)c2)c(C)c1 568396 GSZKXVWHKOLUIG-UHFFFAOYSA-N 346.858 4.756 0 40 EJAB CCc1ccc(-c2cc(C(F)(F)F)n3nc(C)c(Cl)c3n2)cc1 2786633 VOHRHRKBUAVQCD-UHFFFAOYSA-N 339.748 4.939 0 40 EJAB CCCOc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1OCC 3524931 LYVCBPORUCABIC-UHFFFAOYSA-N 333.815 4.780 0 40 EJAB Cc1ccc(C23CC4CC(CC(C4)C2)C3)cc1NC(=O)C(F)(F)F 4258290 BFCQMLROQBQQSB-UHFFFAOYSA-N 337.385 4.964 0 40 EJAB Cc1ccccc1OCC(=O)Nc1ccc2c(c1)oc1ccccc12 4854340 NDNWTSWTORVKLD-UHFFFAOYSA-N 331.371 4.912 0 40 EJAB Cc1ccc(-c2cc(NC(=O)c3oc4ccccc4c3C)on2)cc1 5487186 LRQWEFSFAITDBX-UHFFFAOYSA-N 332.359 4.957 0 40 EJAB Cc1c(C(=O)NCc2ccc(F)cc2)oc2c1ccc1ccccc12 6610413 UBXOIGBDINNNHO-UHFFFAOYSA-N 333.362 4.964 0 40 EJAB CCCNCc1cc(Cl)c(OCc2ccccc2F)c(OC)c1 7262329 VYHWGFNASWVUBD-UHFFFAOYSA-N 337.822 4.566 0 40 EJAB CCCOc1c(Cl)cc(C(=O)Nc2ccccc2)cc1OCC 7609451 ZIUMDMNIDFFLNC-UHFFFAOYSA-N 333.815 4.780 0 40 EJAB CCOC(=O)c1c(-c2cc(C)ccc2C)csc1NC(=O)C1CC1 7778086 AOTXKFIGWOLPFZ-UHFFFAOYSA-N 343.448 4.557 0 40 EJAB CC1=CSC2=CC=C(C(F)(F)F)C[C@@](O)(c3ccc(C)cc3)N12 8782854 NCNFCOZRUZENTP-MRXNPFEDSA-N 339.382 4.784 0 40 EJAB Cc1cc(C)c2[nH]c(=O)c(CNc3cccc(C(F)(F)F)c3)cc2c1 12493035 LEWKGPNOCBXGSU-UHFFFAOYSA-N 346.352 4.776 0 40 EJAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(C)oc1C 12753273 QLKSBMANGKZTFC-UHFFFAOYSA-N 341.329 4.956 0 40 EJAB Cc1nn(CC(C)C)c2sc(C(=O)N[C@H](C)c3ccccc3)cc12 12855834 CLKONFUCIDENBD-CYBMUJFWSA-N 341.480 4.553 0 40 EJAB CCc1ccccc1O[C@@H](C)C(=O)N[C@@H](C)c1cc(C)ccc1C 20044381 ZMHSWGKZKLJLIV-IRXDYDNUSA-N 325.452 4.511 0 40 EJAB COc1ccc(CCC(=O)N[C@@H](CC(C)C)c2ccccc2)cc1 23054067 DANVCHNKZVCRDR-FQEVSTJZSA-N 325.452 4.531 0 40 EJAB Cc1ccc(CN(C)C(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 44843784 IRXJMOIWXIXYJT-KRWDZBQOSA-N 339.479 4.718 0 40 EJAB CC[C@@H](C)Sc1ccc(NC(=O)[C@H]2CCOC2)c(C(F)(F)F)c1 60306419 SXCDAEOTHDUENZ-MNOVXSKESA-N 347.402 4.571 0 40 EJAB Cn1nccc1[C@H]1CCCN(Cc2sc3ccccc3c2Cl)C1 71808727 WDUDFPWQJNLLKU-ZDUSSCGKSA-N 345.899 4.668 0 40 EJAB CCc1cccnc1NCc1csc(COc2ccc(C)cc2)n1 95434275 LYWQRQMGFJWWPF-UHFFFAOYSA-N 339.464 4.600 0 40 EJAB CC(C)n1ccc2c(C(=O)N[C@@H](C)c3nc4ccccc4[nH]3)cccc21 96118857 ZADOLLDBDSWQNQ-AWEZNQCLSA-N 346.434 4.590 0 40 EJAB CN(Cc1ccncc1)C(=O)Nc1sc2ccccc2c1Cl 96406753 XQWALHSFXIPDBE-UHFFFAOYSA-N 331.828 4.614 0 40 EJAB C[C@H]1C(=O)Nc2ccc(-c3csc(NC4CCCCC4)n3)cc21 100487397 IJZPLLGYKUGDQP-LLVKDONJSA-N 327.453 4.610 0 40 EJAB Cc1noc2c1[C@H](c1cccc(F)c1)C1=C(O)CC(C)(C)CC1=N2 102736676 AMJSWTWOXLZYPP-INIZCTEOSA-N 326.371 4.972 0 40 EJAB C[C@H]1C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1[C@@H](C)N 118930502 XIWYUYGZLTUXIP-MLJASQLDSA-N 331.544 4.520 0 40 EJAB Cc1ccc(O[C@H](C)C(=O)NCc2ccc3ccccc3c2)cc1C 222801059 GCKPUANVAMPBHD-QGZVFWFLSA-N 333.431 4.540 0 40 EJAB Cc1ccc(SCC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1 222903282 BWYQESGAQLIEMR-INIZCTEOSA-N 339.504 4.843 0 40 EJAB CCOc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1COC 224683856 AJALGOVKYYNQNY-UHFFFAOYSA-N 327.424 4.607 0 40 EJAB Cc1cc(Cl)ccc1NC(=O)Cc1cccc(Br)c1 225613355 UYUFXWOUZDEIPH-UHFFFAOYSA-N 338.632 4.592 0 40 EJAB CCc1ccc([C@H](C)NC(=O)CCCOc2ccc(Cl)cc2)cc1 225823856 JHSSAHMWSICIIQ-HNNXBMFYSA-N 345.870 4.939 0 40 EJAB Cc1cc(Nc2cc(Cl)ccc2Oc2ccccc2)nc(N)n1 225842263 QPTKCBBAJOSRSJ-UHFFFAOYSA-N 326.787 4.557 0 40 EJAB CCCOc1ncc(NC(=O)C2(OCCC)CCCCCC2)cc1C 225910271 GOZBECMTNFPVNB-UHFFFAOYSA-N 348.487 4.637 0 40 EJAB CCc1c(C)nc2sc(C(=O)c3cccc(Cl)c3)c(N)c2c1C 377325 HFFPQNSYMIWUTB-UHFFFAOYSA-N 344.867 4.942 0 40 EJAB CCN(CC)CCCCCCNc1cc(OC)cc2cccnc12 1729636 AQOLDVFUTYGJGY-UHFFFAOYSA-N 329.488 4.558 0 40 EJAB CC(=O)Nc1ccc(C(=O)Nc2ccccc2-c2ccccc2)cc1 2652489 ZJULXYOLNUDOQE-UHFFFAOYSA-N 330.387 4.564 0 40 EJAB Cc1sc2ncnc(N3CCC(Cc4ccccc4)CC3)c2c1C 2886677 MGHKMOAFVBZRIF-UHFFFAOYSA-N 337.492 4.767 0 40 EJAB Cc1ccc2c(CC(=O)OCc3ncc(-c4ccccc4)o3)coc2c1 3503888 XXFIETCCCOEGQX-UHFFFAOYSA-N 347.370 4.682 0 40 EJAB Cc1cnc(NC(=O)COc2cc(C)c(Cl)cc2C(C)C)s1 3555808 YMOFGZQJSOYVSI-UHFFFAOYSA-N 338.860 4.554 0 40 EJAB O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1Cl 3941073 HMKDYGNZZSWEJB-UHFFFAOYSA-N 338.278 4.940 0 40 EJAB CCOc1ccc(C(=O)Nc2nc3c(C)ccc(Cl)c3s2)cc1 4331341 BTBAHKOWSFISED-UHFFFAOYSA-N 346.839 4.909 0 40 EJAB O=C(Nc1ccc(F)cc1F)c1ncoc1-c1ccc(Cl)cc1 5002040 WYALQMNRTDQMBY-UHFFFAOYSA-N 334.709 4.526 0 40 EJAB CCc1nnc(NC(=O)c2cc(-c3ccccc3Cl)oc2C)s1 5059624 QDXVQHJWAKCQAE-UHFFFAOYSA-N 347.827 4.575 0 40 EJAB CCCCCOc1ccc(C(=O)NC(C)C)cc1OCCCCC 5419164 QIYWJGUXFPBRTG-UHFFFAOYSA-N 335.488 4.963 0 40 EJAB Cc1cc(C(=O)COC(=O)c2ccc3ccccc3c2)c(C)n1C1CC1 5462279 FCQULHDJJJABEY-UHFFFAOYSA-N 347.414 4.633 0 40 EJAB COc1ccc2c(c1)CC/C(=C\C1(Sc3ccccc3)CC1)[C@H]2O 5496553 OKRCZDYMOXUSCU-KETLNSEPSA-N 338.472 4.926 0 40 EJAB Cc1ccc(-c2nn(CNc3ccccc3Cl)c(=S)o2)cc1 5617969 OGPPPUOABDHCKJ-UHFFFAOYSA-N 331.828 4.904 0 40 EJAB O=C1/C(=C/c2ccc(F)c(Br)c2)Sc2ccccc21 6496326 KZZLMBCHJUKROY-ZSOIEALJSA-N 335.197 4.918 0 40 EJAB CC[C@@H](C)c1ccccc1NC(=O)c1ccc(COC(C)=O)cc1 6935990 FLWNLJDXRJGRDF-CQSZACIVSA-N 325.408 4.516 0 40 EJAB CCCCOc1ccc(C(=O)Nc2ccccc2CC)cc1OC 7724235 QZEBHDMJMSNGGX-UHFFFAOYSA-N 327.424 4.689 0 40 EJAB C[C@@H]1C(=O)Nc2ccc(-c3csc(Nc4ccc(F)cc4)n3)cc21 8042191 UXLJYVNTISNUSL-JTQLQIEISA-N 339.395 4.748 0 40 EJAB CC[C@H](NC(=O)Cc1c(C)nc2ccccc2c1C)c1ccc(C)cc1 8727017 ZLROJZGDLGPNKE-NRFANRHFSA-N 346.474 4.970 0 40 EJAB O=C(Nc1nnc(/C=C/c2ccco2)s1)c1cccc2ccccc12 8742458 QSAMXMLPKOIQLX-ZHACJKMWSA-N 347.399 4.707 0 40 EJAB O=C(NCCSc1ccc(Cl)cc1)c1cc2ccccc2o1 9584438 BNZBEIKCUIYDSR-UHFFFAOYSA-N 331.824 4.608 0 40 EJAB COc1ccc(C)cc1NC(=O)CCc1ccc(C(C)(C)C)cc1 10339050 RFKVLWKLWGICMW-UHFFFAOYSA-N 325.452 4.872 0 40 EJAB COc1ccc(S[C@H](C)C(=O)N[C@@H](C)c2cc(C)ccc2C)cc1 20046137 VAPAPJBGLYLJSW-JKSUJKDBSA-N 343.492 4.670 0 40 EJAB CC[C@H](NC(=O)[C@H](C)Oc1cccc(C)c1C)c1ccc(C)cc1 20454859 YFKNUPKPDIULHY-HKUYNNGSSA-N 325.452 4.647 0 40 EJAB CCc1ccccc1O[C@H](C)C(=O)Nc1ccccc1C(F)(F)F 30847439 MCTIQZSQJASQAR-GFCCVEGCSA-N 337.341 4.674 0 40 EJAB Cc1noc(C)c1C(=O)N[C@@H](c1ccccc1)c1cc2ccccc2o1 39535612 LBQUVXSEUDQSKX-FQEVSTJZSA-N 346.386 4.557 0 40 EJAB Cc1nc(C)c(-c2nnc(SCCCc3ccccc3)o2)s1 40050098 SPVGTHVPLFUEQP-UHFFFAOYSA-N 331.466 4.535 0 40 EJAB CCCOc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cc1 44836930 AXEPVNCUNQNYKH-UHFFFAOYSA-N 338.234 4.712 0 40 EJAB CCCCSc1nnc(SCc2ccc(OC)cc2)s1 57930459 ZPSFXNZXORCAJL-UHFFFAOYSA-N 326.512 4.731 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)c(C)c1 59351644 OSOVGVSUEQFVOB-CVEARBPZSA-N 345.870 4.910 0 40 EJAB CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(F)cc(F)c1 71844336 XKTUJWNLQILUCO-MOPGFXCFSA-N 329.390 4.763 0 40 EJAB C[C@@H]1CCCC[C@@H]1OCc1nc2ccc(-c3ccccc3)cc2c(=O)[nH]1 72051950 JGVIGPQZUQUVSB-QRWLVFNGSA-N 348.446 4.685 0 40 EJAB Cc1cc(Nc2ncnc3c2oc2ccccc23)nn1[C@H](C)C1CC1 96009799 MOCJPMIRXFGKHG-GFCCVEGCSA-N 333.395 4.596 0 40 EJAB COC(=O)CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC[C@@]4(C)CC[C@@H]32)C1 118935755 JVICPCDJSHXXNQ-UMWWKMARSA-N 348.527 4.977 0 40 EJAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccccc1)c1ccc2c(c1)CCCC2 223105109 SLMRRSDFOOQKMP-IIBYNOLFSA-N 337.463 4.600 0 40 EJAB CCCC[C@@H](CC)CNC(=O)CSCc1ccc(Cl)cc1 223406163 OIHWFTPSOVHIAM-CQSZACIVSA-N 327.921 4.906 0 40 EJAB CCc1ccc2oc(-c3cccc(N(C)C(=O)C(F)(F)F)c3)nc2c1 226280967 RTBDMYPWWPBGOL-UHFFFAOYSA-N 348.324 4.582 0 40 EJAB O=C(c1cccc(OCc2cccc(F)c2)c1)C(F)(F)C(F)(F)F 575242698 HDQLRDDRVSXZFE-UHFFFAOYSA-N 348.242 4.785 0 40 EJAB C[C@@H]1S[C@@H](c2ccc(Br)cc2)N(c2ccccc2)C1=O 80607 XPPFSOPMMOZDQI-ZBEGNZNMSA-N 348.265 4.616 0 40 EJAB CC(=O)O[C@@H]1c2cc(C)ccc2N[C@H](c2ccc(F)cc2)C1(C)C 172753 VYOMGGLYTZAYIH-RTBURBONSA-N 327.399 4.931 0 40 EJAB CCC(=O)Oc1ccc(-c2nc(-c3ccccc3)c3ccccn23)cc1 3226572 RMXUGOCNHKGXDG-UHFFFAOYSA-N 342.398 4.984 0 40 EJAB Cn1c(C(=O)NC(c2ccccc2)c2ccccc2)cc2sccc21 4971211 RNBODTHPRPTPFL-UHFFFAOYSA-N 346.455 4.759 0 40 EJAB O=C(O)C[C@@H](c1c(-c2ccccc2)[nH]c2ccccc12)C(F)(F)F 5490309 CKZCHZAZQRRNQE-ZDUSSCGKSA-N 333.309 4.956 0 40 EJAB CCCC(=O)c1cn(CCOc2ccccc2OC)c2ccccc12 6245883 ZPPCOPHUVKNEPX-UHFFFAOYSA-N 337.419 4.712 0 40 EJAB Cc1cc2nc(NC(=O)c3c(Cl)cccc3Cl)[nH]c2cc1C 6922312 GLEOXVGKMVEOQL-UHFFFAOYSA-N 334.206 4.739 0 40 EJAB COc1ccc(NC(=S)NC(c2ccccc2)c2ccccc2)cc1 7517985 KFGRONSYLVZFIX-UHFFFAOYSA-N 348.471 4.771 0 40 EJAB O=C(NC12CC3CC(CC(C3)C1)C2)c1cc2cc(Cl)ccc2o1 8007117 LITGMZRIYRNULN-UHFFFAOYSA-N 329.827 4.785 0 40 EJAB O=C1N[C@H](c2c(-c3ccccc3)[nH]c3ccccc23)Nc2ccccc21 8160944 FIXPZKGKPGMBJP-OAQYLSRUSA-N 339.398 4.689 0 40 EJAB O=C(/C=C/c1ccc(Cl)cc1)Nc1nc(-c2cccs2)ns1 8673401 ZRQRVZYTFIGTNP-VMPITWQZSA-N 347.852 4.572 0 40 EJAB CSc1cccc(NC(=O)c2occc2COc2ccccc2)c1 8749129 CUHRJSAAYMXSPD-UHFFFAOYSA-N 339.416 4.833 0 40 EJAB Clc1ccc(CSc2nnc(-c3ccco3)n2C2CC2)cc1 9143697 VPZHXQAJIYELTK-UHFFFAOYSA-N 331.828 4.819 0 40 EJAB Cc1ccccc1OCc1nnc(SCc2cccc(Cl)c2)o1 9198617 CLLMWNJONRLGRV-UHFFFAOYSA-N 346.839 4.903 0 40 EJAB COc1cc([C@H]2CC(=O)Nc3ccsc32)ccc1OC1CCCC1 12419207 JEDCYIWNMQBLMQ-CQSZACIVSA-N 343.448 4.552 0 40 EJAB Cc1ccc(C(=O)Nc2cc(-c3ccccc3)sc2C(=O)O)s1 12601089 REVMIOVUEOHGRS-UHFFFAOYSA-N 343.429 4.736 0 40 EJAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccc2cc[nH]c2c1 13691194 JEOIVQTWTMSKLV-UHFFFAOYSA-N 333.416 4.852 0 40 EJAB CCCOc1ccc(C(=O)Nc2nc3c(C)ccc(C)c3s2)cc1 14258002 RQWWRHHBDQPKPP-UHFFFAOYSA-N 340.448 4.954 0 40 EJAB CCOc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2OC)cc1 14258172 UOHLKLJFHCPHAI-UHFFFAOYSA-N 340.206 4.653 0 40 EJAB Cc1ccc2cccc(NC(=O)[C@H](C)Oc3ccccc3Cl)c2n1 15835270 HOYCRRYNCAZOSO-ZDUSSCGKSA-N 340.810 4.603 0 40 EJAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)CSc1nc2ccccc2o1 15913850 FNUUPZLUHRSIRV-KEYYUXOJSA-N 347.480 4.924 0 40 EJAB O=S(=O)(c1ccccc1)N(c1ccccc1)c1cccc(Cl)c1 16487933 ITYXXNVAPRIQGY-UHFFFAOYSA-N 343.835 4.867 0 40 EJAB CCc1cccc(C)c1NC(=O)c1cc(F)ccc1Br 19179841 XOXJHTBDURUXKM-UHFFFAOYSA-N 336.204 4.711 0 40 EJAB CCCn1nc(C)c(-c2cncn2[C@H](CC)c2ccc(F)cc2)c1C 19654545 AIOAHZMKKHOVFI-GOSISDBHSA-N 340.446 4.912 0 40 EJAB Cc1ccccc1O[C@H](C)C(=O)N[C@H](CC(C)C)c1ccccc1 20104232 DNKSXOOKSYDNAB-IEBWSBKVSA-N 325.452 4.666 0 40 EJAB O=C(Nc1cccc(-c2ccc(CO)o2)c1)c1ccc2ccccc2c1 20139127 CQBILDWHICFVKH-UHFFFAOYSA-N 343.382 4.844 0 40 EJAB Cc1ccc(CN(C(=O)c2cc(-c3ccc(C)cc3)no2)C2CC2)cc1 31286987 SSERGKTXKQMLBH-UHFFFAOYSA-N 346.430 4.763 0 40 EJAB CC(=O)c1ccccc1NC(=O)CNc1ccc(-c2ccccc2)cc1 32679612 VGSZJIHBARMBFA-UHFFFAOYSA-N 344.414 4.607 0 40 EJAB CSc1ccc(CN(C)C(=O)c2sccc2-n2cccc2)cc1 40047253 PERWVMFYNMRDAS-UHFFFAOYSA-N 342.489 4.533 0 40 EJAB CC[C@@H](NC(=O)[C@H](C)Oc1ccccc1C(C)C)c1ccccc1 44847476 LJHFBRMGRGJOND-QFBILLFUSA-N 325.452 4.845 0 40 EJAB Cc1ccc2[nH]c([C@H]3CCN(Cc4ccc(Cl)cc4)C3)nc2c1 49168983 NYOTXGSFKOVFGP-HNNXBMFYSA-N 325.843 4.514 0 40 EJAB biogenic,in-vitro CC[C@H](NC(=O)N[C@H]1CCCOc2ccc(F)cc21)c1cccs1 54783221 RSGVVVAKOLFAKS-GJZGRUSLSA-N 348.443 4.551 0 40 EJAB Fc1ccccc1CSCc1nc(-c2ccccc2Cl)no1 58158007 OACLONFPDMFXRN-UHFFFAOYSA-N 334.803 4.963 0 40 EJAB Cc1ccc(N2C(=O)/C(=C\c3ccc(C)o3)c3ccccc3C2=O)cc1 72117987 AUTVUWKFQNTLJE-MOSHPQCFSA-N 343.382 4.624 0 40 EJAB CC(C)Sc1ncccc1[C@@H]1CCCCN1C(=O)c1ccccc1 72217577 QYXHYQVOPGNXJK-SFHVURJKSA-N 340.492 4.950 0 40 EJAB Cc1ncn(-c2nc(-c3ccc(Cl)cc3)c3ccccc3n2)c1C 97165832 FIAWKELSHURWEJ-UHFFFAOYSA-N 334.810 4.753 0 40 EJAB Cc1nc2ccc(Cl)cn2c1-c1nnc(-c2cccc(Cl)c2)o1 216607808 QGAADDZUQVGRFJ-UHFFFAOYSA-N 345.189 4.667 0 40 EJAB CCCCOc1cccc(C(=O)n2c(C)c(C=O)c3ccccc32)c1 216957284 CUXTZYBRZKCQLT-UHFFFAOYSA-N 335.403 4.630 0 40 EJAB CC[C@@H](NC(=O)[C@H](C)Oc1ccccc1Cl)c1ccc(C)cc1C 219060942 ABERZECGNQQJIW-MAUKXSAKSA-N 345.870 4.992 0 40 EJAB COc1cc2ccccc2cc1C(=O)N[C@H](C)c1ccc(C)c(C)c1 219394341 PXHKAMJSKJIUCS-MRXNPFEDSA-N 333.431 4.956 0 40 EJAB CCSc1ccccc1NC(=O)[C@@H](CC)Oc1ccccc1OC 219563083 JQMILJHQCKVBFA-OAHLLOKOSA-N 345.464 4.603 0 40 EJAB CC[C@H](NC(=O)CCc1ccccc1F)c1ccc2c(c1)CCCC2 223135241 IQQQBFIFJLJPAC-NRFANRHFSA-N 339.454 4.905 0 40 EJAB CC[C@@H](Oc1ccccc1Cl)C(=O)NC(C)(C)Cc1ccccc1 223924836 MUZQWFQYSLNYFX-QGZVFWFLSA-N 345.870 4.635 0 40 EJAB C[C@H](NC(=S)Nc1ccc2sncc2c1)c1ccc(Cl)cc1 225173777 RUUBHLRMSYZESC-JTQLQIEISA-N 347.896 4.997 0 40 EJAB CCOc1ccc(C(=O)N[C@@H](CC(C)C)c2ccccc2)cc1C 225512036 BJWWWWDDVUUELX-IBGZPJMESA-N 325.452 4.911 0 40 EJAB O=C(NCc1cccc(C(F)(F)F)c1)c1ccc2c(c1)CCCC2 225636413 ZNBAFTCSDUDLCU-UHFFFAOYSA-N 333.353 4.514 0 40 EJAB CCCO[C@](C)(C(=O)Nc1ccc(OCC)c2ccccc12)C1CC1 225858917 FRVBHPXKZGUXAS-NRFANRHFSA-N 341.451 4.772 0 40 EJAB CCc1cc(Br)cc(CC)c1NC(=O)Cc1ccccc1 226097193 SKUCLIWCHAYFKS-UHFFFAOYSA-N 346.268 4.755 0 40 EJAB c1ccc(N2[C@@H]3Sc4ncccc4[C@H]2Sc2ncccc23)cc1 344325 RLVYHVVWFIJYPG-QZTJIDSGSA-N 335.457 4.892 0 40 EJAB CCc1ccccc1-n1ncc(C(=O)Nc2ccc(C)cc2C)c1C 1018247 AOMYRYUWJKNTDS-UHFFFAOYSA-N 333.435 4.612 0 40 EJAB Cc1ccc2c(c1)N(Cc1ccc(Cl)cc1Cl)C(=O)[C@@H](C)O2 1328426 LRYSNGPBWHISSM-LLVKDONJSA-N 336.218 4.616 0 40 EJAB Clc1ccc(Cn2ccc(-c3ccc4c(c3)OCO4)n2)cc1Cl 1394880 UIVOXDBIIMJWAW-UHFFFAOYSA-N 347.201 4.634 0 40 EJAB COc1ccc(-c2cc3ccccc3c(=O)n2Cc2ccccc2)cc1 1612733 VYDPLUKXGFOGDH-UHFFFAOYSA-N 341.410 4.725 0 40 EJAB CCOC(=O)CCCCCCC(=O)c1ccccc1C(F)(F)F 2580322 MUTVDZKVEYQAKM-UHFFFAOYSA-N 330.346 4.792 0 40 EJAB C[C@H]1CCc2cc(F)ccc2N1C(=O)c1cccc(Br)c1 2736729 PRVRAVPVMZSGFJ-NSHDSACASA-N 348.215 4.570 0 40 EJAB COc1ccc(CC(=O)N(C2CCCCC2)C2CCCCC2)cc1 3193279 VKPDNMRAFJQUAL-UHFFFAOYSA-N 329.484 4.732 0 40 EJAB COc1ccc(C(=O)c2oc3ccc(Br)cc3c2C)cc1 3256828 BZKVNJQTPMCDMC-UHFFFAOYSA-N 345.192 4.743 0 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EJAB CCCOc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1 222957796 DUUWQEXHIWUAFA-INIZCTEOSA-N 337.463 4.845 0 40 EJAB O=C(/C=C/c1ccccc1Cl)Nc1ccc(N2CCCC2)cc1 224897706 KZCMMAKWRYMNGI-KPKJPENVSA-N 326.827 4.592 0 40 EJAB CCC[C@@](C)(OC)C(=O)Nc1ccc(OCc2ccccc2)c(C)c1 225613162 NOJAOIZITKSQKE-OAQYLSRUSA-N 341.451 4.718 0 40 EJAB Cc1ccc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)cc1 225672167 URTNPBYUQQLKHM-QGZVFWFLSA-N 340.492 4.892 0 40 EJAB CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OC)c2ccccc12 225820855 DWQPCYBHVKXROQ-FQEVSTJZSA-N 329.440 4.628 0 40 EJAB COc1ccc(NC(=O)C(C)(C)c2ccc(Cl)cc2)cc1Cl 225959877 IEJVCYOSIDNWSV-UHFFFAOYSA-N 338.234 4.918 0 40 EJAB Cc1ccc(-c2nc3cc(N(C)C(=O)C(F)(F)F)cc(C)c3o2)cc1 226269609 GKMPHXDATKXUEV-UHFFFAOYSA-N 348.324 4.637 0 40 EJAB Cc1ccccc1OC(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1 363664 VOYNVVVXDQPWET-QGZVFWFLSA-N 344.410 4.935 0 40 EJAB Cc1ccc(-n2ncc3c(Nc4cccc(C)c4C)ncnc32)c(C)c1 426375 BKQREUJROAOUAL-UHFFFAOYSA-N 343.434 4.793 0 40 EJAB Cc1cc2sc(NC(=O)/C=C/c3ccccc3)nc2cc1Cl 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0 40 EJAB Clc1ccc2nc(-c3ccccc3)n(OCc3ccccc3)c2c1 3063548 MWYQYLOSAIAEME-UHFFFAOYSA-N 334.806 4.986 0 40 EJAB COc1ccc(-c2ccc(SCc3ccccc3F)nn2)cc1 10452413 NTGFSEYTGLMKBT-UHFFFAOYSA-N 326.396 4.584 0 40 EJAB Cc1nn(C)c(C)c1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 12633671 NUBUBNOTJJRGMF-UHFFFAOYSA-N 328.419 4.761 0 40 EJAB Cc1cc(C)cc(NC(=S)N2c3ccc(F)cc3CC[C@H]2C)c1 13829586 HXRXFUZGMOKMCT-CQSZACIVSA-N 328.456 4.981 0 40 EJAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(Br)cc1 14013252 AZDBPCGLRUFLNW-MRXNPFEDSA-N 348.240 4.554 0 40 EJAB C[C@H](SC/C=C/c1ccccc1)C(=O)Nc1cc(F)ccc1F 15493867 YOOUXYKOEUIYNV-LJLILKBBSA-N 333.403 4.738 0 40 EJAB O=C(N[C@@H]1CCSc2c(F)cccc21)c1cc2ccccc2o1 16300603 HGAOFLBSEQHPJX-CQSZACIVSA-N 327.380 4.539 0 40 EJAB CCCCCC[C@H](O)C/C=C/CCCCCCCC(=O)OCCO 16892825 XLMXUUQMSMKFMH-DLENHJPASA-N 342.520 4.530 0 40 EJAB CCCCCCOc1ccccc1C(=O)Nc1cccc(N)c1C 19736318 LUZLTAYAKVWOCO-UHFFFAOYSA-N 326.440 4.789 0 40 EJAB CC[C@@H](C)c1ccccc1OCCNc1cccc(OCCOC)c1 19737568 QVHQDCBILKMBNK-QGZVFWFLSA-N 343.467 4.716 0 40 EJAB CCCOc1ccccc1CNc1ccccc1OCCOCC 19738516 DGHDWTADKOUNSA-UHFFFAOYSA-N 329.440 4.503 0 40 EJAB CC(C)n1nccc1NC(=O)c1sc2cc(F)ccc2c1Cl 22289741 RAFSPDJOXBPERM-UHFFFAOYSA-N 337.807 4.724 0 40 EJAB Cc1sc(NC(=O)CCc2cccs2)nc1-c1ccc(F)cc1 23130240 HVZOTLXVKSDAKE-UHFFFAOYSA-N 346.452 4.890 0 40 EJAB C[C@H](OC(=O)/C=C/c1cnc2ccccc2n1)c1ccccc1Cl 23871445 HZWQZOWGPFCEEM-NHAQELONSA-N 338.794 4.601 0 40 EJAB CC(C)CNC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CC2 29565984 CQICFOIDUKOXHM-QINSGFPZSA-N 346.430 4.700 0 40 EJAB CCCCCn1c([C@H](C)NC(=O)c2ccccc2)nc2ccccc21 38139205 VULKUEZRVYZHMP-INIZCTEOSA-N 335.451 4.718 0 40 EJAB O=C(Nc1cccc(Cl)c1Cl)N1CCC[C@H](C(F)(F)F)C1 40097560 HEVCLSUROIJJRA-QMMMGPOBSA-N 341.160 4.800 0 40 EJAB c1ccc(CN(Cc2ccc(-n3cccn3)cc2)Cc2ccco2)cc1 48354231 HXXMPZGICOTALG-UHFFFAOYSA-N 343.430 4.668 0 40 EJAB COc1ccccc1[C@@H](C)NCc1csc(-c2ccsc2)n1 58004628 HGHQCXZBPMOLDB-GFCCVEGCSA-N 330.478 4.731 0 40 EJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1cc(C)ccc1C 59351533 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344.455 4.556 0 40 EJAB CCOc1ccc(Cl)cc1/C=C1/SC(=O)N([C@@H](C)CC)C1=O 409097126 LMIMNZOACZOIPZ-RSYJBZMQSA-N 339.844 4.574 0 40 EJAB CCOc1ccc(-c2nc(O)c3c4c(sc3n2)C[C@H](C)CC4)cc1 1505840480 RYUNTATWLUFING-LLVKDONJSA-N 340.448 4.587 0 40 EJAB Cc1sc2ncnc(Nc3ccc(Br)cc3)c2c1C 41243 MPJGSGLZGFOCGV-UHFFFAOYSA-N 334.242 4.814 0 40 EJAB Cc1cc(Cl)ccc1NC(=S)NCCc1c[nH]c2ccccc12 84666 NCOQXRXMRLIQEY-UHFFFAOYSA-N 343.883 4.659 0 40 EJAB O=C(Cc1csc(-c2ccccc2)n1)N[C@@H]1CCCc2ccccc21 2655840 SPBQIWSVBPAIMU-LJQANCHMSA-N 348.471 4.546 0 40 EJAB O=C(Nc1nc2c(s1)CCc1ccccc1-2)c1ccc(Cl)cc1 3447614 DKHPHIHRGWYARY-UHFFFAOYSA-N 340.835 4.814 0 40 EJAB C(=C/c1nc2ccccc2n1CCOc1ccccc1)\c1ccco1 5235191 HSAVDZUEIRLBPO-OUKQBFOZSA-N 330.387 4.879 0 40 EJAB CCn1cc(NC(=O)NCCc2c[nH]c3ccccc23)c2ccccc21 5266077 INWASGKZTWMZFW-UHFFFAOYSA-N 346.434 4.507 0 40 EJAB Cc1ccc(OCC(=O)N2CCCc3ccccc32)c(C(C)(C)C)c1 5542082 UADYTRHUISTCNM-UHFFFAOYSA-N 337.463 4.651 0 40 EJAB COc1ccc2c(CC(=O)Nc3cccc4ccccc34)coc2c1 5560356 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4.911 0 40 EJAB CC[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(F)cc2)N3)C1 4545463 HBDHUZYIASECNZ-QFYYESIMSA-N 330.428 4.831 0 40 EJAB S=c1oc(-c2ccccc2)nn1CN1CCC[C@H]1c1cccs1 7143393 KQJUQPXPORJHCR-AWEZNQCLSA-N 343.477 4.729 0 40 EJAB Cc1cc(Cl)ccc1NC(=O)c1cc(F)ccc1Br 8007870 BUYCUCHEKBKGKO-UHFFFAOYSA-N 342.595 4.802 0 40 EJAB CCOc1c(Cl)cc(CNCc2ccccc2Cl)cc1OC 8253396 DTLCAECNUFNLOR-UHFFFAOYSA-N 340.250 4.691 0 40 EJAB Cc1noc(C(C)C)c1C(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 11075190 SLFADGXORHPGOL-UHFFFAOYSA-N 349.434 4.517 0 40 EJAB Cc1c(Cl)ccc2sc(N3CCN(c4ccccc4)CC3)nc12 12230077 RKALSDRNYMOCDF-UHFFFAOYSA-N 343.883 4.585 0 40 EJAB Cc1nc(SCc2cccc(Cl)c2)n(C[C@H]2CCCO2)c1C 12544694 SLRJMYIWRTZNGL-MRXNPFEDSA-N 336.888 4.625 0 40 EJAB C[C@H]1CCCN(C(=O)c2ccc(CSc3ccccc3)cc2)C1 13632343 FVWLHRSRPRPYSX-INIZCTEOSA-N 325.477 4.851 0 40 EJAB Cc1cc(F)ccc1NC(=S)Nc1ccccc1C(F)(F)F 13937321 KMVMUXWYHHEHFT-UHFFFAOYSA-N 328.334 4.962 0 40 EJAB O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(Cl)cc1F 15425043 PZDIKDQJFRSPGY-UHFFFAOYSA-N 332.806 4.722 0 40 EJAB Cc1cccc(NC(=O)Cc2csc(Nc3ccccc3)n2)c1C 16850090 LJEIVRBLFMYZNM-UHFFFAOYSA-N 337.448 4.685 0 40 EJAB COc1ccc2cc(CN[C@@H](C)c3ccc(F)c(F)c3)ccc2c1 25361183 IYYNWCXOEYOZEV-ZDUSSCGKSA-N 327.374 4.977 0 40 EJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)OCO2 30756913 BTWHVDOHBOHDKM-MRXNPFEDSA-N 349.839 4.578 0 40 EJAB Cc1cccc(NC(=O)[C@@H](c2ccc(Cl)cc2)N2CCCCC2)c1 57317476 XMAAGVPVJXZCQN-LJQANCHMSA-N 342.870 4.814 0 40 EJAB CC(C)c1nc2cc(NC(=O)c3cccc4ncccc34)ccc2o1 78481271 ITJWFJOSXHWOGE-UHFFFAOYSA-N 331.375 4.752 0 40 EJAB Cc1cc2nc(N[C@H]3CCC[C@H](C(F)(F)F)C3)c3ccccc3n2n1 89610780 XUQDFFJVAWXULZ-STQMWFEESA-N 348.372 4.724 0 40 EJAB C[C@H](NC(=O)c1ccccc1SCc1cccs1)C1CCC1 89894236 BTSPELLYRIQWOS-ZDUSSCGKSA-N 331.506 4.959 0 40 EJAB CC(=O)[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@]2(C)O)C1 118934786 XWDRJXANNWFPCX-WQPKYIKBSA-N 332.528 4.985 0 40 EJAB Cc1cc2nc(-c3ccc(N(C)C)c(Br)c3)oc2cc1C 216879626 VZZBZVKGDUGNEJ-UHFFFAOYSA-N 345.240 4.940 0 40 EJAB C[C@H](Oc1cccc2ccccc12)C(=O)NC(C)(C)CC(C)(C)C 224286948 NBKXIILYRKRPHN-HNNXBMFYSA-N 327.468 4.938 0 40 EJAB CCc1ccc(CC)c(CNC(=O)CCSc2ccc(C)cc2)c1 224491608 VMAPCZNDVVQCLC-UHFFFAOYSA-N 341.520 4.918 0 40 EJAB Cc1ccc(CSCCNC(=S)Nc2ccc(C)c(C)c2)cc1 225292124 RHSHWSMGDZTGBX-UHFFFAOYSA-N 344.549 4.832 0 40 EJAB Cc1c(Cl)cccc1NC(=O)c1ccc2c(c1)OCC(C)(C)CO2 225359788 MUORYLBQAJPGBZ-UHFFFAOYSA-N 345.826 4.698 0 40 EJAB COc1ccc(NC(=S)N[C@@H](c2ccc(C)cc2C)C(C)C)cc1 225763648 GHPFLCWWBRBTEN-LJQANCHMSA-N 342.508 4.996 0 40 EJAB CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCC(C)C)cc2)C1=O 409018043 XENRCAYGEDFLJQ-BVTUPMQUSA-N 333.453 4.556 0 40 EJAB Cc1cccc(Cl)c1NC(=O)COc1ccc2ccccc2c1 364150 XKUXHHHTNILCNG-UHFFFAOYSA-N 325.795 4.819 0 40 EJAB C[C@@H](NC(=O)c1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1 385365 JVUILRWXJNGFAW-SNVBAGLBSA-N 327.733 4.850 0 40 EJAB C[C@H]1CCc2sc3nc(SCc4ccccc4)nc(N)c3c2C1 495787 JRSXKWSZOXSHJI-NSHDSACASA-N 341.505 4.691 0 40 EJAB COc1ccc([C@H]2Nc3ccccc3-c3nc4ccccc4n32)cc1 521207 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SMDYOSPDRYRDLX-UHFFFAOYSA-N 328.462 4.847 0 40 EJAB Cc1cc(C)n(-c2nc3c(Cl)ccc(C(F)(F)F)c3s2)n1 57327643 LAVIVJKWADOKIV-UHFFFAOYSA-N 331.750 4.771 0 40 EJAB CC[C@H](NCc1ccc(NC(=O)NC(C)C)cc1)c1cccs1 95420643 BJRKZYCNUHYXPC-INIZCTEOSA-N 331.485 4.519 0 40 EJAB O=[S@](CCc1ccccc1)Cc1ccccc1Oc1ccccc1 220130353 MHZSCYJFQNNHSR-XMMPIXPASA-N 336.456 4.970 0 40 EJAB Cc1ccc(C)c(OCC(=O)Nc2ccc3c4c(cccc24)CC3)c1 224264143 SXEIVEIIJJAJKR-UHFFFAOYSA-N 331.415 4.573 0 40 EJAB Cc1ccnc(NC(=S)N[C@H](c2ccccc2)c2ccccc2C)c1 225507750 PIQPIJBMDZCQHK-HXUWFJFHSA-N 347.487 4.774 0 40 EJAB CCO[C@]1(C(=O)Nc2ccc(OCC(C)C)c(C)c2)CCC[C@H](C)C1 225717595 IVYSWUXVEJZVJC-HRAATJIYSA-N 347.499 4.954 0 40 EJAB Cc1ccc([C@@H]2Nc3c(C(=O)O)cccc3[C@@H]3[C@H]4CC[C@@H](C4)[C@H]23)cc1 299879274 KLQWPEILMZRYCO-ZESOOZHZSA-N 333.431 4.990 0 40 EJAB Clc1cccc(C[C@@H]2NCCC[C@@H]2Nc2cccc(Cl)c2)c1 585262272 OZVNECHGDTYBHM-ROUUACIJSA-N 335.278 4.769 0 40 EJAB O=C(NC[C@@H](c1ccsc1)c1ccco1)c1ccccc1Cl 618257078 QKDJTPVKDQPQFR-AWEZNQCLSA-N 331.824 4.556 0 40 EJAB O=C(CCSc1ccccc1)NCc1cc(-c2ccoc2)cs1 1889139456 XZDVZSAJIILCFU-UHFFFAOYSA-N 343.473 4.807 0 40 EJAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1cccc(Cl)c1 43017 ZFOFLOAEWREDNC-UHFFFAOYSA-N 346.217 4.740 0 40 EJAB CSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCCC3 294945 OATKCCCIPWSFTJ-UHFFFAOYSA-N 334.510 4.564 0 40 EJAB CC(C)(C)C(=O)COC(=O)c1ccccc1SCc1ccccc1 482492 OUJRXOQFHGTYGN-UHFFFAOYSA-N 342.460 4.751 0 40 EJAB O=C(Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1)c1ccco1 554456 UQPZKTAMJHILBR-UHFFFAOYSA-N 338.750 4.994 0 40 EJAB CCN(CC)C[C@@H](O)c1ccc(/C=C/c2ccc(Cl)cc2)cc1 1628147 COKMQJYIYARAML-RRFGBZISSA-N 329.871 4.886 0 40 EJAB CCc1cccc(C)c1NC(=O)CCCOc1ccc(C)cc1C 1913894 OYXDJVMKOXAOLF-UHFFFAOYSA-N 325.452 4.972 0 40 EJAB CCC(CC)C(=O)Nc1c2c(nn1-c1cccc(Cl)c1)CSC2 3912441 JUSWUALEAPURAL-UHFFFAOYSA-N 349.887 4.647 0 40 EJAB C[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc4ccccc4c2)N3)C1 4543394 QDOQLAGESWEVFL-HXPMCKFVSA-N 348.471 4.880 0 40 EJAB O=C(Cn1c(-c2ccccc2)cc2ccccc21)NC1CCCCC1 4711964 ZPDBOMCUQYYBBJ-UHFFFAOYSA-N 332.447 4.757 0 40 EJAB CC(=O)Nc1ccccc1NC(=O)c1ccc(-c2ccccc2)cc1 4740412 NKPVYTMDUPQQEQ-UHFFFAOYSA-N 330.387 4.564 0 40 EJAB C[C@H](Oc1cccc2ccccc12)C(=O)N[C@H]1CCCc2ccccc21 5111782 HVYHOBMWIAQZCU-KKSFZXQISA-N 345.442 4.801 0 40 EJAB CCN(C(=O)[C@H](C)Sc1ccc2ccccc2n1)c1ccccc1 5627220 IIPBYDNKNMXFOJ-HNNXBMFYSA-N 336.460 4.769 0 40 EJAB COc1ccc(Cl)cc1NC(=O)c1nc(-c2ccccc2)oc1C 5937898 ZISKFHMHPHANAX-UHFFFAOYSA-N 342.782 4.564 0 40 EJAB CCn1c(SC/C=C\c2ccccc2)nnc1-c1cccs1 6007272 IZQCUSZHWGJNOQ-POHAHGRESA-N 327.478 4.832 0 40 EJAB Cc1ccc(C2=Nn3c(nnc3C3CCCCC3)S[C@@H]2C)cc1C 6087146 JNPMTINLOSIPQX-CQSZACIVSA-N 340.496 4.689 0 40 EJAB O=C(Nc1cccnc1Cl)c1cccc(OCc2ccccc2)c1 7668570 KYHHTUYROSDWEJ-UHFFFAOYSA-N 338.794 4.566 0 40 EJAB C[C@@H](NC(=O)c1cc2c(s1)CCC2)c1cccc(C(F)(F)F)c1 7986914 IQQWTIFLZGTJPP-SNVBAGLBSA-N 339.382 4.747 0 40 EJAB CCOc1cccc(C(=O)Nc2ccc(N3CCCC[C@@H]3C)cc2)c1 9064467 YMBNBHQUQFTPKB-INIZCTEOSA-N 338.451 4.716 0 40 EJAB O=C(Nc1ccc(F)cc1F)N[C@@H](c1ccccc1)c1cccs1 12767924 GABAPMQETJBDGD-KRWDZBQOSA-N 344.386 4.937 0 40 EJAB C[C@H](NC(=O)Cc1ccc2ccccc2c1)c1ccc(F)c(F)c1 12923963 NYIUJHBMYLRYNF-ZDUSSCGKSA-N 325.358 4.538 0 40 EJAB O=C(Nc1ccccc1OCC(F)(F)F)c1cc2ccccc2o1 14127616 CFWIOCAOXXOSIH-UHFFFAOYSA-N 335.281 4.626 0 40 EJAB O=C(/C=C/c1cccc2cccnc12)OCc1ccc(F)cc1Cl 14811788 CQBLPDZRRWDISF-VQHVLOKHSA-N 341.769 4.784 0 40 EJAB COc1ccccc1CN1CCC[C@@H](c2cc3ccccc3cn2)C1 19570323 LZNTVDJUUFYRPZ-LJQANCHMSA-N 332.447 4.623 0 40 EJAB Cc1ccc([C@H]2SCC(=O)N2c2ccc(F)c(Cl)c2)cc1C 19926860 BYMQNELFUZQGRF-QGZVFWFLSA-N 335.831 4.875 0 40 EJAB O=C(c1ccc(Cl)cc1)N1CCCC[C@H]1CCN1CCCCCC1 21170763 AFAOPCUFJGIYBO-IBGZPJMESA-N 348.918 4.601 0 40 EJAB CC(C)c1ccc(CN(C(=O)c2cnc3ccccc3n2)C2CC2)cc1 24135469 IKXXRLRBEQNTSU-UHFFFAOYSA-N 345.446 4.558 0 40 EJAB Cc1nc(-c2cccnc2)sc1C(=O)Nc1ccc(C(C)C)cc1 28210362 OFULOEBQWWZZFS-UHFFFAOYSA-N 337.448 4.889 0 40 EJAB COc1ccc(N(Cc2cccc(Cl)c2)c2snnc2C)cc1 32611848 YESVLMYNYDDGHX-UHFFFAOYSA-N 345.855 4.847 0 40 EJAB CN(Cc1ccccc1NC(=O)c1ccccc1F)C1CCCCC1 39969206 GUQCGELWBSLNKF-UHFFFAOYSA-N 340.442 4.843 0 40 EJAB Cc1ccc(Sc2oc(-c3ccccc3)nc2C(=O)N(C)C)cc1 41154810 UNICXPLINPAURA-UHFFFAOYSA-N 338.432 4.503 0 40 EJAB CCO[C@H](C)c1nc(CN[C@H](c2ccc(F)cc2)C(C)C)cs1 76717151 KSNFAIRXIJOLSV-DYVFJYSZSA-N 336.476 4.867 0 40 EJAB C[C@H]1CC[C@@](C)(COC(=O)[C@H]2C(=O)[C@]3(C)CC[C@@H]2C3(C)C)C1(C)C 100364100 HCERMHIQIKFMFV-UBTJXIBCSA-N 334.500 4.633 0 40 EJAB CCOc1cccc(NC(=O)[C@@H](CC)Oc2ccc(Cl)c(C)c2)c1 113970270 BLHNGBVTCXHQBN-GOSISDBHSA-N 347.842 4.843 0 40 EJAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](SC(=N)N)CC[C@@]43C)[C@@H]1CCC2=O 118931213 CHRVZSYISQNFKQ-IGVQRDAMSA-N 346.540 4.514 0 40 EJAB Cc1ccc(CNC(=O)CCCSc2ccc(Cl)cc2)cc1 222683844 ZKAIZRBSKZUJFU-UHFFFAOYSA-N 333.884 4.837 0 40 EJAB Cc1ccccc1CSCC(=O)NCc1ccc2ccccc2c1 222748412 VYTODBCIEJTCLC-UHFFFAOYSA-N 335.472 4.698 0 40 EJAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCc2ccccc2Cl)c1 223474631 TXUYODYIYGDRJQ-HNNXBMFYSA-N 345.870 4.856 0 40 EJAB Cc1ccc(CCC(=O)NCCOc2ccccc2C(C)C)cc1C 223831848 FUSXQCRXQUHSPX-UHFFFAOYSA-N 339.479 4.555 0 40 EJAB CCOc1ccc(C(=O)NC(C)(C)C)cc1COc1cccc(C)c1 224380888 WMDQZPOORXWRIG-UHFFFAOYSA-N 341.451 4.501 0 40 EJAB CC(C)(C)SCCNC(=O)Cc1ccc(-c2ccccc2)cc1 224971482 PBZSNHGHFBKQRT-UHFFFAOYSA-N 327.493 4.544 0 40 EJAB CCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1C 225521101 AGNJTQBQDRXIMJ-UHFFFAOYSA-N 341.426 4.983 0 40 EJAB CC[C@@H](NC(=O)c1ccc2c(c1)CCCC2)c1ccc(OC)c(C)c1 225636298 RNXUIZCEUSRDFB-HXUWFJFHSA-N 337.463 4.764 0 40 EJAB Cc1ccc(C)c(-c2ccc(OC(=O)c3ccccc3Cl)nn2)c1 408527808 IDUGWLZFXJVXHK-UHFFFAOYSA-N 338.794 4.633 0 40 EJAB COc1ccc(-c2nc(O)c3c4c(sc3n2)CCCCCC4)cc1 408990627 OGLRTDWRLKEDAG-UHFFFAOYSA-N 340.448 4.732 0 40 EJAB Cc1cc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)c(C)n1C 409143456 NHTAMMUZJKYSPH-DHDCSXOGSA-N 346.839 4.536 0 40 EJAB C[C@H]1CCCCN1C(=O)c1ccc(NCc2cc(F)cc(F)c2)cc1 512643899 HTXAGWVCVDAMCJ-AWEZNQCLSA-N 344.405 4.592 0 40 EJAB Cc1ccc(Oc2ccc(F)cc2OCC[C@H]2CCCN2C)cc1 585266163 BSDPBUMLOKKVSS-QGZVFWFLSA-N 329.415 4.790 0 40 EJAB CCCCO[C@@H](C)OCCCC(F)(F)C(F)(F)Br 1083808000 RBUAIMLTHWOBRY-SECBINFHSA-N 339.167 4.569 0 40 EJAB O=C(CSCc1ccccc1)NCc1cc(-c2ccco2)cs1 1775968370 DINFRAYEEBEINB-UHFFFAOYSA-N 343.473 4.558 0 40 EJAB Fc1ccccc1Cn1c(-c2cccnc2Cl)nc2ccccc21 1386009 DOUXLIDMBKYMCM-UHFFFAOYSA-N 337.785 4.939 0 40 EJAB COc1ccc2c(c1)C=C[C@@]1(O2)N(C)c2ccc(Cl)cc2C1(C)C 1402323 NDJGQCKPEFCWIA-FQEVSTJZSA-N 341.838 4.878 0 40 EJAB CCCC[C@@H](CC)COC(=O)c1ccccc1C(=O)OCC(C)C 2042150 GEWZPNMYMLQKGF-MRXNPFEDSA-N 334.456 4.873 0 40 EJAB Cc1cc(NC(=O)c2ccc3ncsc3c2)ccc1Br 2630690 KMJGCCGLMSBARS-UHFFFAOYSA-N 347.237 4.620 0 40 EJAB C[C@H](NC(=O)COc1ccc2oc3ccccc3c2c1)c1ccccc1 2647909 ONKPHUDIAMXQJQ-HNNXBMFYSA-N 345.398 4.842 0 40 EJAB O=C(Cc1c(Cl)cccc1Cl)N[C@H]1CCCc2ccccc21 3360845 QYHGGSJKFNEWLV-KRWDZBQOSA-N 334.246 4.730 0 40 EJAB CCSc1ccccc1C(=O)Nc1ccc2nc(C)sc2c1 4585693 GTPANKXMNONZHQ-UHFFFAOYSA-N 328.462 4.969 0 40 EJAB COc1ccccc1-c1ccc(Nc2ccc(F)c(Cl)c2)nn1 4968279 ILCXJZFIUZSQBC-UHFFFAOYSA-N 329.762 4.688 0 40 EJAB Fc1ccccc1-c1nnc(SCc2ccccc2)n1C1CC1 5333390 NQCVGZLMIVNMMK-UHFFFAOYSA-N 325.412 4.711 0 40 EJAB O=C(Nc1cccc(-c2nc3ncccc3o2)c1)c1cccc(Cl)c1 5394801 BXDDJJVEOBBBGC-UHFFFAOYSA-N 349.777 4.796 0 40 EJAB CCOc1ccc2c(c1)C(c1ccccc1)=NNC(c1cccs1)=N2 6631040 JBIAGTVNRWMTGT-UHFFFAOYSA-N 347.443 4.581 0 40 EJAB Cc1sc(NC2CC2)nc1-c1ccc(NC(=O)C(C)(C)C)cc1 7274756 IQJGNDZHGNHLJG-UHFFFAOYSA-N 329.469 4.677 0 40 EJAB CCc1ccc2c(CC(=O)Nc3cc(Cl)ccc3F)coc2c1 7650980 IMMVIDITNJVTHV-UHFFFAOYSA-N 331.774 4.969 0 40 EJAB CCOc1c(Cl)cc(Cl)cc1CNCc1ccc(F)cc1 8253434 MFNFYFXHHFJJBT-UHFFFAOYSA-N 328.214 4.821 0 40 EJAB Fc1ccc(-c2nc(-c3ccc4c(c3)OCCCO4)cs2)cc1 8296966 YMCYLURRBGVKDD-UHFFFAOYSA-N 327.380 4.778 0 40 EJAB Fc1ccccc1OCc1nc2ccccc2n1CCc1ccccc1 8642866 ZDKSMAKBBXGWSB-UHFFFAOYSA-N 346.405 4.997 0 40 EJAB Cc1oc(-c2ccccc2)nc1COC(=O)c1cc2c(s1)CCC2 12240099 UDZZLQHWMMIDJH-UHFFFAOYSA-N 339.416 4.557 0 40 EJAB O=C(Nc1ccccc1)Nc1cccc(NC(=O)c2ccccc2)c1 12821029 JNPMMVXVDFOMJD-UHFFFAOYSA-N 331.375 4.583 0 40 EJAB CCC(=O)c1cc(Cl)ccc1OCc1nnc(-c2ccccc2)o1 14142317 JWBBYJPQFLQREC-UHFFFAOYSA-N 342.782 4.562 0 40 EJAB CCCOc1ccc(C(=O)N[C@H]2CCSc3ccc(F)cc32)cc1 15199632 MEVYZWATGFOQJR-KRWDZBQOSA-N 345.439 4.581 0 40 EJAB Cc1ccc2cccc(OCc3cc(Cl)c4c(c3)OCO4)c2n1 16340806 YYKRNDPQOXFSJP-UHFFFAOYSA-N 327.767 4.504 0 40 EJAB Cc1ccc(Nc2ncnc3c2cnn3-c2ccc(C)c(C)c2)cc1C 17053000 MQMIMMDYIKIZJA-UHFFFAOYSA-N 343.434 4.793 0 40 EJAB Clc1ccccc1CN1CCC[C@@H]1c1nnc(-c2cccs2)o1 19349053 PJBXUIYXWOWBSN-CQSZACIVSA-N 345.855 4.789 0 40 EJAB C[C@@H](CN[C@@H](Cc1ccsc1)c1nccs1)c1ccccc1 19456518 NNNZEKCJZYVZOT-YOEHRIQHSA-N 328.506 4.882 0 40 EJAB Cc1cccc(OCc2nnc(SCc3ccccc3C)o2)c1 20760040 STZVFIUADSNGCQ-UHFFFAOYSA-N 326.421 4.558 0 40 EJAB Cc1ccc(C)c(CC(=O)NCCSCc2ccccc2Cl)c1 22529987 VNXARXYMANOXKI-UHFFFAOYSA-N 347.911 4.549 0 40 EJAB COc1ccc(-c2nc(COc3ccc(F)c(Cl)c3)co2)cc1 22841337 XXLKPGFQYUOEPA-UHFFFAOYSA-N 333.746 4.722 0 40 EJAB O=C(/C=C/c1ccco1)N(Cc1cccs1)Cc1cccs1 24463537 SSLXVJGTWVNEGG-BQYQJAHWSA-N 329.446 4.645 0 40 EJAB C[C@H](NC(=O)c1ccc(C(=O)c2ccccc2)cc1)c1cccc(F)c1 25063259 CICXCJIGXUDLBG-HNNXBMFYSA-N 347.389 4.548 0 40 EJAB Cc1ccc([C@@H](NC(=O)Cc2cccs2)c2ccccc2)cc1C 25281644 OACZZVXSGZBPAY-NRFANRHFSA-N 335.472 4.813 0 40 EJAB COc1ccccc1Oc1c(Cl)nc(-c2ccncc2)nc1Cl 38330447 SDFQMDWIFGNAGM-UHFFFAOYSA-N 348.189 4.646 0 40 EJAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)N[C@@H](C)c2cc(C)ccc2C)c1 44900067 GKPGGMBXKNINMO-RBUKOAKNSA-N 339.479 4.873 0 40 EJAB CCCCc1ccc(CC(=O)Nc2cc(-c3nnco3)ccc2C)cc1 47320496 PKLVICAKOOLYBD-UHFFFAOYSA-N 349.434 4.569 0 40 EJAB CC(=O)Nc1cccc(NC(=O)N(C)[C@H](C)c2ccccc2Cl)c1 47388939 MEOUSRVENIOOEA-GFCCVEGCSA-N 345.830 4.523 0 40 EJAB Cc1cccc2sc(NC(=O)c3ccc(-c4cnco4)cc3)nc12 47411508 GMFXUDWAZCFSFA-UHFFFAOYSA-N 335.388 4.512 0 40 EJAB CCc1ccc2nc(-c3ccc(-c4ccc(O)cc4)cc3)[nH]c(=O)c2c1 60797569 ZXCNFRFLUDXCRV-UHFFFAOYSA-N 342.398 4.525 0 40 EJAB CCN(C(=O)Nn1cnc2ccccc21)[C@H](C)c1cc2ccccc2o1 84760684 YMAGQVUYTKNZIL-CQSZACIVSA-N 348.406 4.529 0 40 EJAB Nc1c(-c2ccccc2)c(C(F)(F)F)nn1-c1ccc(Cl)cc1 205857291 WLCANRNLKBQIFB-UHFFFAOYSA-N 337.732 4.794 0 40 EJAB Cc1ccc2c(c1)[C@H](NC(=O)Cc1ccc(C)c(C)c1)CC(C)(C)O2 218809128 PTQSRRPIXVPDPL-LJQANCHMSA-N 337.463 4.573 0 40 EJAB COc1ccccc1NC(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 225767341 ZSWCTNMJIBVKCR-AWEZNQCLSA-N 326.440 4.875 0 40 EJAB Cc1ccc([C@@H]2Nc3c(C(=O)O)cccc3[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)cc1 299879273 KLQWPEILMZRYCO-OFDAHSHWSA-N 333.431 4.990 0 40 EJAB Cc1cccc(N[C@H](c2ccncc2)c2c(C)[nH]c3ccccc23)n1 506045 JYQCTUFIGLSXKN-OAQYLSRUSA-N 328.419 4.776 0 40 EJAB Clc1ccc(-c2nnc3n2N[C@@H](c2ccccc2)S3)c(Cl)c1 1627724 AQNYHCYKFKRVDB-CQSZACIVSA-N 349.246 4.600 0 40 EJAB COc1ccc(Cl)cc1NC(=O)Cc1coc2cc(C)ccc12 3549878 BOJRHFMFNOZSLF-UHFFFAOYSA-N 329.783 4.584 0 40 EJAB CC[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2cccc(OC)c2)N3)C1 4545507 GWIOFSINHGOLCE-GTNSWQLSSA-N 342.464 4.701 0 40 EJAB O=C(COc1ccccc1F)Nc1c(Cl)cccc1C(F)(F)F 6123749 KIRYXHRNCRXDIX-UHFFFAOYSA-N 347.695 4.515 0 40 EJAB O=c1cc(CNc2ccc(Cl)cc2F)c2cc3c(cc2o1)CCC3 6224527 YZTPVIJRUJTSRE-UHFFFAOYSA-N 343.785 4.686 0 40 EJAB C[C@@H](Nc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1Cl 7382640 VKLISGCIRZOVJM-SECBINFHSA-N 327.186 4.572 0 40 EJAB CC[C@H](C)[C@H](N)c1nnc(SCc2ccc(Cl)c(Cl)c2)o1 7951981 JIADJVQUGRKWHR-UFBFGSQYSA-N 346.283 4.715 0 40 EJAB CCOc1ccc2[nH]c(=O)c(CNc3cc(Cl)ccc3C)cc2c1 12493193 ZLTNFXGHRZFRJH-UHFFFAOYSA-N 342.826 4.501 0 40 EJAB COc1cccc(N2C(=O)c3ccccc3N[C@@H]2c2cccs2)c1 12532917 PTRSHSITBFEHIJ-SFHVURJKSA-N 336.416 4.528 0 40 EJAB C/C=C/[C@@H]1OC[C@@]2(COC(=O)NCCCCC)[C@@H](C)C=C(C)[C@@H]1[C@H]2C 12655376 CSSJDGXKUUQMTC-RLDLHRPXSA-N 349.515 4.712 0 40 EJAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(C(F)(F)F)cc1 14400768 MHKQIZUNYAZXAF-SNVBAGLBSA-N 343.732 4.765 0 40 EJAB Cc1cc(C(=O)N2CCC[C@H]2c2ccccc2)c(C)n1Cc1ccco1 22766295 OKAIASBCDISWCZ-NRFANRHFSA-N 348.446 4.724 0 40 EJAB COc1cc(CN[C@H]2CCCc3ccccc32)cc(Cl)c1OC 25259761 UISAOLGCWGGSGX-KRWDZBQOSA-N 331.843 4.524 0 40 EJAB COc1ccccc1-c1nc(-c2[nH]c(C)c(C(C)=O)c2C)cs1 41863547 WGZLVQXFIOAESO-UHFFFAOYSA-N 326.421 4.633 0 40 EJAB CC(=O)O[C@H]1CC[C@@H]2[C@H]3CCC4=C/C(=N/O)CC[C@]4(C)[C@@H]3CC[C@]12C 44356439 HMPWCNANWMGWIQ-LAYNSHRISA-N 345.483 4.711 0 40 EJAB Fc1ccc(-c2nc(CN3CCC[C@@H]3c3cccc(F)c3)co2)cc1 48261338 HRKLLYNARTXRAF-LJQANCHMSA-N 340.373 4.957 0 40 EJAB CC(C)(C)CC(C)(C)NC(=O)COc1ccc(Cl)cc1Cl 59240866 FVDCPVWYPDZPMN-UHFFFAOYSA-N 332.271 4.703 0 40 EJAB Cc1ccc([C@H](C)NC(=O)COc2ccc(C(C)(C)C)cc2)cc1C 59351185 OIILACQIIYHHMO-KRWDZBQOSA-N 339.479 4.857 0 40 EJAB CC(C)c1oc([C@@H]2CCCN2C(=O)C2CCC2)nc1-c1ccccc1 71916611 FBRRCZOEQFTSSN-KRWDZBQOSA-N 338.451 4.929 0 40 EJAB C[C@H](c1ccccc1F)[S@](=O)Cc1csc(C2CCCC2)n1 84660695 WYDJNWIHZFAWMA-IPQOISQHSA-N 337.485 4.950 0 40 EJAB CC(=O)N1N=C(c2cccc(Cl)c2)C[C@H]1c1ccc2ncccc2c1 95116801 KDDLDKRDPPJVTQ-FQEVSTJZSA-N 349.821 4.586 0 40 EJAB C[C@@H](N[C@@H]1CCCc2ccccc21)c1ccc(C(F)(F)F)nc1O 95427037 HZOYGJNXOKTADW-IAQYHMDHSA-N 336.357 4.534 0 40 EJAB Cc1ccsc1/C=C(/SCC(=O)O)c1nc2ccccc2s1 96891473 AOPQATBMXHPJQG-RIYZIHGNSA-N 347.486 4.982 0 40 EJAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)Nc1ccc(OC(F)F)c(Cl)c1 102319187 JLEFDKKGVLRILY-GARJFASQSA-N 329.774 4.706 0 40 EJAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCc1cccc2ccccc12 222892607 ZYULLFVLPVEPRA-JOCHJYFZSA-N 347.458 4.930 0 40 EJAB COc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1COC(C)C 224424965 CSZJGFKHVCJGRK-UHFFFAOYSA-N 347.842 4.834 0 40 EJAB Nc1ccc(-c2noc(-c3ccc(Cl)cc3Cl)n2)c(Cl)c1 225175691 QICDOMUTGISNIC-UHFFFAOYSA-N 340.597 4.946 0 40 EJAB COc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1C 225521049 CHPWSBKRJVNZBI-UHFFFAOYSA-N 327.399 4.593 0 40 EJAB CC[C@H](C)Oc1c(C)cc(NC(=O)[C@@](C)(CC(C)C)OC)cc1C 225608923 ALQGCGZWIYMIGH-OXJNMPFZSA-N 335.488 4.870 0 40 EJAB Cc1cc(C)c(C(=O)NCCSCc2ccc(Cl)cc2)cc1C 225640156 WVCUMZGGBHJICN-UHFFFAOYSA-N 347.911 4.928 0 40 EJAB CCCO[C@@](C)(CC(C)C)C(=O)Nc1cc(C)c(OCC)c(C)c1 225736311 VFXSNZQPNUBOKJ-FQEVSTJZSA-N 335.488 4.872 0 40 EJAB Fc1ccc(NC(=S)NCC2(c3ccc(F)cc3)CCCC2)cc1 225810159 WJVZRDLQHDCYAN-UHFFFAOYSA-N 346.446 4.763 0 40 EJAB CCOC(C)(C)C(=O)Nc1ccc(O[C@@H](C)CC)c2ccccc12 225815999 HEBJSWBYRIRAMS-AWEZNQCLSA-N 329.440 4.771 0 40 EJAB COc1ccc(NC(=O)CN(C2CCCCC2)C2CCCCC2)cc1 408583103 RPLPCXZXGCKELI-UHFFFAOYSA-N 344.499 4.601 0 40 EJAB O=C(NCc1ccccc1)c1ccc(-c2ccc(F)c(Cl)c2)o1 408624325 VOAOOMRQFSFNNI-UHFFFAOYSA-N 329.758 4.669 0 40 EJAB O=C(NCCc1ccc(-c2ccsc2)s1)NCc1cccs1 575414098 ULSMUBBVTWWKJX-UHFFFAOYSA-N 348.518 4.580 0 40 EJAB CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(C)cc2)c1 342215 ZKGFGVPAMQBKTN-UHFFFAOYSA-N 330.815 4.639 0 40 EJAB Cc1cc(NC(=O)c2ccc(OC(C)C)cc2)ccc1Br 514189 INQGCERWAGPWHS-UHFFFAOYSA-N 348.240 4.797 0 40 EJAB O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1ccccc1F 567855 ZGAJKNQGYTVJSE-UHFFFAOYSA-N 338.816 4.916 0 40 EJAB Cc1ccc(C(=O)C[C@H](SCC(=O)O)c2ccc(Cl)cc2)cc1 1896374 UTRLTXVZWADCSN-KRWDZBQOSA-N 348.851 4.780 0 40 EJAB O=c1oc(Nc2ccc(Cl)cc2Cl)nc2ccc(Cl)cc12 4059917 ATRBKHQPSDTSCZ-UHFFFAOYSA-N 341.581 4.892 0 40 EJAB O=C(CSc1ccc(F)cc1)Nc1ccc2c3c(cccc13)CC2 4496766 SQWONJKTDURERZ-UHFFFAOYSA-N 337.419 4.808 0 40 EJAB NC/C(=C\c1ccccc1Cl)c1nc(-c2ccccc2)cs1 4577676 WUXMMZFQXLVUMH-XNTDXEJSSA-N 326.852 4.963 0 40 EJAB CCC(=O)Nc1cc(C)c(O)c(-c2nc3cc(Cl)ccc3o2)c1 4988457 UTZNIVIONDQLOE-UHFFFAOYSA-N 330.771 4.511 0 40 EJAB CC(=O)O[C@@H]1CCC2=C(C[C@@H](F)C[C@@H]3[C@@H]2CC[C@@]2(C)C(=O)CC[C@H]32)C1 5976331 IGRWPBROGNPQRG-GKYHAWLYSA-N 348.458 4.542 0 40 EJAB COc1ccc(CNC(=O)Nc2ccc(Cl)cc2)c(C(C)(C)C)c1 6262663 ISADWOLPAMYFFX-UHFFFAOYSA-N 346.858 4.968 0 40 EJAB CCCCNCc1ccc(OCc2ccc(Cl)cc2)c(OC)c1 7261675 YZASACWDKVPGEX-UHFFFAOYSA-N 333.859 4.817 0 40 EJAB C[C@@H](C(=O)c1c[nH]c2ccccc12)N(Cc1ccc(F)cc1)C1CC1 7789337 ZRRICFKWJMVWTR-AWEZNQCLSA-N 336.410 4.543 0 40 EJAB CCC1=Nc2ccccc2N=C(NC(=O)C2CC2)[C@@H]1c1ccccc1 9183886 YXSYGAJQAYAFLT-LJQANCHMSA-N 331.419 4.523 0 40 EJAB O=C(Nc1ccc2oc(-c3ccccc3)cc(=O)c2c1)c1ccccc1 9659961 TZFYYVWATSKKBW-UHFFFAOYSA-N 341.366 4.712 0 40 EJAB biogenic CC[C@@H](C)c1ccc(N[C@H](C(=O)NC2CC2)c2ccc(F)cc2)cc1 11157464 HDHOEALXDLFSSP-VLIAUNLRSA-N 340.442 4.771 0 40 EJAB O=c1c2cc(Cl)ccc2nc2n1CC/C2=C\c1ccc(Cl)cc1 12792474 LVDGVDWCEOFBMU-FMIVXFBMSA-N 343.213 4.648 0 40 EJAB Oc1cccc2ccc(/C=C/c3cccc(Br)c3)nc12 13135320 PKPRWIPBBDUZPA-VQHVLOKHSA-N 326.193 4.873 0 40 EJAB COc1ccc2oc(C)c(C(=O)Nc3ccc(C)c(Cl)c3)c2c1 15880478 IASVIJZNPONNLV-UHFFFAOYSA-N 329.783 4.964 0 40 EJAB biogenic O=C(Cc1nc2ccccc2s1)Nc1c(Cl)cccc1Cl 17173197 OVVUAMRALDRWBC-UHFFFAOYSA-N 337.231 4.784 0 40 EJAB Cc1nn(C(C)C)c(C)c1CNC1(c2ccccc2F)CCCC1 19577482 SBWXLEYANPVVCX-UHFFFAOYSA-N 329.463 4.779 0 40 EJAB Cc1ccc(S(=O)(=O)Nc2ccccc2-c2cccs2)s1 24838969 BACBMLUYPORQQI-UHFFFAOYSA-N 335.475 4.586 0 40 EJAB O=C(Nc1ccccc1Br)C1(c2ccccc2)CCC1 25318279 FEEIHMVIIGCGTR-UHFFFAOYSA-N 330.225 4.510 0 40 EJAB c1ccc(-c2cnc(CN[C@@H](c3ccccc3)c3ccccn3)o2)cc1 25419633 AMRBVXIVHOPJNP-QFIPXVFZSA-N 341.414 4.616 0 40 EJAB Cc1cc(C)c2c(C)c(C(=O)N3c4ccccc4C[C@@H]3C)sc2n1 30011834 GLEARKLIISJUKI-ZDUSSCGKSA-N 336.460 4.813 0 40 EJAB CC[C@H](Oc1cccc(C)c1)C(=O)N[C@@H](C)c1cc(C)ccc1C 30869920 XKIVLSNXQWPOCO-PXNSSMCTSA-N 325.452 4.647 0 40 EJAB COc1ccc(NC(=S)Nc2cccc(C(F)(F)F)c2)cc1F 67219582 DAUJPOYVKFPUMS-UHFFFAOYSA-N 344.333 4.662 0 40 EJAB Cc1cc([C@@H]2CCCN2Cc2ccccc2)cnc1N1CCCCC1 72219149 MVXADOZFQYOTDC-NRFANRHFSA-N 335.495 4.717 0 40 EJAB CCCC(=O)Nc1cccc(NC(=O)Nc2cccc(C)c2C)c1C 72282537 PFNMYWSFBUWZGC-UHFFFAOYSA-N 339.439 4.994 0 40 EJAB CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc3c(c2)oc2ccccc23)c1C 84007978 IEJNHUCPIIDAAH-UHFFFAOYSA-N 346.386 4.986 0 40 EJAB O=Cc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1 95869927 MUJWYIMVYGQRAQ-UHFFFAOYSA-N 337.382 4.685 0 40 EJAB C[C@H](N[C@@H](C)c1c(F)cccc1F)c1cccc(N2CCCC2)c1 95964882 JCDNLUAWUKKVEU-GJZGRUSLSA-N 330.422 4.977 0 40 EJAB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1ccc(Cl)cc1Cl)CC2=O 100758643 PDONOQHQGBCJQC-IAGOWNOFSA-N 340.250 4.717 0 40 EJAB O=C(O)c1cccc2c1N[C@@H](c1ccc(F)cc1)[C@H]1[C@@H]3CC[C@@H](C3)[C@@H]21 139117805 XRZXZBRJZSEQSF-OLZVCHQQSA-N 337.394 4.820 0 40 EJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cc(C)cc(C)c1 223354306 IXLYBFIDERZSTF-OAQYLSRUSA-N 337.463 4.978 0 40 EJAB CCCC[C@H](CC)CNC(=O)[C@H](C)Oc1cccc2ccccc12 224287443 FNCDBQXUDCKGAT-IRXDYDNUSA-N 327.468 4.940 0 40 EJAB COc1ccccc1NC(=O)N[C@H](c1ccccc1)c1cccc(C)c1 225769727 AGAAYTWQHUVHIS-OAQYLSRUSA-N 346.430 4.915 0 40 EJAB C[C@@H]1[C@@H](O)C[C@@H]2C[C@H]1[C@H](c1ccc(OC3CCCC3)cc1)OC2(C)C 257322613 WGRVUCOEOKSZDW-YDPHYOHUSA-N 344.495 4.881 0 40 EJAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1ccnn1C1CCCC1 330051891 OEMBLWCOAFGYJQ-AWEZNQCLSA-N 337.423 4.578 0 40 EJAB CCOc1ccc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1 408558729 SHWMQUPHTGGARY-QGZVFWFLSA-N 333.840 4.517 0 40 EJAB CCOc1ccccc1/C=C1/SC(=O)N(CC2CCCCC2)C1=O 409132556 KDCFRZVZFGUTOQ-SFQUDFHCSA-N 345.464 4.702 0 40 EJAB Cc1sc(NC(=O)c2ccccc2)c(C(=O)c2ccccc2)c1C 411280 YZQBMFSGFFOZLQ-UHFFFAOYSA-N 335.428 4.848 0 40 EJAB Cc1ccc(Cn2ncc3c(Nc4ccc(Cl)cc4)ncnc32)cc1 521699 VQCRNWINJYGBJO-UHFFFAOYSA-N 349.825 4.580 0 40 EJAB CCOc1ccc2c(=O)c(Oc3ccccc3OCC)c(C)oc2c1 534489 WPABOHXBQBCPSS-UHFFFAOYSA-N 340.375 4.691 0 40 EJAB biogenic Cc1cc(C)cc(OCC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)c1 570019 RVSDQOCRSYKLJU-UHFFFAOYSA-N 343.426 4.892 0 40 EJAB CC(=O)N(CCc1ccccc1)c1nc(-c2ccc(F)cc2)cs1 932834 BSKAJGOVEKCHHK-UHFFFAOYSA-N 340.423 4.545 0 40 EJAB CCCN(C(=O)C1CCCCC1)c1nnc(-c2cccc(F)c2)s1 1345480 KQOUQFGILGHBTJ-UHFFFAOYSA-N 347.459 4.668 0 40 EJAB Fc1ccc([C@@H](CCNCc2ccccc2F)c2ccco2)cc1 1900286 TUISOILCFZOYCL-GOSISDBHSA-N 327.374 4.870 0 40 EJAB O=C(CCOc1ccccc1)Nc1nc2c(ccc3ccccc32)s1 2474916 LYMQQPRJPORGKM-UHFFFAOYSA-N 348.427 4.857 0 40 EJAB CC(Cl)(Cl)C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 3203640 HEAQRNYFGAGUHM-UHFFFAOYSA-N 335.643 4.596 0 40 EJAB Cc1cc(C)c(C(=O)COC(=O)/C=C/c2ccccc2Cl)c(C)c1 3334714 YXDMDSXCCJELJG-CMDGGOBGSA-N 342.822 4.705 0 40 EJAB CC(=O)O[C@@]1(C)CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 4074042 YKEIELWRIARSQU-WJONBXBPSA-N 346.511 4.920 0 40 EJAB biogenic,in-vitro CN(C)CCCn1c(-c2ccccc2)cc(=S)c2c1CCCC2 4276306 ZSMXSHKVSRUFHQ-UHFFFAOYSA-N 326.509 4.715 0 40 EJAB CC[C@H]1C[C@H](CC(=O)NC(=S)Nc2c(C)cc(C)cc2C)C1(C)C 5333353 TVONEUAFZJSLRA-JKSUJKDBSA-N 346.540 4.887 0 40 EJAB COc1ccc(-c2csc(/C=C/c3ccc4c(c3)OCO4)n2)cc1 5444357 ZHVOQUSNSFGZIM-YCRREMRBSA-N 337.400 4.718 0 40 EJAB Cc1ccc(C(=O)OCc2ccc(C(=O)Nc3ccccc3)cc2)cc1 6430692 IKHMTCURNWPDFK-UHFFFAOYSA-N 345.398 4.604 0 40 EJAB COc1cccc(CNC2CCCCC2)c1OCc1ccccc1 8495486 UDAQIBINFREAOM-UHFFFAOYSA-N 325.452 4.697 0 40 EJAB COc1ccc(Cc2nnc(-c3cc4cc(C)ccc4n3C)s2)cc1 9668918 BALDDGDCRVHGCY-UHFFFAOYSA-N 349.459 4.605 0 40 EJAB COC(=O)c1cc2c(C(F)(F)F)cc(-c3ccccc3)nc2s1 12559903 QPFGRYJLNPPPDG-UHFFFAOYSA-N 337.322 4.769 0 40 EJAB c1ccc(C2=Nc3c(ccc4ccccc34)C(c3ccncc3)=NN2)cc1 13544449 IKHJSFHAHLFWOV-UHFFFAOYSA-N 348.409 4.669 0 40 EJAB Cc1[nH]c2ccccc2c1-c1csc(NC(=O)CC(C)(C)C)n1 14595494 NCKGXCRYVCOUEG-UHFFFAOYSA-N 327.453 4.975 0 40 EJAB Cc1ccccc1[C@@H](C)NC(=O)c1sc(-c2ccsc2)nc1C 15518635 NEUCAUOCOVTBIM-GFCCVEGCSA-N 342.489 4.979 0 40 EJAB CC(C)c1ccc(Nc2ncnc3c2cnn3-c2ccc(F)cc2)cc1 17113672 DJRNACNCMVHIDK-UHFFFAOYSA-N 347.397 4.822 0 40 EJAB COc1ccc(C)cc1[C@@H](C)NC(=O)N(C)[C@H](C)c1ccc(F)cc1 22396301 MJQNYRDLTXLKLQ-HUUCEWRRSA-N 344.430 4.606 0 40 EJAB Cc1cc(OCC(=O)N(C)c2ccc(O)cc2)c(C(C)C)cc1Cl 24752499 MZCUMYMLHWXPPW-UHFFFAOYSA-N 347.842 4.519 0 40 EJAB CC(=O)N1CN([C@H](C)c2ccccc2)Cc2c1sc1c2CCCC1 54596802 XBIMRZOZTSGQCP-CQSZACIVSA-N 340.492 4.514 0 40 EJAB O=C(Nc1ccc2oc(C3CC3)nc2c1)NC1CCCCCCC1 58075510 ZUNWDEZQBRZINJ-UHFFFAOYSA-N 327.428 4.940 0 40 EJAB COc1ccc(Cl)cc1NC(=S)Nc1cc(Cl)ccc1F 71761634 ASUJMNDKEQVXIS-UHFFFAOYSA-N 345.226 4.950 0 40 EJAB C[C@@H](NCc1cc2cc(F)ccc2o1)c1cccc(-n2cccn2)c1 72925020 RNSXYCWRIQJGFT-CQSZACIVSA-N 335.382 4.608 0 40 EJAB COC(=O)/C=C/c1ccc(OCc2cccc3ccccc23)c(OC)c1 216892941 UJCJEMYTOAEVAM-ACCUITESSA-N 348.398 4.614 0 40 EJAB Cc1cc(Cl)ccc1C[C@@H](Oc1cccc2ccccc12)C(=O)O 225075220 KYTVRFFNIHOZTO-LJQANCHMSA-N 340.806 4.876 0 40 EJAB CCCC[C@H](CC)CNC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2 225115501 PFJSEXSCQIBIFH-IRXDYDNUSA-N 331.500 4.665 0 40 EJAB O=C(NCCSCc1ccc(Cl)cc1Cl)C1CCCC1 225411362 YKNGIAXWBKMWAM-UHFFFAOYSA-N 332.296 4.533 0 40 EJAB CCOc1ccc(CCCNC(=S)Nc2cc(C)ccc2C)cc1 225621273 ZYBZDFVMAJEWPL-UHFFFAOYSA-N 342.508 4.621 0 40 EJAB Cc1cc(/C=C/C(=O)O)cc(C)c1OC(=O)c1ccc(C(C)C)cc1 256054149 VCJSVPUEBZMOSC-BJMVGYQFSA-N 338.403 4.744 0 40 EJAB Cc1cc(Cl)ccc1OCc1nc(-c2ccc(Cl)cc2)no1 78888 DFPDEYDPOFVGOQ-UHFFFAOYSA-N 335.190 4.931 0 40 EJAB S=C(SCc1c(Cl)cccc1Cl)N1CCSCC1 140421 CZXPJFOVTMSCBE-UHFFFAOYSA-N 338.350 4.560 0 40 EJAB COc1cccc(/C=N/c2nc3ccc(Br)cc3s2)c1 218179 MNVBSKYOWDWKLN-RQZCQDPDSA-N 347.237 4.818 0 40 EJAB COc1ccc(CNC(=O)/C(=C/c2cccs2)c2ccccc2)cc1 1399010 HEEWCIGQJZHRNB-XSFVSMFZSA-N 349.455 4.614 0 40 EJAB CCCCCn1c(CCCNC(=O)c2ccccc2)nc2ccccc21 2721544 GTFHTSLYXZGMTB-UHFFFAOYSA-N 349.478 4.589 0 40 EJAB Cc1ccc(-c2csc(NC(=O)c3ccc(F)cc3F)n2)cc1 3321857 WVDKYZQIDUKEFN-UHFFFAOYSA-N 330.359 4.649 0 40 EJAB CC[C@@H](C)N1C(=O)c2ccc(C34CC5CC(CC(C5)C3)C4)cc2C1=O 4704029 PWDYQCQLJMPVRY-ZHHULCEESA-N 337.463 4.549 0 40 EJAB C[C@H](CCc1ccccc1)NC(=O)Nc1cccc(C(F)(F)F)c1 6267332 PYWWRWOAIUFIDY-CYBMUJFWSA-N 336.357 4.848 0 40 EJAB CCCOc1c(Cl)cc(C(=O)Nc2cccc(C)c2)cc1OC 6593379 BQOHHPXNGMOPLS-UHFFFAOYSA-N 333.815 4.698 0 40 EJAB Cc1ccc(C)c(-c2csc(NC(=O)Cc3cccc(F)c3)n2)c1 6790319 MLHXOMLWIHGEII-UHFFFAOYSA-N 340.423 4.747 0 40 EJAB CCOc1ccccc1NC(=O)c1sc2cccc(F)c2c1C 7667419 DRJXSGUVJCQTPD-UHFFFAOYSA-N 329.396 5.000 0 40 EJAB Cc1c(C(=O)N[C@@H](C)c2ccc(F)c(F)c2)oc2ccc(F)cc12 7987654 DOOUYKXHOZFEPH-JTQLQIEISA-N 333.309 4.650 0 40 EJAB CCC[C@@H](Sc1ccccc1NC(=O)C1CCCCC1)C(=O)O 8732966 DAYLWMHUOGIXSG-MRXNPFEDSA-N 335.469 4.551 0 40 EJAB O=C(NC1CCCCCC1)c1ccc2nc(-n3cccc3)sc2c1 8990178 MPTPRDONENCSOR-UHFFFAOYSA-N 339.464 4.540 0 40 EJAB CCOc1ccc(NC(=O)CNc2ccccc2-c2ccccc2)cc1 11618718 UYAWHHUOCXDJIX-UHFFFAOYSA-N 346.430 4.803 0 40 EJAB CC(C)c1noc([C@H](C)Sc2nc(C3CC3)nc3ccccc23)n1 12922492 AHYXPAVAJHWUFN-NSHDSACASA-N 340.452 4.867 0 40 EJAB CC(C)c1ccccc1NC(=S)NC(=O)c1ccc(Cl)cc1 14784317 GTTTXYCRPJIYHL-UHFFFAOYSA-N 332.856 4.590 0 40 EJAB O=C(CSc1ccc(F)cc1)Nc1cccc(C(F)(F)F)c1 15319900 MRPYDZNEIWVENM-UHFFFAOYSA-N 329.318 4.575 0 40 EJAB Cc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 20459213 PHTFEHHMXRGZDY-JKSUJKDBSA-N 345.870 4.910 0 40 EJAB O=C(Nc1cccnc1)c1cccc(OCc2ccccc2Cl)c1 22258198 ZSVVGEWOWSQUJG-UHFFFAOYSA-N 338.794 4.566 0 40 EJAB CCOC(=O)Nc1cccc(OCc2coc(-c3cccs3)n2)c1 22739739 JFSMJZYLNFPWCB-UHFFFAOYSA-N 344.392 4.551 0 40 EJAB O=C1CCc2c(OCc3ncc(-c4cccc(Cl)c4)o3)cccc21 25828914 HKOIQPKXBNPLQY-UHFFFAOYSA-N 339.778 4.703 0 40 EJAB COc1cc(CCc2ccc(OCC=C(C)C)cc2)cc2c1OCO2 31168415 UOUFYEQUUCSLPP-UHFFFAOYSA-N 340.419 4.554 0 40 EJAB biogenic,in-vitro Cc1ccc(CCC(=O)N[C@H](C)c2ccc(F)cc2F)cc1Cl 32847874 UTVWCFPMWCYUEA-GFCCVEGCSA-N 337.797 4.737 0 40 EJAB COc1ccccc1C(=O)N(CCc1ccccc1)Cc1ccccc1 32963899 YQXCCGHRVMFKCR-UHFFFAOYSA-N 345.442 4.580 0 40 EJAB O=C(c1cnc2ccc(F)cc2c1Nc1ccccc1)N1CCCCC1 35478563 PXBNFZFNPSIRAJ-UHFFFAOYSA-N 349.409 4.744 0 40 EJAB Cc1ncsc1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3)=NN21 51329698 DTWUYRHBYJFWGS-FXAWDEMLSA-N 347.443 4.694 0 40 EJAB Cc1ccc(Cn2cnc3c(-c4cccc(C)c4)csc3c2=O)cc1 64667598 WBSIEMLGAZTRCO-UHFFFAOYSA-N 346.455 4.790 0 40 EJAB Cc1cc(-c2csc(NC(=O)c3occc3C)n2)c(F)cc1F 75093888 PYJWGNDNXABIMQ-UHFFFAOYSA-N 334.347 4.550 0 40 EJAB CCc1ccc([C@H](C)NC(=O)[C@H](CC)Oc2ccccc2C)cc1 78458354 BRBICAYWICCJOF-LPHOPBHVSA-N 325.452 4.592 0 40 EJAB CC(C)(C)OC(=O)Cc1c(Br)ccc(Cl)c1Cl 199830982 WZIMDMZPQWVZEI-UHFFFAOYSA-N 340.044 4.640 0 40 EJAB COc1cc(-c2nc3c(ccc4ccccc43)o2)cc(OC)c1OC 216762605 YMDIOWMIRGHCQM-UHFFFAOYSA-N 335.359 4.674 0 40 EJAB Cc1ccc(NC(=S)NCCOc2ccc(C(C)(C)C)cc2)cc1 223661010 UAKBMTHASPZVOP-UHFFFAOYSA-N 342.508 4.658 0 40 EJAB CCCCOc1ccc(NC(=O)C2(OCCC)CCC(C)CC2)cn1 225912258 KLMQHPNJGDEHTN-UHFFFAOYSA-N 348.487 4.575 0 40 EJAB C[C@H](O)c1ccc(NC(=O)c2cccc3c(Cl)cccc23)cc1 226272804 BNQHUTXFSYEJII-LBPRGKRZSA-N 325.795 4.799 0 40 EJAB C[C@@H](Nc1ccc(NC(=O)[C@H](C)c2ccccn2)cc1)c1ccccc1 252481670 CQFDISYUTQWOHM-IAGOWNOFSA-N 345.446 4.997 0 40 EJAB C[C@@H]1C[C@H]1N(C(=O)c1cnc2onc(C(C)(C)C)c2c1)c1ccccc1 576805940 WJELGXYHWFGZQA-CXAGYDPISA-N 349.434 4.576 0 40 EJAB CC[C@@H](C)n1c(-c2ccc(OC)cc2)nc2nc3ccccc3nc21 539650 LUNQDXOKYWVXHS-CYBMUJFWSA-N 332.407 4.626 0 40 EJAB O=C(c1c(F)cccc1F)N(Cc1ccccc1)Cc1ccccc1 3192979 CAHHPOXZQLDBDV-UHFFFAOYSA-N 337.369 4.807 0 40 EJAB Cc1sc(NC(=O)CCOc2ccccc2)nc1-c1ccccc1 4076610 OFJSOABSBYJZPI-UHFFFAOYSA-N 338.432 4.526 0 40 EJAB COc1ccc(CCCC(=O)Nc2c(C)cc(C)cc2C)cc1C 4691490 TTXKWQYFPPWMNS-UHFFFAOYSA-N 325.452 4.890 0 40 EJAB CCn1c2ccc(C)cc2c2nnc(SCc3ccccc3)nc21 5478004 RSWGDHIWROMVJN-UHFFFAOYSA-N 334.448 4.600 0 40 EJAB CCc1cccc(C)c1NC(=O)c1ccc(-n2nc(C)cc2C)cc1 7979432 BWTIKHVWAYCIFU-UHFFFAOYSA-N 333.435 4.612 0 40 EJAB CC(C)Sc1ccccc1C(=O)NC12CC3CC(CC(C3)C1)C2 8492806 SEBZIVXIYJIZPQ-UHFFFAOYSA-N 329.509 4.886 0 40 EJAB Cn1c(SCc2ccc(F)cc2)nnc1-c1cc2ccccc2o1 9306152 XJBFTVVFJUTZOC-UHFFFAOYSA-N 339.395 4.660 0 40 EJAB Cc1ccccc1C(=O)Nc1ccc2c(c1)C(=O)Nc1ccccc1O2 9827824 CPGUYPHOYZOUJM-UHFFFAOYSA-N 344.370 4.605 0 40 EJAB COc1ccc2cc(CNC(=O)N(C)[C@@H](C)c3ccccc3)ccc2c1 10495849 ZTZNEIJXVJPKSM-INIZCTEOSA-N 348.446 4.751 0 40 EJAB O=C1c2ccccc2N[C@@H](c2csc(-c3ccccc3)n2)N1C1CC1 12548834 UIZHUKKAQKTDHM-GOSISDBHSA-N 347.443 4.539 0 40 EJAB O=C(Nc1ccc(Cl)cc1)N[C@@H](c1ccccc1)c1ccccn1 12557612 JZLQJERXAWUAPW-SFHVURJKSA-N 337.810 4.646 0 40 EJAB O=C(Nc1ccc(C(F)(F)F)cc1)c1cc2c(s1)CCCC2 12578342 HBKYQLLTYSRUBL-UHFFFAOYSA-N 325.355 4.898 0 40 EJAB C[C@H]1Cc2ccccc2N1C(=O)/C=C/c1ccc(Cl)cc1Cl 13668099 OXLUBBNXRRZOTE-CRALRDPISA-N 332.230 4.984 0 40 EJAB O=C(Cc1csc(-c2ccccc2)n1)Nc1cccc2ncccc12 13688745 ZMHIIOFKGCTEQW-UHFFFAOYSA-N 345.427 4.540 0 40 EJAB Cc1cccc(NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)c1C 14396521 DDUSEYZOAAWOAC-HNNXBMFYSA-N 331.843 4.980 0 40 EJAB C[C@@H](CNC(=O)C1c2ccccc2Oc2ccccc21)c1ccccc1 14604996 DDTDKMWFJOOOIH-INIZCTEOSA-N 343.426 4.844 0 40 EJAB Cc1ccc(Nc2nn(-c3ccccc3)c3c2C(=O)CCC3)cc1C 20671871 SSBFHILWUPCDCI-UHFFFAOYSA-N 331.419 4.752 0 40 EJAB CCC[C@](O)(c1ccc(C)cc1)[C@@H](CN1CCCC1)c1ccccc1 20868905 ZPGXQPDUMYGAJT-GOTSBHOMSA-N 337.507 4.862 0 40 EJAB Fc1cccc(NC(=S)Nc2cccc(OC(F)(F)F)c2)c1 71760853 XDAJTTJEUVCYFH-UHFFFAOYSA-N 330.306 4.533 0 40 EJAB C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(NC2CCCCC2)cc1 78594330 JNIHYTYQYMJROE-CALCHBBNSA-N 344.499 4.600 0 40 EJAB COc1ccc(/C=C/c2nc3ccccc3c(C(=O)O)c2C)cc1F 89556213 MSIURYCJXWKLQV-VQHVLOKHSA-N 337.350 4.560 0 40 EJAB O=C(Nc1cccc(C[S@@](=O)C2CCCCC2)c1)c1cccs1 96408295 ONAWQTPHQPMXLG-QHCPKHFHSA-N 347.505 4.582 0 40 EJAB O=C(c1cccc(Cl)c1)N1CCS[C@@H](c2ccccc2)CC1 211141374 LEDOOMHJJNNHEU-QGZVFWFLSA-N 331.868 4.660 0 40 EJAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCc1cccc2ccccc12 222873565 HDELKOLQBWXLCX-OAQYLSRUSA-N 347.458 4.930 0 40 EJAB Cc1ccc(CNC(=O)c2cc3cc4ccccc4nc3s2)cc1 223126840 QEJZCZYHXYWTGZ-UHFFFAOYSA-N 332.428 4.688 0 40 EJAB Cc1cc(C)c([C@@H](C)NC(=O)Cc2ccc(Cl)cc2F)cc1C 223496133 MWMOJKMWCNFKBA-CQSZACIVSA-N 333.834 4.824 0 40 EJAB CC[C@@H](NC(=O)C1(c2ccccc2)CCCC1)c1ccc(OC)cc1 224335580 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Oc1ccc(Br)cc1/C=C/c1ccc2cccc(O)c2n1 4755072 NCVAOVKSTBAPPO-VMPITWQZSA-N 342.192 4.579 0 40 EJAB CCCSc1nc2sc3c(c2c(=S)[nH]1)CC(C)(C)OC3 5893632 WFJZXUPTEUIHEM-UHFFFAOYSA-N 326.512 4.707 0 40 EJAB O=C(Nc1nc(-c2cccc3ccccc23)cs1)c1cccnc1 6342623 NXKUGBRRNCTJCU-UHFFFAOYSA-N 331.400 4.611 0 40 EJAB Cc1cccc(NCc2ccc(OCC(=O)Nc3ccccc3)cc2)c1 6967705 HHWXQEDFIYIDQX-UHFFFAOYSA-N 346.430 4.625 0 40 EJAB CCSc1cc2c(cc1O)CC[C@H]1[C@@H]2CC[C@@]2(C)[C@@H](O)CC[C@H]12 8665615 OBPZKZMDIDKGHG-XAZWDOJMSA-N 332.509 4.721 0 40 EJAB CCCOc1ccc(C(=O)Nc2nnc(C3CCCCC3)s2)cc1 12764734 SVLWLBCYBXOYOZ-UHFFFAOYSA-N 345.468 4.627 0 40 EJAB Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c(F)c1 12784809 FNFALEFHGZJFCO-SNVBAGLBSA-N 342.197 4.847 0 40 EJAB Cc1nc(-c2ccc(NC(=O)c3cc(Cl)ccc3F)cc2)co1 12981078 IAPXLQQDYXVUJA-UHFFFAOYSA-N 330.746 4.695 0 40 EJAB Cc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 20038265 JUCWGJVGBWPJJS-DLBZAZTESA-N 339.479 4.937 0 40 EJAB CCc1cccc(CC)c1NC(=O)[C@H](C)Sc1ccc(OC)cc1 20104942 YTGAIEMYLRXDKB-AWEZNQCLSA-N 343.492 4.939 0 40 EJAB CC[C@H](Oc1cccc2ccccc12)C(=O)N1CCc2ccccc2C1 20105620 XLHKEBZGCQVRKT-NRFANRHFSA-N 345.442 4.582 0 40 EJAB CCSc1ccccc1NC(=O)[C@H](C)Oc1cc(C)ccc1C 20110442 YFXGTFGQVGUTIA-HNNXBMFYSA-N 329.465 4.821 0 40 EJAB CC[C@H](NC(=S)Nc1ccc(Cl)cc1)c1ccc(OC)cc1 20624995 VFTGNHZDRXGAJX-INIZCTEOSA-N 334.872 4.786 0 40 EJAB C[C@H](c1ccccc1)N(C)C(=O)c1ncc(Cl)c(Cl)c1Cl 36728950 MRDIYJMXORNPKJ-SECBINFHSA-N 343.641 4.875 0 40 EJAB COc1ccccc1/C=C/C(=O)N(Cc1ccco1)c1ccccc1 40012244 USDSZCXJYQQIQY-BUHFOSPRSA-N 333.387 4.535 0 40 EJAB O=C(Nc1ccccc1COc1ccccc1)c1ccc2cc[nH]c2c1 56003116 RDNYLOMQEOFNBK-UHFFFAOYSA-N 342.398 4.999 0 40 EJAB CC(C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CC2)cc1 61961439 GZJCWUNSGCNPQT-UHFFFAOYSA-N 329.827 4.798 0 40 EJAB O=C(Nc1ccc(F)cc1Cl)c1cnc(-c2cccs2)s1 66267814 CYCCTKFBSZLUHW-UHFFFAOYSA-N 338.816 4.916 0 40 EJAB Cc1nn(-c2ccc(F)cc2)c(C)c1CNC[C@H](C)c1ccccc1 71839158 VJYVHIVLPJWYLN-HNNXBMFYSA-N 337.442 4.522 0 40 EJAB Cc1ccc2ccccc2c1[C@@H](O)c1ccccc1Br 160970250 MWBHXSIGVOSIQD-SFHVURJKSA-N 327.221 4.992 0 40 EJAB C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CSCC1CCCCC1 195737048 ADJMBPSFLKHARS-CYBMUJFWSA-N 341.467 4.798 0 40 EJAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)NC(C)(C)Cc1ccccc1 222904992 ISEJCEATZOZYCD-LJQANCHMSA-N 339.479 4.598 0 40 EJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NC(C(C)C)C(C)C 223271695 GAVLQKZLYSFEBA-IBGZPJMESA-N 331.500 4.520 0 40 EJAB CCCOCc1cc(C(=O)Nc2ccc(CC)cc2)ccc1OCC 224704766 KUFQWWVOQBQYBY-UHFFFAOYSA-N 341.451 4.827 0 40 EJAB C[C@@H]1C[C@@H](C)CN([C@H](C)C(=O)Nc2ccccc2-c2ccccc2)C1 230018707 WPSGCUBUKCRVEC-KZNAEPCWSA-N 336.479 4.659 0 40 EJAB Cc1ccc(-n2c(C)nnc2SCCCc2ccccc2)cc1C 409094965 GUKALBPKFFTKTM-UHFFFAOYSA-N 337.492 4.917 0 40 EJAB Cc1ccccc1[C@H](N[C@H](C)c1ccc(O)nn1)[C@@H]1CCC[C@H](C)C1 671747519 HUEVAMFTLUQQDF-CTRXZIQJSA-N 339.483 4.709 0 40 EJAB COc1cccc2c(C(=O)N[C@H](C)C(C)(C)c3ccccc3)coc12 1520490965 NNZGSBFZHOTMBP-CQSZACIVSA-N 337.419 4.538 0 40 EJAB COc1ccccc1-c1nnc(-c2cc3ccccc3cc2OC)o1 33761 HQOBSVXZEHXNAM-UHFFFAOYSA-N 332.359 4.574 0 40 EJAB Clc1ccc(Nc2nc(Cl)nc(Oc3ccccc3)n2)cc1 96207 SRJFVMFJHCCPLS-UHFFFAOYSA-N 333.178 4.714 0 40 EJAB COc1ccc(/C=C/C(=O)Nc2ccccc2C(C)(C)C)cc1OC 514678 SUVBXDJKGYZETJ-ACCUITESSA-N 339.435 4.653 0 40 EJAB c1ccc2c(c1)ncn2-c1ccc(-c2ccnc(-c3ccncc3)n2)cc1 1390304 LZRPTEXKZHUVIC-UHFFFAOYSA-N 349.397 4.545 0 40 EJAB Cc1ccc(C(=O)Nc2ccc(CN3CCCCC3)cc2)cc1Cl 5969219 CNTMAGNCBCMPGD-UHFFFAOYSA-N 342.870 4.887 0 40 EJAB CC(=O)c1ccc(OC(=O)CCc2ccc(-c3ccccc3)o2)cc1 7656274 ISFZYSVDRLXOKS-UHFFFAOYSA-N 334.371 4.687 0 40 EJAB Cc1ccc2c(CC(=O)Nc3ccnn3C3CCCC3)coc2c1C 9447310 NRZUSHPAZIWJNU-UHFFFAOYSA-N 337.423 4.542 0 40 EJAB CC(=O)Nc1cccc(NC(=O)CCc2ccc(C(C)(C)C)cc2)c1 10331190 LIOAGGZQKUBIPR-UHFFFAOYSA-N 338.451 4.514 0 40 EJAB COc1ccccc1NC(=O)Nc1ccc(N2CCCCCC2)cc1 12543180 QODIIEQDKZHAMO-UHFFFAOYSA-N 339.439 4.720 0 40 EJAB CCc1cccc(C)c1NC(=O)CCc1ncc(-c2ccccc2)o1 12620142 YEIJQENMXISUCR-UHFFFAOYSA-N 334.419 4.784 0 40 EJAB Cc1c(C(=O)N2CCC[C@H](C(F)(F)F)C2)oc2ccc(Cl)cc12 12877953 DWXLSHAULFKGHA-JTQLQIEISA-N 345.748 4.809 0 40 EJAB CCSc1ccc(C(=O)Nc2cc(C)nn2-c2ccccc2)cc1 13701208 VRPLVYHGOXBGRB-UHFFFAOYSA-N 337.448 4.545 0 40 EJAB Cc1nc(-c2cccs2)sc1C(=O)Nc1ccc(F)cc1F 14160468 BBVNLUJDHDUEMN-UHFFFAOYSA-N 336.388 4.711 0 40 EJAB Fc1ccccc1COc1ccccc1CNCc1cccs1 16449792 WARRPFNOUDYPNA-UHFFFAOYSA-N 327.424 4.756 0 40 EJAB CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 17112753 ILCTUFVQFCIIDS-XRIPXXCGSA-N 332.484 4.530 0 40 EJAB Cc1nc2ccccc2c(C(=O)N2CCCCC2)c1-c1ccccc1 17903331 VXTWIYPYEGQARC-UHFFFAOYSA-N 330.431 4.836 0 40 EJAB CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@H]1CCCc2ccccc21 20104407 WIBLHNZCIMAKCV-PMACEKPBSA-N 337.463 4.655 0 40 EJAB Cc1cccc(O[C@@H](C)C(=O)N[C@@H](CC(C)C)c2ccccc2)c1 20456449 CMIYMCDKPIVPBG-PXNSSMCTSA-N 325.452 4.666 0 40 EJAB CC[C@H](Oc1ccccc1Cl)C(=O)N[C@H](C)c1cc(C)ccc1C 22529734 FLIFOIYPOHBSJM-QAPCUYQASA-N 345.870 4.992 0 40 EJAB O=C(N[C@@H](c1ccccc1)c1cc2ccccc2o1)[C@H]1CC=CCC1 24709010 WNVKKJFOTZADNL-UWJYYQICSA-N 331.415 4.995 0 40 EJAB Clc1ccc2oc(/C=C/c3cnn(Cc4ccccc4)c3)nc2c1 27121733 YCYOQWSLHLBMBF-RMKNXTFCSA-N 335.794 4.896 0 40 EJAB C[C@H]1CCCC[C@@H]1NC(=O)Cc1csc(-c2cccc(Cl)c2)n1 36779210 BLYSIBHXMVGQDJ-LRDDRELGSA-N 348.899 4.701 0 40 EJAB O=C(NCc1ccsc1-n1cccc1)Nc1cccc(Cl)c1 40155869 DEPIWKUZJSIXCC-UHFFFAOYSA-N 331.828 4.514 0 40 EJAB C[C@H](NC(=O)c1ccc(SCc2cscn2)cc1)c1ccco1 44896769 CXQNKGSBIRGKFS-LBPRGKRZSA-N 344.461 4.519 0 40 EJAB Cc1ccc(NC(=O)Nc2ccc(F)cc2Br)cc1C 51354172 HXVKZEKCTTUZAO-UHFFFAOYSA-N 337.192 4.849 0 40 EJAB CN(C)C(=O)[C@@H](Sc1c(Cl)cccc1Cl)c1ccccc1 61141158 XKOCRJUIUBWIMQ-AWEZNQCLSA-N 340.275 4.915 0 40 EJAB O=C(/C=C/c1cccc(Oc2ccccc2)c1)Nc1ccc(O)cc1 62715474 DXXXFBLZLFOWRY-NTEUORMPSA-N 331.371 4.836 0 40 EJAB Cc1noc(C(C)C)c1C(=O)Nc1ccnc(Oc2ccccc2)c1 69705742 ISYQKHNLURSUMS-UHFFFAOYSA-N 337.379 4.546 0 40 EJAB CC(C)(C)OC(=O)N1CCCC[C@H]1c1cccnc1N1CCCCC1 72216131 FWFJKUFVCLHZJF-KRWDZBQOSA-N 345.487 4.534 0 40 EJAB COc1ccc2c(c1Oc1ccccc1)[C@@]13CC=CC=C1[C@H](C2)NCC3 100393743 YGXWFNJFMMVROW-WMZHIEFXSA-N 345.442 4.530 0 40 EJAB biogenic,in-vitro CC[C@H](Oc1ccc(C)cc1C)C(=O)N[C@H](C)c1ccc(C)cc1 113970227 NYTUZZFPFQZACS-MJGOQNOKSA-N 325.452 4.647 0 40 EJAB COc1ccc(-c2nnc(NCc3ccc(C)o3)c3ccccc23)cc1 199412600 ZEOZICGXRSJVOT-UHFFFAOYSA-N 345.402 4.819 0 40 EJAB CC(C)Cn1c(SCc2ccc(F)cc2)nc2ccsc2c1=O 206596550 BQIYVGGMEDCJBH-UHFFFAOYSA-N 348.468 4.545 0 40 EJAB Fc1ccc(-c2nc3cc(Cl)cc(Br)c3[nH]2)cc1 216914275 NKFLTESTQNJSKF-UHFFFAOYSA-N 325.568 4.785 0 40 EJAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccccc1Cl)c1ccc(C)c(C)c1 219060451 OGMWGYOLMPJHOF-CRAIPNDOSA-N 345.870 4.992 0 40 EJAB Cc1ccc(C)c(C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)c1 225179240 BQHMEMVKFKOKMI-UHFFFAOYSA-N 340.448 4.513 0 40 EJAB O=C1S/C(=C/c2ccccc2Cl)C(=O)N1CCc1ccccc1 409208665 DJUYYQWORHILKU-FOWTUZBSSA-N 343.835 4.619 0 40 EJAB Cc1c(NC(=O)c2cccc(F)c2)cccc1-c1nc2ncccc2o1 294850 KGHZPPUINSQEIU-UHFFFAOYSA-N 347.349 4.590 0 40 EJAB CC(C)(C)[C@H]1COc2ccccc2N1C(=O)c1cccc(Cl)c1 1392396 VASIBLKLOJMDAS-QGZVFWFLSA-N 329.827 4.794 0 40 EJAB CCCCOC(=O)c1ccc(OC(=O)Nc2ccc(Cl)cc2)cc1 1741502 UNNYFIDMFWFGRX-UHFFFAOYSA-N 347.798 4.908 0 40 EJAB CC(C)[C@@H]1C[C@@](CCNCc2ccco2)(c2ccccc2)CCO1 1774073 UMCUDUUEJCLEGK-SFTDATJTSA-N 327.468 4.532 0 40 EJAB biogenic Cc1ccc(-c2csc(NC(=O)/C=C/c3ccc(F)cc3)n2)cc1 1930520 XMSDQUGZQNEGFN-IZZDOVSWSA-N 338.407 4.910 0 40 EJAB CCN(CC)CCC[C@@H](C)Nc1cc(C)nc2ccc(N(C)C)cc12 2033767 UBFRBEMNLDGLCO-MRXNPFEDSA-N 342.531 4.532 0 40 EJAB C[C@@H]1CCc2c(sc3ncnc(OCc4ccccc4F)c23)C1 2640078 OMWXUUIDICARNA-LLVKDONJSA-N 328.412 4.534 0 40 EJAB O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1cc2ccccc2o1 3483527 DYSKBYWMICMJQI-UHFFFAOYSA-N 338.363 4.948 0 40 EJAB Cc1ccc(SCCC(=O)Nc2nc3c(s2)C[C@H](C)CC3)cc1 4496508 AUUYNRQEPLFOAP-CYBMUJFWSA-N 346.521 4.697 0 40 EJAB CC[C@@H](C)NCc1cc(Cl)c(OCc2cccs2)c(OC)c1 5019671 YOPWQYPXIUHETA-GFCCVEGCSA-N 339.888 4.877 0 40 EJAB CC1(C)CC(c2c[nH]c3ccccc23)=CC2=Nc3ccccc3[C@@]21O 5734393 ZJSCSYPLASWQES-JOCHJYFZSA-N 328.415 4.955 0 40 EJAB CCc1sc(C(=O)OCc2ncc(-c3ccccc3)o2)cc1C 6432652 KMCACWXATSNVCS-UHFFFAOYSA-N 327.405 4.631 0 40 EJAB Cc1ccc(NC(=S)NCCSCc2ccccc2)cc1C 7369733 YUXVRWXVXCJZPG-UHFFFAOYSA-N 330.522 4.523 0 40 EJAB CNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl 8377364 WRMVNUZNJCGUFI-UHFFFAOYSA-N 330.642 4.945 0 40 EJAB O=C(c1ccccc1C(F)(F)F)N1CCCSc2ccccc21 12915292 WRVUTSWPXKJVJO-UHFFFAOYSA-N 337.366 4.848 0 40 EJAB O=C(NC1CCCCCCC1)c1ccccc1SC[C@@H]1CCCO1 19309807 JLHLKHDEEMPPOW-KRWDZBQOSA-N 347.524 4.800 0 40 EJAB Cc1cc(OCCSc2nnc(-c3ccc[nH]3)o2)ccc1C(C)C 28131150 AKGCLPTWNZLWOL-UHFFFAOYSA-N 343.452 4.668 0 40 EJAB CCOc1cc(C(=O)N[C@H](CC(C)C)c2cccs2)ccc1OC 40157315 ZIJSJWSJXYIANC-OAHLLOKOSA-N 347.480 4.673 0 40 EJAB CC(C)(C)c1nc(CSc2nc(-c3ccccc3F)n[nH]2)cs1 41703079 UETWXPQQUCIMBA-UHFFFAOYSA-N 348.472 4.657 0 40 EJAB Cc1ccc(Oc2ccc(NC(=O)c3scnc3C)cn2)cc1C 55403571 ZTTDROAUFAQXQZ-UHFFFAOYSA-N 339.420 4.508 0 40 EJAB CCc1cccc(CC)c1NCc1cc2cc(C)c(C)cc2[nH]c1=O 57577714 GDTIFTIRNGCIKO-UHFFFAOYSA-N 334.463 4.882 0 40 EJAB Cc1ccn2cc(-c3ccc4c(c3)C[C@H](C)N4C(=O)C(C)(C)C)nc2c1 57775266 ILESNDVQFOZJQJ-HNNXBMFYSA-N 347.462 4.633 0 40 EJAB O=C(Nc1cccc2[nH]ccc12)c1cc(-c2cccc(Cl)c2)on1 65521520 OUPRZRJOWHTISJ-UHFFFAOYSA-N 337.766 4.729 0 40 EJAB CCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2CCC)cn1 72214679 FDHSGONMUSRFER-QGZVFWFLSA-N 347.503 4.780 0 40 EJAB O=C(Cn1ccc2ccccc21)Oc1ccccc1-c1ccccc1 84562847 AUNYHPZCSXERTJ-UHFFFAOYSA-N 327.383 4.914 0 40 EJAB COc1ccc2cc(C(=O)c3ccc(Br)cc3)ccc2c1 95917080 ODLASZDSZIMXDE-UHFFFAOYSA-N 341.204 4.842 0 40 EJAB COc1ccc([C@H]2C3=C(O)CCCC3=Nc3nc4ccccc4n32)cc1 102889357 ZNUQSQHGQOUGJI-FQEVSTJZSA-N 345.402 4.716 0 40 EJAB O=C(N[C@@H]1CCCc2ccccc21)[C@H]1CCC[C@@H](C(F)(F)F)C1 105657840 BHVLVJYKEAOAQT-SQWLQELKSA-N 325.374 4.549 0 40 EJAB O=C(c1cccs1)N1CCS[C@@H](c2ccccc2Cl)CC1 208046626 HVKHZMZTCRJGPS-CQSZACIVSA-N 337.897 4.722 0 40 EJAB O=C(O)c1ccc2c(c1)N[C@H](c1ccccc1)[C@H](c1ccccc1)N2 217676141 IHKRBIZCPIQQSB-VQTJNVASSA-N 330.387 4.705 0 40 EJAB O=C(Cc1ccc(Cl)cc1F)Nc1cc(Cl)cc(Cl)c1 224732100 MYCGGNDWUSRBDP-UHFFFAOYSA-N 332.589 4.967 0 40 EJAB Cc1cc(Cl)ccc1C[C@H](Oc1ccccc1C(C)C)C(=O)O 225074702 OASRAEKWQFHQCU-SFHVURJKSA-N 332.827 4.847 0 40 EJAB C[C@H](NC(=O)c1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccccc1 225254721 ULKAVBDSDQDWEC-HNNXBMFYSA-N 341.414 4.721 0 40 EJAB Cc1cc(C)cc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccccc32)c1 225575085 ZJUPJUBVGFWDNH-QGZVFWFLSA-N 340.492 4.892 0 40 EJAB CC1(C)C[C@@H](NC(=S)Nc2ccc(F)cc2F)c2ccccc2O1 225577028 PBMKDSQZWRLNQT-OAHLLOKOSA-N 348.418 4.554 0 40 EJAB CCC[C@@](C)(OCC)C(=O)Nc1cc(C)c(OCC(C)C)c(C)c1 225694788 UDLWIADORDYXRY-HXUWFJFHSA-N 335.488 4.872 0 40 EJAB Cc1ccc(/C=C2/N=C(c3ccc(Cl)cc3Cl)OC2=O)cc1 60416 VCDBBCSWFONGGK-OVCLIPMQSA-N 332.186 4.646 0 40 EJAB Cc1ccn2c(NC[C@H]3CCCO3)c(-c3ccc(Cl)cc3)nc2c1 417331 ONUKXBFBHGHIGZ-MRXNPFEDSA-N 341.842 4.554 0 40 EJAB Cc1ccc(-c2nnc(SCc3ccc(Cl)cc3)n2C)cc1 421408 GBPANACLFBTYAI-UHFFFAOYSA-N 329.856 4.736 0 40 EJAB Cc1cc(C)nc(S[C@H](C(=O)c2ccccc2)c2ccccc2)n1 479962 HVSSNKKYBIXOPL-IBGZPJMESA-N 334.444 4.810 0 40 EJAB COc1nc(-c2ccc(C)cc2)ccc1-c1noc(-c2ccccc2)n1 498644 IJDJGYVRTMHCLG-UHFFFAOYSA-N 343.386 4.783 0 40 EJAB CCCC(=O)N(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)s1 1356401 WAPMUEADSPIRHP-UHFFFAOYSA-N 331.485 4.656 0 40 EJAB C[C@@H](OC(=O)C[C@H](c1ccccc1)N1CCCCC1)c1ccccc1 1569404 WWFXXOLLBWVWJA-WIYYLYMNSA-N 337.463 4.908 0 40 EJAB CCc1c(C)nc2c(-c3ccccc3)c(C)nn2c1N1CCCCC1 2323533 QZZYEBGYEJWHKW-UHFFFAOYSA-N 334.467 4.566 0 40 EJAB COc1ccc(Cl)cc1NC(=O)Cc1coc2cc(C)c(C)cc12 3325480 DEDJPFWWPASAJW-UHFFFAOYSA-N 343.810 4.893 0 40 EJAB CCc1ccc(OCCCn2c([C@@H](O)CC)nc3ccccc32)cc1 4911240 YNWWOYWTDBHQHP-FQEVSTJZSA-N 338.451 4.511 0 40 EJAB O=C(CN1CCCCC1)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 5043971 OKUDWNOUPOGCKG-MGAZVUHYSA-N 337.507 4.580 0 40 EJAB CC(C)c1ccc([C@H](NC(=O)COc2ccccc2F)C(C)C)cc1 5407269 TVEZWSQNHJWOJS-OAQYLSRUSA-N 343.442 4.841 0 40 EJAB COc1ccc(CSc2ncnc3sc4c(c23)CCC4)cc1F 6112540 JFNQRZRTIHJOND-UHFFFAOYSA-N 346.452 4.620 0 40 EJAB O=C(/C=C/c1cccc(C(F)(F)F)c1)Nc1ccc(F)c(F)c1F 6376358 YGBYEBDBCBEKDI-QPJJXVBHSA-N 345.242 4.775 0 40 EJAB CC(=O)c1ccc(-c2ccc(C(=O)NC3CCCCCC3)o2)cc1 6638709 VASOOQOYYSBZBY-UHFFFAOYSA-N 325.408 4.602 0 40 EJAB CN(C)c1ccc(-c2nc3ccccc3s2)cc1Br 6949316 GFHMRRRICXLDRO-UHFFFAOYSA-N 333.254 4.792 0 40 EJAB C[C@H](N[C@H](C)C(=O)Nc1cccc(F)c1)c1ccc2ccccc2c1 12869669 LWWFAARRZYXROW-LSDHHAIUSA-N 336.410 4.657 0 40 EJAB CC[C@@H](NCc1nc(-c2cccs2)no1)c1ccc(Cl)cc1 12876327 MMGDBNQCXNYFHT-CYBMUJFWSA-N 333.844 4.692 0 40 EJAB O=C(Nc1ccc(Cl)cc1)N[C@H]1CCSc2ccc(F)cc21 13003026 CJMJSRBZRPGSNF-AWEZNQCLSA-N 336.819 4.838 0 40 EJAB Fc1ccc(NC(=S)Nc2ccc(C(F)(F)F)cc2)c(F)c1 13747953 ZCUBWQRMQZSIRL-UHFFFAOYSA-N 332.297 4.793 0 40 EJAB Cc1cccc(CSc2nnc([C@@H](C)Oc3ccccc3)n2C)c1 13849311 BXQJCIGIBBSVKT-OAHLLOKOSA-N 339.464 4.556 0 40 EJAB Cc1cnc(NC(=O)c2ccc(Oc3ccc(F)cc3)cc2)s1 14673876 LVPBVQYZBRYGPA-UHFFFAOYSA-N 328.368 4.635 0 40 EJAB COc1ccc(-c2ccc(CCC(=O)Nc3ccc(F)cc3)o2)cc1 15867358 KGDZOIGUGIZODM-UHFFFAOYSA-N 339.366 4.666 0 40 EJAB Cc1c(C(=O)Nc2ccccc2Cl)oc2c1C(=O)CC(C)(C)C2 16740284 PHIFXQUBKVXYNT-UHFFFAOYSA-N 331.799 4.649 0 40 EJAB CC1CCN(Cc2ccc(C(=O)N3CCCc4ccccc43)cc2)CC1 22517566 QKGCAGRYSNJDRB-UHFFFAOYSA-N 348.490 4.512 0 40 EJAB CC1CCN(c2nnc(S[C@@H](C)c3ccccc3)n2C2CC2)CC1 24828946 LYQOMXUBHYSOIY-HNNXBMFYSA-N 342.512 4.703 0 40 EJAB c1ccc(-c2cnc(CSc3nccn3-c3ccccc3)o2)cc1 27487282 QWBPTJAMKRRNDX-UHFFFAOYSA-N 333.416 4.820 0 40 EJAB CCCCN(C)c1nc(-c2ccc(CC)cc2)cc(C(F)(F)F)n1 36618558 QGASFZGOGYGIQM-UHFFFAOYSA-N 337.389 4.961 0 40 EJAB O=C(Cc1cccc2ccccc12)Nc1cc(F)cc(N2CCCC2)c1 65476516 HJZQRKIXPJCNKN-UHFFFAOYSA-N 348.421 4.760 0 40 EJAB Cc1ccc(Cc2cccc([C@@H]3CCCN3C(=O)C3CCCC3)n2)cc1 72357998 DPEJFHNKRJXLMS-QFIPXVFZSA-N 348.490 4.835 0 40 EJAB CCOC(=O)c1ccc(-c2cc(C(F)(F)F)cc(Cl)n2)cc1 91695421 TWAOGTTUJNKXCN-UHFFFAOYSA-N 329.705 4.598 0 40 EJAB Cc1ccc(NC(=O)/C=C/c2ccccc2)c(C(=O)c2ccccc2)c1 109273986 AJUDGEAMZZACBQ-FYWRMAATSA-N 341.410 4.878 0 40 EJAB COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(C)cc2C)cc1 223311159 ZZRYHXDKWOJQJV-FQEVSTJZSA-N 325.452 4.829 0 40 EJAB CCCC[C@H](CC)CNC(=O)[C@@H](C)Oc1cccc2ccccc12 224287343 FNCDBQXUDCKGAT-SJORKVTESA-N 327.468 4.940 0 40 EJAB COc1ccc(CCC(=O)N[C@@H](C)CC(C)(C)c2ccccc2)cc1 225316956 VDRGGEVAIZAESN-KRWDZBQOSA-N 339.479 4.500 0 40 EJAB CCOc1cc(-c2nc3cc(C)ccc3n2C)ccc1OC(F)F 513868626 YRRCUYFJQBFBSO-UHFFFAOYSA-N 332.350 4.549 0 40 EJAB O=C1O[C@@H](Nc2cc(C(F)(F)F)ccc2Cl)c2ccccc21 100210 DUALRDFUFSFIMI-CYBMUJFWSA-N 327.689 4.640 0 40 EJAB Cc1ccc(-c2csc3nc(Cc4ccccc4)oc(=O)c23)cc1 501828 GZXAVXPFMGYSNZ-UHFFFAOYSA-N 333.412 4.816 0 40 EJAB CCCCCn1c([C@@H]2CC(=O)N(c3ccccc3)C2)nc2ccccc21 2666383 VIANCYOJQZIWAX-QGZVFWFLSA-N 347.462 4.747 0 40 EJAB O=C(Nc1ccccc1C(F)(F)F)c1cc(S)nc2ccccc12 3226852 ULKAJGWDCABEST-UHFFFAOYSA-N 348.349 4.795 0 40 EJAB C[C@@H](Oc1ccccc1-c1ccccc1)C(=O)N1CCc2ccccc21 3477405 HJYNHBVSFYFJES-QGZVFWFLSA-N 343.426 4.710 0 40 EJAB Cc1ccc(N2C(=O)S[C@H](Nc3ccc4ccccc4c3)C2=O)cc1 4459079 ITYHFUZTWQCCDD-SFHVURJKSA-N 348.427 4.786 0 40 EJAB O=c1[nH]c(/C=C/c2ccccc2Cl)nc2sc3c(c12)CCCC3 5531237 OIIURNCTDFKWPU-MDZDMXLPSA-N 342.851 4.687 0 40 EJAB C[C@@H](CCc1ccccc1)NC(=O)C(C)(C)Oc1ccc(Cl)cc1 6175384 KETSBDSANNTQKD-HNNXBMFYSA-N 345.870 4.635 0 40 EJAB O=C(Nc1ccc(C(F)(F)F)cc1)c1ccccc1C(F)(F)F 6392923 DXQJOGUCDZIHGR-UHFFFAOYSA-N 333.231 4.977 0 40 EJAB Cc1occc1C(=S)Nc1ccc(Cl)c(C(=O)OCC2CC2)c1 6483673 JFOJNMXPPYADJW-UHFFFAOYSA-N 349.839 4.596 0 40 EJAB O=C(Nc1ccc2ccccc2c1)c1cc(=O)c2cc(Cl)ccc2o1 7940862 SRBNNXQFWFKFFS-UHFFFAOYSA-N 349.773 4.852 0 40 EJAB O=C(Nc1ccc(Sc2nc3ccccc3[nH]2)cc1)C1CCCC1 8216844 UGBCCYHBNNTNEX-UHFFFAOYSA-N 337.448 4.843 0 40 EJAB Cc1ccc(NCc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)cc1 8715530 YCKLQELPARWEGH-UHFFFAOYSA-N 347.443 4.572 0 40 EJAB Cc1onc(-c2ccccc2)c1-c1nnc(CSc2ccccc2)o1 8726927 NHHRIHSLRUYQTL-UHFFFAOYSA-N 349.415 4.992 0 40 EJAB COc1ccc(CNC(=O)c2cc(C)n(C3CCCCC3)c2C)cc1 9058048 NUZGMYUEWHMGQJ-UHFFFAOYSA-N 340.467 4.549 0 40 EJAB Cc1cccc(C(=O)NCc2ccc(-c3nc4ccccc4o3)cc2)c1 9141117 GUAPWLIIAAJYFG-UHFFFAOYSA-N 342.398 4.733 0 40 EJAB Cc1ccc(-c2cc(=O)c3cc(NC(=O)c4ccco4)ccc3o2)cc1 9659966 LFNLOTXLITUYTE-UHFFFAOYSA-N 345.354 4.614 0 40 EJAB biogenic Cc1ccc2cccc(NC(=O)C3(c4ccccc4)CCCC3)c2n1 10372842 JFNVTFWNQHMUGK-UHFFFAOYSA-N 330.431 4.994 0 40 EJAB Cc1ccc(C)c(S[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)c1 12475435 KPQWXEVLDAZYTO-GOSISDBHSA-N 329.440 4.555 0 40 EJAB O=C(Nc1ccccc1Oc1ccccc1)c1ccc2[nH]cnc2c1 12547884 HYNFJAAYTKNXGL-UHFFFAOYSA-N 329.359 4.608 0 40 EJAB O=C(Nc1ccc(F)cc1Cl)c1csc(-c2cccs2)n1 12895743 RPENHSDAQOMFHI-UHFFFAOYSA-N 338.816 4.916 0 40 EJAB CCn1c(SCc2ccc(F)cc2)nnc1-c1cccc(C)c1 14082025 DPBPRDOAMWMQTH-UHFFFAOYSA-N 327.428 4.705 0 40 EJAB Cc1ccc2c(Cl)c(C(=O)NCc3csc(C)n3)sc2c1 15832302 KHTITMDVEZUZPI-UHFFFAOYSA-N 336.869 4.558 0 40 EJAB C[C@@H](CN(C)Cc1c([C@@H]2CCCO2)[nH]c2ncccc12)c1ccccc1 19455973 ISYWFVNUMGRPOM-JXFKEZNVSA-N 349.478 4.650 0 40 EJAB CC[C@@H](NC(=O)[C@H](C)Oc1cc(C)cc(C)c1C)c1ccccc1 20044056 LIDKKVAUYFCNTR-PKOBYXMFSA-N 325.452 4.647 0 40 EJAB COc1ccc(N[C@H](C)C(=O)Nc2ccccc2C(C)C)cc1Cl 28875736 IRWVEBJVMYHPPD-CYBMUJFWSA-N 346.858 4.911 0 40 EJAB FC(F)(F)c1nc2ccccc2n1Cc1cc(-c2cccs2)on1 29301657 LDVDDKHGNJAUAE-UHFFFAOYSA-N 349.337 4.820 0 40 EJAB O=C(Nc1ccccc1F)c1cc(-c2cccnc2)nc2ccccc12 32090764 OLNJVERJNWEVBX-UHFFFAOYSA-N 343.361 4.688 0 40 EJAB CCOc1ccccc1C(=O)N1CC[C@@H](C)Sc2ccccc21 36393155 HXCXYHBXZBUPPC-CQSZACIVSA-N 327.449 4.616 0 40 EJAB Cc1cccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)CC(C)(C)O3)c1C 37133312 CMDCXOXPPPTUMV-WQRHYEAKSA-N 346.430 4.563 0 40 EJAB COc1ccc(NC(=O)C(C)(C)Oc2ccc(C(C)(C)C)cc2)cc1 57313651 POCQZCXEFCATII-UHFFFAOYSA-N 341.451 4.789 0 40 EJAB CCn1nc(C)c(CN[C@@H](c2ccccc2)C2CCCCC2)c1C 95462801 BWSAAMQILRHRTR-NRFANRHFSA-N 325.500 4.931 0 40 EJAB c1ccc([C@H]2C[C@@]34OCCN3[C@@]3(CCCC[C@H]23)Oc2ccccc24)cc1 100742405 KMZWVRIIHGSMOD-VKGYTVAMSA-N 347.458 4.638 0 40 EJAB biogenic C[C@@H](c1cccs1)[S@](=O)[C@H](C)c1ncc(-c2ccccc2)o1 107520610 AUXMYXXGRAOIBV-UAGWRWDDSA-N 331.462 4.974 0 40 EJAB CCOC(=O)/C=C/c1ccc(OCc2cccc(F)c2)c(Cl)c1 216889317 CITBUOKVEJRBCH-VQHVLOKHSA-N 334.774 4.634 0 40 EJAB O=C(/C=C/c1ccc(F)cc1)Nc1ccccc1C(=O)c1ccccc1 217911525 ZAMNPYZYDNZKAG-NTCAYCPXSA-N 345.373 4.709 0 40 EJAB O=S(=O)(Nc1ccc2c(c1)oc1ccccc12)c1ccc(F)cc1 223979418 HQWHFYZEGQEKSB-UHFFFAOYSA-N 341.363 4.526 0 40 EJAB CCCc1ccc(C(=O)NCc2cccnc2-c2cccs2)cc1 225759257 VCABOSSDDDTXFA-UHFFFAOYSA-N 336.460 4.693 0 40 EJAB Cc1cccc2c1CC[C@@H]2NC(=O)N1CCCCC[C@@H]1c1ccncc1 591627985 LZOSQDNQOPAYNM-LEWJYISDSA-N 349.478 4.704 0 40 EJAB O=S1(=Nc2ccc(NCc3cscc3Cl)cc2)CCCC1 641763756 HIRYIAFUFBSYEW-UHFFFAOYSA-N 340.901 4.907 0 40 EJAB C[C@@H](CN1[C@@H](C)CCC[C@H]1C)OC(=O)c1ccc(C(C)(C)C)cc1 210659 WNBGEAYOJFECOY-BBWFWOEESA-N 331.500 4.792 0 40 EJAB Cc1cccc(C(=O)Nc2cccc(NC(=O)c3cccc(C)c3)c2)c1 226146 GONFYUVPWPOVIQ-UHFFFAOYSA-N 344.414 4.808 0 40 EJAB CCCCn1nc(NC(=O)c2ccco2)c2cc3cccc(C)c3nc21 2401556 QTQUBQIIJOMBBR-UHFFFAOYSA-N 348.406 4.538 0 40 EJAB Cc1cc(NC(=O)c2cc(-c3cccs3)nc3ccccc23)no1 2503066 AKHNAWIZUFRCGH-UHFFFAOYSA-N 335.388 4.512 0 40 EJAB aggregator CCCOc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1OC 3548975 YQBQLGSQYQYGNY-UHFFFAOYSA-N 333.815 4.698 0 40 EJAB CC(=O)Nc1ccccc1SCc1ccc(Br)cc1 6296191 SUDAZJDFPGOZNX-UHFFFAOYSA-N 336.254 4.700 0 40 EJAB O=C(Nc1nc(-c2cccnc2)cs1)c1ccc2ccccc2c1 6423395 OUUCCXQYFRWQME-UHFFFAOYSA-N 331.400 4.611 0 40 EJAB CCOc1ccc(-c2nc(NC(=O)C3CCCC3)sc2C)cc1 6832395 PRCJPBBLGFQWLW-UHFFFAOYSA-N 330.453 4.646 0 40 EJAB COc1cccc(-c2ccc(SCc3cccc(F)c3)nn2)c1 10453417 ITVHVDODNYNYQG-UHFFFAOYSA-N 326.396 4.584 0 40 EJAB Cc1ccc([C@H](C)NC(=O)CSCc2ccc(Cl)cc2)cc1 20104132 DRWMMVPRPFMATH-AWEZNQCLSA-N 333.884 4.759 0 40 EJAB Cc1noc2nc(C3CC3)cc(C(=O)Nc3cccc(C(C)C)c3)c12 26746924 RIEOTDYCDHSKOX-UHFFFAOYSA-N 335.407 4.784 0 40 EJAB CCc1oc2ccccc2c1/C=C/C(=O)N1CCC[C@@H]1c1ccncc1 27277415 CJCJSVASBNAVDA-JBVUFVISSA-N 346.430 4.767 0 40 EJAB COc1cccc(CCCc2ccc(Cl)c(Cl)c2)c1C(=O)O 35973508 YOQJWIFSDDHBTL-UHFFFAOYSA-N 339.218 4.876 0 40 EJAB CCCC[C@@H](CC)CN1C(=O)c2[nH]nc(C)c2[C@H]1c1ccccc1F 36617826 HDMLENWBXXIRFQ-AUUYWEPGSA-N 343.446 4.619 0 40 EJAB CCOc1ccc(CCC(=O)NC2CCCCCCC2)cc1OCC 44900682 GEKNEOXCDLKZSJ-UHFFFAOYSA-N 347.499 4.646 0 40 EJAB Cc1ccccc1-c1noc(-c2cc(-c3ccc(Cl)cc3)n[nH]2)n1 46913945 ZUUPUAMTAHGXFQ-UHFFFAOYSA-N 336.782 4.756 0 40 EJAB Cc1cc([C@H]2CCCN2Cc2coc(-c3cccc(Cl)c3)n2)on1 48264563 YAKJHVAORAYFMD-MRXNPFEDSA-N 343.814 4.629 0 40 EJAB FC(F)(F)c1ccccc1[C@H]1NCc2ccccc2-n2cccc21 55028101 XQKNXKHZYXBGMR-GOSISDBHSA-N 328.337 4.689 0 40 EJAB C[C@@H]1CCCN(C(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)CC1 58424894 RDOAIXXEZYHQCH-CQSZACIVSA-N 346.858 4.576 0 40 EJAB COc1c(Cl)cccc1NC(=O)c1cc2ccc(C)cc2nc1C 65863736 OPBPFIFRUCAGSW-UHFFFAOYSA-N 340.810 4.766 0 40 EJAB CCCCN(C(=O)OC(C)(C)C)c1ncccc1C1=NCCCC1 72215049 VAFONBOPKSIZCP-UHFFFAOYSA-N 331.460 4.596 0 40 EJAB C[C@H](N[C@H]1CCCOc2c1ccc1ccccc21)c1nc(C2CC2)no1 95409403 CXGLIZXCGFGMOC-UGSOOPFHSA-N 349.434 4.665 0 40 EJAB C[C@@H](N[C@H]1CCCOc2c1ccc1ccccc21)c1nc(C2CC2)no1 95409404 CXGLIZXCGFGMOC-ACJLOTCBSA-N 349.434 4.665 0 40 EJAB Fc1ccc(COc2ccc(Cl)cc2Br)cc1F 95915324 XBAILBGVBNBVMQ-UHFFFAOYSA-N 333.559 4.960 0 40 EJAB CC[C@H](NC(=O)[C@H](C)Oc1ccccc1C)c1ccc(C)c(C)c1 219289889 KQJCSMVEPIZWQI-HKUYNNGSSA-N 325.452 4.647 0 40 EJAB Cc1ccc2c(c1)[C@@H](NC(=O)c1cc3ccccc3o1)CC(C)(C)O2 219948412 GWWHXTZTHRHTKE-INIZCTEOSA-N 335.403 4.773 0 40 EJAB COc1ccc2cc(C(=O)Nc3cccc(Cl)c3C)c(C)nc2c1 247812882 AMGMXPJHAMOSJJ-UHFFFAOYSA-N 340.810 4.766 0 40 EJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NC12CC3CC(CC(C3)C1)C2 408681276 RGDGRHYVMLYTJP-ITOSSNOYSA-N 347.886 4.582 0 40 EJAB COc1ccc2oc(=O)c(-c3csc(-c4ccccc4)n3)cc2c1 174986 VQCUKZRPXAZGDX-UHFFFAOYSA-N 335.384 4.592 0 40 EJAB Cc1cc2oc(C(=O)Nc3nnc(C(C)C)s3)c(C)c2cc1C 353028 INUYADNBMVHHFB-UHFFFAOYSA-N 329.425 4.585 0 40 EJAB Fc1ccccc1CCNc1ncnc2c1[nH]c1ccc(Cl)cc12 546028 NAXMBXJGFHIMKA-UHFFFAOYSA-N 340.789 4.558 0 40 EJAB Cc1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)nc1 549736 RIIOGMBCPABRJH-UHFFFAOYSA-N 339.398 4.858 0 40 EJAB CCCc1cc(=O)oc2c3c(ccc12)OCN(c1ccc(C)c(C)c1)C3 2158430 YVKDZGJEGBEENF-UHFFFAOYSA-N 349.430 4.719 0 40 EJAB biogenic CC1(C)C[C@@H]2C[C@@](C)(CN2c2ncnc3c2[nH]c2ccc(F)cc23)C1 2310186 NCOAPQJQLYUNEA-ZUOKHONESA-N 338.430 4.655 0 40 EJAB CC(C)(C)C1CCC(OC(=O)c2cncc(Br)c2)CC1 3258157 AWXDIWRVWJJOPH-UHFFFAOYSA-N 340.261 4.606 0 40 EJAB CC1(C)C(=O)CC[C@@]2(C)C1=CC[C@H]1[C@@H]3CC[C@](C)(O)[C@@]3(C)CC[C@@H]12 4429092 WSGNVOUHNLZNHQ-OFUYBIASSA-N 330.512 4.905 0 40 EJAB biogenic,in-vitro CC[C@H](C)N1C(=O)c2ccc(C34CC5CC(CC(C5)C3)C4)cc2C1=O 4704030 PWDYQCQLJMPVRY-QRYOHXEKSA-N 337.463 4.549 0 40 EJAB CCCCOc1ccc(NC(=O)[C@]23CC[C@](C)(C(=O)C2)C3(C)C)cc1 4820686 FVHNJNYGINNMIT-RTWAWAEBSA-N 343.467 4.590 0 40 EJAB Oc1ccc(Nc2nc3ccccc3nc2Nc2ccc(O)cc2)cc1 5338661 NUFBJECQMAPTMN-UHFFFAOYSA-N 344.374 4.528 0 40 EJAB CCN(CC)c1ccc(NC(=O)COc2ccc3ccccc3c2)cc1 5393326 CQJUPNITJZFAQL-UHFFFAOYSA-N 348.446 4.704 0 40 EJAB Cc1ccc(-c2nnc(C)c3nn(-c4ccc(Cl)cc4)cc23)cc1 5794926 TVROJGWTPCQFPP-UHFFFAOYSA-N 334.810 4.753 0 40 EJAB CCc1ccc([C@H]2N=C(O)c3c(sc4c3CC[C@H](C)C4)N2)cc1 6359233 YRBOYBLPQXOTJM-GTNSWQLSSA-N 326.465 4.864 0 40 EJAB O[C@H](CNc1ncnc2sc(-c3ccccc3)cc12)c1ccccc1 7735249 QYBCERLWQCBYFT-QGZVFWFLSA-N 347.443 4.504 0 40 EJAB COc1cccc(CNC2CCCCC2)c1OCc1ccccc1F 8495637 VSOVHPVFHREEQP-UHFFFAOYSA-N 343.442 4.836 0 40 EJAB O=C(c1ccccc1Cl)N(Cc1ccco1)Cc1cccs1 9204266 CZEKZGUGEILMIO-UHFFFAOYSA-N 331.824 4.837 0 40 EJAB Cc1cccc(Nc2nc(C)c3c(n2)C[C@@H](c2ccccc2)CC3=O)c1 9935812 DQEQGMIMFSRBMF-QGZVFWFLSA-N 343.430 4.750 0 40 EJAB O=C(Nc1ccc2ncsc2c1)c1cc(Cl)sc1Cl 10217258 VOYRBIAQCYSTML-UHFFFAOYSA-N 329.233 4.917 0 40 EJAB COCCCn1c(-c2ccc(F)cc2)cs/c1=N\c1ccccc1 12615813 KKXZHLXQOSGIGA-VZCXRCSSSA-N 342.439 4.625 0 40 EJAB Cc1ccc(C)c(NC(=O)CCc2c(C)c3ccc(C)cc3oc2=O)c1 12781235 AJJFUSPACMEQGJ-UHFFFAOYSA-N 349.430 4.598 0 40 EJAB COc1ccc(-c2csc(-n3nccc3-c3ccccc3)n2)cc1 12952435 AAUFCJWIKWKNSI-UHFFFAOYSA-N 333.416 4.671 0 40 EJAB CCOc1ccccc1NC(=S)N[C@@H](CC)c1ccc(C)cc1 13931734 CTGADSRMSVNFDW-INIZCTEOSA-N 328.481 4.831 0 40 EJAB Cc1nc(-c2cccs2)sc1C(=O)N1c2ccccc2C[C@H]1C 17334775 MVYBSZNXPLLCNL-LLVKDONJSA-N 340.473 4.771 0 40 EJAB COc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)cc1F 18699992 OPIUQVKGNVVCKS-NRFANRHFSA-N 349.405 4.662 0 40 EJAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccccc1SC 20048241 MYCVIBUFAQLQGO-MRXNPFEDSA-N 329.465 4.821 0 40 EJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N[C@@H](C)c1cc(C)ccc1C 20111465 NEKYQXJZNLRBQD-GHTZIAJQSA-N 339.479 4.955 0 40 EJAB COc1ccc2cc([C@H](C)C(=O)N(C)Cc3ccsc3)ccc2c1 21935719 MMVOIFIKEKHYMT-AWEZNQCLSA-N 339.460 4.672 0 40 EJAB C[C@H](c1ccccc1)N(C)C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 26290826 JYKLNFIVQTVFHG-BPLDGKMQSA-N 328.378 4.510 0 40 EJAB C[C@@H](NC(=O)c1cccc(C(F)(F)F)c1)c1ccc(Cl)s1 32039106 QBDGIKQTAXVELN-MRVPVSSYSA-N 333.762 4.911 0 40 EJAB COc1ccccc1NC(=O)CCSCc1cc(C)cc(C)c1 32778752 QESAQEZMMZWWTL-UHFFFAOYSA-N 329.465 4.574 0 40 EJAB C[C@H](NC(=O)N(C)Cc1ccccc1)c1cccc(C(F)(F)F)c1 32863172 DXVGRJSAKALXIV-ZDUSSCGKSA-N 336.357 4.608 0 40 EJAB CC[C@@H](NC(=O)/C=C/c1csc(C)n1)C12CC3CC(CC(C3)C1)C2 32889155 GJIFNKSTJDXKMW-ULLWBOIDSA-N 344.524 4.576 0 40 EJAB CC(C)c1nc(CS(=O)(=O)Cc2cccc3ccccc23)cs1 46116541 BGSPYQKLVXPBIX-UHFFFAOYSA-N 345.489 4.535 0 40 EJAB CCc1nc(NC(=O)c2sc(-c3ccccc3)nc2C)sc1C 48333051 RLRVMHZWYQGXKY-UHFFFAOYSA-N 343.477 4.698 0 40 EJAB CN(Cc1cccc2ccccc12)C(=O)c1ccc(-c2cnco2)cc1 54725268 DODPJJPOEDNBQY-UHFFFAOYSA-N 342.398 4.767 0 40 EJAB CC(C)(C)CC(=O)N1CCCC[C@H]1c1ncc(-c2cccc(F)c2)[nH]1 68339465 GPOXEFVNYCAKOA-KRWDZBQOSA-N 343.446 4.706 0 40 EJAB CCc1ccc2oc(-c3ccc(I)cc3)nc2c1 73639075 FEZXJNGXTPGUCU-UHFFFAOYSA-N 349.171 4.662 0 40 EJAB CC(C)C(NC(=O)CSCc1c(F)cccc1Cl)C(C)C 78582546 JBGCRVQQUGOLMU-UHFFFAOYSA-N 331.884 4.509 0 40 EJAB CCO[P@@](C)(=O)[C@H](C(=O)O)c1csc2ccc(Cl)cc12 82048684 XQUUWINBTHXKLR-HXPMCKFVSA-N 332.745 4.625 0 40 EJAB C[C@@H](c1ccc2ccccc2c1)N(Cc1ncc(Cl)n1C)C1CC1 84651806 YJAWTYOLPAUZHM-AWEZNQCLSA-N 339.870 4.952 0 40 EJAB Cc1ccc(SCCC(=O)N[C@@H](C)c2cc(C)ccc2C)cc1 113932774 WEGYBJKQOOVXPB-KRWDZBQOSA-N 327.493 4.971 0 40 EJAB C[C@H](Sc1ccc(Cl)cc1)C(=O)NCCSC1CCCC1 224591888 NODTZXHEOXYFCI-LBPRGKRZSA-N 343.945 4.613 0 40 EJAB CO[C@]1(C(=O)Nc2cc(C)c(OC(C)C)c(C)c2)CCC[C@@H](C)C1 225638178 CKFLDMMGWYTOPS-JLTOFOAXSA-N 333.472 4.624 0 40 EJAB Cc1cc(N)cc2nc(-c3ccc(Br)cc3Cl)oc12 226248523 AUNTZOYTJDMDKV-UHFFFAOYSA-N 337.604 4.801 0 40 EJAB CC1CCN(C(=O)c2ccc(CSCc3ccccc3)cc2)CC1 408880146 DPQWAGJTGZZFTM-UHFFFAOYSA-N 339.504 4.992 0 40 EJAB O=C1S/C(=C/c2ccccc2Cl)C(=O)N1CC1CCCCC1 409137330 VRHAPXJIHQTTIT-XNTDXEJSSA-N 335.856 4.957 0 40 EJAB Cc1cc(C)n(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)n1 353335 CTTGYRSMTWAMOD-UHFFFAOYSA-N 326.403 4.613 0 40 EJAB Cc1ccc(Nc2ncnc3c2cnn3-c2ccccc2)cc1Cl 426396 WVLVIEMFTRETPW-UHFFFAOYSA-N 335.798 4.521 0 40 EJAB Clc1ccc(-c2noc(CSc3nc4ccccc4[nH]3)n2)cc1 1440013 KSUIMZKDJXBUOX-UHFFFAOYSA-N 342.811 4.559 0 40 EJAB O=C1N(Cc2ccccc2)C[C@@H]2CCc3c(ccc4ccccc34)N12 1703309 UDWATOXQUUJYOF-SFHVURJKSA-N 328.415 4.597 0 40 EJAB O=C(c1ccccc1CN1CC=CC1)c1cccc(Cl)c1Cl 2515910 YBTVWKMREPUAKT-UHFFFAOYSA-N 332.230 4.596 0 40 EJAB CC(C)CCNC(=O)c1oc2ccccc2c1COc1ccccc1 2619796 RWTMJNBEHXIDAY-UHFFFAOYSA-N 337.419 4.788 0 40 EJAB Cn1c(SCc2cccc3ccccc23)nnc1-c1ccccc1 3299658 ZSRQHOONOZMUKX-UHFFFAOYSA-N 331.444 4.928 0 40 EJAB COCc1c(C(=O)Nc2ccc(Cl)cc2F)oc2ccccc12 3407087 JGZLBKPRNGKCSE-UHFFFAOYSA-N 333.746 4.624 0 40 EJAB Cc1cc(C)c(-c2csc(NC(=O)c3c(C)noc3C)n2)c(C)c1 3533569 JGZVMHALSWKXGZ-UHFFFAOYSA-N 341.436 4.593 0 40 EJAB CCCCCC[n+]1ccccc1/C=C/c1ccc(OC)cc1OC 4118323 ZGMIOXXOSWXXMP-ACCUITESSA-N 326.460 4.742 0 40 EJAB Cc1ccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccc(F)cc2)cc1 4854357 BBKSECGSLOERMI-FQEVSTJZSA-N 349.409 4.573 0 40 EJAB Cc1ccc(OCC(=O)Nc2ccc3c(c2)oc2ccccc23)cc1 4866111 FBEPJKAQIADREF-UHFFFAOYSA-N 331.371 4.912 0 40 EJAB COc1ccc(OC)c(NC(=O)c2ccccc2Oc2ccccc2)c1 5670254 RCRPEWXOHKYUIC-UHFFFAOYSA-N 349.386 4.748 0 40 EJAB FC(F)(F)c1ccc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc1 6297159 PHKLHQMYCWQAJK-QPJQQBGISA-N 333.235 4.565 0 40 EJAB CCCN1C(=O)S/C(=C/c2ccc(-c3ccc(F)cc3)o2)C1=O 6657359 BLIHZXXYLRVESP-XNTDXEJSSA-N 331.368 4.532 0 40 EJAB COc1cccc(-c2noc(COc3cc(C)c(Cl)c(C)c3)n2)c1 6810052 OUYYAYIWTCRRRH-UHFFFAOYSA-N 344.798 4.594 0 40 EJAB O=C(c1ccccc1)N(Cc1ccccc1)c1nc2c(s1)CCCC2 6889801 KNLOVTFSQDGQEI-UHFFFAOYSA-N 348.471 4.869 0 40 EJAB Cc1ccc(NC(=O)c2ccc(C3SCCCS3)cc2)nc1 9313460 YIVZNAQDXPYWJY-UHFFFAOYSA-N 330.478 4.511 0 40 EJAB Cc1sc(-c2ccc(Cl)cc2)nc1C(=O)Oc1cccc(N)c1 12324938 RMQGVOFXFBXMDV-UHFFFAOYSA-N 344.823 4.573 0 40 EJAB CCn1c(S[C@H](C)C(=O)c2ccc(F)cc2)nc2ccccc21 12550875 QZFYOHUQEFKYMH-GFCCVEGCSA-N 328.412 4.559 0 40 EJAB CCCc1ccc(C(=O)COC(=O)c2ccc3ccccc3c2)cc1 12589354 OEOHDFLWBXYQKW-UHFFFAOYSA-N 332.399 4.832 0 40 EJAB C[C@H]1CC(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc2N1 15838250 NXWQQGJLYSJOLI-NSHDSACASA-N 335.234 4.731 0 40 EJAB CCc1cccc(C)c1NC(=O)CCCc1nc(-c2ccccc2)no1 16162252 SGKKMIPNWOHRDX-UHFFFAOYSA-N 349.434 4.569 0 40 EJAB Cc1nc2ccc(NC(=O)CCSc3ccccc3F)cc2s1 16180199 DGBINJVWTNRSDP-UHFFFAOYSA-N 346.452 4.865 0 40 EJAB Cc1noc(C)c1C(=O)Nc1cccc(-c2nc3ccccc3s2)c1 18890958 HMTFMERPPZRXHF-UHFFFAOYSA-N 349.415 4.820 0 40 EJAB CCOc1ccc([C@@H](C)NC(=O)/C=C/c2ccccc2Cl)cc1 20489001 CUCISTUYUNZIGA-JWAFFJSPSA-N 329.827 4.629 0 40 EJAB COc1ccc(Cl)cc1CC(=O)Nc1ccc(Cl)cc1Cl 29471231 QDMDLFJTWJGVLL-UHFFFAOYSA-N 344.625 4.837 0 40 EJAB Cc1nc(CSCCC(=O)N[C@@H](c2ccccc2)C(C)C)cs1 32613288 VILSFNLHHDDDMR-GOSISDBHSA-N 348.537 4.588 0 40 EJAB Cc1cc(-n2c(C)cc(C(=O)Nc3cccc4c3CCCC4)c2C)no1 32906550 SVGLDBWNKFTHCP-UHFFFAOYSA-N 349.434 4.522 0 40 EJAB FC(F)(F)c1cc(-c2cccs2)nc(NCc2ccccc2)n1 36612851 NJILDCFKGNMXGS-UHFFFAOYSA-N 335.354 4.836 0 40 EJAB CC(C)(C)c1ccc2cc(C(=O)N3CCC(n4cccc4)CC3)[nH]c2c1 60448720 RNUKESAYLFOKEW-UHFFFAOYSA-N 349.478 4.744 0 40 EJAB CC1=Nc2c(c(O)nn2C(C)C)[C@H](c2c(F)cccc2Cl)S1 71284455 YXIJKUSDFOMKQY-ZDUSSCGKSA-N 339.823 4.848 0 40 EJAB O=C(NCc1cc2ccccc2o1)N1CCC[C@H]1c1cccs1 79558670 MAEPDEKAFOGPDY-HNNXBMFYSA-N 326.421 4.541 0 40 EJAB Clc1cccc(Cl)c1[C@@H]1C=C(c2ccccc2)Nc2ncnn21 100679002 YZAILTKJPAHYBO-HNNXBMFYSA-N 343.217 4.641 0 40 EJAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4C[C@H](C)C(=O)[C@@]4(C)CC[C@@H]32)C1 118915064 KXXNUNSCEDGUDA-JRECUQAASA-N 346.511 4.776 0 40 EJAB CC(=O)[C@H]1[C@@H](C)C[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 118926360 CGMZETDGTMDEAD-TXELHRPGSA-N 332.528 4.841 0 40 EJAB CCc1ccc(C[C@H](Oc2ccc(C(C)(C)C)cc2)C(=O)O)cc1 225042883 BYUBLRBWASOKQL-IBGZPJMESA-N 326.436 4.621 0 40 EJAB COc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1Cl 225521950 KPBYTHONHOEHBR-UHFFFAOYSA-N 347.817 4.938 0 40 EJAB CCc1ccc([C@@H]2[C@@H](c3ccccn3)N=C3SC[C@H](CC)N32)cc1 260766423 JYHZLVZQXPJPDJ-QXAKKESOSA-N 337.492 4.623 0 40 EJAB Cc1nc2c(ccc3nc(NC(=O)c4cccs4)sc32)s1 190220 BPNKQVOVLARHPR-UHFFFAOYSA-N 331.447 4.528 0 40 EJAB CC[C@H]1C[C@@](C)(c2csc(Nc3ccccc3Cl)n2)OC1=O 330705 KLCFJWHXZMHIJJ-QFYYESIMSA-N 336.844 4.728 0 40 EJAB Cc1sc2ncnc(N3CCCCC3)c2c1-c1ccc(F)cc1 1016375 IXAOTQBBLCWQJY-UHFFFAOYSA-N 327.428 4.796 0 40 EJAB CC(=O)c1ccccc1NC(=O)C(C)(c1ccccc1)c1ccccc1 1724200 LYKOHFRKIJJXPO-UHFFFAOYSA-N 343.426 4.834 0 40 EJAB CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3CC[C@@H]2C1 2562713 FDCINQSOYQUNKB-YHKBIIBQSA-N 332.484 4.530 0 40 EJAB O=C(OCc1ccc(F)cc1)c1cc(-c2ccco2)nc2ccccc12 3283774 LZXGOUXMHVXYLC-UHFFFAOYSA-N 347.345 4.991 0 40 EJAB O=C(Cc1ccc(Cl)cc1)OCc1c(Cl)cccc1Cl 3313962 QIFZAYFYNJKIHS-UHFFFAOYSA-N 329.610 4.933 0 40 EJAB CC(C)c1ccc(NC(=S)N(C)Cc2ccc(Cl)nc2)cc1 6239268 ADSGPHCZEVBFNL-UHFFFAOYSA-N 333.888 4.687 0 40 EJAB CC(=O)CCc1ccc(OCC(=O)c2oc3ccccc3c2C)cc1 6941129 HSGMEVFYEOSRPK-UHFFFAOYSA-N 336.387 4.525 0 40 EJAB C[C@@H](Sc1ccc(F)c(F)c1)C(=O)Nc1ccc(Cl)cc1 7927560 UDTHRMPCOZGEGQ-SECBINFHSA-N 327.783 4.738 0 40 EJAB CN(Cc1ccc(Cl)s1)C(=O)Cc1cccc2ccccc12 7981612 NMDNQEXXYVUFSM-UHFFFAOYSA-N 329.852 4.756 0 40 EJAB c1ccc(-n2nc(SCc3nc4ccccc4o3)nc2C2CC2)cc1 8039423 FLONKTNSCVAWGA-UHFFFAOYSA-N 348.431 4.578 0 40 EJAB Cc1sc2ncnc(Sc3nnc(-c4cccs4)o3)c2c1C 8199604 ZMHBJWYTLDVSPV-UHFFFAOYSA-N 346.462 4.571 0 40 EJAB Fc1cc(Br)ccc1OCc1cc(-c2ccccc2)on1 8222265 AIOPAWWXZJEFBW-UHFFFAOYSA-N 348.171 4.822 0 40 EJAB CCOc1ccccc1CCCNC(=O)/C=C/c1ccc(Cl)cc1 10110860 DFQBMPRLDRYOJX-SDNWHVSQSA-N 343.854 4.501 0 40 EJAB CCc1ccc(NCC(=O)Nc2ccccc2Cc2ccccc2)cc1 12766463 FHSDGRIGGGFOJX-UHFFFAOYSA-N 344.458 4.890 0 40 EJAB O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cccnc1Cl 14257884 RNCWDRCPMDUNEC-UHFFFAOYSA-N 348.793 4.531 0 40 EJAB CC(C)Oc1ccc(NC(=O)c2ccc(N3CCCCC3)cc2)cc1 14401392 GVFRZUSHFIDGGU-UHFFFAOYSA-N 338.451 4.716 0 40 EJAB Cc1ccc([C@H]2CC(=O)c3cnc(Nc4ccc(F)cc4)nc3C2)cc1 17208684 GZFLAJVVQVKXJA-OAHLLOKOSA-N 347.393 4.580 0 40 EJAB COc1cc2ccccc2cc1C(=O)N[C@H](C)c1cc(C)ccc1C 19932581 UKYCSHGYYYQYML-MRXNPFEDSA-N 333.431 4.956 0 40 EJAB COc1cccc(CC(=O)N(Cc2ccccc2)c2cccc(C)c2)c1 32676084 OSDUQGIBUWOCRK-UHFFFAOYSA-N 345.442 4.780 0 40 EJAB CCC[C@H](C)NC(=O)Nc1ccc(Sc2nc(C)cs2)cc1 39564090 WRCWQGPDORCBDE-NSHDSACASA-N 335.498 4.913 0 40 EJAB COc1ccc([C@H]2CCCN2C(=O)CCC2CCCCC2)c(OC)c1 40009665 NPCIPMATLJCZIS-LJQANCHMSA-N 345.483 4.728 0 40 EJAB Cc1ccc(-c2cc(C(=O)Nc3ccc(C)cc3Cl)n[nH]2)cc1 44837801 LRLPUVLOOXJSDW-UHFFFAOYSA-N 325.799 4.599 0 40 EJAB CN(Cc1ccccc1)c1ccccc1NC(=O)NCc1ccccc1 57997045 AIHLWIYQVDDKDL-UHFFFAOYSA-N 345.446 4.645 0 40 EJAB C[C@H](CCc1ccc(O)c(F)c1)NCc1ccc(C(F)(F)F)cc1 58282694 GKDVIPKMORATAQ-GFCCVEGCSA-N 341.348 4.661 0 40 EJAB CCOc1cccc2cc([C@@H](C)N[C@H](C)c3cnc(C)nc3C)oc12 95967182 XYZVXJZMLQFPEP-TZMCWYRMSA-N 339.439 4.650 0 40 EJAB Cc1ccc(NC(=O)c2cc3c(c4ccccc4n3C(C)C)n2C)cn1 96037343 POPIINQDYGZBTM-UHFFFAOYSA-N 346.434 4.670 0 40 EJAB CCOC(=O)c1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1 216792375 XTDBNWOWLXEJIJ-UHFFFAOYSA-N 336.174 4.978 0 40 EJAB O=C(c1ccc(Cl)s1)N1CCS[C@@H](c2cccs2)CC1 219503960 KQKCYAPLKLUAFP-LLVKDONJSA-N 343.926 4.783 0 40 EJAB CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 223219171 RQSBEHNZEHYRNO-IIBYNOLFSA-N 337.463 4.519 0 40 EJAB Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2 223414019 PWICMWFUEQKJND-DLBZAZTESA-N 337.463 4.519 0 40 EJAB CC(C)(C)c1ccccc1OCCNC(=O)Nc1cccc(Cl)c1 223730601 MASUYVMWPCWEMZ-UHFFFAOYSA-N 346.858 4.838 0 40 EJAB CC[C@@H](NC(=O)CCc1ccc(OC)cc1)c1ccc(C)c(C)c1 225317825 KMMBOOFXIUCUGN-HXUWFJFHSA-N 325.452 4.512 0 40 EJAB CCCOC(=O)c1ccc(Nc2ccc(Cl)cc2Cl)c(N)c1 225427607 MYPIIYDIXGNHCE-UHFFFAOYSA-N 339.222 4.886 0 40 EJAB COc1cccc(NC(=S)NC2(c3cccs3)CCCC2)c1 225846905 UVODVXGMMAQIBZ-UHFFFAOYSA-N 332.494 4.513 0 40 EJAB Cc1ccc(NC(=S)NC2(c3ccco3)CCCC2)cc1Cl 225852809 LNZYJHFKTFJCFD-UHFFFAOYSA-N 334.872 4.997 0 40 EJAB CCOc1cc(/C=C2\C(=O)Nc3ccccc32)ccc1OCC(C)C 409120630 RHPRWEKZZXXZGB-BOPFTXTBSA-N 337.419 4.613 0 40 EJAB O=C(Nc1cccc(Br)c1)c1cccc2ccccc12 35977 VHRQUMWUSBWASG-UHFFFAOYSA-N 326.193 4.855 0 40 EJAB Cc1nc(-c2ccccc2)ncc1C(=O)Nc1cccc2ccccc12 516096 OFTZZIQPRCCXBI-UHFFFAOYSA-N 339.398 4.858 0 40 EJAB Nc1c(Br)cc(-c2ccc(F)cc2)cc1Br 1714606 XXNWINPKDBFBND-UHFFFAOYSA-N 345.009 4.600 0 40 EJAB COc1ccccc1[C@@H](CCNCc1cccs1)c1ccco1 2103152 MZNUAYVWLQJNOQ-QGZVFWFLSA-N 327.449 4.662 0 40 EJAB biogenic CCOC(=O)N[C@@H](c1ccc(C(C)C)cc1)C(Cl)(Cl)Cl 3220800 SAKQJXCZZBGWHS-LBPRGKRZSA-N 338.662 4.967 0 40 EJAB Cc1ccc(CN(C)CC(=O)Nc2c(C(C)C)cccc2C(C)C)o1 3491515 AAIDSPKRZMTPFR-UHFFFAOYSA-N 342.483 4.905 0 40 EJAB O=C(Nc1nc2ccc3ccccc3c2s1)c1c(F)cccc1F 4071282 LQVVFOGICZXLMG-UHFFFAOYSA-N 340.354 4.980 0 40 EJAB COc1cc(SC)ccc1C(=O)Nc1cc(Cl)cc(Cl)c1 4592768 XQHDNEIQXXBPQW-UHFFFAOYSA-N 342.247 4.976 0 40 EJAB CCOc1ccc(C(=O)Nc2ccc(N3CCCC[C@H]3C)cc2)cc1 9064466 YIATYKQHCFOPHG-MRXNPFEDSA-N 338.451 4.716 0 40 EJAB CCOc1ccc(NC2=NN=C(c3ccc(CC)s3)CS2)cc1 11119296 ZNRUVQSZVDPDJN-UHFFFAOYSA-N 345.493 4.628 0 40 EJAB Cc1ccc(N(Cc2ccco2)C(=O)Cc2c[nH]c3ccccc23)cc1 12803031 IHUUFPONMGMAMA-UHFFFAOYSA-N 344.414 4.845 0 40 EJAB CC[C@@H](C)NC(=O)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 12901620 YASPFRYMLKAELU-CYBMUJFWSA-N 338.382 4.676 0 40 EJAB C(=C1\CCCC2=C1Nc1ncnn1[C@H]2c1ccccc1)\c1ccccc1 13122966 SAYZCJZXFRGCCR-TVADFSRQSA-N 340.430 4.815 0 40 EJAB CC[C@H](C)c1ccccc1NC(=O)CN(C)Cc1ccccc1Cl 14247884 ZWORIVPMEZERPI-HNNXBMFYSA-N 344.886 4.924 0 40 EJAB C[C@@H](NC(=O)c1c(F)cccc1F)c1ccc(Cl)c(Cl)c1 14424926 KBGSXUZEXBBORB-MRVPVSSYSA-N 330.161 4.763 0 40 EJAB COc1ccc([C@@H]2CC(=O)c3c(-c4ccccc4)c[nH]c3C2)cc1OC 18197854 DAEMEIRIVJIXLG-INIZCTEOSA-N 347.414 4.612 0 40 EJAB Cc1ccccc1CCNC(=O)CSc1ccc2ccccc2c1 19012142 PFBWKCPVWYACNB-UHFFFAOYSA-N 335.472 4.599 0 40 EJAB Cc1cccc(Cn2nc(C)c(NC(=O)Nc3ccccc3C)c2C)c1 20540346 ZVQWGHPHCADMJZ-UHFFFAOYSA-N 348.450 4.809 0 40 EJAB O=C(Nc1ccccc1O)c1cc(-c2ccccc2)nc2ccccc12 22024229 CRWYQDDIYHZNMW-UHFFFAOYSA-N 340.382 4.860 0 40 EJAB C[C@H](NCc1ccc2ccccc2c1)c1ccc(-n2ccnc2)cc1 25356474 FRQXWFNAGWOMDB-KRWDZBQOSA-N 327.431 4.876 0 40 EJAB C[C@@H](Sc1ncnc2ccsc12)C(=O)c1ccc2c(c1)CCC2 26959879 SIYIYJIHEPALHJ-LLVKDONJSA-N 340.473 4.544 0 40 EJAB C[C@H](N[C@H](C)c1ccc2ccccc2c1)C(=O)Nc1ccc(F)cc1 28352285 UQZJTEIEXIRSBI-CABCVRRESA-N 336.410 4.657 0 40 EJAB FC(F)Oc1ccc(CNc2ncnc3c2oc2ccccc23)cc1 32534109 GXDJPNWJDSZFTN-UHFFFAOYSA-N 341.317 4.590 0 40 EJAB Cc1ccc(-c2noc3nc(C)cc(C(=O)N4CCCC[C@@H]4C)c23)cc1 36618378 OXWYFWCODHDWJI-HNNXBMFYSA-N 349.434 4.521 0 40 EJAB Cc1nnc(NC(=O)c2cc3sc4ccccc4c3s2)s1 37117604 LTSFQMXQORRJLZ-UHFFFAOYSA-N 331.447 4.528 0 40 EJAB Cc1ncc(CN(C)C(=O)Nc2ccc(-c3ccccc3)cc2)s1 58280439 ZSSAMEGSDSSZSO-UHFFFAOYSA-N 337.448 4.782 0 40 EJAB Cc1ccc(NC(=O)c2ccc(C)c(Cl)c2)c(Br)c1 63021772 JSKVJZMQSNQMBI-UHFFFAOYSA-N 338.632 4.972 0 40 EJAB C[C@H](c1ccccc1F)[S@@](=O)Cc1csc(C2CCCC2)n1 84660687 WYDJNWIHZFAWMA-VERVWZFWSA-N 337.485 4.950 0 40 EJAB CC(C)N(CC[C@@H](c1ccccc1)c1cc(C=O)ccc1O)C(C)C 87493272 DHTHWYZNJZNTIT-FQEVSTJZSA-N 339.479 4.846 0 40 EJAB CC[C@@H](CSC(F)(F)F)NCc1ccc(Br)cc1 95918384 LKGZCTIIEVYGIE-NSHDSACASA-N 342.224 4.570 0 40 EJAB CCC[C@H](C)N(C)C(=O)Nc1cc(C(F)(F)F)ccc1OCC 97160073 MQDJUEUXLKLWLN-NSHDSACASA-N 332.366 4.756 0 40 EJAB O=C(Nc1cccc(Br)c1)c1cccc2c1CCCC2 98073012 LSHTUTWOUYFAOW-UHFFFAOYSA-N 330.225 4.580 0 40 EJAB CCCOc1ccccc1CCCNC(=O)c1cc2ccccc2o1 219947724 OWYJALLFDCTHAG-UHFFFAOYSA-N 337.419 4.584 0 40 EJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3c[nH]c4ccccc34)N21 222669558 FCBSMHWFVVWWEC-UPRAQXHNSA-N 348.475 4.542 0 40 EJAB CNCCCNc1ccnc2c(Oc3ccccc3)ccc(Cl)c12 222683840 PXKGQZIARQNMHM-UHFFFAOYSA-N 341.842 4.702 0 40 EJAB Cc1cc(C)c([C@@H](C)NC(=O)c2ccccc2OC(C)C)cc1C 223475216 TXKHKJGMAJWPEI-QGZVFWFLSA-N 325.452 4.890 0 40 EJAB Cc1ccc(NC(=S)N[C@@H](C)COc2ccc(C)c(C)c2)cc1C 225788935 UFDNDRGNYUSURS-KRWDZBQOSA-N 342.508 4.674 0 40 EJAB Cc1cccc(NC(=O)Nc2cc(C(=O)O)c(Cl)cc2Cl)c1 226321648 MFANUQFLOQSUQD-UHFFFAOYSA-N 339.178 4.644 0 40 EJAB O=C(NC1CCC(F)(F)CC1)c1ccc(Oc2ccccc2)cc1 535629521 CQSGFQVJLZHODD-UHFFFAOYSA-N 331.362 4.787 0 40 EJAB O=C(NC[C@@H](c1ccco1)c1cccs1)c1c(F)cccc1Cl 585146819 UDFBRUBYDGDHLO-NSHDSACASA-N 349.814 4.696 0 40 EJAB O=C(NC[C@@H](c1ccsc1)c1ccco1)c1cc2ccccc2o1 618257337 VXPRBCPWFUXZAC-HNNXBMFYSA-N 337.400 4.649 0 40 EJAB N[C@@H](c1ccc(-c2ccc(C(F)(F)F)cc2CO)cc1)C1CCC1 629741927 ICBNOONLZSNYGL-GOSISDBHSA-N 335.369 4.665 0 40 EJAB O=C(Oc1ccc2ccc(O)cc2c1)c1ccc(Br)cc1 365152 JKZOZBPSMMSVDV-UHFFFAOYSA-N 343.176 4.527 0 40 EJAB Cc1csc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)n1 3336540 QFQBMUNOLUSFJN-UHFFFAOYSA-N 347.292 4.630 0 40 EJAB O=C(O)c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@@H]1[C@H](c1ccccc1F)N2 4151499 YEKIJPBPCQBBIK-IJOGARHTSA-N 337.394 4.820 0 40 EJAB O=C(/C=C\c1ccccc1)OCC(=O)c1ccc(-c2ccccc2)cc1 4726725 WYMPRWNURRNCFT-WJDWOHSUSA-N 342.394 4.793 0 40 EJAB C[C@](O)(c1ccccc1)[C@@H]1[C@H](c2ccccc2)N1Cc1ccccc1 4742971 XROUXDULVYPFKP-UYRQCKRZSA-N 329.443 4.520 0 40 EJAB Cc1ccc(CC(=O)Nc2nc(-c3cccs3)cs2)c(C)c1 5267972 MJGRCRUYJKNUFA-UHFFFAOYSA-N 328.462 4.670 0 40 EJAB CC(=O)[C@@H](c1ccccc1)[C@H](CC(=O)OC(C)(C)C)c1ccccc1 5379068 LLZKELCVXJGQDL-CTNGQTDRSA-N 338.447 4.875 0 40 EJAB O=C(Cc1ccccc1)Nc1cccc(Cl)c1N1CCCCC1 6257880 ABRAWLSLBOHSOO-UHFFFAOYSA-N 328.843 4.512 0 40 EJAB Cc1ccc(Cl)cc1NC(=O)c1sc(-c2ccccn2)nc1C 7807926 LAZZNCMNRWTTAN-UHFFFAOYSA-N 343.839 4.728 0 40 EJAB O=C(c1cc(C2CC2)nc2ccccc12)N1CC[C@H]2CCCC[C@H]2C1 8095391 DPSAIWDJHIMADS-WBVHZDCISA-N 334.463 4.765 0 40 EJAB COc1ccc([C@H]2CCCCCN2C(=O)NCc2ccccc2)cc1 8944044 KQYQLWNCVHTEMH-HXUWFJFHSA-N 338.451 4.522 0 40 EJAB Cc1cc(C)c(C)c(SCC(=O)Nc2cccnc2Cl)c1C 10560440 CHARXHWYJHPDQL-UHFFFAOYSA-N 334.872 4.699 0 40 EJAB O=C(CCc1cccs1)NCc1ccc(-c2ccc(Cl)cc2)o1 10810995 WZYXAHJVKZBMGH-UHFFFAOYSA-N 345.851 4.911 0 40 EJAB O=C1C[C@@H](c2cccc(OCc3ccccc3)c2)c2sccc2N1 12376558 XJQZOYYOGIKBEM-KRWDZBQOSA-N 335.428 4.801 0 40 EJAB Cc1nc(-c2nc(NC(C)C)ncc2-c2ccsc2)sc1C 12751387 OCZBHQUZFCSMOC-UHFFFAOYSA-N 330.482 4.766 0 40 EJAB COc1ccc(NC(=O)c2nc(-c3ccco3)sc2C)cc1Cl 13003142 PLAMPKBKJYJTLT-UHFFFAOYSA-N 348.811 4.626 0 40 EJAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NC12CC3CC(CC(C3)C1)C2 13708658 YDQAKJKKMWBQAV-LRYXAPPNSA-N 349.474 4.692 0 40 EJAB O=C(Nc1cccc(-c2nc(-c3ccc(F)cc3)cs2)c1)C1CC1 14234470 ZDKQTHCCZBZHNZ-UHFFFAOYSA-N 338.407 4.965 0 40 EJAB CCCCC(=O)Nc1ccc(O)c(-c2nc3ccccc3s2)c1 20158366 YREZXOIPEDCWAX-UHFFFAOYSA-N 326.421 4.798 0 40 EJAB CC(C)c1ccc([C@@H]2CC(=O)c3cnn(-c4ccccc4)c3C2)cc1 20632659 WGVAOTYRJZVZKV-SFHVURJKSA-N 330.431 4.908 0 40 EJAB O=C(CSc1ccccc1)Nc1ccc(N2CCCCC2)c(F)c1 21577931 STPZJSPQYLMKCV-UHFFFAOYSA-N 344.455 4.547 0 40 EJAB O=C(c1ccc(-c2ccc(Cl)cc2)o1)N1CCOc2ccccc21 24585985 DELIUXYURRPIEO-UHFFFAOYSA-N 339.778 4.639 0 40 EJAB CN(CCC(=O)Nc1ccccc1Cl)[C@@H]1CCCc2ccccc21 26927720 KXCSIKKGHVBVSG-LJQANCHMSA-N 342.870 4.678 0 40 EJAB CCCCCn1c(S)nnc1COc1ccc(C(C)(C)C)cc1 28295962 KKRVSWHNEOSUMM-UHFFFAOYSA-N 333.501 4.634 0 40 EJAB CC(=O)c1ccc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)s1 32768314 SBBLABXUZLDWPM-UHFFFAOYSA-N 333.412 4.774 0 40 EJAB Cc1cccc(-c2noc(-c3cccc(NC(=O)C(C)(C)C)c3)n2)c1 33012734 OWNXHWBAIVELTJ-UHFFFAOYSA-N 335.407 4.697 0 40 EJAB COc1ccc(S[C@H](C)C(=O)N[C@@H](C)c2ccc(C)cc2C)cc1 38772695 IGZZPOVLEGUAKL-JKSUJKDBSA-N 343.492 4.670 0 40 EJAB CCc1ccc(NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 40913177 ZNLQFKMUVMEHGB-AWEZNQCLSA-N 331.843 4.925 0 40 EJAB Cc1ccc(-c2noc(-c3cc(-c4ccc(Cl)cc4)n[nH]3)n2)cc1 46913958 PHADRMKSMHQNJO-UHFFFAOYSA-N 336.782 4.756 0 40 EJAB CC[C@@H](Oc1ccc(C)cc1)C(=O)N[C@H](C)c1ccc(C)c(C)c1 59351302 WKFXRRSRCZPGOP-YLJYHZDGSA-N 325.452 4.647 0 40 EJAB CC(C)C[C@@H]1CC(=O)Nc2c1sc(C(=O)O)c2-c1ccccc1 61719144 WMVMNSNBKZSDLC-GFCCVEGCSA-N 329.421 4.585 0 40 EJAB CC(=O)Nc1cc(NC(=O)N(CC2CC2)C2CCCCC2)ccc1C 65490377 TVVAGLGBGRRQNL-UHFFFAOYSA-N 343.471 4.530 0 40 EJAB CCCCCNC(=O)c1cn(-c2ccc(C)cc2)nc1-c1ccccc1 65607176 PGGXSMIUZLROIG-UHFFFAOYSA-N 347.462 4.768 0 40 EJAB O=C1CCCc2cc(NC(=O)c3cccc(Cl)c3Cl)ccc2N1 70007403 OLQNWYIQYMIUDD-UHFFFAOYSA-N 349.217 4.521 0 40 EJAB COc1ccc([C@@H]2CCCCN2C(=O)OCc2ccccc2)cc1 72221523 NJOXHSPJJRIOQU-IBGZPJMESA-N 325.408 4.559 0 40 EJAB C[C@@H](N[C@H](C)c1c(F)cccc1F)c1cccc(N2CCCC2)c1 95964885 JCDNLUAWUKKVEU-HUUCEWRRSA-N 330.422 4.977 0 40 EJAB O=C1Nc2ccccc2S/C1=C/Nc1cccc(C(F)(F)F)c1 100408060 YTIISDUFBCMNIO-NTEUORMPSA-N 336.338 4.703 0 40 EJAB Cc1ccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1 218970823 LTTUCFDRSPIMOO-IRXDYDNUSA-N 339.479 4.937 0 40 EJAB CCCOc1ccc(C(=O)N[C@H](CC)c2ccc(OC)c(C)c2)cc1 224526690 DMODUDNVXKZYTG-LJQANCHMSA-N 341.451 4.674 0 40 EJAB CCOc1ccc(C(=O)N(CC)CC)cc1CSc1ccccc1 224654595 JYIIYKWVVGDXKN-UHFFFAOYSA-N 343.492 4.860 0 40 EJAB COc1ccccc1[C@H](C)NC(=O)CCc1ccc(C(C)C)cc1 224772079 HJPKVLJZWKROFK-INIZCTEOSA-N 325.452 4.629 0 40 EJAB O=C(O)[C@@H](Cc1ccc(Cl)cc1Cl)Oc1ccc(Cl)cc1 225085205 WAOJCBDNRAKMDP-CQSZACIVSA-N 345.609 4.722 0 40 EJAB CC(C)(Cc1ccccc1)NC(=O)CSCc1ccccc1Cl 225145709 NAOLZEMVLOQTDN-UHFFFAOYSA-N 347.911 4.711 0 40 EJAB CCOc1ccc(NC(=O)CCc2c(Cl)cccc2Cl)cc1 225344737 SFQIXDRNMUMESN-UHFFFAOYSA-N 338.234 4.963 0 40 EJAB CC1(C)C[C@H](NC(=S)Nc2cccc(Cl)c2)c2ccccc2O1 225575405 QZTYKAGJAYKANP-HNNXBMFYSA-N 346.883 4.929 0 40 EJAB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OC2CCCC2)cc1 225698191 LEBWINKWDBPWAV-HXUWFJFHSA-N 333.472 4.932 0 40 EJAB COc1ccc(NC(=S)N[C@H](c2ccc(C)cc2C)C(C)C)cc1 225763674 GHPFLCWWBRBTEN-IBGZPJMESA-N 342.508 4.996 0 40 EJAB C[C@H]1CCCCN1c1ccc(NC(=O)c2ccc(Cl)cc2)cc1N 226266541 GNEOATNFFZQIEO-ZDUSSCGKSA-N 343.858 4.553 0 40 EJAB O=C(COCc1ccccc1)c1ccc(C(F)(F)F)cc1Cl 390809712 RAAQSHBAVFKIBN-UHFFFAOYSA-N 328.717 4.758 0 40 EJAB CC[C@H](C)N1C(=O)S/C(=C/c2cccn2-c2ccc(C)cc2)C1=O 409020587 QUKKUUSEAAAXJH-IQGJIOQQSA-N 340.448 4.621 0 40 EJAB Cc1nnc(SCc2cccc(Cl)c2)n1-c1ccc(F)cc1 409106074 KQZDOFMXUBFCMT-UHFFFAOYSA-N 333.819 4.661 0 40 EJAB CN1[C@H]2CC[C@@H]1C[C@H](O[C@@H]1C=C3C=CCC[C@H]3Cc3ccccc31)C2 1569996987 PDYXHBQNNRAJDS-PBRHZFIZSA-N 335.491 4.818 0 40 EJAB CCCC(=O)N(C)[C@@H](c1ccccc1)c1ccccc1Br 1583819162 KEFVVDXIUYLOEP-SFHVURJKSA-N 346.268 4.797 0 40 EJAB Fc1ccc(-n2c(-c3ccccc3)nc3nc4ccccc4nc32)cc1 509988 MXTYYTLZHIQKPB-UHFFFAOYSA-N 340.361 4.775 0 40 EJAB Brc1cc(Br)cc(Cc2ccccc2)c1 1562029 VUWKGSUXPFUDGQ-UHFFFAOYSA-N 326.031 4.802 0 40 EJAB COc1ccc2c3c(cc(OC)c2c1)[C@@H]1CC[C@@H](C(C)=O)[C@@]1(C)CC3 1867643 JAAOEGCBXVGVLL-JAXLGGSGSA-N 338.447 4.892 0 40 EJAB biogenic CCCOc1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2)cc1OC 1934600 JINYITPVXATFKB-VZUCSPMQSA-N 345.826 4.789 0 40 EJAB CCOc1ccc2cc(-c3csc(-c4ccccc4)n3)c(=O)oc2c1 3352191 YTISDFIVNNPSPP-UHFFFAOYSA-N 349.411 4.982 0 40 EJAB CCOCc1c(C(=O)Nc2ccc(OCC)cc2)oc2ccccc12 3547306 UJPSHULHNZYSOL-UHFFFAOYSA-N 339.391 4.620 0 40 EJAB CC1(C)Nc2ccccc2C(=O)N1Cc1ccc(Cl)c(Cl)c1 4054871 GZPRPWCUHAKFPD-UHFFFAOYSA-N 335.234 4.797 0 40 EJAB CCOC(=O)c1sc(S[C@@H](C)CC)c2c1CC(C)(C)CC2=O 4286221 AMPIBRMRXUZXOA-JTQLQIEISA-N 340.510 4.971 0 40 EJAB CCOc1ccc(C(=O)Nc2nc3cc(C)cc(C)c3s2)cc1 4331348 DNFIUWGHPYCOQN-UHFFFAOYSA-N 326.421 4.564 0 40 EJAB CCOc1ccc(C(=O)Nc2cccc(Cl)c2N2CCCC2)cc1 4746915 CTQBORZPNGLLHL-UHFFFAOYSA-N 344.842 4.591 0 40 EJAB Cc1ccc(-c2cc3ccccc3nc2N2C[C@H](C)O[C@@H](C)C2)cc1 5342370 KOOXOTGGCKGOBM-IRXDYDNUSA-N 332.447 4.824 0 40 EJAB CC[C@H](C)c1ccc(-c2csc(NC(=O)c3ccncc3)n2)cc1 5579084 DSOYCRPSNAXLGZ-ZDUSSCGKSA-N 337.448 4.971 0 40 EJAB CCCCCc1cc2c(=O)c(-c3nc(C)cs3)coc2cc1O 5826128 CWZXOOMHRFLNOE-UHFFFAOYSA-N 329.421 4.663 0 40 EJAB biogenic CN(C)c1ccc(CCC(=O)OCc2cccc3ccccc23)cc1 6590185 IRTXQDBLYADZQI-UHFFFAOYSA-N 333.431 4.582 0 40 EJAB CCCCN[C@H]1c2ccccc2C(=O)N1[C@H](C)CCc1ccccc1 9659356 BAEHIFDGFKNAKZ-DYESRHJHSA-N 336.479 4.552 0 40 EJAB O=C(Nc1ccc(F)c(Cl)c1)c1c[nH]c(=S)n1-c1ccccc1 10323158 WEAYCRYDPAXSCP-UHFFFAOYSA-N 347.802 4.580 0 40 EJAB CCOc1ccc(C(=O)N(Cc2ccco2)Cc2cccs2)cc1 11915806 OGQXIXWDTJZSMA-UHFFFAOYSA-N 341.432 4.582 0 40 EJAB Oc1ccc(/N=c2\cc(-c3ccccc3)oc3ccc(O)cc23)cc1 12129912 GZVADYHXRCLNRM-ZBJSNUHESA-N 329.355 4.743 0 40 EJAB Cc1noc(C)c1C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 14135397 YEKVUTUFDSIOFX-UHFFFAOYSA-N 349.415 4.820 0 40 EJAB Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N1CCCCCC1 17321129 LLVRZUQRZZQXET-UHFFFAOYSA-N 334.872 4.788 0 40 EJAB CCOc1ccc([C@@H](C)NC(=O)CSCc2ccccc2C)cc1 20104367 JFFKEVVIXJKBMR-MRXNPFEDSA-N 343.492 4.504 0 40 EJAB Cc1ccc(CN(C(=O)Nc2cccc(Cl)c2)c2ccccn2)o1 21149647 VZIPGSSCCBUREX-UHFFFAOYSA-N 341.798 4.875 0 40 EJAB Cc1ccc([C@H](NC(=O)[C@@]2(C)CC2(Cl)Cl)c2ccccc2)cc1 21583941 XJYUHWZCXDBSSQ-SJLPKXTDSA-N 348.273 4.785 0 40 EJAB CCN(C(=O)c1sc2cccc(F)c2c1COC)c1ccccc1 26359670 LYMWTCVNGRWBAZ-UHFFFAOYSA-N 343.423 4.854 0 40 EJAB Cc1cc(C)cc(-n2ccnc2S[C@@H](C)c2nc(C(C)C)no2)c1 27810954 DGAWRKJBNGKHAR-AWEZNQCLSA-N 342.468 4.849 0 40 EJAB O=C1NC(=O)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)S1 33286174 JOAMJRPTKCIKJW-SDQBBNPISA-N 340.187 4.577 0 40 EJAB COc1ccccc1NC(=O)c1cc2occc2n1Cc1ccccc1 36360515 BLHPTUYMGJCICS-UHFFFAOYSA-N 346.386 4.544 0 40 EJAB COc1ccc(NC(=S)Nc2ccc(Cl)c(Cl)c2)cc1F 44194801 MACAWPRRKIUAIK-UHFFFAOYSA-N 345.226 4.950 0 40 EJAB c1cncc(CN(Cc2cccc3c2OCO3)C2CCCCCC2)c1 55153511 PDCBAJZMLHBYDQ-UHFFFAOYSA-N 338.451 4.535 0 40 EJAB CN(C(=O)c1cccc(OCc2cccs2)c1)c1ccc(F)cc1 55751240 OUUBSRHXDDIXEC-UHFFFAOYSA-N 341.407 4.743 0 40 EJAB C[C@H](c1cccs1)N(C)Cc1cn2cc(Cl)cc(Cl)c2n1 58174605 ZVKXFFIYSXIBNL-SNVBAGLBSA-N 340.279 4.896 0 40 EJAB CCC(C)(C)C(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1 71909318 LZBUJKNYRPUYJX-DEOSSOPVSA-N 343.492 4.510 0 40 EJAB COC(=O)c1ccc2nc(-c3ccc(Br)cc3)sc2c1 73740458 ZJPYGBGZXQKVIZ-UHFFFAOYSA-N 348.221 4.512 0 40 EJAB Cc1ccc(C(C)C)c(OCC(=O)N[C@H](C)c2ccc(C)c(C)c2)c1 78457528 DVBVDPSULPIMSU-GOSISDBHSA-N 339.479 4.991 0 40 EJAB O=C(Nc1c(F)cccc1Br)c1ccc(Cl)s1 84245621 VOBFSSULQFAQGQ-UHFFFAOYSA-N 334.597 4.555 0 40 EJAB Cc1ccc(C(C)C)c(OCC(=O)n2cc(C=O)c3ccccc32)c1 218739527 IRSDKHUTNSGYKE-UHFFFAOYSA-N 335.403 4.605 0 40 EJAB CC(C)c1ccccc1OCC(=O)N[C@H](C)c1ccc2c(c1)CCC2 223245227 IXZBPPKLTXPNKG-MRXNPFEDSA-N 337.463 4.555 0 40 EJAB Cc1ccccc1C(=O)Nc1ccccc1NC(=O)c1ccccc1C 38633 HEUIKSBHKZREBW-UHFFFAOYSA-N 344.414 4.808 0 40 EJAB O=C(Oc1ccc(-c2cnc3ccccc3n2)cc1)c1ccc(F)cc1 241696 IFUQNEPGJZCPCL-UHFFFAOYSA-N 344.345 4.655 0 40 EJAB O=C(Nc1ccc(Br)cc1)c1cc2c(s1)CCCC2 481720 MRWAVKUEPYSQDO-UHFFFAOYSA-N 336.254 4.642 0 40 EJAB O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1ccccc1S 536148 OPXKUOLMWWCFTH-FQEVSTJZSA-N 348.423 4.756 0 40 EJAB O=C(c1ccc(CN2CCCCC2)cc1)c1ccc(C(F)(F)F)cc1 2514523 CXFKCMCRXLOMPN-UHFFFAOYSA-N 347.380 4.922 0 40 EJAB COc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1Cl 5745125 NDWZJOZGGXFMRH-UHFFFAOYSA-N 330.598 4.908 0 40 EJAB C[C@H](CC(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2)c1ccccc1 6286355 AOXRSKUULCGCFZ-YLRAVNRJSA-N 325.496 4.901 0 40 EJAB O=C(N[C@@H]1CCCc2ccccc21)c1ccc(COc2ccccc2)o1 6553695 HAWFVXJMFXWLSK-HXUWFJFHSA-N 347.414 4.666 0 40 EJAB Cc1ccc(C)c(-n2c(SCC(C)C)nc3ccccc3c2=O)c1 6651407 DNSSGDUKGRYGPL-UHFFFAOYSA-N 338.476 4.751 0 40 EJAB Cc1cc(C)c2c(=O)cc(C(=O)Nc3cccc(Cl)c3C)oc2c1 6811304 OUBDOULKOCVBHW-UHFFFAOYSA-N 341.794 4.624 0 40 EJAB CCc1cccc(CC)c1NC(=O)CN1c2ccccc2CC[C@@H]1C 7619145 CHKXRJGBUKEQDT-INIZCTEOSA-N 336.479 4.591 0 40 EJAB O=C(Cc1ccc(F)cc1)Nc1nc(-c2ccccc2Cl)cs1 7640793 IMDKPVIHCMSFQD-UHFFFAOYSA-N 346.814 4.784 0 40 EJAB CC[C@@H](NC(=O)c1ccccc1Br)c1ccc(C)cc1 7792424 GIBFCYYOSBIYOL-MRXNPFEDSA-N 332.241 4.639 0 40 EJAB O=C(CC1CCCC1)N1CCC(c2nc3ccccc3s2)CC1 8086349 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OCc1ccc(OCc2ccc3ccccc3c2)c(Br)c1 34772808 HDUAGTVMOABCGQ-UHFFFAOYSA-N 343.220 4.674 0 40 EJAB Cc1nc(-c2cccc(NC(=O)N(C)Cc3ccccc3)c2)cs1 40104086 QHGLGILKJSDGNG-UHFFFAOYSA-N 337.448 4.782 0 40 EJAB O=C(Nc1ccc(F)c(NC(=O)C2CCCCC2)c1)c1cccs1 40110738 HGGDOOIDGQMUJT-UHFFFAOYSA-N 346.427 4.658 0 40 EJAB CCCCOc1ccc(C(=O)Nc2c(C)cc(N)cc2CC)cc1 45889404 JVIAWXQWRMBENK-UHFFFAOYSA-N 326.440 4.571 0 40 EJAB Nc1ccc(Oc2ccc(Br)cc2)c(C(F)(F)F)c1 71790013 AUXSRJRCMPOQSQ-UHFFFAOYSA-N 332.119 4.842 0 40 EJAB CCc1ccc([C@H](C)NC(=O)[C@H](C)Oc2cccc(C)c2C)cc1 78458047 GZYJZHGJLGNOEQ-IRXDYDNUSA-N 325.452 4.511 0 40 EJAB c1ccc(Sc2cccc3ccccc23)c(CN2CCOCC2)c1 96235352 CBNAPSZJGHRRHR-UHFFFAOYSA-N 335.472 4.823 0 40 EJAB Cc1cccc2c(=O)c(-c3ccccc3)c(NC(=O)c3ccco3)oc12 101192201 RAUPRDMENQIYMM-UHFFFAOYSA-N 345.354 4.614 0 40 EJAB C[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 105546484 WHULTPQZMBCPJQ-RVFOSREFSA-N 337.916 4.762 0 40 EJAB O=C(CSCc1ccc(F)cc1)NCc1ccc2ccccc2c1 222793286 PFZJWFLSQJGPQX-UHFFFAOYSA-N 339.435 4.529 0 40 EJAB CC[C@@H](NC(=O)CCc1ccc(C)c(C)c1)c1ccc(OC)cc1 224294468 NFGQHPXTBGZXBK-HXUWFJFHSA-N 325.452 4.512 0 40 EJAB Cc1cc(Cl)ccc1C[C@H](Oc1cccc2ccccc12)C(=O)O 225075256 KYTVRFFNIHOZTO-IBGZPJMESA-N 340.806 4.876 0 40 EJAB O=C(O)[C@H](Cc1ccc(Cl)c(Cl)c1)Sc1ccccc1 225089247 RXECGUFKCGSPBW-AWEZNQCLSA-N 327.232 4.781 0 40 EJAB Cc1cccc(NC(=S)N[C@@H](c2ccccc2)c2ccccc2C)n1 225507630 RZQOGVNUKJNQPD-FQEVSTJZSA-N 347.487 4.774 0 40 EJAB Cc1nc2ccc(N(C)C(=O)C[C@@H]3C[C@H]3c3ccccc3)cc2s1 585081283 QKUQAQQOKBTHMQ-RDJZCZTQSA-N 336.460 4.761 0 40 EJAB Nc1ccccc1SCC(=O)N(Cc1ccccc1)c1ccccc1 414798 SWJRQUBDKORXJL-UHFFFAOYSA-N 348.471 4.594 0 40 EJAB CCCc1nc(SCc2cccnc2)c2c(C)c(C)sc2n1 1372207 AFSYDAAIVXUYJI-UHFFFAOYSA-N 329.494 4.948 0 40 EJAB O=C(CCSc1ccccc1)OCc1nc2ccccc2s1 3267279 RPDGBNYDSHUHEV-UHFFFAOYSA-N 329.446 4.522 0 40 EJAB C#C[C@@]1(O)CC[C@H]2[C@H]3CCC4=C(CC=C(OC)C4)[C@H]3CC[C@@]21CC 5651680 CQXCBGIFQZKDED-LLVBAIKDSA-N 326.480 4.598 0 40 EJAB 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EJAB Cc1nc(-c2ccc(CNC(=O)c3ccc(Cl)cc3)s2)cs1 12877235 SOCONXZMYUXEBJ-UHFFFAOYSA-N 348.880 4.763 0 40 EJAB COc1ccccc1NC(=S)Nc1ccccc1C(F)(F)F 13790130 HCNQAIHAGDQLGC-UHFFFAOYSA-N 326.343 4.523 0 40 EJAB C[C@H](c1ccccc1)N(C)C(=O)/C=C/c1cccc(Br)c1 15568519 ZIIHVASSDMIZHH-GCZGRYASSA-N 344.252 4.682 0 40 EJAB COc1ccccc1NC(=O)CCCSc1ccc(Cl)cc1 16030684 HIASYZCUOHPATN-UHFFFAOYSA-N 335.856 4.860 0 40 EJAB Cc1cccc(C)c1NC(=O)c1cccnc1NCc1ccccc1 22073084 AVEKGJPNDLJZNB-UHFFFAOYSA-N 331.419 4.563 0 40 EJAB Cc1ccnc(NC(=O)c2cc(Cl)cc(Cl)c2OC(F)F)c1 25320764 OFAJGAXIGWWAJM-UHFFFAOYSA-N 347.148 4.551 0 40 EJAB FC(F)(F)c1cccc(Nc2nc3c(Cl)ncnc3s2)c1 26896953 FSLDFGXPKZBAFC-UHFFFAOYSA-N 330.722 4.502 0 40 EJAB C[C@H]1Cc2ccccc2N1C(=O)CCCc1nc2ccccc2s1 32975292 OKBCMTRXLHKDOX-AWEZNQCLSA-N 336.460 4.597 0 40 EJAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCc2ccccc21 38756893 ZZXUBXGIZKNRJB-KRWDZBQOSA-N 331.868 4.800 0 40 EJAB CC[C@H](NC(=O)[C@@H](C)Sc1ccc(OC)cc1)c1ccc(C)cc1 44901678 LVYXDSBSJHASSB-BEFAXECRSA-N 343.492 4.752 0 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O=C(O[C@@H](c1ccccc1)C(Cl)(Cl)Cl)c1ccccc1 352472 CDFHHEIBQKAUJL-ZDUSSCGKSA-N 329.610 4.955 0 40 EJAB CC(C)CNc1ncnc2c1sc1nc(C(C)C)c3c(c12)CCC3 540290 OFMONBXJJRFZTF-UHFFFAOYSA-N 340.496 4.920 0 40 EJAB CCOc1ccc(Cc2c(Cl)nc(SC)nc2Cl)cc1C 545745 ZCMVYRFMCICRMO-UHFFFAOYSA-N 343.279 4.803 0 40 EJAB Cc1nc2ccc(Cl)cc2c(-c2ccccc2F)c1CC(=O)O 2654599 GKNFKVYKWCGDHS-UHFFFAOYSA-N 329.758 4.630 0 40 EJAB Nc1ccccc1/C=C\c1cc(/C=C/c2ccccc2)c(N)cc1N 3844631 DDUKLWGPDOXUEL-MRBUWEIXSA-N 327.431 4.774 0 40 EJAB O=C(O)c1ccc(-c2nc3ccccc3nc2-c2ccccc2)cc1 4136119 SABUZWNUWGQQOF-UHFFFAOYSA-N 326.355 4.662 0 40 EJAB CC(=O)c1c(C)nn(C(=O)N(c2ccccc2)c2ccccc2)c1C 4294178 JCSPHHMHOKVPJB-UHFFFAOYSA-N 333.391 4.509 0 40 EJAB Cc1ccc(-c2cc3ccccc3nc2N2C[C@H](C)O[C@H](C)C2)cc1 5342367 KOOXOTGGCKGOBM-CALCHBBNSA-N 332.447 4.824 0 40 EJAB O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)c1cccc(F)c1 5392315 JZJAXFPZIIAXSI-UHFFFAOYSA-N 346.814 4.779 0 40 EJAB CCc1ccc(CN(Cc2ccco2)C(=O)c2ccc(F)cc2)cc1 6747425 FISFIQOLEOVCKO-UHFFFAOYSA-N 337.394 4.824 0 40 EJAB Cc1cc(Cl)ccc1OCc1nnc(SCc2ccccc2)o1 7605049 GKLHOKAKXCLGEE-UHFFFAOYSA-N 346.839 4.903 0 40 EJAB COc1ccc(CCn2c(C)cc(-c3csc(C)n3)c2C)cc1 7763286 AURHMYLLKPWUCV-UHFFFAOYSA-N 326.465 4.788 0 40 EJAB C[C@H]1CCC[C@]2(CCc3cc4c5c(c(=O)oc4cc3O2)CCCC5)C1 9135103 WVUOPDJQAXABCC-FPTDNZKUSA-N 338.447 4.946 0 40 EJAB Cc1cc(C)c2oc(-c3cc(NC(=O)CC(C)C)ccc3O)nc2c1 9341031 VMGLBFFBNMFHFI-UHFFFAOYSA-N 338.407 4.802 0 40 EJAB Cc1cc(C(=O)Nc2cccc(Cl)c2C)c2cnn(C(C)C)c2n1 10808902 IUXKATFMUWMBPU-UHFFFAOYSA-N 342.830 4.535 0 40 EJAB Cc1cc2oc(=O)cc(CSc3cnc4ccccc4n3)c2cc1C 12908260 PNFNZSZMAWAUAE-UHFFFAOYSA-N 348.427 4.645 0 40 EJAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(Cl)cc1 14258235 YULOTBGJNDJTTF-UHFFFAOYSA-N 330.598 4.908 0 40 EJAB O=C(/C=C/c1ccco1)NCc1ccc(Oc2ccc(F)cc2)cc1 16180511 XCKGTAZGUXTWQB-VAWYXSNFSA-N 337.350 4.541 0 40 EJAB COc1ccccc1[C@H]1SCC(=O)N1c1ccc(C(C)C)cc1 19927399 IZNBERVSWBXOPX-LJQANCHMSA-N 327.449 4.597 0 40 EJAB Cc1ccc2c(CN3CCC[C@H]3c3cccs3)cc(=O)oc2c1 25423995 OEUBNDWFXOQMBG-INIZCTEOSA-N 325.433 4.500 0 40 EJAB O=C(c1cccs1)N(Cc1cccc(Cl)c1)c1ccccn1 27580256 XCRNSVOREPEJEB-UHFFFAOYSA-N 328.824 4.644 0 40 EJAB C[C@H]1CCc2noc(NC(=O)c3sc4ccccc4c3Cl)c2C1 27794553 LUGYWNNZKBPJRG-VIFPVBQESA-N 346.839 4.920 0 40 EJAB Cc1cccc(-n2ccnc2S[C@@H](C)c2nc(C(C)C)no2)c1C 27811031 HZWXMTMWFXAKTQ-AWEZNQCLSA-N 342.468 4.849 0 40 EJAB CCOc1ccc(Nc2oc(COc3cccc(C)c3)nc2C#N)cc1 32675182 XASHVJCDRUMWLL-UHFFFAOYSA-N 349.390 4.576 0 40 EJAB O=C(c1ccc(Cl)cc1)c1ccc(Br)cc1Cl 37365556 DAEJGWZRHUCBFS-UHFFFAOYSA-N 330.008 4.987 0 40 EJAB CN(Cc1ccccc1)C(=O)c1csc(-c2cc3ccccc3[nH]2)n1 38670954 GNBYBQCFEPYZOL-UHFFFAOYSA-N 347.443 4.564 0 40 EJAB C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)NCc1cccs1 40067784 GTJAOPYGLCQBNP-JTQLQIEISA-N 343.279 4.958 0 40 EJAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)N[C@H](C)c2cc(C)ccc2C)c1 44900068 GKPGGMBXKNINMO-MOPGFXCFSA-N 339.479 4.873 0 40 EJAB Cc1ccc2oc(C(=O)N3CCCCC[C@@H]3c3ccncc3)cc2c1 58261717 HBBOMUSXYFORCM-GOSISDBHSA-N 334.419 4.894 0 40 EJAB O=C(N[C@@H]1CCc2ccccc21)c1sccc1-c1ccc(F)cc1 58423810 BRYLPMASGAZIDY-GOSISDBHSA-N 337.419 4.972 0 40 EJAB O=C(COCc1ccccc1)Nc1nc2c(ccc3ccccc32)s1 69365107 PAOATDLYLOXRBM-UHFFFAOYSA-N 348.427 4.605 0 40 EJAB COc1cc(Cl)c(C)cc1NC(=S)Nc1ccc(F)cc1C 71761236 LPJKRAHNBOPASB-UHFFFAOYSA-N 338.835 4.913 0 40 EJAB CSc1ccc([C@H]2CCCCN2C(=O)OCc2ccccc2)cn1 72216912 GDLXFIXZZBKMGG-QGZVFWFLSA-N 342.464 4.667 0 40 EJAB O=C(/C=C/c1cccs1)N(Cc1ccoc1)Cc1cccs1 90612091 LAXQOWOXRHGFTR-AATRIKPKSA-N 329.446 4.645 0 40 EJAB O=C(/N=c1\[nH]c2ccccc2n1C1CCCC1)c1ccc(Cl)s1 95400158 ZJUICLDHZFUCGI-UHFFFAOYSA-N 345.855 4.541 0 40 EJAB COc1ccc(Cl)cc1C(=O)c1ccc(Br)cc1C 95916311 OJNPAMWVSOSMOY-UHFFFAOYSA-N 339.616 4.651 0 40 EJAB CCCOc1ccc(C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1 218982255 FBURJCDFTPMYHV-GOSISDBHSA-N 339.435 4.508 0 40 EJAB C[C@@H](NC(=O)COc1cccc(Cl)c1)c1ccc(C(C)(C)C)cc1 222767567 VPKLONJLDSUURY-CQSZACIVSA-N 345.870 4.894 0 40 EJAB CC[C@@H](Oc1ccccc1)C(=O)N[C@H](CC)c1ccc(C)c(C)c1 222867526 JWCLMVPCIYJKAB-WOJBJXKFSA-N 325.452 4.728 0 40 EJAB Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2 223414070 PWICMWFUEQKJND-SJORKVTESA-N 337.463 4.519 0 40 EJAB CCOc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)cc1C 224978372 FTKLVYBOKUSGPA-UHFFFAOYSA-N 338.451 4.636 0 40 EJAB C[C@@H](CC(C)(C)c1ccccc1)NC(=O)c1ccc(Cl)cc1F 225669590 PKCMUFUFHDTWBN-ZDUSSCGKSA-N 333.834 4.965 0 40 EJAB O=C(c1cccc2ncccc12)N1CC2(CCCC2)c2c(F)cccc21 501791923 GOIBEAJOCJGQMW-UHFFFAOYSA-N 346.405 4.846 0 40 EJAB CCOc1cccc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)c1 290832 OFQPSLWYDCWRQH-UHFFFAOYSA-N 329.399 4.909 0 40 EJAB O=C(/C=C/c1ccccc1)Nc1ccc(NC(=O)c2cccs2)cc1 359413 ONHRMIFSXPGLGO-MDWZMJQESA-N 348.427 4.652 0 40 EJAB Cc1ccc(C)c(CSc2nc(C)c(CCC(C)C)c(=O)[nH]2)c1 477885 ATXOBWHMBIMKBU-UHFFFAOYSA-N 330.497 4.576 0 40 EJAB CC(C)CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 558018 YOWRUCRMZNHHDQ-UHFFFAOYSA-N 328.378 4.680 0 40 EJAB Cc1nc2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2s1 567923 RLIPVWXLTOUZTO-UHFFFAOYSA-N 336.338 4.876 0 40 EJAB CCN(C(=O)c1cccs1)c1nc(-c2ccc(F)cc2)cs1 932829 CGQFAZFNLKEANB-UHFFFAOYSA-N 332.425 4.677 0 40 EJAB CCc1c(C)nc2c(-c3ccccc3)c(C)nn2c1N1CCC(C)CC1 2232395 YWGIFZHUZLZERM-UHFFFAOYSA-N 348.494 4.812 0 40 EJAB CC[C@@H](C)c1ccccc1OC[C@@H](O)CN(CC)C1CCCCC1 2694541 HUHCJNJBZMWXPS-MJGOQNOKSA-N 333.516 4.594 0 40 EJAB O=C(Nc1nc2c(F)cccc2s1)c1cccc(C(F)(F)F)c1 2714011 HPVIVTLQIIWNMI-UHFFFAOYSA-N 340.301 4.707 0 40 EJAB CC(C)c1ccc(C(=O)OCc2c(Cl)nc3sccn23)cc1 3256741 ZFIGPSTZSFTSTQ-UHFFFAOYSA-N 334.828 4.530 0 40 EJAB CC(C)(C)C(=O)COC(=O)/C(=C/c1cccs1)c1cccs1 3307336 YJSDBXSWBBSETK-JLHYYAGUSA-N 334.462 4.509 0 40 EJAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)C(C)(C)C)c2n1 4840769 RUNWEBVUKAOMGY-UHFFFAOYSA-N 326.223 4.844 0 40 EJAB CCC(=O)Oc1c(Cl)cc(-c2nc3ccccc3s2)cc1OC 5001124 JEFQUHTWZITRAG-UHFFFAOYSA-N 347.823 4.941 0 40 EJAB Cc1cccc(OCC(=O)NC(c2ccccc2)c2ccccc2)c1C 5404461 QRBNAVLHAWBRRF-UHFFFAOYSA-N 345.442 4.588 0 40 EJAB CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(C)cc1C 6026772 FPOFRHYVJOGMAG-AWEZNQCLSA-N 340.492 4.944 0 40 EJAB Cc1cccc(CN2C(=O)S/C(=C/c3cccc(Cl)c3)C2=O)c1 6478749 DPKBJLNFIWVKLW-MHWRWJLKSA-N 343.835 4.885 0 40 EJAB COc1cc(CNC(C)(C)C)ccc1OCc1ccccc1Cl 6882551 QKDHTXRVYVRHDW-UHFFFAOYSA-N 333.859 4.816 0 40 EJAB Cc1nc2ccc(N[C@H](C)C(=O)Nc3cccc(Cl)c3)cc2s1 7241964 RRHJSUOAQNTXOY-SNVBAGLBSA-N 345.855 4.697 0 40 EJAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccccc1C(C)C 8041097 QTKNSBSUKOMBHX-KRWDZBQOSA-N 327.424 4.615 0 40 EJAB Cc1cc2cc3c(nc2cc1C)O[C@H](C)CN(Cc1ccccc1)C3 13561613 SIUNGOPICXEUEW-QGZVFWFLSA-N 332.447 4.635 0 40 EJAB CC(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1 14255021 MWPDZWLQAUECJG-UHFFFAOYSA-N 344.263 4.918 0 40 EJAB CC[C@@H](Oc1ccc(F)cc1)C(=O)N[C@H](CC(C)C)c1ccccc1 20050636 GBKAYYSCJSQSGO-WOJBJXKFSA-N 343.442 4.887 0 40 EJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cccc(SC)c1 22527265 QBMOVURJLFRSKL-GOSISDBHSA-N 329.465 4.821 0 40 EJAB COc1ccc2c(c1)CC[C@@H]1[C@@H]3CC[C@H](OCCF)[C@]3(C)CC[C@@H]21 33771937 DGIIPHVYWDBDOJ-UQVNRYHBSA-N 332.459 4.906 0 40 EJAB CC1(C)[C@H]2CC[C@]1(C)[C@H](NC(=O)Cc1cccc(C(F)(F)F)c1)C2 37330476 FFEBWNABOOCVNZ-JCKWVBRZSA-N 339.401 4.579 0 40 EJAB COc1cc(C)c(NC(=O)N[C@@H](c2cccs2)C(C)C)cc1OC 40103455 QRVGJMQELZXDPO-QGZVFWFLSA-N 348.468 4.593 0 40 EJAB CCOc1cccc(CNC(=O)[C@H](C)Sc2ccc(Cl)cc2)c1 44843688 NDJIYXMIMSPVLL-ZDUSSCGKSA-N 349.883 4.536 0 40 EJAB COc1ccc(-c2c(O)c3cccc(-c4ccccc4)c3oc2=O)cc1 104187390 UMNCFXLCHWCZPI-UHFFFAOYSA-N 344.366 4.841 0 40 EJAB CCOC(=O)c1ccc(C(F)(F)F)nc1-c1ccc(Cl)cc1 199817066 YAPAPAVVNDQPSY-UHFFFAOYSA-N 329.705 4.598 0 40 EJAB COc1cccc2cc(-c3nnc(-c4cccc(C)c4)o3)c(C)nc12 216603247 NBLJKNFGILHVDO-UHFFFAOYSA-N 331.375 4.577 0 40 EJAB COc1ccccc1CCCNC(=O)c1ccccc1SC(C)C 219653673 KDVGREALGOGXMG-UHFFFAOYSA-N 343.492 4.558 0 40 EJAB O=C(Cc1ccc(-c2ccccc2)cc1)NCCCc1ccc(F)cc1 224976796 LRIVKDXSAJBNLY-UHFFFAOYSA-N 347.433 4.784 0 40 EJAB CCCN(c1cc(Cl)ccc1Oc1ccccc1)[C@@H](C)C(=O)O 225005431 CMJWWCUWPQSXLD-ZDUSSCGKSA-N 333.815 4.822 0 40 EJAB CCCCOc1ccc(NC(=O)[C@@](C)(CCC)OC)c2cccnc12 225884680 NXCAUNLVIFUNIP-HXUWFJFHSA-N 344.455 4.557 0 40 EJAB CC(C)c1ccc(C[C@]2(C)Cc3cc(CCC(=O)O)ccc3O2)cc1 257339913 ZDRWYYGTUYCSGD-JOCHJYFZSA-N 338.447 4.764 0 40 EJAB O=C(NCCCc1cc2ccccc2o1)NCc1ccc(Cl)cc1 390830744 NAZSVUFESPOZPJ-UHFFFAOYSA-N 342.826 4.518 0 40 EJAB O=C(c1ccc2[nH]ccc2c1)N1CC2(CCCC2)c2c(F)cccc21 517602914 JIARLOBSOGKAIT-UHFFFAOYSA-N 334.394 4.779 0 40 EJAB C[C@@H]1C(=O)c2c(nn(-c3ccccc3)c2-c2ccc(F)cc2)C[C@H]1C 106063 XJEHDQSJBHXWSJ-KGLIPLIRSA-N 334.394 4.689 0 40 EJAB CCOC(=O)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 121871 TUPASNXVBALDOQ-UHFFFAOYSA-N 345.704 4.723 0 40 EJAB biogenic,in-vitro CCOC(=O)c1oc2nc(-c3ccccc3)cc(-c3ccco3)c2c1N 159176 LNAAGGWWDSQIDP-UHFFFAOYSA-N 348.358 4.514 0 40 EJAB Cc1ccc(N2CCN(c3ccc(C)cc3)C2c2ccccn2)cc1 184317 RFBCIRIGMVSMMQ-UHFFFAOYSA-N 329.447 4.724 0 40 EJAB O=C(c1ccc(CN2CC=CC2)cc1)c1ccc(Cl)cc1Cl 2514918 YPICIHATXUBENM-UHFFFAOYSA-N 332.230 4.596 0 40 EJAB CCc1ccc2c(CSc3nc4ccccc4[nH]3)cc(=O)oc2c1 5628365 HYUDYIRJXVQFKD-UHFFFAOYSA-N 336.416 4.524 0 40 EJAB COc1ccccc1NCC(=O)Nc1cccc(Oc2ccccc2)c1 5689748 WMPPXOIACKWGGT-UHFFFAOYSA-N 348.402 4.538 0 40 EJAB Cc1ccn2cc(-c3ccc(NC(=O)c4ccccc4F)cc3)nc2c1 5907157 GZIAXYMIYHCVLR-UHFFFAOYSA-N 345.377 4.701 0 40 EJAB CSCc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1 5965722 WVKQCEMQTDPYHV-UHFFFAOYSA-N 325.355 4.821 0 40 EJAB CSc1ccc(/C=C/C(=O)NC23CC4CC(CC(C4)C2)C3)cc1 6052310 CLSUWINUSRPYKV-QPJJXVBHSA-N 327.493 4.507 0 40 EJAB aggregator O=C(Cc1cccs1)Nc1nc(-c2ccc(Cl)s2)cs1 6085429 URECLXSTXKEMKM-UHFFFAOYSA-N 340.882 4.768 0 40 EJAB Cc1ccccc1-c1nnc(S[C@@H](C)c2ccc(F)cc2)n1C 6148287 XXVFTOBSDUOETF-ZDUSSCGKSA-N 327.428 4.783 0 40 EJAB COc1ccc(CC(=O)Nc2ccc(-c3ccccc3)cc2)cc1OC 6839414 PEEWGBDFWUJBCY-UHFFFAOYSA-N 347.414 4.552 0 40 EJAB O=C(NCCc1ccccc1)c1ccc(-c2ccc(Cl)cc2)o1 6885128 SGARZPKRRVUPJP-UHFFFAOYSA-N 325.795 4.573 0 40 EJAB O=C(Nc1ccc2oc(-c3ccccc3Cl)nc2c1)C(F)(F)F 8071099 AZSBTAFLFLTDJG-UHFFFAOYSA-N 340.688 4.649 0 40 EJAB Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(Br)cc2)c1 10542748 SASCJIXHLZYEFP-CYBMUJFWSA-N 332.241 4.557 0 40 EJAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1cccc(OC(C)C)c1 10715486 WQZODHBMXZVDOF-IBGZPJMESA-N 327.424 4.578 0 40 EJAB Cc1cccc(NC(=O)c2cccc(OCc3csc(C)n3)c2)c1 12853234 KYEVYEIAFBXWBI-UHFFFAOYSA-N 338.432 4.591 0 40 EJAB O=C(O)c1ccc(Cl)c(NC(=O)c2ccc(Cl)cc2Cl)c1 13168089 CLUICTAONVTPIZ-UHFFFAOYSA-N 344.581 4.597 0 40 EJAB O=C(c1ccc(Cl)cc1)N1CCC[C@@H]1c1nc2ccccc2s1 15646794 ONIJYMKHEDVDQG-OAHLLOKOSA-N 342.851 4.927 0 40 EJAB CC[C@@H](Oc1ccc(F)cc1)C(=O)N[C@@H](CC(C)C)c1ccccc1 20050631 GBKAYYSCJSQSGO-VQTJNVASSA-N 343.442 4.887 0 40 EJAB O=C(CSc1cccc2cccc(Cl)c12)Nc1ccccn1 27653441 VNQRGIKARDQMHV-UHFFFAOYSA-N 328.824 4.619 0 40 EJAB O=C(c1ccc(C2CCCCC2)cc1)N1CCO[C@H](c2ccccc2)C1 27905806 CZXGMOTVOMAYAI-QFIPXVFZSA-N 349.474 4.948 0 40 EJAB O=C(Nc1ccccc1OCC(F)(F)F)[C@H]1CCCc2ccccc21 32760194 WQUVUOBBDIYPLH-HNNXBMFYSA-N 349.352 4.686 0 40 EJAB Cc1ccc(C2=N/C(=C/c3ccc(-c4ccc(F)cc4)o3)C(=O)O2)cc1 41082738 WKCPMZNGNJVBPY-LDADJPATSA-N 347.345 4.739 0 40 EJAB OC1=Nc2c(cnn2Cc2ccc(Cl)cc2)[C@H](c2ccsc2)C1 49546446 AZHINZWENLESET-AWEZNQCLSA-N 343.839 4.770 0 40 EJAB Cc1ccc(C)c([C@@H](C)NC(=O)COc2ccc(C(C)(C)C)cc2)c1 59351440 ZAYSLDRHJSPRTF-QGZVFWFLSA-N 339.479 4.857 0 40 EJAB CCCCc1ccc(NC(=O)c2cc3c(cc2C)OCCCO3)cc1 65315030 TWXJPFINWPKKCS-UHFFFAOYSA-N 339.435 4.751 0 40 EJAB COc1ccc(OC)c2c(/C=C/c3c[nH]c4ccccc34)ccnc12 68755421 AXNIWTPFDUKVDR-BQYQJAHWSA-N 330.387 4.904 0 40 EJAB Cc1nnc(-c2ccccc2NC(=O)CCCC2CCCCC2)o1 71798113 CWYKYXJHOLQFPG-UHFFFAOYSA-N 327.428 4.734 0 40 EJAB C[C@@H]1CN(C(=O)c2cccnc2Nc2cccc(F)c2)c2ccccc21 77216383 PZNFOBFANOOOBS-CQSZACIVSA-N 347.393 4.728 0 40 EJAB Cc1ccccc1-c1cc(NCc2csc(C(C)(C)C)n2)n(C)n1 84247665 JSTJYGHUNGGAOA-UHFFFAOYSA-N 340.496 4.762 0 40 EJAB O=C(c1ccc2ccccc2n1)N(Cc1ccco1)c1cccc(F)c1 89873117 IGPGMYRGYUMNRP-UHFFFAOYSA-N 346.361 4.814 0 40 EJAB CC(C)c1ccc(C2=C[C@@H](c3ccc(F)cc3)n3ncnc3N2)cc1 102568318 KURCSJHFHPAARB-IBGZPJMESA-N 334.398 4.597 0 40 EJAB COc1ccc([C@H]2CCCCN(C(=O)/C=C/c3cccs3)C2)cc1 208002801 CYTRAQGKWXRPLU-FLVLSHQESA-N 341.476 4.566 0 40 EJAB Cc1cccc(CSCC(=O)Nc2ccc(C(F)(F)F)cc2)c1 222738667 XJFLVEXDOVLYMD-UHFFFAOYSA-N 339.382 4.886 0 40 EJAB C[C@H](NC(=O)COc1cccc(Cl)c1)c1ccc(C(C)(C)C)cc1 222767628 VPKLONJLDSUURY-AWEZNQCLSA-N 345.870 4.894 0 40 EJAB C[C@H]1CC(C)(C)N(C(=O)C(C)(C)Br)c2ccc(F)cc21 223238609 NSPZSCXRQXNPPY-JTQLQIEISA-N 342.252 4.618 0 40 EJAB O=C(Cc1ccc(Cl)cc1F)Nc1ccc(OC2CCCC2)cc1 225193458 PFJKXFJGMAAAHM-UHFFFAOYSA-N 347.817 4.982 0 40 EJAB CCCCOc1c(C)cc(NC(=O)[C@@](C)(CC(C)C)OC)cc1C 225608823 SCSUGZUXJNETEM-HXUWFJFHSA-N 335.488 4.872 0 40 EJAB CC[C@H](NC(=O)/C=C/c1ccccc1Cl)c1ccc(OC)c(C)c1 225688149 RSEJHDYGGXSICH-KSEUIEODSA-N 343.854 4.938 0 40 EJAB CC(C)c1ccc(NC(=S)N[C@H](C)COc2ccccc2)cc1 225781428 NESDSMFBTCYUHS-OAHLLOKOSA-N 328.481 4.564 0 40 EJAB Cc1ccc(C(=O)Nc2nc3ccc4sc(C)nc4c3s2)cc1 190190 OUGAXMZNUZGVKT-UHFFFAOYSA-N 339.445 4.775 0 40 EJAB Cc1cc(=O)oc2c3c(ccc12)OCN(c1ccc(C(C)(C)C)cc1)C3 2114319 SDUGWVFNCYDJFT-UHFFFAOYSA-N 349.430 4.755 0 40 EJAB biogenic CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=O)cc1C 2677948 MFBJZAWMINCHDD-UHFFFAOYSA-N 334.419 4.839 0 40 EJAB Oc1ccc(N(C(=S)Nc2ccccc2)c2ccc(O)cc2)cc1 3140955 YEJUVWISXNCDHW-UHFFFAOYSA-N 336.416 4.633 0 40 EJAB Cc1cc2cc(CNC(=S)Nc3ccc(Cl)cc3)ccc2[nH]1 4266030 RHSQFLGHCGKSML-UHFFFAOYSA-N 329.856 4.616 0 40 EJAB C(=C/c1ccccc1)\CSc1ncnc2c1cnn2-c1ccccc1 4341396 UXZYUWZEJLBNJG-JXMROGBWSA-N 344.443 4.621 0 40 EJAB COc1ccc(-c2csc(NC(=O)c3ccc(C)cc3C)n2)cc1 4813897 QZETUYWLWGGKLY-UHFFFAOYSA-N 338.432 4.688 0 40 EJAB Cc1cc(F)ccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 5617665 SWFOKJYUFPKLLR-SNVBAGLBSA-N 342.197 4.847 0 40 EJAB Cc1ccc(C(C)C)c(OCC(=O)NCCc2ccc(Cl)cc2)c1 6284152 YXWCSDPDZGHMMK-UHFFFAOYSA-N 345.870 4.510 0 40 EJAB FC(F)(F)c1nc(Oc2ccc3ccncc3c2)c2ccccc2n1 8389438 AASLGNURXOUWLY-UHFFFAOYSA-N 341.292 4.989 0 40 EJAB Fc1ccc(-c2cnc(CSc3ncnc4ccccc34)o2)cc1 8769312 NQAOZRJRSNTGQS-UHFFFAOYSA-N 337.379 4.716 0 40 EJAB O=c1[nH]c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2o1 9751071 YLZVKXDHJVHADC-UHFFFAOYSA-N 343.795 4.642 0 40 EJAB Cc1ccc(C)c(NC(=O)CSCc2nc3ccccc3s2)c1 11101745 JOTXVWIUSUTGRU-UHFFFAOYSA-N 342.489 4.785 0 40 EJAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccccc1F 12856234 JGAXBMBPOJHNNM-UHFFFAOYSA-N 326.293 4.508 0 40 EJAB Cc1cc(C)cc(NC(=O)CCc2ncc(-c3ccccc3F)o2)c1 12946995 RTVILNSBWHONGY-UHFFFAOYSA-N 338.382 4.669 0 40 EJAB Oc1cccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccsc2)c1 13036287 ZAPRQINYUUNAMD-AZUAARDMSA-N 348.427 4.696 0 40 EJAB Cc1cc(O[C@H](C)C(=O)NC2CCCCCCC2)cc(C)c1Cl 14398405 NRSHTNNUKYLQJE-OAHLLOKOSA-N 337.891 4.953 0 40 EJAB CCCC(=O)Nc1ccc(OC/C=C/c2ccccc2)c(C(C)=O)c1 21625103 HPQPJRVQOCCRNQ-YRNVUSSQSA-N 337.419 4.720 0 40 EJAB Cc1ccc(C)c(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)c1 22525363 GNUXNUVJQHLNNQ-UHFFFAOYSA-N 336.479 4.788 0 40 EJAB O=C(Nc1cc(-c2ccccc2)n[nH]1)Nc1ccccc1C(F)(F)F 28304984 VVNPJODMQAYBQW-UHFFFAOYSA-N 346.312 4.740 0 40 EJAB O=C(O)c1ccc(Nc2ccnc3c(C(F)(F)F)cccc23)cc1 34925922 SDAADTKBVGFBMC-UHFFFAOYSA-N 332.281 4.695 0 40 EJAB Cc1ccc(CN[C@@H](c2ccc(Cl)cc2)c2nccn2C)c(C)c1 40088610 GVYSMXFUGGAQCE-IBGZPJMESA-N 339.870 4.570 0 40 EJAB C[C@@H](c1ccccn1)N(C(=O)Cc1ccc(Cl)c(Cl)c1)C1CC1 47177974 XOWJYZZVFQPBPI-LBPRGKRZSA-N 349.261 4.683 0 40 EJAB COc1cc(CN[C@H](C)c2cccc(Cl)c2)cc(Cl)c1OC 72670679 LQOBCQKISBGRIP-LLVKDONJSA-N 340.250 4.861 0 40 EJAB CC[C@@H](C(=O)NCC[C@H](O)c1cccc2ccccc12)c1ccccc1 77116621 YJWRDUPEYXBPPB-KNQAVFIVSA-N 347.458 4.573 0 40 EJAB O=C(CCOc1cccc2ccccc12)Nc1ccc2ccccc2n1 95349379 SYXBGGPAFXQNKA-UHFFFAOYSA-N 342.398 4.796 0 40 EJAB O=C(Cc1ccc(Br)cc1)Nc1cccc2c1CCCC2 96171110 FEFHRTJGBGIYFX-UHFFFAOYSA-N 344.252 4.509 0 40 EJAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)Nc1ccc2c(c1)C(=O)c1ccccc1-2 103521084 KNWKNLLHCPJJQD-SOUVJXGZSA-N 331.415 4.663 0 40 EJAB O=C(Nc1cccc2ccccc12)c1cnc(-c2ccccc2)nc1 109000327 VFZKBJFOYASHKS-UHFFFAOYSA-N 325.371 4.549 0 40 EJAB CCCC[Sn](CCCC)(CCCC)N(C)C 195944609 OWTXIZLJXVEGMT-UHFFFAOYSA-N 334.136 4.894 0 40 EJAB COc1ccc(C(=O)NC(C)C)cc1CSc1ccc(Cl)cc1 224344494 IKCPXLUDPLJJFO-UHFFFAOYSA-N 349.883 4.779 0 40 EJAB Cc1cc(NC(=O)C(Cl)(Cl)Cl)cc(C)c1OCC(C)C 225591484 OTKCPKZUQBZYDL-UHFFFAOYSA-N 338.662 4.647 0 40 EJAB CCOc1ccc(NC(=O)C2(OCC)CCCCCC2)cc1Cl 225712349 OMYVWZNCBYMLJE-UHFFFAOYSA-N 339.863 4.807 0 40 EJAB CC(C)n1cccc1CN(C)C(=O)c1ccc2nc(Cl)sc2c1 225984215 XZZDLJHWROEAPY-UHFFFAOYSA-N 347.871 4.604 0 40 EJAB C[C@H]1CCC[C@H](C)N1C(=O)c1ccc(-c2cc(N)ccc2Cl)o1 226305229 OBWPYYLEBHENHC-RYUDHWBXSA-N 332.831 4.585 0 40 EJAB Cc1ccc(NC(=O)CN(C2CCCCC2)C2CCCCC2)cc1 408583370 UCKIMHAOYPUOJM-UHFFFAOYSA-N 328.500 4.901 0 40 EJAB CCCCOc1ccc(C(=O)Nc2ccc(F)c(C)c2)cc1OCC 408618911 IFGWHZKNFKBVLJ-UHFFFAOYSA-N 345.414 4.964 0 40 EJAB CCC(CC)(NC(=O)c1ocnc1C1CC1)c1ccc(Cl)cc1 585083800 PZFYHYFCMLLTQS-UHFFFAOYSA-N 332.831 4.651 0 40 EJAB O=C(NC1(Cc2ccc(Cl)cc2)CCC1)c1cc(F)cc(F)c1 1595783174 PESFOXYAQCFGRS-UHFFFAOYSA-N 335.781 4.513 0 40 EJAB C[P@](=O)(Nc1ccc2ccccc2c1)c1nc2c(s1)CCCC2 3176272 DFEFULSXKSEAIM-JOCHJYFZSA-N 342.404 4.820 0 40 EJAB Cc1ccccc1NC(=O)COc1ccc(Oc2ccccc2)cc1 3189481 TXHIGDPENROFDV-UHFFFAOYSA-N 333.387 4.805 0 40 EJAB Cc1sc(NC(=O)Cc2ccsc2)nc1-c1ccc(F)cc1 3328218 FTJGLSYJZBLYGO-UHFFFAOYSA-N 332.425 4.500 0 40 EJAB C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N(C)C1CCCCC1 3348169 VIGUFBWERMJIAM-LLVKDONJSA-N 329.271 4.585 0 40 EJAB O=C(CCSCc1ccc(Cl)c(Cl)c1)NCc1ccco1 4983060 BQPMANFSHPBAFB-UHFFFAOYSA-N 344.263 4.526 0 40 EJAB CC(C)(C)c1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1 6323497 IBVRFUWQVSWKCX-UHFFFAOYSA-N 343.295 4.932 0 40 EJAB COc1ccc2nc(/C=C/c3ccc4c(c3)OCO4)cc(Cl)c2c1 6928614 IFOBHFQZTPWJOV-DUXPYHPUSA-N 339.778 4.796 0 40 EJAB CC(C)C[C@H](NC(=O)c1ccccc1Br)c1ccccc1 7036986 PRICOIBCMUABGP-KRWDZBQOSA-N 346.268 4.966 0 40 EJAB COc1cc(/C=C(\Cl)c2nc(-c3ccsc3)no2)cc(OC)c1 7333531 GNBHYCXOMBRJCC-AUWJEWJLSA-N 348.811 4.552 0 40 EJAB CSc1ccccc1NC(=O)COc1ccccc1C(C)(C)C 8040954 PTIGRYLKNVCGNT-UHFFFAOYSA-N 329.465 4.724 0 40 EJAB O=C(Nc1ccc(F)cc1)c1cc(-c2cccnc2)nc2ccccc12 11554374 UOROYODLTBKGCY-UHFFFAOYSA-N 343.361 4.688 0 40 EJAB Cc1ccc2cccc(OC(=O)c3ccc(Br)cc3)c2n1 11613894 GVVCPTODGVPNIE-UHFFFAOYSA-N 342.192 4.525 0 40 EJAB Cc1nn(Cc2ccccc2Cl)c(C)c1NCc1cccs1 12395899 NKGBCHCXYMKSHW-UHFFFAOYSA-N 331.872 4.875 0 40 EJAB COc1ccc(CN(C(=O)c2cc3ccccc3o2)[C@@H](C)C2CC2)cc1 12875883 CAGIWEKXVMWXJY-HNNXBMFYSA-N 349.430 4.882 0 40 EJAB O=C(Nc1cccc2cccnc12)C1(c2cccc(F)c2)CCCC1 14517754 MYOQKOQPTCUGJU-UHFFFAOYSA-N 334.394 4.824 0 40 EJAB O=C(/C=C/c1ccsc1)N[C@@H](c1ccccc1)c1cccs1 20018774 ABNFYBRUJQUQOT-BLGFXRMMSA-N 325.458 4.729 0 40 EJAB Clc1ccc(-c2noc(CSc3ncccc3Cl)n2)cc1 22989169 DQSQVXXGDKDJLH-UHFFFAOYSA-N 338.219 4.731 0 40 EJAB c1ccc(-c2nc(N3CCCC3)c3oc(-c4ccccc4)nc3n2)cc1 27985975 SSPJOBRJRIEANE-UHFFFAOYSA-N 342.402 4.552 0 40 EJAB Cc1ccc(-c2nc(CC(=O)Nc3ccc4[nH]ccc4c3)cs2)cc1 32087808 YUHPFXCZCBKQFQ-UHFFFAOYSA-N 347.443 4.781 0 40 EJAB C[C@H](N[C@H](C)C(=O)Nc1cc(Cl)ccc1Cl)c1ccccc1 58160714 XKLYXBCXPBHGGD-NWDGAFQWSA-N 337.250 4.671 0 40 EJAB Cc1cc(NC(=O)N(C)[C@@H](C)CC(C)C)ccc1Br 58418532 JTNOPQZFECDIHO-LBPRGKRZSA-N 327.266 4.656 0 40 EJAB Cc1ccccc1-c1nnc(CNc2cc(Cl)ccc2Cl)o1 62649355 PKTDQAIBNSJRKJ-UHFFFAOYSA-N 334.206 4.964 0 40 EJAB Fc1ccccc1Cc1cccc([C@@H]2CCCN2Cc2cccnc2)n1 72357677 ZGFRJZOABJARIB-QFIPXVFZSA-N 347.437 4.544 0 40 EJAB CCc1ccc([C@H](C)NC(=O)[C@@H](CC)Oc2ccc(C)cc2)cc1 78458369 CAFJNDVVPRWQFQ-OXJNMPFZSA-N 325.452 4.592 0 40 EJAB Cc1ccc(-c2nc(CNc3cccc(-c4nc[nH]n4)c3)cs2)cc1 84174567 XFYRCIXTGWUBBK-UHFFFAOYSA-N 347.447 4.516 0 40 EJAB Nc1ccc(Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(N)c1 91252367 LKMKOHCXZBNQMG-UHFFFAOYSA-N 336.235 4.681 0 40 EJAB CC1(C)CC(=O)C([C@@H](CC(=O)c2ccccc2)c2ccccc2)C(=O)C1 100452855 SNSWUHHPTHNZNQ-SFHVURJKSA-N 348.442 4.618 0 40 EJAB CC[C@@H](Oc1ccccc1C)C(=O)NCc1cccc2ccccc12 222872112 VKRHUTYSSSFTME-HXUWFJFHSA-N 333.431 4.622 0 40 EJAB CCOc1ccc(C(=O)NCCC2=CCCCC2)cc1COC(C)C 224713409 VJYKEZBZCXHGCT-UHFFFAOYSA-N 345.483 4.631 0 40 EJAB CC[C@H](NC(=O)CCc1ccc(OC)c(C)c1)c1ccc(C)c(C)c1 225511433 ITPXQVPVPIAENS-FQEVSTJZSA-N 339.479 4.821 0 40 EJAB CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC(C)C)cc1 225733633 DBFIWNVIUSRJHC-HXUWFJFHSA-N 335.488 4.891 0 40 EJAB CCCCOc1ccc(-c2nc(O)c3ccccc3n2)cc1OCC 575410894 KTBYIKVVUUQQLY-UHFFFAOYSA-N 338.407 4.580 0 40 EJAB O=C(Oc1ccc2c(=O)c(-c3ccccc3)coc2c1)c1cccs1 85141 OTUMHQHBLKVATJ-UHFFFAOYSA-N 348.379 4.741 0 40 EJAB biogenic CCOC(=O)c1cnc2ccc(C)cc2c1Nc1ccc(N(C)C)cc1 85164 FQZGUGFZHWWLOY-UHFFFAOYSA-N 349.434 4.530 0 40 EJAB Clc1ccc(CN2C3=NCCCN3c3ccccc32)c(Cl)c1 186899 AWTIHXFFIIEHNK-UHFFFAOYSA-N 332.234 4.580 0 40 EJAB Cc1cccc(C(=O)Nc2scc(-c3cccs3)c2C(=O)O)c1 351835 QOBRSWNBXPUNIU-UHFFFAOYSA-N 343.429 4.736 0 40 EJAB CCc1ccc(Nc2ncnc3c2cnn3-c2ccc(Cl)cc2)cc1 426486 MHGZPPXOIQIJIJ-UHFFFAOYSA-N 349.825 4.775 0 40 EJAB Cc1ccc(Oc2cc(N3CCCC3)nc(-c3ccccc3)n2)cc1 1398438 SNFJEDFWUSLEFY-UHFFFAOYSA-N 331.419 4.845 0 40 EJAB COc1ccccc1OCCCC(=O)Nc1ccccc1C(C)C 1892976 YITPNMIUQAOGEK-UHFFFAOYSA-N 327.424 4.616 0 40 EJAB O=C(CCN1c2ccccc2Sc2ccccc21)Nc1cccnc1 2643480 NSRDDDZRKNFAJF-UHFFFAOYSA-N 347.443 4.713 0 40 EJAB Cc1cccc(C)c1Nc1nnc(S[C@H]2CCCCC2=O)s1 3313091 VOAAGGPFFMCOGC-ZDUSSCGKSA-N 333.482 4.502 0 40 EJAB COc1ccc(Cl)cc1NC(=O)c1cccc(C(F)(F)F)c1 3549888 NMLNFTYITLNHJQ-UHFFFAOYSA-N 329.705 4.620 0 40 EJAB Cc1ccc(SCC(=O)Nc2nc3cc(C)cc(C)c3s2)cc1 4496502 NZCBCYXJQIOIKG-UHFFFAOYSA-N 342.489 4.952 0 40 EJAB CCCCn1c(=S)[nH]c2scc(-c3ccc(F)cc3)c2c1=O 5869505 GVLWOAFVSNPODJ-UHFFFAOYSA-N 334.441 4.727 0 40 EJAB O=C(CSc1nc2ccc(Cl)cc2o1)c1cc(F)ccc1F 5938917 WGQBSSOXCDKDDU-UHFFFAOYSA-N 339.750 4.734 0 40 EJAB COc1ccc(Nc2ncnc3sc4c(c23)CCCCC4)cc1 6787628 FSRMIGROINUEOM-UHFFFAOYSA-N 325.437 4.712 0 40 EJAB Cc1[nH]c2ccc(C(=O)OCc3nc4ccccc4s3)cc2c1C 6943144 IHQSFHNOEKKMRK-UHFFFAOYSA-N 336.416 4.751 0 40 EJAB O=C(/C=C/c1ccc(F)c(Cl)c1)N1CCC[C@@H]1c1ccccc1 9957009 AZVMALADNRISTP-SXAWMYDMSA-N 329.802 4.856 0 40 EJAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCCc2ccccc21 13648950 IGNMBQRQONYXLG-CYBMUJFWSA-N 331.868 4.800 0 40 EJAB C[C@H]1CCCCN1c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 14268879 FTQVKXZUGZXVIK-AWEZNQCLSA-N 328.843 4.971 0 40 EJAB ClC1(Cl)C[C@@H]1CSc1nnc(-c2c[nH]c3ccccc23)o1 15355192 OARDMZDQRLZWPG-MRVPVSSYSA-N 340.235 4.504 0 40 EJAB CCCCCCOc1ccc(C(=O)Nc2cc(N)ccc2F)cc1 19736614 WLEAYGQGCDZBQL-UHFFFAOYSA-N 330.403 4.619 0 40 EJAB CCCCc1ccc(NC(=O)[C@@H](CC)Oc2ccc(F)cc2)cc1 30872768 VTUIIOYVNFIYPM-LJQANCHMSA-N 329.415 4.964 0 40 EJAB O=C(Nc1ccc(Cl)cc1Cl)c1cc(-c2ccccc2)on1 31334978 HNVDKIRCWIQAEX-UHFFFAOYSA-N 333.174 4.901 0 40 EJAB C[C@@H](NC(=O)N(C)Cc1ccccc1)c1cccc(C(F)(F)F)c1 32863170 DXVGRJSAKALXIV-CYBMUJFWSA-N 336.357 4.608 0 40 EJAB Cc1ccc(-c2cc(C(F)(F)F)nc(N3CCCCCC3)n2)s1 36618636 XUHAHKFSIZZRJC-UHFFFAOYSA-N 341.402 4.913 0 40 EJAB COc1ccc(Oc2ccc(CNCc3ccc(C)s3)cn2)cc1 40120012 QQEGFYKAVLUCIK-UHFFFAOYSA-N 340.448 4.542 0 40 EJAB CC(C)CCOc1ccc(-c2nn(-c3ccccc3)cc2C=O)cc1 53943989 RVDQLGSRYSABBE-UHFFFAOYSA-N 334.419 4.777 0 40 EJAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N[C@@H](C)c1ccc(C)cc1C 59351652 JUDHHRATAAEGFL-GHTZIAJQSA-N 339.479 4.955 0 40 EJAB Cc1nc(NC(=O)c2cc(OC(C)C)c3ccoc3c2)sc1C 71195348 YFPRIDZWHIJYCZ-UHFFFAOYSA-N 330.409 4.546 0 40 EJAB CC1=Nc2c(c(O)nn2C(C)C)[C@H](c2ccc(F)cc2Cl)S1 71286221 DDHORWPFYRCCKH-ZDUSSCGKSA-N 339.823 4.848 0 40 EJAB Cc1cc(NC(=S)Nc2ccc(Br)cc2)ccc1F 71760609 LPWGGMRFYAZKOU-UHFFFAOYSA-N 339.233 4.706 0 40 EJAB Cc1cc(N[C@H](c2ccccc2F)c2nccn2C)c2ccccc2n1 89583086 BJAFXRHYFZXHBC-HXUWFJFHSA-N 346.409 4.617 0 40 EJAB Fc1cc(Br)ccc1SC(F)(F)C(F)(F)F 91252531 QTFNDPNOGWWHCA-UHFFFAOYSA-N 325.071 4.835 0 40 EJAB Cc1ccc(CSCC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)cc1 223152536 ZVTKSUIDMNUWCP-INIZCTEOSA-N 339.504 4.594 0 40 EJAB CCOCc1cc(C(=O)Nc2c(C)cccc2CC)ccc1OCC 224693956 VJZOWQZAGLZCOL-UHFFFAOYSA-N 341.451 4.745 0 40 EJAB Cc1ccc(CNC(=S)Nc2ccc(OC3CCCC3)cc2)cc1 225311829 KNOPIYHZGLEEDD-UHFFFAOYSA-N 340.492 4.803 0 40 EJAB CCCCOc1ccc(NC(=O)[C@@]2(OC)CCC[C@H](C)C2)cc1C 225637494 DZSZSTUYYMTTSU-MGPUTAFESA-N 333.472 4.708 0 40 EJAB CCOc1c(C)cc(NC(=O)C2(OCC)CCCCCC2)cc1C 225711983 FTTDPTPJDVGUEO-UHFFFAOYSA-N 333.472 4.770 0 40 EJAB CCOc1ccc(C(=O)N[C@H](CC)c2ccc(OC)cc2)cc1Cl 225849252 JROAAEHBKZMQLW-QGZVFWFLSA-N 347.842 4.628 0 40 EJAB Cc1ccc(/C=C/C(=O)NCCSc2ccc(Cl)cc2)cc1 409410429 MWMFHQDWSULXIY-IZZDOVSWSA-N 331.868 4.570 0 40 EJAB Cc1oc(C(=O)O)cc1CN1CCCCC[C@H]1/C=C\c1cccs1 581554045 QCOVCFXPJWSWDR-QWGSZXSUSA-N 345.464 4.806 0 40 EJAB CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc(-c3ccccc3)cc2)C12CCC2 1516251798 JSENUSPXUQULQO-RTWAWAEBSA-N 349.474 4.773 0 40 EJAB Cc1ccc(-c2nc3ncccc3n2OCc2cccc(Cl)c2)cc1 1400185 BJOHBKAPRWEZEA-UHFFFAOYSA-N 349.821 4.689 0 40 EJAB CCCCC(=O)Nc1cccc(-c2nnc(-c3ccc(C)cc3)o2)c1 2154388 YVFRRAWYDQXAQK-UHFFFAOYSA-N 335.407 4.841 0 40 EJAB CCN(CC)c1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1 2974822 JGGBLHYUQXZZLM-UHFFFAOYSA-N 342.446 4.934 0 40 EJAB C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1C)c1ccccc1 3431757 VKPCZXLXVLSNPC-GFCCVEGCSA-N 329.856 4.989 0 40 EJAB COc1ccccc1NC(=O)N(C1=NCCC1)c1ccc(Cl)cc1 4570545 MNOAKAKSKSGZJK-UHFFFAOYSA-N 343.814 4.579 0 40 EJAB CCc1nc(N2CCc3ccccc3C2)c2oc3ccccc3c2n1 5156522 AFVXCAXNGIMAHL-UHFFFAOYSA-N 329.403 4.501 0 40 EJAB CC(C)C(=O)Nc1cccc(NC(=O)c2cccc3ccccc23)c1 5842076 KXUCYHBVOUSNOL-UHFFFAOYSA-N 332.403 4.687 0 40 EJAB CCOc1ccc(C2=NNC(c3ccccc3)=Nc3ccccc32)cc1 6600859 AVKFMWSFVJEFCI-UHFFFAOYSA-N 341.414 4.519 0 40 EJAB COc1ccc(CNCc2ccc(OCc3ccccc3)cc2)cc1 7538283 GSOUSFJZUNVOMX-UHFFFAOYSA-N 333.431 4.564 0 40 EJAB CCOc1cc(CN[C@H](C)c2ccccc2)cc(Cl)c1OCC 8253908 ZWBDYLSWLSABAT-CQSZACIVSA-N 333.859 4.988 0 40 EJAB COc1cc(Cl)c(NC(=O)c2cc3ccccc3s2)cc1OC 11066627 IBHKEJNCOYAECE-UHFFFAOYSA-N 347.823 4.824 0 40 EJAB COc1cccc(-c2nnc(SCc3ccc(Cl)cc3)o2)c1 12178916 OULXSYGHFDJQQB-UHFFFAOYSA-N 332.812 4.691 0 40 EJAB C[C@@H](NC(=O)c1ccccc1COc1ccccc1)c1ccccc1 12766926 XFPRUIHRHVMYDL-QGZVFWFLSA-N 331.415 4.757 0 40 EJAB O=C(Cc1cccc2cccnc12)OCc1cccc2ccccc12 14151293 HBBKETRQAQAXNO-UHFFFAOYSA-N 327.383 4.674 0 40 EJAB CN(Cc1cccs1)C(=O)/C=C/c1ccc(Cl)cc1Cl 14189578 CVKQESHDNIENEY-FNORWQNLSA-N 326.248 4.727 0 40 EJAB Cc1nc(-c2cccs2)c(CC(=O)Nc2cccc(C)c2C)s1 15840146 KGSZWHFVEVSIKH-UHFFFAOYSA-N 342.489 4.978 0 40 EJAB COc1ccc(O[C@@H](C)CNc2ccc(OCCC(C)C)cc2)cc1 19738205 SIZBGFPDACXBFK-KRWDZBQOSA-N 343.467 5.000 0 40 EJAB CC(C)(C)c1noc(CSc2nc3cc(Cl)ccc3s2)n1 23949826 MYNZFSPQTJMGQP-UHFFFAOYSA-N 339.873 4.923 0 40 EJAB C[C@H](Sc1ncnc2ccsc12)C(=O)c1cccc(Cl)c1 32850643 VFSDNKATHCOQPM-VIFPVBQESA-N 334.853 4.708 0 40 EJAB C[C@@H](NCc1ccccc1Cl)C(=O)Nc1ccc2ccccc2c1 58165430 YAGJQDSXUFHQRQ-CQSZACIVSA-N 338.838 4.610 0 40 EJAB Cc1ccc(NC(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)cc1C 72238579 RXIWHCHYHHUYOL-UHFFFAOYSA-N 341.794 4.624 0 40 EJAB CS[C@@H](C)c1cccc(NC(=O)N[C@H](C)c2c(C)noc2C)c1 72283392 OBTXRHLOSAHQOR-MFKMUULPSA-N 333.457 4.598 0 40 EJAB CC1(C)C[C@@H]2C[C@](C)(CN2c2ncnc3sc4c(c23)CCCC4)C1 100273400 ZXKKXZFPKWPHJY-XCLFUZPHSA-N 341.524 4.975 0 40 EJAB CC(=O)c1ccccc1OC(=O)c1cc(Cl)ccc1OC(C)C 113703752 DGBBAWAZPTWIEU-UHFFFAOYSA-N 332.783 4.549 0 40 EJAB O=C(Nc1cccc2cccnc12)c1ncc(-c2ccc(Cl)cc2)o1 206588421 RCZPNNNHNOOCIU-UHFFFAOYSA-N 349.777 4.796 0 40 EJAB COc1ccc([C@@H](CC(C)C)NC(=O)c2cc(C)ccc2C)cc1 223402979 VPQDIPMFZHYFDO-HXUWFJFHSA-N 325.452 4.829 0 40 EJAB CC[C@@H](NC(=O)Cc1ccc(Cl)cc1F)c1ccc(C)cc1C 223721941 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Cc1cccc2c(=O)cc(C(=O)Nc3ccc(Cl)cc3Cl)oc12 27995121 YZQWBPRYVYWXAJ-UHFFFAOYSA-N 348.185 4.661 0 40 EJAB CCc1ccc2oc(C(=O)Nc3ccc(NC(C)=O)cc3)c(C)c2c1 28403323 CCEKGDQQMGYNLL-UHFFFAOYSA-N 336.391 4.514 0 40 EJAB FC(F)(F)c1ccnc(Nc2cccc(Nc3ccccc3)c2)n1 29525201 BOIDGHBFOFCBBW-UHFFFAOYSA-N 330.313 4.983 0 40 EJAB CC[C@H](NC(=O)COc1cccc2ccccc12)c1ccc(C)cc1 30854629 WUXHHIFEVFLZKF-FQEVSTJZSA-N 333.431 4.795 0 40 EJAB Cc1ccc(C(=O)CCC(=O)Nc2ccc(C)c3ncccc23)cc1C 31083796 BVCVEKNLIVYCAV-UHFFFAOYSA-N 346.430 4.762 0 40 EJAB Cc1cc(OCC(=O)Nc2cccc3c2CCCC3)cc(C)c1Cl 50012187 ZORJZRYDEFXEHN-UHFFFAOYSA-N 343.854 4.853 0 40 EJAB O=C(N1CCCCCC1)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 58202058 PZZMTVZQDXOCJS-MGAZVUHYSA-N 337.507 4.927 0 40 EJAB C[C@@H](c1ccccc1Cl)N(CC(=O)Nc1ccccc1)C1CC1 59334061 MUIJJAQNBWDMNX-AWEZNQCLSA-N 328.843 4.504 0 40 EJAB CC(=O)c1c(F)cccc1NCCc1coc(-c2ccc(C)cc2)n1 78727513 GKHIPSZEQHUZNQ-UHFFFAOYSA-N 338.382 4.646 0 40 EJAB O=C(c1cc(F)cc(F)c1)N1[C@H]2CC[C@H]1CC(c1ccc(F)cc1)C2 100166322 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C[C@@H]1CCc2nc(NC(=O)c3ccc(Cl)cc3Cl)sc2C1 567893 PWIFMKIJSUPSAI-MRVPVSSYSA-N 341.263 4.827 0 40 EJAB O=C(CC(c1ccccc1)c1ccccc1)NCCc1ccccc1 1006349 FYCAHIYUAWHOMF-UHFFFAOYSA-N 329.443 4.568 0 40 EJAB COc1ccc(SCC(=O)Nc2ccc(Cl)cc2Cl)cc1 1402839 NPDFHPMUPDAOGG-UHFFFAOYSA-N 342.247 4.733 0 40 EJAB CCOc1ccc([C@](C)(CC)c2cc3c(cc2OCC)OCO3)cc1 1588750 LCDHUEOBNHBWGN-NRFANRHFSA-N 342.435 4.929 0 40 EJAB Cc1sc2nc(-c3cccnc3)nc(N[C@H](C)C(C)C)c2c1C 3455518 UEPRMEYLMRRZNR-GFCCVEGCSA-N 326.469 4.827 0 40 EJAB Cc1ccc2nc(NC(=O)COc3cccc4ccccc34)sc2c1 3592126 QHOQYRXYDSVYOM-UHFFFAOYSA-N 348.427 4.775 0 40 EJAB Cc1cccc(C(C)C)c1NC(=O)CSc1nc2ccccc2o1 3618921 NIAJXNVTULVRQX-UHFFFAOYSA-N 340.448 4.990 0 40 EJAB CC(=O)Nc1ccc(NC(=S)Nc2ccc(C(C)C)cc2)cc1 5559592 KYRRLMKJAPEXTK-UHFFFAOYSA-N 327.453 4.577 0 40 EJAB CC[C@H](C)N(CCCNc1cc(OC)cc2cccnc12)CC(C)C 5846377 WHPDJWYEVDVBJH-KRWDZBQOSA-N 343.515 4.802 0 40 EJAB CCCC(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 6050733 LUBQQKJGBQHVQG-UHFFFAOYSA-N 338.451 4.975 0 40 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4.875 0 40 EJAB O=C(O)c1cccc2c1N[C@@H](c1ccccc1)[C@@H](c1ccccc1)N2 22115707 CGCADNMILNKOBY-MOPGFXCFSA-N 330.387 4.705 0 40 EJAB COCCN(Cc1cccs1)C(=O)Nc1cccc2ccccc12 22380532 VDKDCFSAFPRDQY-UHFFFAOYSA-N 340.448 4.582 0 40 EJAB CC(C)c1ccc(OC[C@@H](C)NC(=O)c2cccc(Cl)c2)cc1 28293372 VJWMGQJGWSAKGD-CQSZACIVSA-N 331.843 4.661 0 40 EJAB C[C@H]1c2ccsc2CCN1C(=O)c1ccc(OC2CCCC2)cc1 31897165 GYXXTFMZJKVAQL-AWEZNQCLSA-N 341.476 4.829 0 40 EJAB CCc1ccc([C@@H](C)NCC(=O)Nc2ccc(C)cc2Cl)cc1 32664949 GHGLQBQYPWCLSO-CQSZACIVSA-N 330.859 4.500 0 40 EJAB COc1ccc(Nc2ccc(NC(=O)Cc3ccsc3)cc2)cc1 32845133 PGDXZEXZUDIQPI-UHFFFAOYSA-N 338.432 4.682 0 40 EJAB O=C(O)C/C(=C/c1ccc(F)c(F)c1)c1nc2ccccc2s1 36739931 IBMOSFNSPJJIDF-XFFZJAGNSA-N 331.343 4.590 0 40 EJAB Cc1c(-c2ccc(Br)cc2)nc2sc(C(C)C)nn12 40963582 YLOUAQTXUGMSCU-UHFFFAOYSA-N 336.258 4.652 0 40 EJAB COc1cc(NC(=O)Nc2ccc(C)c(C)c2)c(OC)cc1Cl 51354191 XQIJLRFMINLLIJ-UHFFFAOYSA-N 334.803 4.618 0 40 EJAB CC[C@@H](NC(=O)N[C@@H]1CCCOc2ccc(F)cc21)c1cccs1 54783219 RSGVVVAKOLFAKS-HUUCEWRRSA-N 348.443 4.551 0 40 EJAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NCc1cccc2ccccc12 222877907 OKHRFBIVKYYYPB-OAQYLSRUSA-N 333.431 4.622 0 40 EJAB CC[C@@H](Oc1ccccc1C)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 223218930 TYHZQHIYBDWSDL-OXQOHEQNSA-N 337.463 4.519 0 40 EJAB Cc1cc(O[C@H](Cc2ccc(C(C)C)cc2)C(=O)O)ccc1Cl 225045733 ODHIIENUDQXLIY-GOSISDBHSA-N 332.827 4.847 0 40 EJAB CCCOC1(C(=O)Nc2ccc(OCC)c(C)c2)CCCCCC1 225659969 AIUAYZRMXNIAEM-UHFFFAOYSA-N 333.472 4.852 0 40 EJAB CC[C@H](NC(=S)Nc1ccc(OC)cc1)c1ccc(C)c(C)c1 225709794 VEFROWHVEKUSIV-SFHVURJKSA-N 328.481 4.750 0 40 EJAB CN1[C@H](c2ccccc2)C[C@H](O)[C@H](c2ccccc2)[C@H]1c1ccccc1 245380446 ZIIZMWKPNMCHTR-NEWJYFPISA-N 343.470 4.949 0 40 EJAB Cc1nc(CCCC(=O)N2CC[C@H](CC(C)(C)C)C2(C)C)cs1 622709229 BYSFONQEQWZHEE-OAHLLOKOSA-N 336.545 4.838 0 40 EJAB CC1=C(C)C[C@H]2C(=O)N(c3ccc(Oc4ccccc4)cc3)C(=O)[C@H]2C1 576055 VWNRCICHKVIWDF-BGYRXZFFSA-N 347.414 4.715 0 40 EJAB CCCCCNCCCCCNc1cc(OC)cc2cccnc12 1684910 ODVDHEZGQJWRFN-UHFFFAOYSA-N 329.488 4.605 0 40 EJAB Cc1ccc(SCC(=O)Nc2ncc(Cl)cc2Cl)c(C)c1 2658073 CPYBFSKNGHYGCM-UHFFFAOYSA-N 341.263 4.736 0 40 EJAB Cc1nc2c3ccccc3nc(SCc3ccc(Cl)cc3)n2n1 2968898 MUYSVCUDCCFGFB-UHFFFAOYSA-N 340.839 4.532 0 40 EJAB Cn1c(-c2ccc(Cl)c(Cl)c2)cnc1NC(=O)c1ccccc1 4678213 ZWWOTPFETFQEPD-UHFFFAOYSA-N 346.217 4.646 0 40 EJAB c1ccc(Cc2nnc(C(c3ccccc3)c3ccccc3)o2)cc1 5603738 GDVFGZDODQSATI-UHFFFAOYSA-N 326.399 4.841 0 40 EJAB Cc1c(OCc2nnc(S)n2-c2ccccc2)ccc2ccccc12 6571341 YIDZYPZOWOPWQB-UHFFFAOYSA-N 347.443 4.597 0 40 EJAB Cc1ccc(-c2nnn3c2nc(NC2CCCC2)c2ccccc23)cc1 6738894 KFVIQRUXMCJNAL-UHFFFAOYSA-N 343.434 4.607 0 40 EJAB Fc1ccc(SCc2nc(-c3ccc(Cl)cc3)no2)cc1F 7806992 JJXUOIQGWPBYEX-UHFFFAOYSA-N 338.766 4.961 0 40 EJAB O=[P@]1(Oc2ccccc2)OC[C@@H]2S[C@H](c3ccccc3)C[C@@H]2O1 8665644 RTCKBOBBKWDKGC-ACTFIFLWSA-N 348.360 4.836 0 40 EJAB CCOc1ccc2nc(NC(=O)Nc3ccc(Cl)cc3)sc2c1 9111593 VOSUGXHKJXEDGL-UHFFFAOYSA-N 347.827 4.992 0 40 EJAB Cc1ccccc1OCc1nnc(SCc2ccccc2Cl)o1 9198455 QSWBZIZPKGPHQH-UHFFFAOYSA-N 346.839 4.903 0 40 EJAB CCOc1ccccc1NCC(=O)Nc1ccc([C@H](C)CC)cc1 9338537 WIVQYZLRURVATK-OAHLLOKOSA-N 326.440 4.649 0 40 EJAB O=C(/C=C/c1ccccc1Cl)NCCSCc1ccccc1F 10280125 ALJBPSRNJFABQW-MDZDMXLPSA-N 349.858 4.542 0 40 EJAB CCOc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3)no2)cc1 11915171 DHHGDVYUVQJLJL-UHFFFAOYSA-N 342.782 4.646 0 40 EJAB CN(Cc1ccc(F)cc1)C(=O)c1ccc(COc2ccccc2)cc1 12768171 SLVVMWNOJBGSRK-UHFFFAOYSA-N 349.405 4.677 0 40 EJAB Fc1ccccc1SC[C@H]1CSc2nnc(-c3ccccc3)n21 12898152 HJXMUGGKOJVZOY-ZDUSSCGKSA-N 343.452 4.523 0 40 EJAB CCCc1cc(C(=O)Nc2cnc3c(cnn3C(C)C)c2)sc1C 12912168 LBMRIXWCSRJGKM-UHFFFAOYSA-N 342.468 4.587 0 40 EJAB COc1ccccc1[C@@H](C)NC(=O)Cc1ccc(-c2ccccc2)cc1 15471898 YIKZQLWQAKPYDL-QGZVFWFLSA-N 345.442 4.782 0 40 EJAB CCOc1ccc([C@@H](C)NC(=S)Nc2ccccc2)cc1OCC 16317259 WUXCMMCERRZRGC-CQSZACIVSA-N 344.480 4.532 0 40 EJAB Cc1ccc2cc3c(nc2c1C)OC(=O)N(Cc1ccc(F)cc1)C3 19234315 KLLOLQDNESKUOD-UHFFFAOYSA-N 336.366 4.505 0 40 EJAB COc1ccccc1CN[C@@H](Cc1cccs1)c1nc(C)cs1 19240104 WVXWLZZFNWPMTB-INIZCTEOSA-N 344.505 4.595 0 40 EJAB Cc1ccc(SCCNC(=O)[C@@H](C)SCc2ccccc2)cc1 20238726 CTDPMUBNRLGOHP-MRXNPFEDSA-N 345.533 4.525 0 40 EJAB CC(C)COc1ccc(C(=O)Nc2nc3c(s2)C[C@H](C)CC3)cc1 21149712 ODLJQJJELQJYMS-CYBMUJFWSA-N 344.480 4.555 0 40 EJAB Cc1[nH]c2ccc(C(=O)N(Cc3ccccc3F)C3CC3)cc2c1C 21934627 PODJZYYREXWILA-UHFFFAOYSA-N 336.410 4.729 0 40 EJAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H]1CCCc2ccccc21 22515129 IZZGWODHWTYIQI-OPAMFIHVSA-N 345.442 4.801 0 40 EJAB COc1ccccc1[C@H](C)N(C)C(=S)Nc1ccc(C)c(F)c1 32809279 MKLSOQFGRJUGOT-ZDUSSCGKSA-N 332.444 4.533 0 40 EJAB Cc1cc(C(=O)N[C@H](C)c2cccc(Br)c2)sc1C 36391439 YDCCMGDPALZBHY-SNVBAGLBSA-N 338.270 4.618 0 40 EJAB Cc1noc2nc(-c3cccc(OC(F)F)c3)cc(C(F)(F)F)c12 36617461 JBNDXGKYUFPWIY-UHFFFAOYSA-N 344.239 4.818 0 40 EJAB CCCCOc1ccc(NC(=O)N[C@H](C)Cc2cccs2)cc1 38489518 CKMKWQCZNDCQEO-CQSZACIVSA-N 332.469 4.680 0 40 EJAB O=C(CCN(Cc1ccco1)C1CCCC1)Nc1ccccc1Cl 48299959 XMRGSJWNIDEYAX-UHFFFAOYSA-N 346.858 4.706 0 40 EJAB CCc1ccc2c(CN3CCC[C@@H]3c3cccs3)cc(=O)oc2c1 57758631 QGZJQNMNRUCDNJ-QGZVFWFLSA-N 339.460 4.754 0 40 EJAB COc1ncccc1NC(=O)c1cc2sc3ccccc3c2s1 65492805 PLMWSLBXRMDNFO-UHFFFAOYSA-N 340.429 4.772 0 40 EJAB CC(C)(C)C(=O)N1CCCCC[C@@H]1c1cc(-c2ccc(F)cc2)on1 72338409 ICDOOYTUDNMENZ-QGZVFWFLSA-N 344.430 4.971 0 40 EJAB c1csc(CN2CCC3(CC2)CCN(Cc2cccs2)CC3)c1 96047184 GKWNYQFOBIJVKO-UHFFFAOYSA-N 346.565 4.688 0 40 EJAB COc1ccccc1[C@@H](C)N[C@@H](c1ccncc1)c1ccc(F)cc1 96477237 KQRAZMLBPRLNLZ-QVKFZJNVSA-N 336.410 4.670 0 40 EJAB CC1(C)CC(=O)C([C@H]2c3ccccc3Oc3ccc(F)cc32)C(=O)C1 101350981 XMZZHNKHWOQKMH-IBGZPJMESA-N 338.378 4.638 0 40 EJAB Cc1cc(C)nc(Nc2ccc(C(=O)Nc3c(C)cccc3C)cc2)n1 170569479 TUPRWTWEQOESOK-UHFFFAOYSA-N 346.434 4.706 0 40 EJAB NN1C(=S)N=C2/C(=C/c3ccccc3)CCC[C@H]2[C@@H]1c1ccccc1 200200353 DEBGZKKWACVPLZ-HFRUMSELSA-N 347.487 4.527 0 40 EJAB O=C1S/C(=C/c2cccc(Cl)c2)C(=O)N1Cc1ccccc1F 214367081 YJGDAVHHIXPMIE-OQLLNIDSSA-N 347.798 4.716 0 40 EJAB CC[C@H](NC(=O)c1ccccc1OC(C)C)c1ccc(C)cc1C 219745655 KBYUEBCIFUKSIO-IBGZPJMESA-N 325.452 4.972 0 40 EJAB CC(C)c1ccc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1 222558178 SWAVXGWNCSWPMS-JVPBZIDWSA-N 337.492 4.794 0 40 EJAB C[C@H](Oc1cccc2c1CCCC2)C(=O)N[C@H]1CCCc2ccccc21 224149608 ROIBGNYGQHPGFA-KKSFZXQISA-N 349.474 4.527 0 40 EJAB CCc1ccc(CC(=O)N[C@H](CC(C)C)c2ccc(OC)cc2)cc1 224697851 BIWQTQCRCWCDOG-OAQYLSRUSA-N 339.479 4.704 0 40 EJAB CCNc1cc(C)c2oc(-c3cccc(Br)c3)nc2c1 226283474 VUFDZSAGDXKHPI-UHFFFAOYSA-N 331.213 4.998 0 40 EJAB CC[C@H](C)N1C(=O)S/C(=C/c2ccc(Cl)c(Cl)c2)C1=O 409010723 DFVDMAAKGRKJNE-OTIXFSKASA-N 330.236 4.828 0 40 EJAB O=C(NCc1cncc(C2CC2)c1)c1ccc(-c2cccs2)cc1 575619701 MKZHUWXZBRQPAV-UHFFFAOYSA-N 334.444 4.618 0 40 EJAB Clc1ccc(-c2nc(NCc3cccnc3)c3ccccc3n2)cc1 112197 JVKUZQYGQLXVBT-UHFFFAOYSA-N 346.821 4.957 0 40 EJAB Cc1cccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)c1 190410 BFAZKDZNMRHORZ-UHFFFAOYSA-N 327.387 4.791 0 40 EJAB COc1ccc(CCCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 361028 MICHJIHLLQPKJZ-UHFFFAOYSA-N 338.234 4.963 0 40 EJAB O=C(OC(c1ccccc1)c1ccccc1)c1cc(Cl)ccc1O 524007 CBUILUXQEKSUJQ-UHFFFAOYSA-N 338.790 4.992 0 40 EJAB Cc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)n3ncnc3N2)cc1C 2919581 NIKLQXANSVAIHM-QZTJIDSGSA-N 338.842 4.695 0 40 EJAB CCOC(=O)c1sc(NC(=O)c2ccc(C(C)C)cc2)cc1C 3236023 HCWVUFBTCNOAKX-UHFFFAOYSA-N 331.437 4.609 0 40 EJAB CC(C)Sc1nnc(-c2ccccc2F)n1Cc1ccccc1 3334100 CRQNOXWONKUBLK-UHFFFAOYSA-N 327.428 4.633 0 40 EJAB O=C(NCc1ccco1)c1oc2ccccc2c1COc1ccccc1 3479092 JFWKQNUIWIGIKR-UHFFFAOYSA-N 347.370 4.535 0 40 EJAB CCn1cc(SCC(=O)Nc2ccc(F)cc2F)c2ccccc21 4060520 IWIRXASWFUIMCH-UHFFFAOYSA-N 346.402 4.670 0 40 EJAB Cc1ccc(-c2csc(NC(=O)Cn3ccc4ccccc43)n2)cc1 6390847 NXZKZMZOYGVASS-UHFFFAOYSA-N 347.443 4.712 0 40 EJAB CCCCc1ccc(NC(=O)CN2Cc3cc(C)c(C)cc3C2)cc1 6653019 GQBWBCDPRBAOPL-UHFFFAOYSA-N 336.479 4.600 0 40 EJAB COC(=O)c1c(NC(=S)Nc2cc(C)cc(C)c2)sc(C)c1C 6792822 QOWDEKRGMOFVBF-UHFFFAOYSA-N 348.493 4.577 0 40 EJAB c1csc(-c2nc(Oc3ccc4c(c3)OCO4)c3ccccc3n2)c1 7782035 BRWBXXJFZQMOOQ-UHFFFAOYSA-N 348.383 4.879 0 40 EJAB Cc1ccc(NC(=O)c2ccc(COc3ccccc3)cc2)c(F)c1 8393037 IKNKULFUZKQDKM-UHFFFAOYSA-N 335.378 4.965 0 40 EJAB CC(C)COc1ccc(C(=O)Nc2nc3ccc(F)cc3s2)cc1 9141207 IZEMMZFPPCPUPL-UHFFFAOYSA-N 344.411 4.723 0 40 EJAB COc1cccc(NC(=O)N(C2=NCCC2)c2cccc(C)c2C)c1 9316167 XFQUCJNJMHMZJH-UHFFFAOYSA-N 337.423 4.543 0 40 EJAB C[C@@H]1CCCC[C@@]12CCc1cc3c4c(c(=O)oc3cc1O2)CCCC4 9341927 RYANGRYRTYPUCU-JLCFBVMHSA-N 338.447 4.946 0 40 EJAB CC(C)Oc1cccc(NC(=O)COc2ccc(C(C)C)cc2)c1 10715423 VAHACGBYCDWZKS-UHFFFAOYSA-N 327.424 4.615 0 40 EJAB Cc1ccc(-c2cnc(CCC(=O)Nc3ccc(C)c(F)c3)o2)cc1 11428707 ATSONRMNNDQOGI-UHFFFAOYSA-N 338.382 4.669 0 40 EJAB O=C(Nc1nc2ncccc2cc1-c1ccccc1)c1ccccc1 11695919 IQIAMTBGACTCEM-UHFFFAOYSA-N 325.371 4.549 0 40 EJAB Cc1ccc(CNc2ncc(-c3ccncc3)c(-c3ccoc3C)n2)o1 12223319 FEZBRSCUUIGOKU-UHFFFAOYSA-N 346.390 4.621 0 40 EJAB C[C@H](NC(=O)c1ccccc1C(F)(F)F)c1cccc(Cl)c1 16018197 ZXDJHKUYXXEVFD-JTQLQIEISA-N 327.733 4.850 0 40 EJAB Cc1ccc(-n2ncc3c(NC4CCCCCC4)ncnc32)cc1C 17120382 BBLPCVNPRPJVSI-UHFFFAOYSA-N 335.455 4.567 0 40 EJAB c1ccc([C@H](CNCCN2CCCCCC2)C2CCCCC2)cc1 19365477 WBVPCUCDHWCFHA-QFIPXVFZSA-N 328.544 4.816 0 40 EJAB Cc1ccc(C)c(NC(=O)Nc2ccc(-n3cc(Cl)cn3)cc2)c1 28220181 FTUHXLCGKPEDMI-UHFFFAOYSA-N 340.814 4.787 0 40 EJAB O=C(c1ccc(-c2ccccc2)cc1)N1CCO[C@@H](c2ccccc2)C1 30765244 AUTKZEJTPGSHBN-JOCHJYFZSA-N 343.426 4.567 0 40 EJAB Cc1ccc(-c2noc(-c3ccc(NC(=O)CC(C)C)cc3)n2)cc1 32623031 SOZGQHAEKMUSLV-UHFFFAOYSA-N 335.407 4.697 0 40 EJAB CC[C@H](Oc1ccccc1Cl)C(=O)N[C@H](C)c1ccc(C)cc1 38771994 LXHSVDLGQJSAMR-PBHICJAKSA-N 331.843 4.683 0 40 EJAB OC1=NC(=S)S/C1=C/c1ccccc1OCc1ccccc1F 59224813 VAUBEHTZHCKKIM-OQLLNIDSSA-N 345.420 4.734 0 40 EJAB CCOC(=O)c1ccc(NC(=O)/C=C/c2cc3ccc(C)cc3o2)cc1 67339735 HKDORMSLFDKZKJ-ZHACJKMWSA-N 349.386 4.570 0 40 EJAB COc1ccc([C@@H]2CC(O)=Nc3c2cnn3C(C)C)c2ccccc12 71283721 SNNYYBWEHWZCKC-INIZCTEOSA-N 335.407 4.749 0 40 EJAB CC[C@@H](C)Nc1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)cn1 72213553 GLABRFUAESHSMK-ZBFHGGJFSA-N 333.476 4.754 0 40 EJAB Fc1ccc(Cc2cccc([C@H]3CCCN3Cc3ccccn3)n2)cc1 72357711 RQGQKYUMPYOPLS-JOCHJYFZSA-N 347.437 4.544 0 40 EJAB CCc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccc(C)cc2C)cc1 78458698 JCKVCXGOHDOFRS-SJORKVTESA-N 325.452 4.511 0 40 EJAB Cc1cc2cc(NC(=O)c3ccc(Cl)c4cccnc34)ccc2[nH]1 89610720 UGYIYRGRSQGYNF-UHFFFAOYSA-N 335.794 4.930 0 40 EJAB C[C@H](N[C@@H]1CCCCc2ccccc21)c1ccc([S@@](C)=O)cc1 95421537 JCBDULRIUOTXOK-NQKDMWHGSA-N 327.493 4.542 0 40 EJAB CCCCCc1ccc([C@H](CC)N[C@H](C)c2nnc3n2CCC3)cc1 95940746 GNKRTYNTCIBSJZ-APWZRJJASA-N 340.515 4.759 0 40 EJAB COc1ccc(Cl)c(NC(=O)c2sccc2SC(F)F)c1 107131325 ZAERDGGXPCVBLA-UHFFFAOYSA-N 349.811 4.977 0 40 EJAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N[C@H]1CCCc2ccccc21 113970356 MGQLYOIRUIFVRQ-LEWJYISDSA-N 337.463 4.655 0 40 EJAB CCOC(=O)/C=C/c1cc(Cl)c(OCc2ccccc2)c(OC)c1 146604105 XPHBYZVFQHUIIX-MDZDMXLPSA-N 346.810 4.504 0 40 EJAB CC(C)O[C@@H](Cc1cc(Cl)ccc1Oc1ccccc1)C(=O)O 225135211 BWMRQZGRIWWJRS-KRWDZBQOSA-N 334.799 4.553 0 40 EJAB Cc1noc(C)c1[C@@H](C)CC(=O)N1Cc2ccccc2-c2ccccc21 677135554 HDMHLOIFELVUBN-AWEZNQCLSA-N 346.430 4.999 0 40 EJAB CC1(C)CC[C@H](NC(=O)CCc2nccs2)[C@H](c2ccccc2)C1 1132684062 ZMDILBNJBJAKJE-IRXDYDNUSA-N 342.508 4.554 0 40 EJAB FC(F)(F)c1cc(-c2ccccc2)nc(NCCc2ccccc2)n1 213190 VTFXTQJESGPIEO-UHFFFAOYSA-N 343.352 4.817 0 40 EJAB COc1ccc(Oc2nc(-c3ccccc3O)nc3ccccc23)cc1 533310 BEUPWNJMJNPUNA-UHFFFAOYSA-N 344.370 4.803 0 40 EJAB Clc1ccc(OCCCSCc2nc3ccccc3[nH]2)cc1 2699516 PXXMZUJCFIOCEG-UHFFFAOYSA-N 332.856 4.919 0 40 EJAB Cc1ccc(Oc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 3012168 NGNPLODTCODMCP-UHFFFAOYSA-N 329.355 4.588 0 40 EJAB Cc1cccc(N(C(=O)Nc2ccccc2)C2=NCC(C)(C)S2)c1 3138659 RIVUCMUBZWXIQH-UHFFFAOYSA-N 339.464 4.915 0 40 EJAB O=C(CSCc1c(F)cccc1Cl)Nc1c(F)cccc1F 7094358 FFNVAIKCWZYCPL-UHFFFAOYSA-N 345.773 4.629 0 40 EJAB O=C1c2ccccc2N[C@@H](c2ccccc2Cl)N1Cc1ccco1 7112497 YJFKBSRQBMPVSS-GOSISDBHSA-N 338.794 4.700 0 40 EJAB Cc1ccc(Cl)cc1NC(=O)c1ccc(F)cc1Br 8061300 IBQQXCOEFCRSEO-UHFFFAOYSA-N 342.595 4.802 0 40 EJAB C[C@@H](Cc1cccs1)N(Cc1ccccc1)C(=O)c1ccco1 8345142 KIYOXSPVMDMJSF-HNNXBMFYSA-N 325.433 4.615 0 40 EJAB Cc1cc(C)cc(NC(=O)Cc2csc(-c3cccs3)n2)c1 8395206 NPKSALXULQSHDM-UHFFFAOYSA-N 328.462 4.670 0 40 EJAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1cccc(OC(C)C)c1 8481248 HZALQSZLSVEWFQ-IBGZPJMESA-N 327.424 4.578 0 40 EJAB Fc1ccccc1-n1c(C23CC4CC(CC(C4)C2)C3)n[nH]c1=S 8997198 QUVPZZSRXOPGFP-UHFFFAOYSA-N 329.444 4.537 0 40 EJAB S=C(NCc1ccccc1)c1ccccc1OCc1ccccc1 9188079 XJTIWLJVJPRQIM-UHFFFAOYSA-N 333.456 4.731 0 40 EJAB CSc1ccc(CC(=O)Nc2ccc3nc(C)sc3c2)cc1 10252239 MTOJZCIUVGUZPM-UHFFFAOYSA-N 328.462 4.508 0 40 EJAB Cc1noc(C)c1CSc1nc(-c2ccncc2)nc2ccccc12 12815701 CTYQTFRNKDLBTG-UHFFFAOYSA-N 348.431 4.589 0 40 EJAB O=C1Nc2cc(Cl)ccc2/C1=C\Nc1ccc(Br)cc1 13150301 WSTGLOBAEKRUBQ-MDWZMJQESA-N 349.615 4.508 0 40 EJAB CCc1cccc(CC)c1NC(=O)[C@H](CC)Oc1cccc(C)c1 20454660 RXRPHQAXWJMYNQ-IBGZPJMESA-N 325.452 4.916 0 40 EJAB CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(Cl)cc1Cl 20460124 SATQACFZFKWOII-NSHDSACASA-N 338.234 4.962 0 40 EJAB CCc1ccc(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)s1 24831529 CXUJRSCVJONWFJ-AWEZNQCLSA-N 342.489 4.898 0 40 EJAB COc1ccc(C2=NN(c3ccccc3)[C@H](C=C(Cl)Cl)C2)cc1 34133597 ZKTVERJNTCOFQV-HNNXBMFYSA-N 347.245 4.997 0 40 EJAB CCc1ccc(NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)cc1 38835373 XRNBRQNVZWSCES-KRWDZBQOSA-N 336.479 4.733 0 40 EJAB COc1ccc(OCCCCn2c(C3CC3)nc3ccccc32)cc1 39907724 OWGGDVPUKSMACC-UHFFFAOYSA-N 336.435 4.782 0 40 EJAB Cc1cccc(Cl)c1NC(=O)c1cc(-c2cccc(Cl)c2)[nH]n1 57412662 RTOBZTKUKSSYCM-UHFFFAOYSA-N 346.217 4.944 0 40 EJAB O=C(CSCc1cccc(Cl)c1)N[C@H]1CCCc2ccccc21 58014150 TXOADUDLUXPDJQ-SFHVURJKSA-N 345.895 4.767 0 40 EJAB C[C@H]1CCCN(C(=O)N[C@H](c2ccccc2)c2cc3ccccc3o2)C1 84697472 JDKXIXWXHOYWSX-HRAATJIYSA-N 348.446 4.964 0 40 EJAB Cc1cccc([C@H]2CC(c3ccco3)=NN2C(=O)c2ccccc2F)c1 97165243 DGCXXHLPKIRZDI-LJQANCHMSA-N 348.377 4.719 0 40 EJAB COc1ccc([C@H]2c3sc(O)nc3S[C@@H]3[C@@H]4CC[C@H](C4)[C@H]23)cc1 100619931 NPIJXUGEZHABCE-OKNSCYNVSA-N 345.489 4.510 0 40 EJAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N[C@H](CC)c1ccccc1 113951465 HHQCQGGDNYKAQW-RTBURBONSA-N 325.452 4.728 0 40 EJAB O=C(c1cccs1)N1CCS[C@H](c2ccccc2Cl)CC1 208046587 HVKHZMZTCRJGPS-AWEZNQCLSA-N 337.897 4.722 0 40 EJAB CCOc1ccc(-c2nc3cc(N)cc(C)c3o2)cc1Br 216731707 URPZBRJUIKNWJJ-UHFFFAOYSA-N 347.212 4.547 0 40 EJAB Cc1ccc(CCCNC(=O)c2ccccc2SC(C)C)cc1 219654219 VGJFVTOWYNIEHY-UHFFFAOYSA-N 327.493 4.858 0 40 EJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1F 222870181 MQJJUMWJGDDRAN-LJQANCHMSA-N 327.399 4.501 0 40 EJAB CCc1ccc(O[C@@H](CC)C(=O)Nc2ccc(F)c(Cl)c2)cc1 222880323 ZVVZOABEHJZLII-KRWDZBQOSA-N 335.806 4.838 0 40 EJAB Cc1cccc([C@@H](NC(=O)CCc2ccccc2F)c2ccccc2)c1 225695565 WPBIDKMDKIEJMM-QHCPKHFHSA-N 347.433 4.973 0 40 EJAB CCOC1(C(=O)Nc2ccc(OC(C)C)c(C)c2)CCC(C)CC1 225721033 PYKWPXWNBMXHRX-UHFFFAOYSA-N 333.472 4.706 0 40 EJAB C[C@@H](O)c1ccc(NC(=O)c2ccc(OCc3ccccc3)cc2)cc1 226273592 QDAMJSKGWNPDMP-MRXNPFEDSA-N 347.414 4.571 0 40 EJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccccc3Cl)N21 260766013 IRFFMRJOANZFJP-DQYPLSBCSA-N 343.883 4.714 0 40 EJAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cccc(Cl)c3)S2)cc1 408775559 IMMBTLHCQYBVIP-MUMAZLPKSA-N 344.867 4.502 0 40 EJAB Clc1ccc(-c2cc(-c3ccccc3)n3ncnc3n2)cc1Cl 409052608 HGPRAUMYNHJGJY-UHFFFAOYSA-N 341.201 4.765 0 40 EJAB Fc1ccc(COc2cccc(N[C@@H]3CCC34CCOCC4)c2)cc1 548859159 IFSLDJIAKOGHRO-HXUWFJFHSA-N 341.426 4.776 0 40 EJAB O=C(NCc1ccc(-c2cccs2)o1)Nc1c(F)cccc1F 575607788 CRBDPGAYXPAWQG-UHFFFAOYSA-N 334.347 4.608 0 40 EJAB Cc1ccc(Nc2nc(-c3cc4ccccc4oc3=O)cs2)cc1 62538 PFWVPGQFMOYGSQ-UHFFFAOYSA-N 334.400 4.969 0 40 EJAB COc1ccc(NC(=O)C[C@@H](C(C)C)[C@@H]2CCOC(C)(C)C2)cc1 491178 HKQAZWUSSIHYBS-QAPCUYQASA-N 333.472 4.501 0 40 EJAB biogenic COc1cccc(-c2nc3nc4ccccc4nc3n2CCC(C)C)c1 534946 DFRAHYYPLRVHOQ-UHFFFAOYSA-N 346.434 4.701 0 40 EJAB Fc1ccc(-c2nnc(-n3cnc4ccccc43)c3ccccc23)cc1 4868190 BCNJIZRVUXCWFD-UHFFFAOYSA-N 340.361 4.775 0 40 EJAB Cc1ccc(/C=C/C(=O)Nc2ccc(Br)c(C)c2)cc1 6377283 RJVRQIFTZBUPRU-JXMROGBWSA-N 330.225 4.718 0 40 EJAB CN(C(=O)CCCOc1ccc(Cl)cc1Cl)c1ccccc1 6625551 HFNNFFOLUGQTRM-UHFFFAOYSA-N 338.234 4.815 0 40 EJAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccccc2Cc2ccccc2)c1 7344658 RPDXTYWOZZZWBI-SFHVURJKSA-N 345.442 4.992 0 40 EJAB Cc1cccc(NC(=O)Cc2csc(-c3ccsc3)n2)c1C 8007267 LIRMLXZXNXRGJA-UHFFFAOYSA-N 328.462 4.670 0 40 EJAB Cc1ccc2nc(-c3ccc(C)c(NC(=O)C(F)(F)F)c3)oc2c1 8053974 AMDHWHSJCGLGDY-UHFFFAOYSA-N 334.297 4.612 0 40 EJAB CCOc1cc(C=O)cc(Cl)c1OCc1c(F)cccc1Cl 8253931 WJAJSKBNYUNCLS-UHFFFAOYSA-N 343.181 4.923 0 40 EJAB CCCCc1ccc2nc(C)c(CN3CCC(C)CC3)c(O)c2c1 8717946 BCIDWGZQVFWKKW-UHFFFAOYSA-N 326.484 4.823 0 40 EJAB Cc1ccc(CS[C@H](C)C(=O)NCc2ccccc2Cl)cc1 9516621 CRYNXYCNLONROH-CQSZACIVSA-N 333.884 4.587 0 40 EJAB O=C(NCCc1ccc2oc3ccccc3c2c1)NC1CCCCC1 12360275 WKRVWCQXMCIOPG-UHFFFAOYSA-N 336.435 4.760 0 40 EJAB O=C1C[C@@H](c2ccc(OCc3ccccc3)cc2)c2sccc2N1 12376534 ZJDOFYUECICHLF-KRWDZBQOSA-N 335.428 4.801 0 40 EJAB Cc1ccc(NC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)nc1 12511461 BVSFQFCVWGWGHH-UHFFFAOYSA-N 340.467 4.943 0 40 EJAB S=C(Nc1ccc(Br)cc1Cl)NC1CCCCC1 13795149 WWWNCDOYNVJZMV-UHFFFAOYSA-N 347.709 4.722 0 40 EJAB COc1ccccc1NC(=O)c1ccccc1OCc1ccccc1 14035506 ZEWVUSAIIPCVDD-UHFFFAOYSA-N 333.387 4.527 0 40 EJAB Cc1cc(C)n(-c2ccc(C(=O)Nc3cccc(Cl)c3F)cc2)n1 15997383 FYKSDVBZGWLANR-UHFFFAOYSA-N 343.789 4.534 0 40 EJAB O=C(Nc1ccc(F)cc1)c1cccnc1Nc1ccccc1Cl 22053899 KYTJIMOZWXQLRS-UHFFFAOYSA-N 341.773 4.870 0 40 EJAB Cc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)C(C)C)c1 27793834 KYERDBVAXNNYFS-UHFFFAOYSA-N 336.391 4.588 0 40 EJAB Cc1cccc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)c1C 27795627 DANCBVITGSQGHA-UHFFFAOYSA-N 326.783 4.864 0 40 EJAB CCc1ccc(-c2csc(NC(=O)C=C(C)C)c2C(=O)OC)cc1 28048203 JDHDVDULAXEMGW-UHFFFAOYSA-N 343.448 4.669 0 40 EJAB CCCCc1ccc(NC(=O)[C@H](C)Oc2ccccc2CC)cc1 30755923 NUJFFTKVNMNYIW-INIZCTEOSA-N 325.452 4.998 0 40 EJAB O=C(NCc1ccc(C(F)(F)F)cc1)Nc1ccccc1Cl 44845554 SICDKLUXQVSCBU-UHFFFAOYSA-N 328.721 4.681 0 40 EJAB CC(C)n1ccc(C[S@@](=O)[C@@H](C)c2ccc(Cl)c(Cl)c2)n1 95418337 PYMISHCUFFJWAX-MQJDWESPSA-N 345.295 4.781 0 40 EJAB O=C(Nc1ccccc1)O[C@@H]1[C@@H]2CCC[C@@H]1[C@H](N1CCCCC1)CC2 100400206 LURDPRCEUSFKGO-VBSBHUPXSA-N 342.483 4.668 0 40 EJAB CCCCOCc1cc(C(=O)Nc2cccc(F)c2)ccc1OCC 224726048 DRSKTMNGFLCVGI-UHFFFAOYSA-N 345.414 4.793 0 40 EJAB CCOC1(C(=O)Nc2ccc(OC3CCCC3)c(C)c2)CCCCC1 225710052 ILFPRVALSVNNEL-UHFFFAOYSA-N 345.483 4.994 0 40 EJAB Nc1cc(NC(=O)c2cccc3ccccc23)ccc1N1CCCCC1 226263186 PLKHAHXEHWGQTI-UHFFFAOYSA-N 345.446 4.665 0 40 EJAB CCCCOc1ccc(C(=O)Nc2c(C)cc(N)cc2Cl)cc1 226763333 LCGAGVSMPQIMRM-UHFFFAOYSA-N 332.831 4.662 0 40 EJAB CN(Cc1c(F)cccc1F)C(=O)C(C)(C)c1cccc(Cl)c1 512001770 LGDJDEXMEPKPJO-UHFFFAOYSA-N 337.797 4.554 0 40 EJAB CN(C(=O)NC1(Cc2ccc(Cl)cc2)CCC1)c1ccc(F)cc1 1622189727 MSRMYOZVKLOGJH-UHFFFAOYSA-N 346.833 4.790 0 40 EJAB COc1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 356982 BWELSLYXVUPRDX-UHFFFAOYSA-N 344.823 4.724 0 40 EJAB C[C@H](OC(=O)C[C@H](c1ccccc1)N1CCCCC1)c1ccccc1 1569403 WWFXXOLLBWVWJA-GHTZIAJQSA-N 337.463 4.908 0 40 EJAB O=C(c1ccc(CN2CCCC2)cc1)c1ccc(C(F)(F)F)cc1 2514578 RYOTWJOGQUDWNE-UHFFFAOYSA-N 333.353 4.532 0 40 EJAB O=C(Nc1ccc(SC(F)F)cc1)c1cnc(Cl)c(Cl)c1 2632363 BGPZCFIHBWELPK-UHFFFAOYSA-N 349.189 4.955 0 40 EJAB O=C(CSc1cc(Cl)ccc1Cl)N1CCc2ccccc21 3329370 SPNMBASVFMDEHV-UHFFFAOYSA-N 338.259 4.675 0 40 EJAB Cc1cccc(O[C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)c1 3606904 FFLPNPJLJPHGNM-SFHVURJKSA-N 345.442 4.668 0 40 EJAB C[C@]12C=CC(=O)C(Cl)=C1CC[C@H]1[C@@H]3CC[C@](C)(O)[C@@]3(C)CC[C@H]12 4026418 AGUNEISBPXQOPA-FVKCKQMLSA-N 334.887 4.612 0 40 EJAB biogenic CCC(=O)Nc1c(C(=O)Nc2ccc(CC)cc2)oc2ccccc12 4341955 VVWTZILSKLMLIK-UHFFFAOYSA-N 336.391 4.596 0 40 EJAB Cc1ccccc1C(=O)Nc1ccc(F)cc1C(=O)Cc1ccccc1 4761516 KSYMWACPTXXAPL-UHFFFAOYSA-N 347.389 4.812 0 40 EJAB C[C@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 5235439 RBWGKDKKNHJEOR-HWPZZCPQSA-N 333.218 4.883 0 40 EJAB Cc1ccc(NC(=O)Cc2csc(-c3ccccc3)n2)cc1Cl 5560296 JHAXOQVWUZYTQY-UHFFFAOYSA-N 342.851 4.953 0 40 EJAB O=C(NC1CCCCCCC1)c1cc(Br)ccc1Cl 6393851 XJFBVNGACGICQU-UHFFFAOYSA-N 344.680 4.945 0 40 EJAB Cc1ccc(CN2C(=O)c3ccccc3N[C@@H]2c2ccc(C)o2)cc1 7883956 SEEHFGTUFDHJFB-FQEVSTJZSA-N 332.403 4.663 0 40 EJAB CCNCc1cc(Cl)c(OCc2ccccc2F)c(OCC)c1 8227193 AVCBTFBUPGSYOF-UHFFFAOYSA-N 337.822 4.566 0 40 EJAB CC(C)(C)C1CCC(C(=O)Nc2ccc(/C=C/C(=O)O)cc2)CC1 12775511 DFFXPWOIIFFAMZ-AWNIVKPZSA-N 329.440 4.575 0 40 EJAB CC(=O)Nc1cccc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)c1 14492079 NXZSFWZAINRRTN-SOFGYWHQSA-N 349.217 4.604 0 40 EJAB O=C(c1ccc(Cl)cc1)N1CCC[C@H]1c1nc2ccccc2s1 15646796 ONIJYMKHEDVDQG-HNNXBMFYSA-N 342.851 4.927 0 40 EJAB CC1=NN(c2ccccc2)C(=O)[C@H]1C(c1ccccc1)c1ccccc1 16607748 LUTURLOKPRAOAC-OAQYLSRUSA-N 340.426 4.857 0 40 EJAB CC[C@H](NC(=O)[C@@H](C)SCc1ccccc1)c1ccc(OC)cc1 20484401 PZLZYIPZPHJEDY-BEFAXECRSA-N 343.492 4.584 0 40 EJAB Cc1ccc(Nc2nn(-c3ccc(F)cc3)c3c2C(=O)CCC3)cc1 20672119 MGFRFLCOKDYJOS-UHFFFAOYSA-N 335.382 4.582 0 40 EJAB COc1ccc2cc([C@H](C)C(=O)N[C@@H]3CCCC[C@H]3C)ccc2c1 21875484 KZVJJENLDZNITF-QEEYODRMSA-N 325.452 4.647 0 40 EJAB COCc1cccc(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)c1 29144942 CQHMWBIVPFJDKY-LBPRGKRZSA-N 335.856 4.606 0 40 EJAB O=C(c1ccc(Br)cc1)c1ccc(C(F)(F)F)cc1 32222344 WBTNCOKTRQISPJ-UHFFFAOYSA-N 329.115 4.699 0 40 EJAB O=C(CCC1CCCC1)Nc1nn(Cc2ccc(F)cc2)cc1Cl 32610359 LHWBKQMACAWVFF-UHFFFAOYSA-N 349.837 4.633 0 40 EJAB CCc1ccc(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)s1 32740775 VRZBYSZFIKLMEH-UHFFFAOYSA-N 329.421 4.604 0 40 EJAB Fc1ccc(CNc2nc3ccccc3n2Cc2ccc(F)cc2)cc1 35165564 JNCQVEDGQFGALE-UHFFFAOYSA-N 349.384 4.975 0 40 EJAB c1ccc(CCCSc2nnc(C3CC3)n2Cc2ccco2)cc1 40159144 SLPLUHXGNJDEOE-UHFFFAOYSA-N 339.464 4.522 0 40 EJAB CCC(=O)N1CCC[C@H](C(=O)Nc2c(C(C)C)cccc2C(C)C)C1 40554124 OLAILSDRRWRSIQ-INIZCTEOSA-N 344.499 4.521 0 40 EJAB C[C@@H](SC1=NCCS1)c1cccc(NC(=O)c2ccccc2)c1 58065339 PENNGRMJUXXHMQ-CYBMUJFWSA-N 342.489 4.836 0 40 EJAB COc1ccc(CN(Cc2ccc(C(F)(F)F)cc2)C2CC2)cc1 58289034 CEKDHIPFCUSXCS-UHFFFAOYSA-N 335.369 4.879 0 40 EJAB CN(Cc1ccc(-n2cccn2)cc1)Cc1cccc2ccccc12 58357684 BSUQVSIVLLETKJ-UHFFFAOYSA-N 327.431 4.658 0 40 EJAB Cc1cc(C)cc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(C)c(C)c2)c1 59351226 OXJVVDPOIHNDGW-MSOLQXFVSA-N 325.452 4.565 0 40 EJAB C[C@@H](Oc1ccccc1)C(=O)N(Cc1ccccc1)Cc1ccccc1 59369371 ISAMHSJARVPQOT-LJQANCHMSA-N 345.442 4.683 0 40 EJAB CCc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1 78458029 GZYJZHGJLGNOEQ-IAGOWNOFSA-N 325.452 4.511 0 40 EJAB CCCC(F)(P(=O)(OCC)OCC)P(=O)(OCC)OCC 199454452 SBVCBBCDPGCSOD-UHFFFAOYSA-N 348.288 4.942 0 40 EJAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NCCCc1ccccc1Cl 219587722 CGRNIJMBLXGGPH-LJQANCHMSA-N 345.870 4.555 0 40 EJAB Cc1cc(C)c([C@@H](C)NC(=O)[C@H](C)Oc2cccc(C)c2C)cc1C 223464693 TZVPAAXUAGEDRH-MOPGFXCFSA-N 339.479 4.873 0 40 EJAB Cc1cc(O[C@H](Cc2cccc(Cl)c2C)C(=O)O)ccc1Cl 225071092 VKVDATQWGZYGPB-MRXNPFEDSA-N 339.218 4.685 0 40 EJAB Cc1cccc(O[C@@H](Cc2ccc(Oc3ccccc3)cc2)C(=O)O)c1 225109109 NHZLFGFFARXHEC-NRFANRHFSA-N 348.398 4.862 0 40 EJAB C[C@@H]1CCCCN1c1ccc(N)cc1NC(=O)c1cccc(Cl)c1 226254781 NHJYUBJFMLJNGR-CYBMUJFWSA-N 343.858 4.553 0 40 EJAB O=C1N(c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N2CCCN12 548442 CQOBLKLDYYWEQP-INIZCTEOSA-N 348.233 4.555 0 40 EJAB O=S(=O)(Nc1ccccc1Sc1ccccc1)c1ccccc1 562717 OIZFQBGEUJZVCU-UHFFFAOYSA-N 341.457 4.639 0 40 EJAB Cc1ccccc1SCC(=O)Nc1nc(-c2ccccc2)cs1 1392123 BUGYJBBVQKYAEC-UHFFFAOYSA-N 340.473 4.849 0 40 EJAB c1ccc(C[C@H](CCNCc2ccc3c(c2)OCO3)c2ccco2)cc1 2137579 MYFUARFSKYJVSQ-IBGZPJMESA-N 349.430 4.515 0 40 EJAB biogenic Clc1ccc(-c2csc(NC[C@@H]3CCCO3)n2)c(Cl)c1 3331447 CVTSHTKLJHDAGW-JTQLQIEISA-N 329.252 4.708 0 40 EJAB Sc1nc(-c2cccc(Cl)c2)nc2c1Cc1ccccc1O2 4315654 VIQKKOZEUCDHGN-UHFFFAOYSA-N 326.808 4.782 0 40 EJAB CCCCc1ccc2nc(NC(=O)COc3ccccc3)sc2c1 4776874 NJIJURBTHHWIAU-UHFFFAOYSA-N 340.448 4.656 0 40 EJAB O=C(Nc1ccc(N2CCCCC2=O)cc1)c1ccc2ccccc2c1 5441257 YRVVMUPVBRGDBW-UHFFFAOYSA-N 344.414 4.609 0 40 EJAB CC(C)(C)c1ccc(-c2cc3[nH]c(-c4ccccc4)cc(=O)n3n2)cc1 5714877 SZZTVFLZPKFYJV-UHFFFAOYSA-N 343.430 4.654 0 40 EJAB O=c1c(Cc2c(F)cccc2Cl)c(O)ccn1C1CCCCCC1 6057407 QRGPXPOQTCSCEF-UHFFFAOYSA-N 349.833 4.833 0 40 EJAB Fc1ccc(Sc2nc(-c3cccnc3)nc3ccccc23)cc1 7982620 IWRMLZMJQHXHLH-UHFFFAOYSA-N 333.391 4.982 0 40 EJAB Cc1cc(-c2csc(NC3CCCC3)n2)c(C)n1C[C@@H]1CCCO1 8192283 VVHQRSCDGUTUJC-INIZCTEOSA-N 345.512 4.762 0 40 EJAB CCn1c2ccccc2c2cc(NC(=O)c3c(C)noc3C)ccc21 8707973 KTTJABTVVRXDQA-UHFFFAOYSA-N 333.391 4.672 0 40 EJAB O=C(c1cccc(Cl)c1)N(C(=O)N1CCCCC1)c1ccccc1 9317734 FXOZQYNMBKZQCJ-UHFFFAOYSA-N 342.826 4.593 0 40 EJAB C[C@@H]1CC[C@](C)(C(=O)N(C)C(=O)[C@]2(C)CC[C@@H](C)C2(C)C)C1(C)C 13405270 BHUKNCSDHSSDAL-LYDRAKHJSA-N 335.532 4.896 0 40 EJAB biogenic Cc1cc(NC(=O)c2ccc3ccccc3c2)n(Cc2ccccc2)n1 13701376 XJNQDLUWSJPSMG-UHFFFAOYSA-N 341.414 4.645 0 40 EJAB C/C=C\c1cc(OC)c2c(c1)[C@@H](C)[C@H](c1ccc(O)c(OC)c1)O2 15153107 ITDOFWOJEDZPCF-MKPYAUAESA-N 326.392 4.680 0 40 EJAB COc1ccc(N[C@H](C)c2nnc(-c3ccccc3)o2)cc1Cl 15471471 PXSXEHZRGADEDF-LLVKDONJSA-N 329.787 4.572 0 40 EJAB CCc1ccccc1O[C@@H](C)C(=O)Nc1c(CC)cccc1CC 20035405 MZXIPGMJFHSDIU-HNNXBMFYSA-N 325.452 4.780 0 40 EJAB CC[C@H](C)c1ccc(NC(=O)C[C@@H](C(=O)O)c2ccc(F)cc2)cc1 25206318 UIRARYZNPMYLGD-SCLBCKFNSA-N 343.398 4.536 0 40 EJAB CSCc1cccc(C(=O)N[C@@H]2CCSc3c(F)cccc32)c1 28043234 QAIVOYMMRPRVMD-MRXNPFEDSA-N 347.480 4.656 0 40 EJAB Cc1noc(C)c1CNc1cc(C(F)(F)F)ccc1N1CCCC1 29400707 YCOZOHBNUYIDIQ-UHFFFAOYSA-N 339.361 4.523 0 40 EJAB CCc1cccc(CC)c1NC(=O)NCCc1c[nH]c2ccccc12 33630165 MBYXMXZKBZJLSW-UHFFFAOYSA-N 335.451 4.657 0 40 EJAB Fc1cccc(CSc2nccn3nc(-c4cccs4)cc23)c1 45925294 NNLFJNCAGQIORE-UHFFFAOYSA-N 341.436 4.889 0 40 EJAB CC(=O)Nc1cccc(Nc2nnc(SC3CCCCC3)s2)c1 57992213 OZFXKUXKABOMJB-UHFFFAOYSA-N 348.497 4.665 0 40 EJAB Cc1cc(NC(=O)c2cc(Cl)cc3cccnc23)ccc1N(C)C 59748437 QJDWNTIMFWKLRL-UHFFFAOYSA-N 339.826 4.515 0 40 EJAB FC1(F)Oc2cc(C(Cl)(Cl)Cl)ccc2O[C@@]1(F)Cl 91252138 GXUAHBYFHCLRCQ-MRVPVSSYSA-N 341.927 4.739 0 40 EJAB O=C(Cc1ccccc1Cl)N1CCS[C@H](c2ccccc2)CC1 208040637 KYWCHMGRRPGELH-SFHVURJKSA-N 345.895 4.589 0 40 EJAB CC(C)C[C@H](NC(=O)COc1cccc(Cl)c1)c1ccccc1 222769623 AYKMXOSERSEZQZ-SFHVURJKSA-N 331.843 4.622 0 40 EJAB Cc1cccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)c1 222947721 YRRCDPBWUKSXSF-SJORKVTESA-N 337.463 4.519 0 40 EJAB CCCOCc1cc(C(=O)Nc2cccc(C)c2)ccc1OCC 224704111 MPRHAGDNYVQIJC-UHFFFAOYSA-N 327.424 4.573 0 40 EJAB Cc1ccccc1CSCCNC(=O)CCc1ccc(Cl)cc1 225303537 WIISXXZAYTVDHQ-UHFFFAOYSA-N 347.911 4.631 0 40 EJAB COc1cccc(NC(=S)NC2(c3ccccc3C)CCCC2)c1 225846570 CMMCJUBKVUSCBF-UHFFFAOYSA-N 340.492 4.760 0 40 EJAB O=C([C@H]1CCCC(F)(F)C1)N(Cc1ccccn1)c1ccc(F)cc1 252491924 LZRCUIYHRMXVLN-AWEZNQCLSA-N 348.368 4.579 0 40 EJAB O=C(CCSc1ccccc1)NCCCc1cc2ccccc2o1 390830934 OLCQIMCELONMPA-UHFFFAOYSA-N 339.460 4.664 0 40 EJAB Cc1ccc(-c2cc(N)n3nc(C)c(-c4ccc(Cl)cc4)c3n2)cc1 408951574 LWWWQQGQOLYHDJ-UHFFFAOYSA-N 348.837 4.916 0 40 EJAB O=C(O)c1cc(Cl)c(Cl)cc1C(=O)Nc1ccc(Cl)cc1 191314 TYIPHQDBCFCNRB-UHFFFAOYSA-N 344.581 4.597 0 40 EJAB COc1nc(-c2ccccc2)ccc1-c1noc(-c2ccc(C)cc2)n1 498598 PGWMXXGGTSYPQB-UHFFFAOYSA-N 343.386 4.783 0 40 EJAB CCSc1nc2ccc(NC(=O)c3ccc(C)cc3)cc2s1 532517 UCJRRQUTGJKFRD-UHFFFAOYSA-N 328.462 4.969 0 40 EJAB Clc1ccc2nc(-c3ccncc3)c(NC3CCCCC3)n2c1 779116 NMBIPLSYIFLIRE-UHFFFAOYSA-N 326.831 4.794 0 40 EJAB COc1ccccc1NC(=O)COc1ccc(Oc2ccccc2)cc1 3189533 XOTIVKSFTRPXAT-UHFFFAOYSA-N 349.386 4.505 0 40 EJAB Cc1cccc(C(=O)Nc2nc3ccc4sc(C)nc4c3s2)c1 3893185 ZASKLEZMDLGGMF-UHFFFAOYSA-N 339.445 4.775 0 40 EJAB O=C(Nc1ccccc1)c1sc2cc3c(cc2c1Cl)OCO3 4656128 CJDJEUGKBPKGOG-UHFFFAOYSA-N 331.780 4.536 0 40 EJAB Cc1c(C(=O)Nc2nc3c(s2)CCCC3)oc2ccc(Cl)cc12 5243696 PPAQCQWNQBYESA-UHFFFAOYSA-N 346.839 4.982 0 40 EJAB CCCCSc1nc(-c2ccccc2)nc2c1COC(C)(C)C2 5307737 LOVXRGARLHFGIP-UHFFFAOYSA-N 328.481 4.887 0 40 EJAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cccnc1Cl 5944068 FVDKBSBOAJDZFQ-UHFFFAOYSA-N 335.112 4.660 0 40 EJAB c1ccc(CCCSc2nnc(-c3c[nH]c4ccccc34)o2)cc1 6028782 UHIULMDECYMJRR-UHFFFAOYSA-N 335.432 4.943 0 40 EJAB Cc1ccc2nc(NC(=O)CCc3ccccc3Cl)sc2c1 6651290 QUNKMPWFKCXQEV-UHFFFAOYSA-N 330.840 4.829 0 40 EJAB O=C(CSC1CCCC1)NC(c1ccccc1)c1ccccc1 7655883 KMLKJTULDSZQFZ-UHFFFAOYSA-N 325.477 4.568 0 40 EJAB COc1ccc(C(=O)N[C@@H](c2ccc(C)cc2)c2cccs2)cc1 7739548 GQYKPYGLWYHIRI-IBGZPJMESA-N 337.444 4.585 0 40 EJAB Cc1ccc(C(=O)CN(C2=NCCCC2)c2ccccc2C)c(C)c1 8410430 CTEWMKDAZAGVQY-UHFFFAOYSA-N 334.463 4.884 0 40 EJAB COc1cccc(CNc2ccccc2C(=O)Nc2ccccc2)c1 8429313 AHRHKMWNGIMSGD-UHFFFAOYSA-N 332.403 4.560 0 40 EJAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1cccc(Cl)c1 8706012 IJWABXUFSCSTBZ-UHFFFAOYSA-N 344.773 4.705 0 40 EJAB CCCN(C(=O)c1ccc(SC)cc1OC)c1cccc(C)c1 9095446 HQLAKEVUXIIUCZ-UHFFFAOYSA-N 329.465 4.782 0 40 EJAB CCc1ccc(CN(C)C(=O)Nc2nc3ccccc3s2)cc1 9710626 NDVUSCUVONAHHX-UHFFFAOYSA-N 325.437 4.523 0 40 EJAB Fc1cccc(CNc2ncc(-c3ccccn3)c(-c3ccco3)n2)c1 13268005 LVXVDJXACLAXGY-UHFFFAOYSA-N 346.365 4.550 0 40 EJAB FC(F)(F)c1ccc(NC(=S)N(Cc2ccco2)C2CC2)cc1 13687783 VHHRHCZJWFSZIP-UHFFFAOYSA-N 340.370 4.660 0 40 EJAB COC(=O)/C=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 20133943 MRZPDRLWWBKEIN-RUDMXATFSA-N 337.202 4.759 0 40 EJAB CSc1ccccc1NC(=O)c1ccc(COc2ccccc2)o1 23655302 KRSVYYAGIWJNMC-UHFFFAOYSA-N 339.416 4.833 0 40 EJAB CC(C)CC[C@H](CC(=O)NCc1ccco1)[C@@H]1CCOC(C)(C)C1 26961445 VPXAGZGTQSBXPJ-IAGOWNOFSA-N 335.488 4.544 0 40 EJAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)N[C@H]2CCCc3ccccc32)c1 30849888 CDSFRASFUALZJQ-XLIONFOSSA-N 337.463 4.573 0 40 EJAB C[C@H](NC[C@@H](O)c1ccc(Cl)cc1)c1cccc2ccccc12 32906733 XZJTZGSDLROZNL-VBKZILBWSA-N 325.839 4.877 0 40 EJAB CCOc1cccc(C=O)c1OCc1ccc(Cl)cc1Cl 36672330 UCMUWWJCJHVZHZ-UHFFFAOYSA-N 325.191 4.784 0 40 EJAB COc1cc([C@H](C)NC(=O)c2cccs2)ccc1OC1CCCC1 48339853 UKDFYWYRTDSWGY-ZDUSSCGKSA-N 345.464 4.569 0 40 EJAB Cc1cccc2cc3c(nc12)OCCN(Cc1ccccc1Cl)C3 57709658 KLNOOUVNUFPLGL-UHFFFAOYSA-N 338.838 4.591 0 40 EJAB CCOc1ccccc1C[S@@](=O)Cc1csc(C2CCCC2)n1 78394747 NEGTTXUOVMVMTE-QHCPKHFHSA-N 349.521 4.648 0 40 EJAB C[C@@H](c1ccccc1F)[S@@](=O)Cc1csc(C2CCCC2)n1 84660684 WYDJNWIHZFAWMA-AMXDTQDGSA-N 337.485 4.950 0 40 EJAB Cc1ccc(C)c(CC(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)c1 219276609 YBRNYTMDHLVQRK-LJQANCHMSA-N 337.463 4.573 0 40 EJAB CCc1nc2ccc(NC(=S)NCc3ccc(C)cc3)cc2s1 225206703 MXEMDKDWLDKFGG-UHFFFAOYSA-N 341.505 4.654 0 40 EJAB CC(C)[C@@H](C)NC(=O)c1cc(Cl)ccc1OCc1ccccc1 225222270 SENGGYANFRDWDJ-CQSZACIVSA-N 331.843 4.693 0 40 EJAB O=C(Nc1cccnc1)/C(=C/c1ccccc1Cl)c1ccccc1 408906298 FYBOLIRGLHOYOU-QGOAFFKASA-N 334.806 4.914 0 40 EJAB COc1cc(Cl)c(C)cc1NC(=O)Nc1ccc2c(c1)CCC2 1622778570 NVTNJNYSRBOONX-UHFFFAOYSA-N 330.815 4.790 0 40 EJAB CCC[C@H](Nc1ccc(C(F)(F)F)cc1)n1nnc2ccccc21 31594 LNJAICLCUVFIIX-MRXNPFEDSA-N 334.345 4.861 0 40 EJAB CCNc1nc(Cl)nc(-c2cn(-c3ccccc3)c3ccccc23)n1 161700 KAXQIRHENUVLQK-UHFFFAOYSA-N 349.825 4.568 0 40 EJAB O=Cc1ccc(OC2CCCC2)c(Cc2c(F)cccc2Cl)c1O 1387027 DNEPNFBGOSGDAY-UHFFFAOYSA-N 348.801 4.909 0 40 EJAB O=c1c2ccccc2c(-c2ccccc2)nn1Cc1ccccc1Cl 1443902 JPZPKGQPPKIKNZ-UHFFFAOYSA-N 346.817 4.765 0 40 EJAB O=C(c1cccc(CN2CCCC2)c1)c1ccccc1C(F)(F)F 2515077 AQMWXLSDLIBTSL-UHFFFAOYSA-N 333.353 4.532 0 40 EJAB O=C(Nc1nc2c(s1)CSc1ccccc1-2)C1CCCCC1 2636092 NCNASKNWZCXTPI-UHFFFAOYSA-N 330.478 4.935 0 40 EJAB O=C(/C=C/c1ccc(Cl)cc1Cl)NCc1ccccc1Cl 3275447 UWNACEXXSHWFNZ-SOFGYWHQSA-N 340.637 4.976 0 40 EJAB Cc1ccc(-c2csc3ncnc(Sc4ncccn4)c23)cc1 3354001 UBFCNFWSWMNMPY-UHFFFAOYSA-N 336.445 4.608 0 40 EJAB CN(Cc1cccs1)C(=S)Nc1cccc(C(F)(F)F)c1 3407598 OTTIAGKCYRYXEN-UHFFFAOYSA-N 330.400 4.596 0 40 EJAB Cc1cc(C)c2nc(C(F)(F)F)nc(NCCc3ccccc3)c2c1 4313695 MXNOIBCNDULTTD-UHFFFAOYSA-N 345.368 4.920 0 40 EJAB C[C@H]1C(=O)OC[C@@H]1C(c1ccccc1)(c1ccccc1)c1ccccc1 5187408 DKOSWZCNBQSOEC-GCJKJVERSA-N 342.438 4.830 0 40 EJAB CC(C)CCOc1ccccc1Cn1c(=O)sc2ccccc21 5234827 RHHTZFKHADGYBV-UHFFFAOYSA-N 327.449 4.536 0 40 EJAB CCCCOc1cccc(C(=O)NC23CC4CC(CC(C4)C2)C3)c1 6397797 GKZMEBZTHLEOHC-UHFFFAOYSA-N 327.468 4.564 0 40 EJAB COc1ccccc1C(=O)Nc1ccc2nc(-c3ccccc3)oc2c1 8186749 MBZNNGDTVMMDLN-UHFFFAOYSA-N 344.370 4.756 0 40 EJAB Cc1nc2ccc(NC(=O)[C@H](C)Oc3cccc(Cl)c3)cc2s1 10784079 IIFJOZOTFKLYBF-JTQLQIEISA-N 346.839 4.664 0 40 EJAB CC1=C[C@H](C)[C@H](CNCCNC[C@H]2[C@@H](C)C=C(C)C[C@H]2C)[C@@H](C)C1 22938749 XPPZSKFTXPXUHK-BPIQYHPVSA-N 332.576 4.642 0 40 EJAB CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccc(-c3nccs3)cc2)C1(C)C 24541685 JLINGDSVELYWNQ-HZPDHXFCSA-N 326.465 4.987 0 40 EJAB Cc1ccc(-c2csc(NC(=O)c3c(C)oc(C)c3C)n2)cc1 28715930 VAMKXCPSASOIBX-UHFFFAOYSA-N 326.421 4.889 0 40 EJAB c1ccc2c(c1)CCC[C@H]2NCc1ccc(OCc2ccncc2)cc1 30543930 VZNFAOSVKUCIJZ-HSZRJFAPSA-N 344.458 4.828 0 40 EJAB CCc1ccc(CNC(=O)c2cc(SC)ccc2Cl)s1 32930293 WITLPHQURNDHPG-UHFFFAOYSA-N 325.886 4.616 0 40 EJAB Clc1cccc(CNCCCc2nc3ccccc3[nH]2)c1Cl 35287275 FNJAVPOGMOMPBA-UHFFFAOYSA-N 334.250 4.592 0 40 EJAB Cc1ccc(NC(=O)N(C)Cc2ccc(Br)cc2)c(C)c1 40095438 KKJGKYXDAYQOBJ-UHFFFAOYSA-N 347.256 4.730 0 40 EJAB Cc1nc(SCc2nc(C3CC3)no2)n(C2CCCCC2)c1C 45003070 YMDZJJZPPUDODR-UHFFFAOYSA-N 332.473 4.558 0 40 EJAB O=C(Cc1ccc2ccccc2c1)Nc1cccc(-c2cnco2)c1 48204925 AFUZLMDFUUMLMW-UHFFFAOYSA-N 328.371 4.676 0 40 EJAB CC(C)=C[C@H]1[C@H](C(=O)Nc2ccccc2OC(F)(F)F)C1(C)C 58166914 HNEGKRNQEYRTHI-SMDDNHRTSA-N 327.346 4.762 0 40 EJAB Cc1cc(NC(=S)Nc2cccc(Br)c2)ccc1F 71326143 KBZARSJBNYEJFC-UHFFFAOYSA-N 339.233 4.706 0 40 EJAB Cc1cccc([C@@H]2CCCCN2c2nccc(C(F)(F)F)n2)c1C 72307627 PJBRVPQWDVCEQK-HNNXBMFYSA-N 335.373 4.844 0 40 EJAB CC(C)c1ccccc1O[C@@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 113954349 RJUWPRFCBYGUGO-CABCVRRESA-N 329.415 4.594 0 40 EJAB Cc1cc(C)c([C@@H](C)NC(=O)[C@H](C)Oc2ccccc2C)cc1C 223463443 XETMVZDTNBVHRZ-MSOLQXFVSA-N 325.452 4.565 0 40 EJAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cccc(Cl)c1 224907855 BWYWTHWINNDPTD-CYBMUJFWSA-N 329.827 4.625 0 40 EJAB Cc1ccc(OC[C@@H](C)NC(=S)Nc2ccc(C)c(Cl)c2)cc1 225640649 DIKTZRAURUAAQH-CQSZACIVSA-N 348.899 4.711 0 40 EJAB Cc1ccccc1[C@@H](NC(=S)Nc1c(F)cccc1F)C(C)C 225761181 UXZIBBWRBFOSFT-INIZCTEOSA-N 334.435 4.957 0 40 EJAB CCCCOc1ccc(NC(=O)C(C)(C)OCCC)c2cccnc12 225903356 BTNODMHFFIYEGB-UHFFFAOYSA-N 344.455 4.557 0 40 EJAB Cc1ccccc1C(=O)N[C@H](c1nc(-c2ccccc2)no1)C(C)(C)C 526052228 GILOIALVEGDUFM-QGZVFWFLSA-N 349.434 4.562 0 40 EJAB CCC[C@@H]1C[C@@](C)(c2csc(Nc3ccccc3C)n2)OC1=O 289428 PGNDOLKJNWJKDP-ACJLOTCBSA-N 330.453 4.774 0 40 EJAB Brc1ccc(Cc2ccc(Br)cc2)cc1 361519 IYOYOEKCRDEIPQ-UHFFFAOYSA-N 326.031 4.802 0 40 EJAB COc1cc(NC(=O)c2ccc(Cl)cc2)c(Cl)cc1Cl 1392291 PQJOZLAZKNVWQQ-UHFFFAOYSA-N 330.598 4.908 0 40 EJAB CSc1ccc(CCC(=O)c2ccc(Br)cc2)cc1 2516657 XJJWACAKGRLUDI-UHFFFAOYSA-N 335.266 4.987 0 40 EJAB O=C(c1cccs1)n1nc(-c2cccs2)c2c1-c1ccccc1C2 2549827 YCCYIQBOYSLQPZ-UHFFFAOYSA-N 348.452 4.933 0 40 EJAB O=C(NCc1cccc(C(F)(F)F)c1)Nc1ccc(Cl)cc1 2764512 RJZHVJFNVVRYJX-UHFFFAOYSA-N 328.721 4.681 0 40 EJAB O=C(CSc1ccccc1)Nc1ccc(OCc2ccccc2)cc1 3230205 YXIZXOMZAYSRAF-UHFFFAOYSA-N 349.455 4.996 0 40 EJAB CC(C)CCC[C@H](C)NC(=O)c1ccc(C(=O)c2ccccc2)cc1 3338495 DHFOGKCDRDIVRL-KRWDZBQOSA-N 337.463 4.862 0 40 EJAB CN(C)CCOC1(Cc2ccc(F)cc2)CCC(C(C)(C)C)CC1 3593045 IPSVMEJXHXKMSE-UHFFFAOYSA-N 335.507 4.922 0 40 EJAB O=C(NCCCc1ccccc1)C1c2ccccc2-c2ccccc21 4107011 FQUWMINXMIXZBV-UHFFFAOYSA-N 327.427 4.548 0 40 EJAB CC(C)CN(CC(C)C)C(=S)Nc1ccc(OC(F)F)cc1 4134949 AWOYIZXXEYOCEJ-UHFFFAOYSA-N 330.444 4.599 0 40 EJAB O=C1/C(=C/c2c(Cl)cccc2Cl)N=C(S)N1c1ccccc1 4550843 QRUHCDZYSQJKFF-ZROIWOOFSA-N 349.242 4.667 0 40 EJAB CCCN(CCC)C[C@@H](O)c1cc2c(c3ccccc13)CCCC2 6380174 URSHEVDCYDQDGO-JOCHJYFZSA-N 325.496 4.874 0 40 EJAB C[C@@H](Sc1nc2ccccc2[nH]1)c1nnc(-c2cccs2)o1 6649686 RPMFAUHYNVHVKT-SECBINFHSA-N 328.422 4.528 0 40 EJAB COc1ccc([C@H](NC(=O)c2ccc(C)cc2)c2ccccc2)cc1 6995307 ONLMGCAZSHYWLE-OAQYLSRUSA-N 331.415 4.523 0 40 EJAB CCCCOc1ccc(C(=O)Nc2cc(F)ccc2C)cc1OCC 8078793 OJONLBGQFPOHRP-UHFFFAOYSA-N 345.414 4.964 0 40 EJAB COc1ccc(NC(=O)c2cccc3c(Cl)cccc23)c(OC)c1 9141512 UMQOBRBUNDARMI-UHFFFAOYSA-N 341.794 4.763 0 40 EJAB O=C(Nc1ccc(-c2nccs2)cc1)c1cccc(OC(F)F)c1 12905556 OQKMRMDXHNPRFC-UHFFFAOYSA-N 346.358 4.664 0 40 EJAB CC[C@H](NC(=O)COc1cc(C)c(Cl)c(C)c1)c1ccccc1 20459851 FPKJHXYFWSAMEC-KRWDZBQOSA-N 331.843 4.603 0 40 EJAB CCCc1cc(=O)oc2c3c(ccc12)OCN([C@@H](C)c1ccccc1)C3 20610059 OSQASRQBKLAJQZ-HNNXBMFYSA-N 349.430 4.659 0 40 EJAB biogenic COc1ccc(C)cc1[C@@H](C)NC(=O)N(C)[C@@H](C)c1ccc(F)cc1 22396293 MJQNYRDLTXLKLQ-CABCVRRESA-N 344.430 4.606 0 40 EJAB COc1ccc([C@H]2CCCCCN2C(=O)c2ccc(F)c(F)c2)cc1 24392308 BORHQVDCPCJQKH-LJQANCHMSA-N 345.389 4.731 0 40 EJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H](C)CCc1ccccc1 30849023 XPGVYYBZELJCDL-WIYYLYMNSA-N 339.479 4.598 0 40 EJAB CC[C@@](C)(Nc1ccc(C)cc1C)c1nnnn1-c1c(C)cccc1C 35622506 RIYYUZKSJXXOIO-OAQYLSRUSA-N 349.482 4.633 0 40 EJAB CCCOc1ccccc1NC(=O)N(C)[C@H](C)c1ccccc1OC 43452370 MNOWXMMHVFMBIL-OAHLLOKOSA-N 342.439 4.709 0 40 EJAB Fc1ccccc1NC(=S)Nc1cccc(OC(F)(F)F)c1 43568709 OYOMPFWALIWFBK-UHFFFAOYSA-N 330.306 4.533 0 40 EJAB CC[C@H](Oc1ccccc1C)C(=O)N[C@H](CC)c1ccc(C)cc1 44900535 XLTLCBSEBSLCNG-MOPGFXCFSA-N 325.452 4.728 0 40 EJAB CCC(C)(C)NC(=O)c1sc(-c2ccc(Cl)s2)nc1C 49276407 HRLTUPQXCMMHCL-UHFFFAOYSA-N 328.890 4.752 0 40 EJAB CN(Cc1cccc2ccccc12)C(=O)[C@H]1CCCc2ccccc21 58357643 RVZXUBGWPQPPOC-QFIPXVFZSA-N 329.443 4.918 0 40 EJAB O=C(Nc1cccs1)N1CCC(CSCc2ccco2)CC1 85472483 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O=C(c1cc(-c2ccccc2)nc2ccccc12)n1cnc2ccccc21 182545 MVBFQQMPPIPONI-UHFFFAOYSA-N 349.393 4.940 0 40 EJAB S=C(Nc1ccc(Cl)cc1)N1CCS[C@H]1c1cccs1 269230 HLQMQYSIQMQHLL-ZDUSSCGKSA-N 340.926 4.846 0 40 EJAB COc1ccc(NC(=O)c2cc(CC(C)C)nc3ccccc23)cc1 411551 YYPIRLSZECYZHW-UHFFFAOYSA-N 334.419 4.694 0 40 EJAB O=C(c1ccc(Cl)cc1F)c1ccccc1CN1CCCCC1 2515525 REWJDBLAUVVKSG-UHFFFAOYSA-N 331.818 4.696 0 40 EJAB CC(=O)N1c2cc(C)cc(C)c2[C@H]2OCC[C@@H]2[C@@H]1c1cccs1 5050570 NOCGPOGIVZUDDQ-ZMYBRWDISA-N 327.449 4.550 0 40 EJAB CC[C@@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc(OC)cc3)=NN12 5554569 YWQCDIMSKAEIPY-HKUYNNGSSA-N 342.826 4.628 0 40 EJAB C[C@@H](CC(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2)c1ccccc1 6286352 AOXRSKUULCGCFZ-XGOAVSACSA-N 325.496 4.901 0 40 EJAB CCCCCC(=O)Nc1cc2nn(-c3ccccc3)nc2cc1Cl 6635099 QZTSFQAPKDEAHY-UHFFFAOYSA-N 342.830 4.593 0 40 EJAB CC(=O)Nc1ccc(NC(=O)c2cc(C(C)C)nc3ccccc23)cc1 7061255 LLLKGNAXMVFTJH-UHFFFAOYSA-N 347.418 4.569 0 40 EJAB COc1cccc(CSc2nnc(-c3cc(C)cc(C)c3)o2)c1 7160014 JLMVIRQKMVWTPP-UHFFFAOYSA-N 326.421 4.654 0 40 EJAB CC(=O)Nc1ccc(S[C@H](C)C(=O)c2ccc(Cl)cc2)cc1 7466869 UBHGUEUDDUWLAV-LLVKDONJSA-N 333.840 4.662 0 40 EJAB C[C@@H](NC(=O)Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1F 8101804 POMGTADWCBHXQF-SECBINFHSA-N 344.188 4.692 0 40 EJAB CC(C)Oc1ccc(-c2nnc(Nc3ccc(Cl)cc3)[nH]2)cc1 8903561 HOFPXUGTVXVNIJ-UHFFFAOYSA-N 328.803 4.656 0 40 EJAB O=C(C1CCCCC1)N1N=C(c2ccccc2)C[C@H]1c1ccccc1 9833740 YMKMGLGWQOZEMX-NRFANRHFSA-N 332.447 4.945 0 40 EJAB O=C1C[C@@H](c2ccccc2OCc2ccccc2)c2sccc2N1 12376564 BJQCZKDSMSMTPL-INIZCTEOSA-N 335.428 4.801 0 40 EJAB O=C(Nc1nc2ccc(Oc3ccccc3)cc2s1)c1ccoc1 12938409 BOZSXIZLGXMKNT-UHFFFAOYSA-N 336.372 4.934 0 40 EJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)c1cc(C)ccc1C 20045815 UIIJJMSQXNSCKY-BEFAXECRSA-N 345.870 4.992 0 40 EJAB C[C@@H]1CCC[C@H](N2C(=O)c3ccccc3[C@@H]2NCc2ccccc2)[C@@H]1C 20169403 QUHYUADJNNQICY-FTIBCMOBSA-N 348.490 4.756 0 40 EJAB COc1ccc2c(ccn2CC(=O)Nc2ccc(Cl)cc2Cl)c1 20724425 XOMCRNDLMGYLNU-UHFFFAOYSA-N 349.217 4.595 0 40 EJAB Clc1ccc(CSc2nnc(-c3c[nH]c4ccccc34)o2)cn1 23374369 YNPQFJPWBJUZTQ-UHFFFAOYSA-N 342.811 4.559 0 40 EJAB CCc1cccc(C)c1NC(=O)[C@H](C)Sc1ccc(OC)cc1 25368320 YJFWDOQCSTZGJC-AWEZNQCLSA-N 329.465 4.685 0 40 EJAB CCc1ccc(C(=O)Nc2c(C)nn(Cc3cccc(C)c3)c2C)cc1 32609717 HDLDUZXGLGSRDE-UHFFFAOYSA-N 347.462 4.671 0 40 EJAB Cc1c(F)cccc1NC(=S)Nc1cccc(Br)c1 71760537 MWXIREYIBIVFHK-UHFFFAOYSA-N 339.233 4.706 0 40 EJAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)N[C@@H]1CCCc2ccccc21 113970115 CEAJCLNXHXFEJO-WOJBJXKFSA-N 337.463 4.655 0 40 EJAB O=C(CCc1cccc(Cl)c1)N1CCS[C@@H](c2ccco2)CC1 219418841 GMPMSSRAWAKMMZ-QGZVFWFLSA-N 349.883 4.572 0 40 EJAB CC1=CC(C)(C)N(Cc2ccc(C(=O)O)o2)c2ccc(Cl)cc21 223232227 UCCXJYWAAXMLEI-UHFFFAOYSA-N 331.799 4.833 0 40 EJAB Nc1cccc(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1 226303232 ABGHKNQNHUQROL-UHFFFAOYSA-N 346.474 4.989 0 40 EJAB CSc1ccccc1C(=O)N[C@@H](C)Cc1cc2ccccc2o1 253472709 OONORHSINXBDJC-ZDUSSCGKSA-N 325.433 4.516 0 40 EJAB COc1ccc(/C=C/C(=O)Nc2c(C)cccc2C(C)C)c(OC)c1 147270 UMKMIWLNRYUEJJ-ZRDIBKRKSA-N 339.435 4.788 0 40 EJAB Cc1cc(C)c2c(N)c(C(=O)Nc3cccc(Cl)c3C)sc2n1 149912 ITUPHEVJIWNDSE-UHFFFAOYSA-N 345.855 4.709 0 40 EJAB CCOc1ccc(C(=O)Nc2nc(-c3ccc(C)cc3)cs2)cc1 187419 APAISNBFAVXVTD-UHFFFAOYSA-N 338.432 4.770 0 40 EJAB Cc1ccc(CSc2nc(C)c(CCC(C)C)c(=O)[nH]2)c(C)c1 477884 MFJQLJFGIHKQAI-UHFFFAOYSA-N 330.497 4.576 0 40 EJAB COC(=O)C[C@@H](C)CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O 3852088 GOECIRGMYVJNBS-CFPPRVJZSA-N 338.532 4.959 0 40 EJAB O=C(Nc1nc2ccc(Br)cc2s1)C1CCCCC1 4072470 KYWBPMHOAGNHSB-UHFFFAOYSA-N 339.258 4.578 0 40 EJAB Fc1cccc(Cl)c1Cn1c([C@@H]2CCCO2)nc2ccccc21 4386853 KPXKNCDJXFZHJL-KRWDZBQOSA-N 330.790 4.729 0 40 EJAB CC[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cccc(OC)c2)N3)C1 4545509 GWIOFSINHGOLCE-APPDUMDISA-N 342.464 4.701 0 40 EJAB Clc1nc(OCC23CC4CC(CC(C4)C2)C3)c2ccccc2n1 4739195 QOLPRXGURQQHDG-UHFFFAOYSA-N 328.843 4.878 0 40 EJAB CC[C@@H]1CCCCN1c1cc(C)nc2cc(-c3cccc(C)c3)nn12 4969549 DHLLUTCBIJFEBI-GOSISDBHSA-N 334.467 4.782 0 40 EJAB CCOC(=O)n1c(CSc2ccc(C)cc2)nc2ccccc21 5399066 CAFLZLJONZZBQW-UHFFFAOYSA-N 326.421 4.642 0 40 EJAB CC[C@H](C)N(CCNc1cc(OC)cc2cccnc12)CCC(C)C 5846375 WZXGYORNSOXLGS-KRWDZBQOSA-N 343.515 4.802 0 40 EJAB O=C(Nc1ncc(C(F)(F)F)cc1Cl)c1ccccc1Cl 6322859 WHZJISCVGAPRNW-UHFFFAOYSA-N 335.112 4.660 0 40 EJAB Cc1ccc(C)c(-c2csc(NC(=O)c3cc(F)cc(F)c3)n2)c1 6509505 UWJGVZNYAQMDIM-UHFFFAOYSA-N 344.386 4.957 0 40 EJAB O=C(NC1CCCCCC1)C1(Cc2nc3ccccc3[nH]2)CCCC1 6648265 FFSZBLCXEPJYNR-UHFFFAOYSA-N 339.483 4.505 0 40 EJAB C[C@@H](CCc1ccccc1)NC(=S)Nc1ccc(F)c(Cl)c1 7571026 LRFWGFFESLGLNR-LBPRGKRZSA-N 336.863 4.787 0 40 EJAB Cc1c(C(=O)N[C@H](C)c2ccc(F)c(F)c2)oc2ccc(F)cc12 7987655 DOOUYKXHOZFEPH-SNVBAGLBSA-N 333.309 4.650 0 40 EJAB Cc1ccc(C)c(OCC(=O)N[C@H](C)c2ccc3ccccc3c2)c1 8185131 OOZYGCZKKITIJK-QGZVFWFLSA-N 333.431 4.713 0 40 EJAB CN(Cc1ccc2ccccc2c1)C(=O)NCc1cccc(Cl)c1 8264637 HEHOROLVULSJQS-UHFFFAOYSA-N 338.838 4.835 0 40 EJAB COC(=O)c1cc(-c2ccc(Cl)s2)nc2onc(C(C)C)c12 8337888 WEUKEJFEINSABX-UHFFFAOYSA-N 336.800 4.515 0 40 EJAB COc1ccc(Cl)cc1NC(=O)C1(c2cccs2)CCCC1 12157903 DPMKLPBBTZGFRD-UHFFFAOYSA-N 335.856 4.861 0 40 EJAB O=C(Nc1cccnc1)c1ccc(-c2cccc(Cl)c2Cl)o1 12558023 RTKSYMYXLZBBLN-UHFFFAOYSA-N 333.174 4.901 0 40 EJAB O=C(O/C(=C/c1nccn1C(F)F)c1ccccc1)c1ccccc1 12600279 UFAVLZBTWVNJOY-DTQAZKPQSA-N 340.329 4.633 0 40 EJAB O=C(CSc1ccccc1Br)c1c[nH]c2ccccc12 16360471 PTXIAVQMUSZSDQ-UHFFFAOYSA-N 346.249 4.905 0 40 EJAB O=C(/C=C/c1ccccc1OC(F)F)N1CCC[C@@H]1c1ccccc1 22328803 ZYQXADCSODVOJE-GZKZCVOOSA-N 343.373 4.665 0 40 EJAB CCn1c(C)c(C)c2cc(C(=O)Nc3nc(C)c(C)s3)ccc21 28225009 RPIHHCBYOHNEEE-UHFFFAOYSA-N 327.453 4.604 0 40 EJAB COC(=O)c1ccc([C@@H](C)SC2=Nc3ccccc3CS2)o1 31847935 UJNABEZRZFUPKO-SNVBAGLBSA-N 333.434 4.795 0 40 EJAB CCc1c(C)sc2nc(Cl)n3nc(-c4ccccc4)nc3c12 32092695 QKHAQMYWBAJHEM-UHFFFAOYSA-N 328.828 4.530 0 40 EJAB Cc1cccc(C)c1OCc1nnc(SCc2ccc(F)cc2)o1 33861095 FQQFHBXBPAEZPW-UHFFFAOYSA-N 344.411 4.697 0 40 EJAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccccc1SC 44848397 GZTIUDRNYRZSNU-MRXNPFEDSA-N 329.465 4.821 0 40 EJAB CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=O)c(C)c1 53944002 QCHLAAUTYZNXJZ-UHFFFAOYSA-N 334.419 4.839 0 40 EJAB O=C1c2cccc3cccc(c23)C(=O)N1c1cc(Cl)cc(Cl)c1 59442854 ACXDFGWMFTZDDK-UHFFFAOYSA-N 342.181 4.947 0 40 EJAB CO[C@H](CNC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccsc1 96097502 KBENSZFUFSTKEC-CYBMUJFWSA-N 345.251 4.564 0 40 EJAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)Cc1cccc(Cl)c1 223599985 FHTGSRXAUFFFKC-QGZVFWFLSA-N 343.854 4.610 0 40 EJAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NC[C@H](C)c1ccccc1 224128793 CZYFPSUZDBZKOS-IRXDYDNUSA-N 339.479 4.671 0 40 EJAB Cc1ccc(NC(=S)N[C@H](C)COc2ccccc2C)cc1Cl 225635179 WTBAASOAHAJRRM-CQSZACIVSA-N 348.899 4.711 0 40 EJAB COc1cc(C)c(C(=O)N[C@H]2CCCc3ccccc32)cc1C(C)C 225662919 SKKKUASFOFXKDT-FQEVSTJZSA-N 337.463 4.934 0 40 EJAB COc1cc(CNc2ccc(-c3cnc(C4CC4)o3)cc2)ccc1O 225669343 PVJCZIXUWYZFTD-UHFFFAOYSA-N 336.391 4.545 0 40 EJAB CCCOC(C)(C)C(=O)Nc1ccc(OC(C)C)c2ccccc12 225838177 SCWZOMAKSIBNFD-UHFFFAOYSA-N 329.440 4.771 0 40 EJAB COc1cc(-c2nc(O)c3c4c(sc3n2)CCCCC4)ccc1C 408989807 MFGBWOKIAVSKSY-UHFFFAOYSA-N 340.448 4.650 0 40 EJAB Cc1ccc([C@@H]2CCCCN2C(=O)Nc2cnn(CC(C)C)c2)cc1 608334770 AVHUZLCVHIATPL-IBGZPJMESA-N 340.471 4.607 0 40 EJAB Cc1cc(OCC(=O)Nc2cccc(C(F)(F)F)c2)ccc1Cl 191605 LNUAFZFQQPLOJB-UHFFFAOYSA-N 343.732 4.685 0 40 EJAB CCOc1cccc(-c2csc([C@H]3COc4ccccc4O3)n2)c1 497161 VRHBXNSSNKYMSN-GOSISDBHSA-N 339.416 4.721 0 40 EJAB CC(C)(C)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 558019 AMPSDCOTBMNQBV-UHFFFAOYSA-N 328.378 4.680 0 40 EJAB O=C(c1ccco1)c1cn(CCOc2ccc(F)cc2)c2ccccc12 560613 DJVWKQWIRUHHSB-UHFFFAOYSA-N 349.361 4.683 0 40 EJAB CC[C@H](C)N1C(=O)S/C(=C/c2ccc(OC)c3ccccc23)C1=O 981269 WDQXYZXJKBWAKV-OOIIIRTPSA-N 341.432 4.683 0 40 EJAB Clc1ncc(CSc2nccc(-c3cccs3)n2)s1 1393545 OEQJVDFTXNWKPZ-UHFFFAOYSA-N 325.871 4.607 0 40 EJAB C[C@]1(c2ccc(NC(=O)c3ccccc3F)cc2)CC1(Cl)Cl 1443537 SGMFJXKDCPGPCN-MRXNPFEDSA-N 338.209 4.913 0 40 EJAB O=C(Nc1ccc(Sc2ccccn2)cc1)c1cccnc1Cl 2562000 OSCHDMBQZCCNDL-UHFFFAOYSA-N 341.823 4.534 0 40 EJAB Cc1ccc(C2=NNC(c3ccc(F)cc3)=Nc3ccccc32)cc1 4161602 PTKMHLIVMVEASF-UHFFFAOYSA-N 329.378 4.568 0 40 EJAB CC(C)Oc1ccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1 5644291 ONHZDENGHOVJHW-ATVHPVEESA-N 339.416 4.715 0 40 EJAB CCc1ccc(C(=O)[C@H](C)Sc2nnc(-c3ccccc3)o2)cc1 6654278 UKUBQJLJVGQTBS-ZDUSSCGKSA-N 338.432 4.663 0 40 EJAB CCCOc1ccc(C(=O)Nc2cccc(C)c2C)cc1OCC 7609948 IAVPANMXPNTYNG-UHFFFAOYSA-N 327.424 4.743 0 40 EJAB COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccsc2)cc1 8747495 RLHVQGKZTGSGDW-SFHVURJKSA-N 336.416 4.528 0 40 EJAB Cc1ccc2nc(COC(=O)c3ccc(-c4ccccc4)cc3)cn2c1 12599786 RENOEMQCVOWTDH-UHFFFAOYSA-N 342.398 4.667 0 40 EJAB CN(Cc1ccc(OC(F)F)cc1)C(=O)Nc1ccc(Cl)cc1 18173148 JQABDSDRIFNZKI-UHFFFAOYSA-N 340.757 4.605 0 40 EJAB CCn1c(CNC2(c3ccccc3F)CCCC2)nc2ccccc21 19524369 KRCNBTUKOCGAPG-UHFFFAOYSA-N 337.442 4.754 0 40 EJAB CCOc1cccc(NC(=O)[C@@H](CC)Oc2cccc(Cl)c2)c1 20111431 MBXQIBNFHHFCIZ-QGZVFWFLSA-N 333.815 4.535 0 40 EJAB CCCOc1ccc(C(=O)N[C@@H](CC(C)C)c2ccccc2)cc1 30754796 XSFOZJSMRWXBKO-FQEVSTJZSA-N 325.452 4.993 0 40 EJAB C[C@@H](NC[C@@H](O)c1ccc(Cl)cc1)c1cccc2ccccc12 32906732 XZJTZGSDLROZNL-JLTOFOAXSA-N 325.839 4.877 0 40 EJAB C[C@@H](NC(=O)c1ccc(F)cc1Cl)c1cccc(OC(F)F)c1 32931087 XZXKVRUQZQKYAI-SECBINFHSA-N 343.732 4.572 0 40 EJAB Fc1ccc(CN2CCc3nc(-c4cccc(F)c4)sc3C2)cc1 36752074 ZQJGLWNTNFGPRR-UHFFFAOYSA-N 342.414 4.647 0 40 EJAB COc1ccc(NC(=O)Nc2cc(Cl)ccc2C)cc1Cl 44845001 KHUIINBGQSCFPV-UHFFFAOYSA-N 325.195 4.954 0 40 EJAB CCSc1ccccc1NC(=O)CSCc1ccccc1C 44846224 SARYGLKVIXBITJ-UHFFFAOYSA-N 331.506 4.979 0 40 EJAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N[C@@H](C)c1ccc(C)cc1C 44850456 ZETYMKLZHOQLMG-AZUAARDMSA-N 339.479 4.955 0 40 EJAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccccc1C(C)C 44900814 KTZRXIAGTMPIKZ-LJQANCHMSA-N 327.424 4.615 0 40 EJAB C[C@@H](c1ccccn1)N(C(=O)Cc1ccc2ccccc2c1)C1CC1 59325393 JDYSJMJXQIBIKH-INIZCTEOSA-N 330.431 4.530 0 40 EJAB O=C(Nc1cccc(N2CCCCC2)c1)Nc1cccc2cccnc12 65820607 PHXQGLSAXXMCSI-UHFFFAOYSA-N 346.434 4.869 0 40 EJAB Oc1nc(SCc2ccc(F)cc2)nc2c1oc1ccccc12 67259872 OSVDDQMOVPHVHF-UHFFFAOYSA-N 326.352 4.513 0 40 EJAB CC1=Nc2c(c(O)nn2C2CCCCC2)[C@@H](c2cccc(O)c2)S1 71287912 WVYGOUCWRPWFIK-MRXNPFEDSA-N 343.452 4.686 0 40 EJAB CCOc1cc(CO)c(Cl)cc1OCc1ccc(F)cc1Cl 95095062 FGXNFDSOQFSIPG-UHFFFAOYSA-N 345.197 4.603 0 40 EJAB C[C@@H](NCc1ccc(Cn2ccnc2)cc1)c1cc2ccccc2o1 95420168 YCUBOJJQZJWKMF-MRXNPFEDSA-N 331.419 4.528 0 40 EJAB CC1(C)C[C@H](NCCc2cccc3cccnc23)c2ccccc2O1 95967248 QOVAVUUEDJBWFM-IBGZPJMESA-N 332.447 4.669 0 40 EJAB CN1[C@H]2CC[C@H]1CC(OC1c3ccccc3CCc3ccccc31)C2 100092121 ZWPODSUQWXAZNC-OALUTQOASA-N 333.475 4.516 0 40 EJAB in-man Nc1c(-c2cccc(Cl)c2)c(C(F)(F)F)nn1-c1ccccc1 205857246 LGVRPACLHIDAQO-UHFFFAOYSA-N 337.732 4.794 0 40 EJAB Cc1ccc(O[C@@H](C)C(=O)N[C@H](CC(C)C)c2ccccc2)c(C)c1 219530748 NOSCQJZXJUUZJY-AZUAARDMSA-N 339.479 4.974 0 40 EJAB CCCCc1ccc(C[C@@H](Oc2ccc(Cl)cc2)C(=O)O)cc1 225128070 YJSZYRXFHSDFGC-GOSISDBHSA-N 332.827 4.757 0 40 EJAB CCCCCN1C(=O)S/C(=C\c2ccc(OC)c(Cl)c2)C1=O 409209384 FAKPKRVOCVLNFW-UVTDQMKNSA-N 339.844 4.575 0 40 EJAB COc1ccc(CCNC(=O)c2sc3ccccc3c2Cl)cc1 176129 ADFQSVVHEAFYRL-UHFFFAOYSA-N 345.851 4.536 0 40 EJAB biogenic Cc1ccc(NC(=O)c2cnc(-c3ccccc3)nc2C)cc1Cl 516085 VFZCYHOREDIYJL-UHFFFAOYSA-N 337.810 4.666 0 40 EJAB Cc1nc(-c2ccccc2)c(-c2ccccc2)nc1Br 1701957 XAGHMUYIKRAEIF-UHFFFAOYSA-N 325.209 4.882 0 40 EJAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NCCCCc1ccccc1 2114640 UFEPNEWHLXASRP-INIZCTEOSA-N 345.870 4.555 0 40 EJAB C[C@@H]1CCc2cc(F)ccc2N1C(=O)c1cccc(Br)c1 2736730 PRVRAVPVMZSGFJ-LLVKDONJSA-N 348.215 4.570 0 40 EJAB O=C(Nc1ccccc1)N(C(=O)[C@@H]1Cc2ccccc21)c1ccccc1 3848172 NVLMDPFYFFQQRT-HXUWFJFHSA-N 342.398 4.592 0 40 EJAB biogenic Cc1ccc(C(=O)Nc2c(-c3ccccc3)nc3ccccn23)cc1 3906485 KGWNZSOESBLOCE-UHFFFAOYSA-N 327.387 4.562 0 40 EJAB Cc1cc(CSc2nnc(-c3ccccc3)n2-c2ccccc2)no1 5702537 UWMWXHDUPZITCE-UHFFFAOYSA-N 348.431 4.523 0 40 EJAB CCOc1ccc(-c2nc(-c3ccccc3OC)cs2)cc1OC 6542325 GGNNMIMULATTIN-UHFFFAOYSA-N 341.432 4.893 0 40 EJAB CCc1ccc2occ(CC(=O)Nc3ccc(OC)c(Cl)c3)c2c1 6809755 AUDMTOZEHQQLPA-UHFFFAOYSA-N 343.810 4.838 0 40 EJAB O=C(c1ccccc1)c1ccc(OCc2nc3ccccc3o2)cc1 8006847 USPMNAVTCQYWGQ-UHFFFAOYSA-N 329.355 4.638 0 40 EJAB Cc1cc2oc(=O)cc(CN(C)[C@@H]3CCCc4ccccc43)c2cc1C 8126309 CJIWPGFHMAPSDC-OAQYLSRUSA-N 347.458 4.919 0 40 EJAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1cccc2ccccc12 8477800 NJPGQAIXPLURFP-GOSISDBHSA-N 335.403 4.645 0 40 EJAB CC(C)Oc1cccc(NC(=O)[C@@H](C)Oc2ccccc2Cl)c1 10715490 YBKQVLKBAGCRHQ-CYBMUJFWSA-N 333.815 4.533 0 40 EJAB Cc1cccc(-c2nnc(SCc3cccc4cccnc34)n2C)c1 11389675 HQINOQOGZUEKPX-UHFFFAOYSA-N 346.459 4.631 0 40 EJAB Cc1ccc(NC(=O)Cc2cc(-c3ccc(F)cc3)on2)cc1Cl 11693152 RZRUDMUBTJXNKF-UHFFFAOYSA-N 344.773 4.624 0 40 EJAB Cc1ccc([C@H](NC(=O)CCOc2ccccc2)c2ccccc2)cc1 12801502 RRDJSELHSLXOIA-HSZRJFAPSA-N 345.442 4.670 0 40 EJAB C[C@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)c1ccccc1 12971633 VESJTYQGUXVXNT-AWEZNQCLSA-N 349.459 4.508 0 40 EJAB Cc1cccc(C(=O)Nc2c(-c3ccccc3)nc3sccn23)c1 25739535 VETKNFYSTFUSQZ-UHFFFAOYSA-N 333.416 4.624 0 40 EJAB Cc1cccc(OCc2ccc(C(=O)N3c4ccccc4C[C@H]3C)o2)c1 27975972 WLPJDRKXMDBNDS-MRXNPFEDSA-N 347.414 4.758 0 40 EJAB O=C(Nc1cc(-c2nc3cnccc3o2)ccc1Cl)c1ccccc1 32091381 VNKZGUVIWKHHQW-UHFFFAOYSA-N 349.777 4.796 0 40 EJAB C[C@@H]1Cc2ccccc2N1C(=O)c1cc(-c2ccccc2Cl)on1 40086718 HDFXLTHKUAMFBG-GFCCVEGCSA-N 338.794 4.586 0 40 EJAB CCc1ccc([C@H](NC(=O)CCc2nc3ccccc3[nH]2)C(C)C)cc1 45777400 WKCKVOWZFSSDOU-JOCHJYFZSA-N 349.478 4.571 0 40 EJAB O=C(CCCC1CCCCC1)N1CCC[C@H]1c1nc2ccccc2[nH]1 53356904 KSWKLHXNPSLSMZ-IBGZPJMESA-N 339.483 4.977 0 40 EJAB Cc1ccc(N(C)C(=O)c2cc(C3CC3)nn2-c2ccccc2)c(C)c1 55850826 DQRFPHCLHXPYPJ-UHFFFAOYSA-N 345.446 4.643 0 40 EJAB Cc1ccc(C)c([C@@H](C)NC(=O)COc2ccc(C(C)C)cc2)c1 59351437 UGZCWJAKQREEAT-QGZVFWFLSA-N 325.452 4.683 0 40 EJAB CCc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)cc1 78458259 LWYMHSGJOTUEQG-LSDHHAIUSA-N 345.870 4.856 0 40 EJAB Cc1cc(CNC(=O)OC(C)(C)C)cc(C)c1OCc1ccccc1 95095335 JNYHLJNKZIGDOI-UHFFFAOYSA-N 341.451 4.907 0 40 EJAB c1ccc([C@@H]2C[C@@]34OCCN3[C@]3(CCCC[C@H]23)Oc2ccccc24)cc1 102805914 KMZWVRIIHGSMOD-CSGUBPAMSA-N 347.458 4.638 0 40 EJAB Cc1cc(C)c([C@H](C)NC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1C 223464639 TZVPAAXUAGEDRH-RBUKOAKNSA-N 339.479 4.873 0 40 EJAB CCC1(CC)C[C@H](NC(=O)c2ccccc2OC)c2ccccc2O1 223602362 DEBIVEISFYWAAL-KRWDZBQOSA-N 339.435 4.508 0 40 EJAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)c1 225321808 NTJJCQGXVIDPPG-IAGOWNOFSA-N 337.463 4.864 0 40 EJAB CN(C(=O)c1ccc(-c2cc(N)ccc2Cl)o1)C1CCCCC1 226303742 UAEDVQMLASMWAT-UHFFFAOYSA-N 332.831 4.587 0 40 EJAB Nc1ccccc1NC(=O)c1ccc(-c2ccc(F)c(Cl)c2)o1 226349161 WZXWLAGIJZUFSU-UHFFFAOYSA-N 330.746 4.574 0 40 EJAB c1ccc([C@@H]2C[C@@]34OCCN3[C@@]3(CCCC[C@@H]23)Oc2ccccc24)cc1 252694431 KMZWVRIIHGSMOD-ZZTDLJEGSA-N 347.458 4.638 0 40 EJAB biogenic Cc1ccc(/C=C2\Sc3ccccc3NC2=O)cc1Br 409093918 BRZXATDESQJYMF-DHDCSXOGSA-N 346.249 4.843 0 40 EJAB CCOc1ccc(/C=C/C(=O)Nc2cccc(C)c2C)cc1OCC 147391 OCHJIEBXRRKNJF-ACCUITESSA-N 339.435 4.753 0 40 EJAB Cc1ccn2cc(-c3cccc(NC(=O)C4CCCCC4)c3)nc2c1 1393541 LOUIJOSESPZJAE-UHFFFAOYSA-N 333.435 4.829 0 40 EJAB Cc1cccn2c(NC(=O)c3cccs3)c(-c3ccccc3)nc12 5827166 DJMLNRSCZLXAEF-UHFFFAOYSA-N 333.416 4.624 0 40 EJAB CCCCC(=O)Nc1ccc(-c2cc3ccccc3oc2=O)c(C)c1 5951016 YVBPTKLZPJFXGI-UHFFFAOYSA-N 335.403 4.897 0 40 EJAB biogenic,in-vitro Fc1ccccc1COc1ccc(Cl)cc1CNCc1ccco1 7523703 JYDLMGMZFPEFEW-UHFFFAOYSA-N 345.801 4.941 0 40 EJAB CCC(=O)Nc1ccc(-c2csc(-c3cccc(OC)c3)n2)cc1 7844673 UQNRBYRMRLSUTN-UHFFFAOYSA-N 338.432 4.834 0 40 EJAB COc1ccc(CNC(=O)c2oc3c(ccc4ccccc43)c2C)cc1 7969319 WSRIAHVHEQIVHN-UHFFFAOYSA-N 345.398 4.833 0 40 EJAB COc1cccc(-c2nc(-c3ccc(F)cc3)c(C)s2)c1OC 8345934 KKQMFAOEVGDWMF-UHFFFAOYSA-N 329.396 4.942 0 40 EJAB CC(C)(C)NC(=O)c1ccccc1NC(=O)Nc1ccc(Cl)cc1 8556666 ODZPUCWBEOMNTP-UHFFFAOYSA-N 345.830 4.512 0 40 EJAB Cc1ccc(/C=C/c2nc3scc(CC(C)C)c3c(=O)[nH]2)s1 9481565 BOFSNWJUAKVZOS-VOTSOKGWSA-N 330.478 4.723 0 40 EJAB CCC[C@@H](NC(=O)c1[nH]nc(-c2ccccc2)c1C)c1cccs1 13996094 LADKCLWUHNXOBA-OAHLLOKOSA-N 339.464 4.718 0 40 EJAB CCOC(=O)c1sc2ncnc(Oc3cccc(C)c3C)c2c1C 15163669 JTWKTEJDRIHFBF-UHFFFAOYSA-N 342.420 4.586 0 40 EJAB Fc1ccc(COc2ccccc2CNCc2cccs2)cc1 16449786 RGFSQRSRKVZHRA-UHFFFAOYSA-N 327.424 4.756 0 40 EJAB Cc1cc(-c2nc3ccccc3[nH]2)ccc1NC(=O)c1ccccc1 20096582 ZGJLTYILBYXOIL-UHFFFAOYSA-N 327.387 4.791 0 40 EJAB O=C(Nc1ncccc1O)c1ccc(-c2ccc(Cl)cc2Cl)o1 22263905 FXUZAWVILGWCOQ-UHFFFAOYSA-N 349.173 4.606 0 40 EJAB CSc1ccc(/C=C/c2nc3n(n2)C=COc2ccccc2-3)cc1 24549645 GUWXHANAHKLCSD-DHZHZOJOSA-N 333.416 4.658 0 40 EJAB Cc1cc(NCc2c(F)cccc2Cl)ccc1N1CCCC1=O 32770367 MBKJAHOCCCMZOZ-UHFFFAOYSA-N 332.806 4.526 0 40 EJAB Cc1cc(Br)ccc1NC(=O)Nc1cc(F)ccc1F 51354442 IQPFANRUWTZCPT-UHFFFAOYSA-N 341.155 4.680 0 40 EJAB O=C(Nc1ccc(F)c(F)c1F)N1CCCC[C@@H]1Cc1ccccc1 58315141 AQRVQMRYUOXALD-CQSZACIVSA-N 348.368 4.733 0 40 EJAB O=C(Nc1ccccc1N1CCCC1)N1CCC(c2ccccc2)CC1 70006894 QUDURNQTJXDCPK-UHFFFAOYSA-N 349.478 4.698 0 40 EJAB O=C(c1ccccc1)N1CCC[C@H]1c1ccc(Nc2ccccc2)nc1 72214086 ZXLDDBRFXVCMHO-FQEVSTJZSA-N 343.430 4.803 0 40 EJAB Fc1ccccc1-c1nccnc1[C@@H]1CCCN(Cc2ccccc2)C1 72358347 QIOSPXZHLBMQEN-GOSISDBHSA-N 347.437 4.662 0 40 EJAB CC(C)N1CCC[C@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 72359298 MQJAKPTUTFTZPN-HNNXBMFYSA-N 349.400 4.750 0 40 EJAB O=C(NC1CCCCCC1)N(CCc1cccs1)Cc1ccco1 75170185 CGDKROZDIQVTCV-UHFFFAOYSA-N 346.496 4.818 0 40 EJAB CCc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1 78458036 GZYJZHGJLGNOEQ-DLBZAZTESA-N 325.452 4.511 0 40 EJAB C[C@@H](NC(=S)N[C@H]1CCc2c(Cl)cccc21)c1ccccc1 84656658 MAXCKAIDTGZYAL-PXAZEXFGSA-N 330.884 4.553 0 40 EJAB CC(C)Cn1ncc(C(=O)Nc2cc(F)ccc2Cl)c1C(F)F 89763755 ZOXYAKPFJJCDTQ-UHFFFAOYSA-N 345.752 4.522 0 40 EJAB O=C(CCc1ccccc1F)NCc1ccccc1-c1ccsc1 96122911 RSNAMDUOKGEENV-UHFFFAOYSA-N 339.435 4.803 0 40 EJAB COc1cccc2cc(C(=O)N3CCC(Cc4ccccc4)CC3)oc12 97074620 HQCNRRMKHLEYQE-UHFFFAOYSA-N 349.430 4.536 0 40 EJAB FC(F)(F)c1c(Br)cc(Cl)cc1Br 146534815 AJHKLHDFVHHJJE-UHFFFAOYSA-N 338.348 4.884 0 40 EJAB Cc1ccc(NC(=O)c2cnc(-c3ccc(Cl)cc3)nc2)c(C)c1 222602141 YXFZTGWIQKXMGG-UHFFFAOYSA-N 337.810 4.666 0 40 EJAB COc1ccccc1NC(=O)c1cc2cc3ccccc3nc2s1 223130495 SKEZGWLTJAQYQX-UHFFFAOYSA-N 334.400 4.710 0 40 EJAB CSc1ccc(Cl)cc1S(=O)(=O)Nc1ccccc1Cl 223434936 FCAIOYZPTGGSNM-UHFFFAOYSA-N 348.276 4.516 0 40 EJAB CCOc1ccccc1-c1ccc(C(=O)O)c(CCc2ccccc2)n1 257236629 HDAIHGLGGHHDCD-UHFFFAOYSA-N 347.414 4.631 0 40 EJAB CC1(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(C(F)(F)F)cc4)OCC[C@@]3(C2)[C@@H]1O 257265278 LXYWETFJQILEGP-HBPKQKSZSA-N 340.385 4.580 0 40 EJAB CO[C@@H](C)c1cccc(NC(=O)N[C@@H](C)C2CCC(F)(F)CC2)c1 653965085 ZIGDGWNASMCTFR-STQMWFEESA-N 340.414 4.730 0 40 EJAB Cc1ccccc1C(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1 260337 NZENNSRUPIGEKK-UHFFFAOYSA-N 326.396 4.818 0 40 EJAB CCCc1cc(=O)oc2c3c(ccc12)OCN(c1cc(C)cc(C)c1)C3 542933 GDSIAESOQUVYKZ-UHFFFAOYSA-N 349.430 4.719 0 40 EJAB COc1cc(NCCCCCC[C@H]2CCCCN2)c2ncccc2c1 1640915 OSBGDIBTBPEXDD-SFHVURJKSA-N 341.499 4.748 0 40 EJAB c1ccc([C@H]2C[C@@H](c3cccc4ccccc34)n3ncnc3N2)cc1 3215839 IWWVHBLLICZEHD-UXHICEINSA-N 326.403 4.578 0 40 EJAB COc1cc(SC)ccc1C(=O)Oc1ccc(C(C)(C)C)cc1 3321282 DRGBDICGMGPBRG-UHFFFAOYSA-N 330.449 4.934 0 40 EJAB O=C(COC(=O)c1ccccc1Oc1ccccc1)c1ccccc1 3380425 DEKDOVZSGKHPID-UHFFFAOYSA-N 332.355 4.519 0 40 EJAB Cc1ccc(C(=O)OCC(=O)c2ccc(Cl)cc2Cl)c(C)c1 3530552 BUNCSJQECURAFL-UHFFFAOYSA-N 337.202 4.650 0 40 EJAB Fc1ccc(C2=Nc3ccccc3C(c3ccc(Cl)cc3)=NN2)cc1 4129997 JHEBYDVZYDGDDL-UHFFFAOYSA-N 349.796 4.913 0 40 EJAB Cc1nc(SCc2cn3ccccc3n2)c2c(C)c(C)sc2n1 4491976 JGPKBPHHDAOMRH-UHFFFAOYSA-N 340.477 4.557 0 40 EJAB C[C@H]1CCC[C@H](N[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)[C@@H]1C 4546171 SFZFJLNLICHCTF-YVCBRDFCSA-N 348.490 4.756 0 40 EJAB CCc1ccc(N2C(=O)S/C(=C\C=C\c3ccco3)C2=O)cc1 5552745 OIBXUSCTGAMEGB-JLJGJNDSSA-N 325.389 4.639 0 40 EJAB FC(F)(F)c1cc(-c2ccccc2)nc2nc(N3CCCC3)sc12 6258025 IWVSOPDOAPVOMV-UHFFFAOYSA-N 349.381 4.977 0 40 EJAB O=C(Nc1ccc(Cl)c2ncsc12)c1ccc2ncsc2c1 7598984 MVYSPAKFTSRAED-UHFFFAOYSA-N 345.836 4.812 0 40 EJAB CC(C)OC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 8560891 ZWHOMJCBRNPQPK-UHFFFAOYSA-N 339.435 4.802 0 40 EJAB Cc1cccc(-c2cc(=O)c3cc(NC(=O)c4ccco4)ccc3o2)c1 9659964 PTYDQPBXNMSHQA-UHFFFAOYSA-N 345.354 4.614 0 40 EJAB biogenic COc1ccc(NC(=O)CCc2ccc(C(C)(C)C)cc2)c(OC)c1 10334138 GDYGBEWZYNSOOD-UHFFFAOYSA-N 341.451 4.573 0 40 EJAB COc1ccc(-c2csc(NC(=O)C3CCC3)n2)c2ccccc12 11449098 NDMGVPRDMOLYNC-UHFFFAOYSA-N 338.432 4.711 0 40 EJAB Cc1nc(-c2nc(N3CCCC3)ncc2-c2ccsc2)sc1C 12751345 QPWQRKXSMIEYID-UHFFFAOYSA-N 342.493 4.546 0 40 EJAB O=C(Nc1ccccc1Oc1ccccc1)C1C[C@@H]2CCC[C@H](C1)C2=O 12758747 LRAFBBLZVUIFMN-SJPCQFCGSA-N 349.430 4.813 0 40 EJAB Fc1ccc(CN(Cc2csc(-c3ccco3)n2)C2CC2)cc1 12767229 DXXKEIYIMDKEDB-UHFFFAOYSA-N 328.412 4.707 0 40 EJAB COc1cccc(NC(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)c1 13048522 UODRPBAPGXGYKI-NRFANRHFSA-N 346.430 4.915 0 40 EJAB COc1ccc(/C=C/C(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)cc1 15694895 ZSUCINSRBSTBFX-YKWSONSWSA-N 349.352 4.605 0 40 EJAB O=C(Cc1cccc2ccccc12)N(Cc1ccc(F)cc1)C1CC1 19311344 LFXQKWQCFVLQFK-UHFFFAOYSA-N 333.406 4.713 0 40 EJAB Cc1nn(-c2ccccc2)c2c1C(=O)C[C@@H](c1ccc(Cl)cc1)C2 20632723 HNYLHKDDPXLELV-HNNXBMFYSA-N 336.822 4.747 0 40 EJAB O=C(NC[C@@H]1CC2c3ccccc3C1c1ccccc12)[C@@H]1CC=CCC1 23055194 LSNFVEYRUDPOIN-FXAUUADQSA-N 343.470 4.756 0 40 EJAB C[C@@H](NCC1(c2ccccc2)CCCC1)c1nnc(-c2ccccc2)o1 25898266 WZJWIVXSBHYXNS-QGZVFWFLSA-N 347.462 4.899 0 40 EJAB CCN(C[C@H](O)COc1cc(C)ccc1C(C)C)C1CCCCC1 26771295 DTFWRWYCRBOTKA-IBGZPJMESA-N 333.516 4.513 0 40 EJAB CCC[C@](O)(c1ccccc1)[C@@H](CN1CCCCC1)c1ccccc1 27241980 FZFRYOBRYWNHTG-GOTSBHOMSA-N 337.507 4.944 0 40 EJAB Cc1cc2occ(CC(=O)N[C@H](C)c3cccnc3)c2cc1C(C)C 32731649 ZJCRLOYPRHCZHG-OAHLLOKOSA-N 336.435 4.680 0 40 EJAB O=C(c1ccc(Br)s1)N1CCC[C@@H]1c1cccs1 32988705 AWHVHIIBZLKIEP-SECBINFHSA-N 342.283 4.549 0 40 EJAB CN1/C(=C\C(=O)Nc2ccccc2)c2ccccc2CC12CCCCC2 33305815 WKMJKCOECWPBSA-PGMHBOJBSA-N 346.474 4.857 0 40 EJAB CCn1cc(C(=O)N(C)[C@H](C)c2ccccc2OC)c2ccccc21 40070320 KQINIKOWQQPIPI-OAHLLOKOSA-N 336.435 4.503 0 40 EJAB CCOc1ccccc1NC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 40098737 DEAJGIZDGJPTRT-ZDUSSCGKSA-N 332.831 4.964 0 40 EJAB Cc1nnc(NC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)s1 47938928 VJWMKHSKUQCYRX-HNNXBMFYSA-N 344.484 4.513 0 40 EJAB CCCCCN(C(=O)c1[nH]c2c(c1C)C(=O)CCC2)[C@H](C)CCC 58130070 KEMNIOHXOJPHOL-CQSZACIVSA-N 332.488 4.663 0 40 EJAB Cc1nnc(Sc2ccc(NC(=O)c3ccccc3)c(C)c2)s1 69654016 LQBSQTAAVGXOOM-UHFFFAOYSA-N 341.461 4.558 0 40 EJAB CCn1c(SCCc2ccccc2)nnc1-c1ccc(Cl)cc1 75339968 QXRORRDWZRBLMT-UHFFFAOYSA-N 343.883 4.953 0 40 EJAB COc1cc([C@H](C)NCc2scnc2C)ccc1SC(F)F 95421966 OHZHLQBHOIOIKC-VIFPVBQESA-N 344.452 4.626 0 40 EJAB Cc1cc(Br)ccc1C(=O)c1ccc(F)c(Cl)c1 95916174 XHURWURLNLUILS-UHFFFAOYSA-N 327.580 4.781 0 40 EJAB Cc1ccc2nc(C3CC3)cc(C(=O)N(C)[C@@H](C)c3ccncc3)c2c1 95963105 HVFQKMWZQKHEAY-HNNXBMFYSA-N 345.446 4.649 0 40 EJAB COc1cccc2cc([C@@H](C)NC[C@H](C)c3c(C)noc3C)oc12 95988122 IDCMKNZMXZBYAQ-NWDGAFQWSA-N 328.412 4.501 0 40 EJAB c1ccc([C@H]2C[C@]34OCCN3[C@]3(CCCC[C@H]23)Oc2ccccc24)cc1 102805913 KMZWVRIIHGSMOD-DAVBRLECSA-N 347.458 4.638 0 40 EJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc(C)cc1 113956533 QKVNCRIFHILNSY-RDTXWAMCSA-N 331.843 4.683 0 40 EJAB O=C(/C=C/c1cccs1)N1CCS[C@H](c2ccccc2F)CC1 219080095 GXXHZNUTZBXOBF-OZSKJFCKSA-N 347.480 4.607 0 40 EJAB CC(C)(C)c1ccc(OCCNC(=O)Nc2ccc(Cl)cc2)cc1 223657312 IEQFSSJNCOXXOH-UHFFFAOYSA-N 346.858 4.838 0 40 EJAB Cc1ccc(Nc2ccc(NC(=S)NCc3ccccc3)cn2)cc1 223924155 JMSWHUWYDHMQAJ-UHFFFAOYSA-N 348.475 4.620 0 40 EJAB CCc1ccc(CC)c(CNC(=O)c2cc3ccccc3cc2OC)c1 224606378 JKIQGQCLJCOKFP-UHFFFAOYSA-N 347.458 4.903 0 40 EJAB CCOc1ccccc1C[C@@H](Sc1ccc(Cl)cc1)C(=O)O 225105595 YHCQCGLEWDBWHB-MRXNPFEDSA-N 336.840 4.527 0 40 EJAB CCOc1cccc(CNC(=S)Nc2ccc(C(C)C)cc2)c1 225438332 ZIULUFBZPIHQLL-UHFFFAOYSA-N 328.481 4.695 0 40 EJAB CC[C@@H](NC(=O)CCc1ccc(C)cc1)c1ccc(OC)c(C)c1 225880758 HPJDISARSQKKHW-LJQANCHMSA-N 325.452 4.512 0 40 EJAB CCOc1cccc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)c1 408560411 ZDRGGKOFRSJIFQ-QGZVFWFLSA-N 333.840 4.517 0 40 EJAB CSc1ccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1 408815068 RLOACOVNTJIJHU-PTNGSMBKSA-N 327.430 4.649 0 40 EJAB CC(C)(C)OC(=O)Nc1csc(-c2ccc3c(c2)C(=O)CCC3)n1 2362804829 NQEKDCGKIDYIDD-UHFFFAOYSA-N 344.436 4.676 0 40 EJAB O=C1c2ccccc2C(=O)N1c1ccc(Oc2ccc(Cl)cc2)cc1 236139 GNGHRVIRBFSYDT-UHFFFAOYSA-N 349.773 4.933 0 40 EJAB Cc1cccc(NC(=O)[C@@H](C)n2c(C(F)(F)F)nc3ccccc32)c1 1394812 WVTIOKNGZQGZEJ-GFCCVEGCSA-N 347.340 4.563 0 40 EJAB O=C(Nc1cn(-c2ccccc2)nc1-c1cccs1)c1ccccc1 2647747 MKAAFJPJCXCCQU-UHFFFAOYSA-N 345.427 4.853 0 40 EJAB COc1cccc(C(=O)Nc2nc3c(C)ccc(Cl)c3s2)c1 2713895 KCBULDLIKQQOBK-UHFFFAOYSA-N 332.812 4.519 0 40 EJAB CCCC(=O)Nc1cc(C)c(O)c(-c2nc3ccccc3s2)c1 4988470 YWHACSONTWUWNW-UHFFFAOYSA-N 326.421 4.716 0 40 EJAB CCCOc1c(Cl)cc(C(=O)Nc2ccc(F)cc2)cc1OC 6138769 QEIVUDLDPWPSHX-UHFFFAOYSA-N 337.778 4.529 0 40 EJAB CC(=O)Nc1c(-c2ccccc2)sc(=S)n1-c1ccccc1 6158783 QATINGWFQAIZGM-UHFFFAOYSA-N 326.446 4.894 0 40 EJAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc(Cl)cc1F 7117286 MFIDFZYTIZWRPS-SNVBAGLBSA-N 348.830 4.922 0 40 EJAB Cc1ccc(Cl)cc1NC(=O)COc1ccccc1C(C)(C)C 8478777 QCOQGXWIXDTVHQ-UHFFFAOYSA-N 331.843 4.963 0 40 EJAB Cc1ccc(CN(C)C(=O)CCc2ncc(-c3ccccc3)o2)c(C)c1 12764946 NINMHTPYRWNIHD-UHFFFAOYSA-N 348.446 4.550 0 40 EJAB CCc1ccc([C@@H](NC(=O)c2cccc(OC(F)F)c2)C(C)C)cc1 12807274 IQYLVVWMGSBUAJ-SFHVURJKSA-N 347.405 4.978 0 40 EJAB Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3ccccc3F)c12 12892106 OMHUEPHZEYFPNP-UHFFFAOYSA-N 347.349 4.590 0 40 EJAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1cccc(Cl)c1 12942378 XHJNWDYDWLFLTJ-NSHDSACASA-N 330.840 4.783 0 40 EJAB CCOc1ccc(/C=C/C(=O)N2CCc3sccc3[C@@H]2CC)cc1 12996784 NHRLWWHYPSTAEV-HKMNZKMDSA-N 341.476 4.696 0 40 EJAB C[C@H](CCc1ccccc1)NC(=O)[C@@H](C)Oc1ccc2ccccc2c1 13708704 XFUXOPMVKPUVEQ-QZTJIDSGSA-N 347.458 4.745 0 40 EJAB Cc1cccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)cc2)n1 16362437 LUELTAGZOVCPFA-IBGZPJMESA-N 349.821 4.815 0 40 EJAB CCc1ccccc1O[C@H](C)C(=O)N[C@@H](CC)c1ccc(C)cc1 20105600 FMWKJSADZCCXAU-APWZRJJASA-N 325.452 4.592 0 40 EJAB FC(F)(F)c1ccc2nc([C@H]3CCN(C4CCCCC4)C3)[nH]c2c1 35446680 QHKQYFIJBOOTJW-LBPRGKRZSA-N 337.389 4.704 0 40 EJAB biogenic,in-vitro Cc1ccc(N(C(=O)c2cncc(Br)c2)C(C)C)c(C)c1 58155892 UTDQPOBEMIGPPT-UHFFFAOYSA-N 347.256 4.516 0 40 EJAB CC(C)(C)OC(=O)N1CCC[C@H](c2cccc(Br)c2)C1 72187434 WXELUJTUWXJRDE-ZDUSSCGKSA-N 340.261 4.564 0 40 EJAB COc1ccc(CNC2CCC(c3ccccc3)CC2)c(OC)c1 83927879 DNKUEFLORHCRAA-UHFFFAOYSA-N 325.452 4.520 0 40 EJAB Clc1ccc2cccnc2c1CSc1ncc2ccccn12 89878831 JJSFCJWFFNMYAT-UHFFFAOYSA-N 325.824 4.828 0 40 EJAB O=C(CCc1ccccc1Cl)Nc1ccc(N2CCCCC2)cc1 96655730 GMVCTQGKZVUMSF-UHFFFAOYSA-N 342.870 4.902 0 40 EJAB C[C@H]1[C@H]2NC(=S)N(c3cccc(Cl)c3)[C@@]1(C)Oc1ccccc12 100032828 HRDLQYJWHKFHLY-LSKLOWJMSA-N 344.867 4.521 0 40 EJAB CC(C)Oc1ccc(C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1 218984644 DLXCZMWNWKFUHH-SFHVURJKSA-N 339.435 4.506 0 40 EJAB C[C@H]1Cc2ccccc2N1C(=O)CSCc1ccc(Cl)cc1F 222699038 JJMDLBPWKNGVNK-LBPRGKRZSA-N 349.858 4.690 0 40 EJAB C[C@@H](NC(=O)CSCc1ccccc1)c1ccc2c(c1)CCCC2 222904160 NAEMLVJUPXMPJK-MRXNPFEDSA-N 339.504 4.676 0 40 EJAB CC(C)c1ccccc1OCCNC(=O)CCc1ccccc1Cl 223799851 SVVSKBOHTNTHAC-UHFFFAOYSA-N 345.870 4.591 0 40 EJAB Nc1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)ccc1F 226365461 AGQISDDGCLZEDU-UHFFFAOYSA-N 330.746 4.574 0 40 EJAB Cc1ccc2c3c(oc2c1)[C@@H]1OCC2(CCNCC2)C[C@H]1C(C)(C)C3 257202510 AMEHETXQLIRHNR-YLJYHZDGSA-N 339.479 4.771 0 40 EJAB O=C(CSCc1ccc(Cl)c(Cl)c1)N[C@@H]1C[C@H]2CC[C@H]1C2 260380248 OVOJTZXPQVHTOX-ITDIGPHOSA-N 344.307 4.531 0 40 EJAB CCCOc1ccc(C(=O)Nc2c(C)cccc2Cl)cc1OC 408618883 HRCTVGAHHSROTM-UHFFFAOYSA-N 333.815 4.698 0 40 EJAB O=C(NCCc1ccc(-c2ccsc2)s1)Nc1cccs1 575414082 QLSXNTCOVRWKRP-UHFFFAOYSA-N 334.491 4.902 0 40 EJAB COc1ccccc1-c1cc(C(=O)Nc2cccc(Cl)c2C)no1 423727 IDSMTTJOCAKBCC-UHFFFAOYSA-N 342.782 4.564 0 40 EJAB O=C(COc1ccc(-c2cnc3ccccc3n2)cc1)c1ccccc1 523750 BBKIHPCGZDVNMM-UHFFFAOYSA-N 340.382 4.559 0 40 EJAB CC(C)C[C@H](NC(=O)c1ccccc1Cl)c1nc2ccccc2[nH]1 1385907 GBGWTUUNQUIJRG-KRWDZBQOSA-N 341.842 4.734 0 40 EJAB COc1ccc2c(Cl)c(C(=O)NCC(C)C)sc2c1Cl 3296189 BLDFKTWGSCVIRB-UHFFFAOYSA-N 332.252 4.603 0 40 EJAB CCCCSc1nc(C)cc(C)c1S(=O)(=O)c1ccccc1C 4050109 WGAACEJHYNKCIN-UHFFFAOYSA-N 349.521 4.732 0 40 EJAB Cc1ccc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)c(C)c1 5598782 GNASEXINXWMMCO-UHFFFAOYSA-N 337.444 4.771 0 40 EJAB Cc1cc(C)cc(NC(=S)NCCSCc2ccccc2)c1 7369739 BYHCFCVDKBPHKQ-UHFFFAOYSA-N 330.522 4.523 0 40 EJAB Cc1ccc(Oc2ccc(NC(=O)c3cc(C)n(C)c3C)cc2)cc1 8051779 QQSSDLNNRWHCSF-UHFFFAOYSA-N 334.419 4.995 0 40 EJAB Cc1ccc(NC(=S)NCCOc2ccc3ccccc3c2)cc1 8108887 MCUYQUMGOBBGPB-UHFFFAOYSA-N 336.460 4.514 0 40 EJAB CCc1ccc(Nc2nc(C)c3c(n2)C[C@H](c2ccco2)CC3=O)cc1 10156878 IPDZYTVVQPXDRH-HNNXBMFYSA-N 347.418 4.597 0 40 EJAB C[C@H](Sc1ccc(Cl)cc1)C(=O)N1c2ccccc2C[C@H]1C 10449634 RSTLPDXKSRZMBS-OLZOCXBDSA-N 331.868 4.798 0 40 EJAB O=C(CCCc1c[nH]c2ccccc12)Nc1nc2ccccc2s1 13570494 XRKVPHZYIDATHJ-UHFFFAOYSA-N 335.432 4.739 0 40 EJAB CSc1cccc(NC(=O)Cc2csc(-c3cccs3)n2)c1 17335527 NIUVIHZSEIXRTP-UHFFFAOYSA-N 346.502 4.775 0 40 EJAB Cc1ccc(-c2nc(C(=O)N(C)C3CCC(C)CC3)cs2)cc1 25627491 IBQGCTTYBHIHFU-UHFFFAOYSA-N 328.481 4.769 0 40 EJAB Cc1c(C(=O)N(Cc2ccccc2F)C2CC2)oc2ccc(F)cc12 32741316 MNYWILBQOQLUDQ-UHFFFAOYSA-N 341.357 4.824 0 40 EJAB Clc1cc(Br)ccc1Oc1ncnc2ccccc12 32806214 WQBHDZLVWLEUDY-UHFFFAOYSA-N 335.588 4.838 0 40 EJAB C[C@H](Cc1cccs1)N(Cc1ccccc1)C(=O)c1ccoc1 32841404 NKJOWAHYGSPDKJ-OAHLLOKOSA-N 325.433 4.615 0 40 EJAB c1ccc(CN2CC[C@@H](NC3CCCCC3)[C@H](c3ccccc3)C2)cc1 34086993 GGBZYOBTRJQSDZ-BJKOFHAPSA-N 348.534 4.967 0 40 EJAB CN(Cc1ccccc1NC(=O)[C@@H]1CC=CCC1)C1CCCCC1 40049144 VYJGEKRKXOGXMM-QGZVFWFLSA-N 326.484 4.746 0 40 EJAB Cc1cc(NCC(C)C)n2nc(-c3ccc(Cl)cc3)c(C)c2n1 40217035 IBAHTZHPBLXLIH-UHFFFAOYSA-N 328.847 4.734 0 40 EJAB Cc1ccc(OCC(=O)N[C@@H](CC(C)C)c2ccccc2)cc1C 44849772 NNQGCWWIQZEQFA-FQEVSTJZSA-N 325.452 4.586 0 40 EJAB Cc1nc(-c2ccc(N[C@H](C)c3nc(C(C)(C)C)no3)cc2)cs1 46814987 YWFXSVQXZRRNDE-LLVKDONJSA-N 342.468 4.972 0 40 EJAB Cc1cc(C)cc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(C)cc2C)c1 59351623 PZAHXUNZLATZCF-ZWKOTPCHSA-N 325.452 4.565 0 40 EJAB Cc1noc(C)c1CC(=O)N(C1CC1)[C@@H](C)c1cccc2ccccc12 78872857 XTXORNYPRGFVSL-HNNXBMFYSA-N 348.446 4.739 0 40 EJAB Cc1ccc(C)c2c(C)c(C(=O)Nc3cccc(-n4cccn4)c3)oc12 84147919 YGXANTRSCYIWHZ-UHFFFAOYSA-N 345.402 4.796 0 40 EJAB CC(C)c1sc(Cl)nc1C(=O)Nc1ccc(C(F)(F)F)nc1 95480803 ZKVNWCWQBPSEIH-UHFFFAOYSA-N 349.765 4.586 0 40 EJAB Cc1cc(Nc2ncnc3c2oc2ccccc23)nn1[C@@H](C)C1CC1 96009798 MOCJPMIRXFGKHG-LBPRGKRZSA-N 333.395 4.596 0 40 EJAB O=C(Nc1sccc1-c1nc(C2CC2)no1)c1ccccc1Cl 206890692 FVHQIYKBGHBGGA-UHFFFAOYSA-N 345.811 4.581 0 40 EJAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(C)cc1C)c1ccc(C)cc1C 219535261 LCBHSPMJFDIPFT-UYAOXDASSA-N 339.479 4.955 0 40 EJAB CC[C@H](NC(=O)[C@H](C)Oc1cc(C)cc(C)c1)c1ccc(C)cc1C 219551292 DLRFWFBEQHFFEJ-RXVVDRJESA-N 339.479 4.955 0 40 EJAB Cc1cc(C)c([C@@H](C)NC(=O)COc2ccc(Cl)cc2)cc1C 223392606 ADUFTGKIAMNEKC-OAHLLOKOSA-N 331.843 4.521 0 40 EJAB S=C(NCCCc1ccccc1Cl)Nc1ccccc1Cl 225539471 FBTWCRQTCIWERE-UHFFFAOYSA-N 339.291 4.913 0 40 EJAB Cc1ccc(NC(=O)c2ccccc2Nc2nc(C)cc(C)n2)c(C)c1 225917382 QVRPYFXMMOTFFQ-UHFFFAOYSA-N 346.434 4.706 0 40 EJAB CC(C)N[P@@](=O)(O[C@H]1C[C@H](C)CC[C@@H]1C(C)C)c1ccccc1 263621490 ADULCGJWFWMRGU-NZQNYPKQSA-N 337.444 4.980 0 40 EJAB biogenic CC(C)(C)c1cnc(NC(=O)c2ccccc2OC2CCC2)s1 608174615 MBXMYYQBTBBVLI-UHFFFAOYSA-N 330.453 4.624 0 40 EJAB CC(C)(C)c1ccc(-c2csc(NNC3=NCCCCC3)n2)cc1 168048 HTIJSHDEAFZJCF-UHFFFAOYSA-N 342.512 4.997 0 40 EJAB COc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)c1 196445 HBCITSOAIWHLJJ-UHFFFAOYSA-N 344.370 4.756 0 40 EJAB Cc1ccc(C2=NN(C(=O)c3ccccc3C)[C@H](c3ccco3)C2)cc1 385972 CSTODFSXMPBQTQ-FQEVSTJZSA-N 344.414 4.888 0 40 EJAB COc1cccc(OC)c1/C=C/C(=O)Nc1cccc2ccccc12 574332 VJTFXGWAEBCXBQ-BUHFOSPRSA-N 333.387 4.509 0 40 EJAB Cc1c(-c2cccc(Br)c2)c(=O)oc2ccc(F)cc12 2243258 FEGDDNWPWJDHNM-UHFFFAOYSA-N 333.156 4.670 0 40 EJAB Cc1n[nH]c(C)c1CCCCCOc1ccccc1Br 2502351 HVTRUEIXHHISLC-UHFFFAOYSA-N 337.261 4.581 0 40 EJAB O=C(c1ccc(CN2CCCCC2)cc1)c1ccc(Cl)cc1F 2514527 FBUYXNTVMDKDJH-UHFFFAOYSA-N 331.818 4.696 0 40 EJAB Cc1ccc(/C=C/C(=O)Nc2nc(-c3ccc(F)cc3)cs2)o1 3483505 XOWINKCFJRLUGW-CMDGGOBGSA-N 328.368 4.503 0 40 EJAB O=C(Cc1ccc(F)cc1)Nc1cccc(-c2nc3ccccc3[nH]2)c1 5155411 LIBPUKYLKAEKIW-UHFFFAOYSA-N 345.377 4.550 0 40 EJAB COCCn1cc(NC(=O)Nc2ccccc2Cl)c2ccccc21 5266481 VOCPRNIDXYDNIB-UHFFFAOYSA-N 343.814 4.585 0 40 EJAB O=C(Nc1ccc(F)c(F)c1)c1cccnc1Sc1ccccc1 6840610 QSPDCKDUOKOAQC-UHFFFAOYSA-N 342.370 4.763 0 40 EJAB Cc1occc1-c1nnc(SCc2cccc3ccccc23)n1C 7236457 BZNAIPNTXXJBMB-UHFFFAOYSA-N 335.432 4.829 0 40 EJAB COc1ccc(-c2csc(-c3cccc(OC)c3OC)n2)cc1F 7987600 PPMAWKVRJBDICT-UHFFFAOYSA-N 345.395 4.642 0 40 EJAB CN(Cc1ccco1)c1ncnc2scc(-c3ccc(F)cc3)c12 8063925 OXPFLCYCWLKMKT-UHFFFAOYSA-N 339.395 4.727 0 40 EJAB CCS[C@H]1c2ccccc2C(=O)N1[C@@H](C)CCc1ccccc1 9425634 DRHRJCGGYNUMQG-YWZLYKJASA-N 325.477 4.915 0 40 EJAB O=C(CCC(=O)c1ccc(Cl)s1)NC1CCCCCCC1 9449296 WCBDNEARTPUXKN-UHFFFAOYSA-N 327.877 4.594 0 40 EJAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cccc(C(C)C)c1 12872732 JNSTYIHCUNVCSJ-OAQYLSRUSA-N 348.446 4.713 0 40 EJAB O=C(Nc1ccccc1)Nc1ccc(NC(=O)c2ccccc2F)cc1 12910267 CRSDNGSJTPCJRV-UHFFFAOYSA-N 349.365 4.722 0 40 EJAB c1ccc(-c2ccc(-c3nn4c(-c5ccco5)nnc4s3)cc2)cc1 13957001 OESIHBPYWLASNS-UHFFFAOYSA-N 344.399 4.780 0 40 EJAB Cc1ccc2oc(C(=O)Nc3nc4c(s3)C[C@H](C)CC4)c(C)c2c1 15833257 JLVYXOMMMOHPQC-LLVKDONJSA-N 340.448 4.883 0 40 EJAB O=C(Nc1ccc(F)cc1)N1CCS[C@@H]1c1ccccc1Cl 28232354 GXKXQJSRHHYADO-OAHLLOKOSA-N 336.819 4.759 0 40 EJAB C[C@H](NC(=O)c1c(F)cccc1Cl)c1ccc(-n2cccc2)cc1 32610319 XDODGAOZTCNKGM-ZDUSSCGKSA-N 342.801 4.761 0 40 EJAB COCOC(C)(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C(=O)CCC[C@@]21C 34770364 HSGIZUAUGQQEEU-KEODFZGNSA-N 336.516 4.999 0 40 EJAB Cc1ccc(-c2noc3nc(C)cc(C(=O)Nc4ccccc4)c23)cc1 36618458 CKTCAZOVLBXLLX-UHFFFAOYSA-N 343.386 4.759 0 40 EJAB COC(=O)c1cc(Nc2cccc(F)c2)c2cc(Cl)ccc2n1 38486591 CMGKWUMCYAZMAB-UHFFFAOYSA-N 330.746 4.558 0 40 EJAB C[C@@H](NC(=O)Nc1ccc(F)c(F)c1F)c1cccc(Cl)c1 40097385 PCKRBMCBLDIWMK-MRVPVSSYSA-N 328.721 4.640 0 40 EJAB CCCC[C@@H](CC)CNC(=O)Nc1ccc(NC(C)=O)c(Cl)c1 40104414 RMQRXRICYAYZRS-CYBMUJFWSA-N 339.867 4.636 0 40 EJAB O=C(Nc1ccc(F)cc1)Nc1cccc(-c2cn3ccccc3n2)c1 48985601 RXLZPUKENQHGLJ-UHFFFAOYSA-N 346.365 4.784 0 40 EJAB CCCn1ccc2cc(NC(=O)Nc3ccc(F)cc3F)ccc21 58054308 TUSDEDBNGYYELP-UHFFFAOYSA-N 329.350 4.974 0 40 EJAB CC(C)(C)C[C@H]1CCCN1C(=O)c1csc(-c2ccccc2)n1 60239536 AMGHRYIENPFSJG-OAHLLOKOSA-N 328.481 4.851 0 40 EJAB CCCN([C@H](C)c1cc2ccccc2o1)S(=O)(=O)c1cccs1 64960036 NFTAZPCPFLCOLK-CYBMUJFWSA-N 349.477 4.656 0 40 EJAB Cc1cc(C(=O)N[C@@H](c2ccc(C(C)C)cc2)c2cccs2)no1 71806189 WGUAJXJWOULJIT-SFHVURJKSA-N 340.448 4.687 0 40 EJAB CC(C)(C)c1ccc(C(=O)NCc2ccccc2C(F)(F)F)cc1 72331401 ZNARABXAQRMTGW-UHFFFAOYSA-N 335.369 4.933 0 40 EJAB CC(C)c1ccc2oc(-c3ccc(N)cc3Br)nc2c1 73639311 XSYOLDFHZYBKEM-UHFFFAOYSA-N 331.213 4.963 0 40 EJAB CC(=O)Nc1cc(C(=O)Nc2ccccc2SC(C)C)ccc1F 89891051 MWTPXTXOFDLZGP-UHFFFAOYSA-N 346.427 4.537 0 40 EJAB Cc1ccc(NC(=O)c2cc3c(c4ccccc4n3C)n2C)cc1C 96037252 CHVLVIDYHUUZDV-UHFFFAOYSA-N 331.419 4.539 0 40 EJAB Cc1ccc(CCC(=O)N2CCC(Cc3ccccc3)CC2)cc1C 96621639 PWJANXMUTDNVJV-UHFFFAOYSA-N 335.491 4.717 0 40 EJAB C[C@@H]1[C@@H](NC(=O)CCCc2ncc(-c3ccccc3)o2)CCC[C@H]1C 107088696 LTWZWGOPYMTSPH-RYRKJORJSA-N 340.467 4.605 0 40 EJAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccccc1SC 113969841 CHMXGGZUIYAXGM-QGZVFWFLSA-N 329.465 4.821 0 40 EJAB CC[C@H](Oc1ccc(C)cc1)C(=O)NCCCc1ccc(Cl)cc1 219587979 UHSWMRNGRLYONY-IBGZPJMESA-N 345.870 4.555 0 40 EJAB CC[C@H](NC(=O)Nc1cccc(Cl)c1)c1ccc(OC)c(OC)c1 222632363 VTUUCWIABPCRNO-HNNXBMFYSA-N 348.830 4.630 0 40 EJAB CC[C@H](Oc1ccc(C)cc1)C(=O)NCc1cccc2ccccc12 222877969 OKHRFBIVKYYYPB-NRFANRHFSA-N 333.431 4.622 0 40 EJAB COc1cc(C)c([C@H](C)NC(=O)CCc2ccccc2)cc1C(C)C 223272792 HFTOBWXYXDTPBA-KRWDZBQOSA-N 339.479 4.937 0 40 EJAB Cc1ccc(CC(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)c(C)c1 224230440 YPHVTXGWVMPVCF-LJQANCHMSA-N 337.463 4.573 0 40 EJAB CCC1(CC)C[C@@H](NC(=O)/C=C/c2ccccc2)c2ccccc2O1 224352840 KEIDGDNHHWTSOF-JUWJPQTCSA-N 335.447 4.899 0 40 EJAB Cc1cc(C)cc(C[C@@H](Oc2ccc(C(C)(C)C)cc2)C(=O)O)c1 225036614 CMVSMELKVWXSNN-LJQANCHMSA-N 326.436 4.676 0 40 EJAB CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(O[C@@H](C)CC)c(C)c1 225690058 OGQAIXCAZSYWFX-OXJNMPFZSA-N 335.488 4.952 0 40 EJAB Cc1nc(Oc2cccc3cccnc23)c2c3c(sc2n1)CCC3 350875 LLNFKLXIJZPQQJ-UHFFFAOYSA-N 333.416 4.829 0 40 EJAB CCCC[C@@H](CC)C(=O)Nc1cc(C(=O)OCC)ccc1Cl 2069860 NGFHHWCULRGJRZ-GFCCVEGCSA-N 325.836 4.672 0 40 EJAB O=C(Nc1ccc(O)c(Br)c1)c1ccc2ccccc2c1 3074227 NOKOABUFCKKTIV-UHFFFAOYSA-N 342.192 4.560 0 40 EJAB CN(C)c1cccc(C(=O)Oc2ccc(Cl)c3ccccc23)c1 3284143 ITSAYZMTMZPLAJ-UHFFFAOYSA-N 325.795 4.778 0 40 EJAB Cc1ccc(CNC(=O)CCC(=O)c2ccc(C(C)(C)C)cc2)cc1 3444272 BJSQEVDCWILOCE-UHFFFAOYSA-N 337.463 4.572 0 40 EJAB CC(C)OP(=O)(OC(C)C)[C@@H](N)CC12CC3CC(CC(C3)C1)C2 3900018 WUUDGCVRDYMTOY-AWDGRILASA-N 343.448 4.921 0 40 EJAB biogenic N=C1S/C(=C\c2ccc(O)cc2)C(=O)N1c1cccc2ccccc12 4698856 BUZVRTZBDWEISJ-MORMLQEESA-N 346.411 4.601 0 40 EJAB O=C(Oc1ccc(F)cc1Br)c1ccc2ccccc2c1 7058652 BYZRXRCGPXVKQJ-UHFFFAOYSA-N 345.167 4.961 0 40 EJAB O=C(NCCCc1ccccc1)c1cccc(OCc2ccccc2)c1 7668592 QFCULMYHOXRKOB-UHFFFAOYSA-N 345.442 4.628 0 40 EJAB CCc1cccc(C)c1NC(=O)c1csc(-c2cccs2)n1 7918755 JWQOXNUDCZEAED-UHFFFAOYSA-N 328.462 4.995 0 40 EJAB Cc1cccc(Nc2nc(N)nc(-c3oc4ccccc4c3C)n2)c1C 9088137 JSHQERWSYFEDRX-UHFFFAOYSA-N 345.406 4.536 0 40 EJAB CN(Cc1ccccc1Cl)C(=O)Nc1nc2ccccc2s1 9711323 UDIUBCYHCJVKKK-UHFFFAOYSA-N 331.828 4.614 0 40 EJAB O=C(CSc1nncn1C1CC1)c1ccc(C2CCCCC2)cc1 11722057 OIUUPQOVIKYUBI-UHFFFAOYSA-N 341.480 4.636 0 40 EJAB C/C=C/C=C/C(=O)Nc1c(-c2ccc(F)cc2)nc2cc(C)ccn12 12736100 SBNOIGKODPAAFM-VNKDHWASSA-N 335.382 4.520 0 40 EJAB CCOc1ccc(C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)cc1 12876934 WQWIZOXSMKBIAG-ZDUSSCGKSA-N 340.448 4.528 0 40 EJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N1c2ccccc2C[C@H]1C 20490080 COOUOLQAVKIERJ-ZHRRBRCNSA-N 345.442 4.975 0 40 EJAB Cc1ccc(-c2nc(S(=O)(=O)c3ccc(Cl)cc3)cs2)cc1 27562088 NIEOIVBGJFCFDB-UHFFFAOYSA-N 349.864 4.605 0 40 EJAB O=C1C[C@H](c2ccsc2)c2snc(-c3ccc(Cl)cc3)c2N1 35324584 GMNXZKPKGUCKDF-GFCCVEGCSA-N 346.864 4.999 0 40 EJAB Cc1cc2oc(C(=O)N3CCOC34CCCCC4)c(C)c2cc1Cl 35671079 VBBMPIZRLHGJPB-UHFFFAOYSA-N 347.842 4.836 0 40 EJAB CN(Cc1ccccc1NC(=O)[C@H]1CC=CCC1)C1CCCCC1 40049143 VYJGEKRKXOGXMM-KRWDZBQOSA-N 326.484 4.746 0 40 EJAB FC(F)(F)c1ccnc(Nc2ccc3nc(C4CC4)sc3c2)n1 63992605 WMFXOYPVURDTHZ-UHFFFAOYSA-N 336.342 4.726 0 40 EJAB O=C(N1CCC(c2ccsc2)CC1)C12CC3CC(CC(C3)C1)C2 77103671 WHGHHCLOTZLYKU-UHFFFAOYSA-N 329.509 4.671 0 40 EJAB C[C@H](c1ncc(-c2ccccc2)o1)S(=O)(=O)[C@H](C)c1cccs1 96471565 CDJTYNLYLQAJBI-CHWSQXEVSA-N 347.461 4.640 0 40 EJAB COc1ccc([C@H](C)NC(=O)c2ccccc2SC(C)C)cc1 113958896 GFNPUZFMKUSLBY-AWEZNQCLSA-N 329.465 4.687 0 40 EJAB Cc1cc(C)c([C@@H](C)NC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1C 223463570 PMXWVRSVLCUHQX-HZPDHXFCSA-N 345.870 4.910 0 40 EJAB CCOc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1COC(C)C 224713926 BZAXDEJZOPCZGH-MRXNPFEDSA-N 341.451 4.501 0 40 EJAB CN(C)C(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccccc1)N2 245296743 PNIQDALMXTWOSU-ULAMTYHHSA-N 346.474 4.685 0 40 EJAB O=C(NC1CCC(F)(F)CC1)C1(c2ccc(Cl)cc2)CCCC1 534940799 BQUAYHLUYAQTSJ-UHFFFAOYSA-N 341.829 4.846 0 40 EJAB Cc1ccc(C2=N/C(=C(\Cl)c3ccc(Cl)cc3)C(=O)O2)cc1 358786 OEFIITBVJINFOB-PFONDFGASA-N 332.186 4.559 0 40 EJAB CC1(C)Cc2ccccc2-c2nnc(SCc3ccc(F)cc3)n21 420121 QTGCUMUILDWBFT-UHFFFAOYSA-N 339.439 4.668 0 40 EJAB Cc1ccc(Nc2ncnc3c2cnn3-c2ccc(Cl)cc2)cc1C 426385 ARACKNPNFLAVQG-UHFFFAOYSA-N 349.825 4.829 0 40 EJAB Cc1c(C(=O)Nc2ccccc2)sc2nc(-c3ccccc3)cn12 429798 WDYZAOGZOXAMCD-UHFFFAOYSA-N 333.416 4.624 0 40 EJAB O=Cc1nc(-c2ccccc2Cl)c2cc(Br)ccc2n1 507914 QASKIUOZZWHNPZ-UHFFFAOYSA-N 347.599 4.525 0 40 EJAB CC(=O)N1N=C(c2cccc(Cl)c2)O[C@H]1c1ccc(C(C)C)cc1 2393741 FHHASPRPAFEHOX-IBGZPJMESA-N 342.826 4.703 0 40 EJAB COc1ccccc1NC(=O)c1ccc(CSc2ccccc2)o1 2708415 PPKRADZOGNZYQN-UHFFFAOYSA-N 339.416 4.833 0 40 EJAB O=C(Nc1ccc(Br)cc1F)c1c(F)cccc1Cl 3562122 GWEHSCWJHHCGTI-UHFFFAOYSA-N 346.558 4.633 0 40 EJAB C[C@H]1CCCCN1CC(=O)Nc1ccccc1Sc1ccccc1 3583703 WTMAWVDVNDTYRK-INIZCTEOSA-N 340.492 4.651 0 40 EJAB C[C@]12CC[C@@H]3[C@H](CC[C@H]4CC(CC(=O)O)=CC[C@@]43C)[C@@H]1CCC2=O 3849766 ZMIHCYKKQDEVNI-PJOLERSMSA-N 330.468 4.609 0 40 EJAB CC(=O)NCC[C@@H]1[C@@H](c2c(C)[nH]c3c2ccc2ccccc23)C1(C)C 5477730 LXJVNXPZQCZABX-QUCCMNQESA-N 334.463 4.895 0 40 EJAB CCCOc1cccc(C(=O)Nc2ccc(CN(CC)CC)cc2)c1 6943092 YLSGDOWIXALYCE-UHFFFAOYSA-N 340.467 4.570 0 40 EJAB COc1ccc(CNC23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)c(OC)c1 8534535 YPKNXOYONVENHG-LVBDODCMSA-N 329.484 4.542 0 40 EJAB CCSc1cc2c(cc1O)CC[C@@H]1[C@H]2CC[C@@]2(C)[C@@H](O)CC[C@H]12 8665616 OBPZKZMDIDKGHG-KIJMYCCXSA-N 332.509 4.721 0 40 EJAB Cc1ccsc1CN(C[C@@H]1CCCO1)C(=O)c1ccc(Cl)cc1 8869402 HWQCCGSHXQZBHH-INIZCTEOSA-N 349.883 4.531 0 40 EJAB CN(C)c1ccc(Nc2ncnc3scc(-c4ccccc4)c23)cn1 12979885 PSXTUIZOAJFSBH-UHFFFAOYSA-N 347.447 4.563 0 40 EJAB O=C(CCSCc1ccccc1)Nc1ccccc1C(F)(F)F 13687966 BRLAZBZAVUXVGY-UHFFFAOYSA-N 339.382 4.967 0 40 EJAB COc1ccc([C@@H](C)NC(=S)Nc2ccc(C)c(Cl)c2)cc1 13932686 ZOGWTIPAQUMMIO-GFCCVEGCSA-N 334.872 4.705 0 40 EJAB Cc1ccc2c(CC(=O)N[C@H](C)CCc3ccccc3)coc2c1C 14125750 AFMCKMRKADJWFX-MRXNPFEDSA-N 335.447 4.730 0 40 EJAB O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(Cl)nc1 14709141 KSOUEEDHMYHURP-UHFFFAOYSA-N 349.777 4.796 0 40 EJAB O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1Cl 17064516 DKONHKRXHNNOQL-UHFFFAOYSA-N 348.151 4.942 0 40 EJAB CC(=O)Nc1ccc(-c2csc(NC3CCCCC3)n2)c(F)c1 18941232 BJAWVKUZWUSGQM-UHFFFAOYSA-N 333.432 4.652 0 40 EJAB Cc1ccn2cc(C(=O)Oc3ccc(Cl)c4ccccc34)nc2c1 19679364 AHDUFENBAXWPIS-UHFFFAOYSA-N 336.778 4.669 0 40 EJAB COc1ccc(S[C@@H](C)C(=O)Nc2cccc(OC(C)C)c2)cc1 19932599 NPNXBFDSISLOKQ-AWEZNQCLSA-N 345.464 4.602 0 40 EJAB Cc1ccc(OCCCC(=O)N[C@H](C)c2ccc(C)cc2C)cc1 20460058 AUEMYDNPTIFXEB-GOSISDBHSA-N 325.452 4.648 0 40 EJAB CCCCc1ccc(NC(=O)CCc2ccc(OC)c(OC)c2)cc1 20491515 QLDNQYWBJWCDQP-UHFFFAOYSA-N 341.451 4.618 0 40 EJAB Cc1ccc(-n2ncc3c2C[C@@H](c2ccc(Cl)cc2)CC3=O)cc1 20632949 XXGNGEYGPVFSEM-OAHLLOKOSA-N 336.822 4.747 0 40 EJAB C[C@@H]1CCN(C(=O)c2cccc3ncccc23)c2ccccc2S1 23200041 BOZOZWPSSYVURT-CQSZACIVSA-N 334.444 4.766 0 40 EJAB Cc1cc(OCc2ccc(C(=O)N3CCC(C)CC3)o2)ccc1Cl 27937719 IVPDDMQKCMCISV-UHFFFAOYSA-N 347.842 4.693 0 40 EJAB O=C(Nc1ccccc1C(F)(F)F)c1cccc(C(F)(F)F)c1 28210819 SAESNUITSDUZSY-UHFFFAOYSA-N 333.231 4.977 0 40 EJAB CCn1c2ccccc2c2cc(NC(=O)Nc3cc(C)on3)ccc21 48326148 SGIWBPIHQBONAA-UHFFFAOYSA-N 334.379 4.755 0 40 EJAB CC[C@@H](C)N1COc2c(cc3c(-c4ccccc4)cc(=O)oc3c2C)C1 57134842 DNLUCONPWVCIGA-CQSZACIVSA-N 349.430 4.719 0 40 EJAB biogenic Cc1ccc2oc(-c3cc(NC(=O)CC(C)C)cc(C)c3O)nc2c1 70462033 GTFMXGIIJPKQIW-UHFFFAOYSA-N 338.407 4.802 0 40 EJAB CC(C)N(Cc1ccco1)C(=O)c1cc(-c2cccc(Cl)c2)no1 89869650 JBVRIRUGHQLTJB-UHFFFAOYSA-N 344.798 4.639 0 40 EJAB CCOC(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 105572093 HTNICMBZGOLHCB-UHFFFAOYSA-N 325.191 4.749 0 40 EJAB CCSc1ccccc1C(=O)NCCCc1ccc(Cl)cc1 219645796 STRIFZKHSGMLTF-UHFFFAOYSA-N 333.884 4.815 0 40 EJAB Cc1ccccc1CSCCNC(=O)CCc1ccccc1Cl 220012516 BRZXTBUUSYMQDD-UHFFFAOYSA-N 347.911 4.631 0 40 EJAB Cc1ccc(O[C@@H](C)C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)c(C)c1 223472209 VWCBOQKSBPSOCN-OALUTQOASA-N 339.479 4.873 0 40 EJAB C[C@H]1C[C@H]1N(C(=O)c1cnc2onc(C(C)(C)C)c2c1)c1ccccc1 576805943 WJELGXYHWFGZQA-SUMWQHHRSA-N 349.434 4.576 0 40 EJAB CC(=O)Oc1ccc(-c2nc(-c3ccccc3)c3ccccn23)cc1 189844 QSBLLSIWWWSWHS-UHFFFAOYSA-N 328.371 4.594 0 40 EJAB Cc1ccc(OC(=O)[C@H](C)c2cccc(C(=O)c3ccccc3)c2)cc1 363666 CLEPEPHCSXGSIY-QGZVFWFLSA-N 344.410 4.935 0 40 EJAB CC(C)Oc1ccc([C@@H](CC(=O)NCc2ccco2)C(C)C)cc1 488684 KFVAQFSKBCHDAG-IBGZPJMESA-N 329.440 4.513 0 40 EJAB biogenic CCOc1ccccc1C(=O)N(Cc1ccccc1)Cc1ccccc1 1631378 HXTZKTKWAMMTDN-UHFFFAOYSA-N 345.442 4.928 0 40 EJAB COc1cc(Cl)c(C)cc1NC(=O)CCCOc1cccc(C)c1 1910560 SHVAIBIOGZUKPF-UHFFFAOYSA-N 347.842 4.763 0 40 EJAB CCCCCOc1ccc([C@@](O)(CCN(C)C)C2CCCCC2)cc1 2193325 FCOCMDJFHNPRQP-JOCHJYFZSA-N 347.543 4.975 0 40 EJAB Cc1ccc([C@@](O)(CCN2CC[C@@H]3CC[C@@H](C3)C2)c2ccccc2)cc1 4934793 BXLMOHLIEPHHHR-AWRGLXIESA-N 349.518 4.743 0 40 EJAB Cc1ccc2[nH]c(S[C@@H](C)c3nnc(-c4ccccc4)o3)nc2c1 5165185 VMQVLDNZRFWDDH-LBPRGKRZSA-N 336.420 4.775 0 40 EJAB O=C(Cc1ccc(F)cc1)Nc1nc(-c2ccc(Cl)cc2)cs1 5268289 ABXQBPOPTGAOMF-UHFFFAOYSA-N 346.814 4.784 0 40 EJAB O=C1c2ccccc2CC[C@]12N=NC[C@H]2c1cccc2ccccc12 6252896 PMTPINJVWYIZMT-RBBKRZOGSA-N 326.399 4.957 0 40 EJAB CC(=O)Nc1ccc(SCc2cc(-c3cccs3)on2)cc1 7767065 VZSGGAAQJCIWMF-UHFFFAOYSA-N 330.434 4.654 0 40 EJAB COc1cccc(NC(=S)N[C@H](CC(C)C)c2ccccc2)c1 8085077 OJUYULREHXQTAY-GOSISDBHSA-N 328.481 4.769 0 40 EJAB Cc1cc(C)c2c3ccccc3n(CCNC(=O)C3CCCCC3)c2n1 8169758 USOLTUSWCJZSEG-UHFFFAOYSA-N 349.478 4.503 0 40 EJAB Brc1ccccc1-c1csc(NCc2ccco2)n1 8718177 IXQZCXAZEPZPRX-UHFFFAOYSA-N 335.226 4.778 0 40 EJAB CCCn1c(C)c(C)c(-c2nc3ccccc3[nH]2)c1NC(=O)C(C)C 9060177 AIVCSLOJJLHJFY-UHFFFAOYSA-N 338.455 4.653 0 40 EJAB S=C(NCc1ccccc1Cl)c1ccc(Br)cc1 9188175 SSCATENJPRFDID-UHFFFAOYSA-N 340.673 4.568 0 40 EJAB Cc1ccc(CCCNC(=O)CCSc2ccc(C)cc2)cc1 10110403 WHOBERMAIIUIQQ-UHFFFAOYSA-N 327.493 4.535 0 40 EJAB CCc1ccc(CCC(=O)Nc2ccc(Br)c(C)c2)cc1 10338591 JVRPPTZZPPOYGU-UHFFFAOYSA-N 346.268 4.891 0 40 EJAB COc1ccc(NC(=O)N2CCS[C@@H]2c2ccc(Cl)cc2)cc1 13566822 ZYXIOXJKVLETCB-MRXNPFEDSA-N 348.855 4.628 0 40 EJAB Cc1ccc(C)c([C@@H](C)NC(=O)CCc2nc3ccccc3s2)c1 14201684 KGKGSCOHMWCYQX-OAHLLOKOSA-N 338.476 4.723 0 40 EJAB Cc1csc(-n2c(C)cc(-c3csc(NC4CC4)n3)c2C)n1 14234130 CREAENRFUKJPDP-UHFFFAOYSA-N 330.482 4.557 0 40 EJAB Cc1ccc(C(=O)CCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 15411676 XDRHEIOPVKAENJ-UHFFFAOYSA-N 336.218 4.903 0 40 EJAB CCCCOc1ccc(C(=O)Nc2c(C)cccc2C)cc1OC 15992623 BUQJFKSQIKKWKR-UHFFFAOYSA-N 327.424 4.743 0 40 EJAB Cc1ccccc1[C@@H](NC(=O)/C=C/c1ccccc1)c1ccccc1 20040848 PNKDCHRFCBMBMV-OFYULWLWSA-N 327.427 4.914 0 40 EJAB Cc1ccc([C@H](C)NC(=O)CSCc2cccc(Cl)c2)cc1 20458917 DVJCXVIGPMDAAK-AWEZNQCLSA-N 333.884 4.759 0 40 EJAB CCN(CC)Cc1cccc(NC(=O)c2c(F)cccc2Cl)c1 24927722 KTVJNAKYEKGTEO-UHFFFAOYSA-N 334.822 4.573 0 40 EJAB CC(C)c1ccccc1O[C@H](C)C(=O)N[C@@H](C)CCc1ccccc1 30848375 CVCVXENVGHVSIY-ZWKOTPCHSA-N 339.479 4.715 0 40 EJAB O=C(Nc1cccnc1Cl)c1ccc(-c2ccc(Cl)cc2)o1 59294101 ZAGOCVTVSUDAHR-UHFFFAOYSA-N 333.174 4.901 0 40 EJAB Cc1cc(N2CCCc3ccccc32)ncc1[C@H](N)c1ccccc1 72223926 QXMJYURJILUCDK-JOCHJYFZSA-N 329.447 4.522 0 40 EJAB CCNc1ccc(Cl)cc1NC(=O)Cc1c(C)[nH]c2ccccc12 95995418 HBVCXZIPJUSDNS-UHFFFAOYSA-N 341.842 4.743 0 40 EJAB Cc1cccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)c1F 96171044 GWQPZRKGBQCKKT-UHFFFAOYSA-N 328.265 4.677 0 40 EJAB CCOC(=O)c1cc(Cl)c(OCc2ccc(C)cc2)c(OCC)c1 216828842 GTYZQVUGDYUXOU-UHFFFAOYSA-N 348.826 4.803 0 40 EJAB CC[C@@H](Oc1ccccc1F)C(=O)N[C@H](CC)c1ccc(C)c(C)c1 219582249 NFPWYHUYJUPVIF-RTBURBONSA-N 343.442 4.867 0 40 EJAB Cc1ccc(N2CCC(C(=O)Nc3cc(Cl)ccc3C)CC2)cc1 219852542 RLDOPHOVNXDUFL-UHFFFAOYSA-N 342.870 4.812 0 40 EJAB O=C(COc1cccc2ccccc12)NCc1cccc2ccccc12 222863683 BOQXKXJUXCNBDM-UHFFFAOYSA-N 341.410 4.688 0 40 EJAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1OC 222909304 SITIWDBUCDOKJQ-SFHVURJKSA-N 341.451 4.789 0 40 EJAB C[C@@H](CC(C)(C)c1ccccc1)NC(=O)CCc1ccc(F)cc1 223197516 SCAOVGYGIAWCAM-INIZCTEOSA-N 327.443 4.631 0 40 EJAB COc1ccc(C(=O)Nc2ccccc2Cl)cc1COC(C)C 224424430 PHRJMVXJRXEPMQ-UHFFFAOYSA-N 333.815 4.526 0 40 EJAB Cc1cccc(O[C@@H](Cc2ccccc2Oc2ccccc2)C(=O)O)c1 225138326 NNVZCCUEFKGMDJ-NRFANRHFSA-N 348.398 4.862 0 40 EJAB CC1(C)Oc2c(O)cccc2[C@H]2O[C@H]3CCc4ccccc4[C@H]3C[C@@H]21 257303040 SFNPYWZETKKMGD-LCLWPZTBSA-N 336.431 4.739 0 40 EJAB CC(C)(C)C(=O)N1CCCC[C@H]1c1ncc(Cc2ccccc2F)o1 585261100 GFCLLQGWOWGROM-KRWDZBQOSA-N 344.430 4.504 0 40 EJAB Fc1ccc(-c2sc3ncnc(Cl)c3c2Br)o1 644158619 OEBAPNYAYMNZBF-UHFFFAOYSA-N 333.569 4.506 0 40 EJAB COc1cc(NC(=O)c2cc(-c3ccccc3)ccn2)ccc1Cl 1519815976 HVKOVRXENLXQQF-UHFFFAOYSA-N 338.794 4.663 0 40 EJAB Cc1ccc(-n2c(-c3ccccc3F)nc3ccccc3c2=O)cc1C 69896 QVWQOUHHTCAFPB-UHFFFAOYSA-N 344.389 4.809 0 40 EJAB O=C(c1ccccc1Cl)n1c(Cc2ccccc2)nc2ccccc21 87747 OCOQIQMCHOWZKO-UHFFFAOYSA-N 346.817 4.969 0 40 EJAB CCOc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCC3 550563 LKNJXEKEIVLNFN-UHFFFAOYSA-N 347.443 4.794 0 40 EJAB CCc1c(C)nc2cc(-c3cccs3)nn2c1N1CCC(C)CC1 1341789 KQEMIPYVXGGIRI-UHFFFAOYSA-N 340.496 4.565 0 40 EJAB Cc1ccc(-c2nc(NC(=O)c3c(C)noc3C)sc2C)cc1C 2743796 HRJGYJQFBNEHOS-UHFFFAOYSA-N 341.436 4.593 0 40 EJAB Cc1cc(C)c(NC(=O)COc2ccc(F)c(Cl)c2)c(Cl)c1 3415765 YVJUNFNPLZRVGS-UHFFFAOYSA-N 342.197 4.767 0 40 EJAB Cc1cc(NC(=O)Cc2ccccc2Cl)ccc1Br 3562135 DBNMTIDTPNCJKN-UHFFFAOYSA-N 338.632 4.592 0 40 EJAB O=C(Cc1ccccc1Cl)NC(c1ccccc1)c1ccccc1 3615295 BCQPEWOPLVNWGX-UHFFFAOYSA-N 335.834 4.788 0 40 EJAB CC(C)c1ccc(Nc2c(-c3ccc(O)cc3)nc3cnccn23)cc1 3896490 AWJSEGACNRFOKC-UHFFFAOYSA-N 344.418 4.969 0 40 EJAB Cc1ccc(C2=NNC(c3cccs3)=Nc3ccc(C)cc32)cc1 4129968 QNZSXDKGOCUJNC-UHFFFAOYSA-N 331.444 4.799 0 40 EJAB O=C(c1ccccc1)N1N=C(c2cccs2)C[C@H]1c1ccccc1 6241773 ILGUATBDSGMLHJ-SFHVURJKSA-N 332.428 4.740 0 40 EJAB Cc1ccc(OCc2cc(-c3ccco3)on2)c(Br)c1 7023626 KZASESBQUUMSOS-UHFFFAOYSA-N 334.169 4.585 0 40 EJAB COc1ccc(S[C@@H](C)C(=O)Nc2ccc3ccccc3c2)cc1 7790431 ALCDTUUFCLOVBK-AWEZNQCLSA-N 337.444 4.968 0 40 EJAB CCc1ccc(-c2noc(CN3CCC[C@H]3c3cccs3)n2)cc1 8389182 LERJZHCPQJFMJX-INIZCTEOSA-N 339.464 4.698 0 40 EJAB O=C(CN(C1=NCCCC1)c1ccc(Cl)cc1)c1ccc(F)cc1 8418610 HRVFOYKUOLKQAE-UHFFFAOYSA-N 344.817 4.751 0 40 EJAB CCC[C@@H](O)c1nc2ccccc2n1CCOc1ccccc1Cl 11692492 YWWMTMCPOJXCSH-QGZVFWFLSA-N 344.842 4.602 0 40 EJAB COc1ccc(-c2nnc([C@H](C)Sc3ncccc3Cl)o2)cc1 12997995 OPCKZZNOGCMKIP-JTQLQIEISA-N 347.827 4.647 0 40 EJAB Cc1ccc(OCc2cc(-c3cccs3)on2)c2c1[C@@H](C)CC2=O 14373760 GSIJMPXNFZZBHQ-LBPRGKRZSA-N 339.416 4.980 0 40 EJAB CCc1ccc(NC(=O)CSc2nccn2C2CCCCC2)cc1 15825312 VTOBAXAKQYUNBN-UHFFFAOYSA-N 343.496 4.682 0 40 EJAB Cc1ccc(S[C@@H](C)C(=O)N[C@H]2CCCc3ccccc32)cc1 21838645 CFWAPUZUMAAZAY-KXBFYZLASA-N 325.477 4.669 0 40 EJAB O=C(Nc1cnc2ccccc2c1)c1occc1COc1ccccc1 25157476 FDNHIKPUXUXTSQ-UHFFFAOYSA-N 344.370 4.659 0 40 EJAB Cn1ccnc1[C@H](NCc1ccc(C(C)(C)C)cc1)c1ccccc1 30643070 SKAIJEKSVIBKIT-HXUWFJFHSA-N 333.479 4.597 0 40 EJAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 44904155 PGPNPAVZXSEUMB-HNNXBMFYSA-N 342.197 4.929 0 40 EJAB O=C(OCc1ccccc1)N1CCC[C@H]1c1ccc2ncccc2c1 72221783 LSWYJXHNVVPVFN-FQEVSTJZSA-N 332.403 4.709 0 40 EJAB CC(C)c1nccn1-c1cccc([C@@H]2CCCN(C3CCCC3)C2)n1 72379136 HHONOEALTFJAFN-QGZVFWFLSA-N 338.499 4.513 0 40 EJAB CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CCC(=O)C[C@]4(C)[C@H]3CC[C@@]21C 118912675 SYTVBUBBHFDVIK-UWSHXLKQSA-N 332.484 4.530 0 40 EJAB CCCOc1ccc(C(=O)N[C@H](CC)c2ccc(C)c(C)c2)cc1 218982995 SAOLAFOIDYHLLJ-HXUWFJFHSA-N 325.452 4.973 0 40 EJAB CCCCOc1c(Br)cc(C(C)(C)C)cc1C(=O)O 225283827 ZVGBIVKODBGUPG-UHFFFAOYSA-N 329.234 4.624 0 40 EJAB CC(=O)c1cccc(NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)c1 225838327 RLWFEGVPCPTLMN-INIZCTEOSA-N 339.435 4.727 0 40 EJAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]4C[C@@H](C)C(=O)[C@@]4(C)CC[C@H]32)C1 245239607 KXXNUNSCEDGUDA-JAZZJUSJSA-N 346.511 4.776 0 40 EJAB Cc1ccccc1CCC(=O)N1CCCC[C@@H]1CSC(C)(C)C 390830342 KJWVHJRTJHWFGX-GOSISDBHSA-N 333.541 4.840 0 40 EJAB O=C(CC1CCSCC1)Nc1nc2c(ccc3ccccc32)s1 531888711 QZHUHTQFEZCYFR-UHFFFAOYSA-N 342.489 4.921 0 40 EJAB O=C(Nc1ccc(CN2CCCC2)cc1)c1ccc2ccccc2c1 514876 JSPJAAFWNFBYQC-UHFFFAOYSA-N 330.431 4.688 0 40 EJAB O=C(Nc1nc(-c2ccc(OC(F)F)cc2)cs1)c1ccccc1 3194472 OVSWPORZRCCOFD-UHFFFAOYSA-N 346.358 4.664 0 40 EJAB CC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccco2)N3)C1 4153189 WKVHBNOJINAGIT-BONVTDFDSA-N 330.453 4.921 0 40 EJAB aggregator O=C(Nc1nc(-c2cccs2)cs1)c1ccc(Cl)s1 4176513 VTEPOGJTRWTCPH-UHFFFAOYSA-N 326.855 4.839 0 40 EJAB aggregator O=C(c1ccco1)N1N=C(c2cccs2)C[C@H]1c1ccc(Cl)o1 4248220 GRJHSQHPDUUODZ-NSHDSACASA-N 346.795 4.579 0 40 EJAB COc1ccc(C(=O)Nc2nc3ccc(C(C)C)cc3s2)cc1 4348345 LOQFRWLTQRTBHQ-UHFFFAOYSA-N 326.421 4.681 0 40 EJAB Fc1cccc(Cl)c1Cn1c([C@H]2CCCO2)nc2ccccc21 4386854 KPXKNCDJXFZHJL-QGZVFWFLSA-N 330.790 4.729 0 40 EJAB Cc1cccc(NC(=O)N2CCn3cccc3[C@H]2c2ccc(F)cc2)c1 4854356 PQENLYCHNJLQTD-HXUWFJFHSA-N 349.409 4.573 0 40 EJAB CCn1c(SCC(=O)c2cc(C)sc2C)nc2ccccc21 5165293 IPYFNEZVNMMQKS-UHFFFAOYSA-N 330.478 4.710 0 40 EJAB Cc1ccc(-n2c(=S)[nH]c3sc4c(c3c2=O)[C@H](C)CCC4)cc1 5818347 CNBBWDBUXZAIAN-LLVKDONJSA-N 342.489 4.858 0 40 EJAB CC(C)CCC(CCC(C)C)NC[C@@H](C)OC(=O)c1ccc(N)cc1 5834643 TWVTWCBIIFGPRH-QGZVFWFLSA-N 348.531 4.645 0 40 EJAB CN(C)[C@H]1CCc2c(ccc3ccccc23)[C@H]1OC(=O)c1ccccc1 6437270 MABOKCQFSCINST-FCHUYYIVSA-N 345.442 4.614 0 40 EJAB CCCCCC(=O)NCc1sc(-c2ccc(Cl)cc2)nc1C 6782956 LDTXDZZSXOOMEY-UHFFFAOYSA-N 336.888 4.968 0 40 EJAB CCOc1ccc(NC(=O)CCCc2nc3ccccc3s2)cc1 6788473 PQBFBIFWBNVILY-UHFFFAOYSA-N 340.448 4.656 0 40 EJAB CC(=O)Nc1ccc(-c2csc(Nc3ccc(F)cc3)n2)c(F)c1 8042180 LXJOCIWLNBLDDL-UHFFFAOYSA-N 345.374 4.790 0 40 EJAB c1nc(Oc2ccc(C3SCCS3)cc2)c2ccsc2n1 8063697 CWGCYVUWMYWBMB-UHFFFAOYSA-N 332.475 4.962 0 40 EJAB Cc1ccc2c(CC(=O)N(Cc3ccc(F)cc3)C3CC3)coc2c1 9548817 IOBDBWAZZVDMDA-UHFFFAOYSA-N 337.394 4.614 0 40 EJAB O=C(CSc1nc2ccc(Cl)cc2[nH]1)c1c[nH]c2ccccc12 12508111 LDBMUOFBARYYRY-UHFFFAOYSA-N 341.823 4.673 0 40 EJAB O=C(NC(c1ccccc1)c1ccccc1)c1cc(Cl)ccc1F 15583064 AKPWZMXYRKFDDD-UHFFFAOYSA-N 339.797 4.999 0 40 EJAB CCOc1ccc(NC(=O)[C@@H](CC)Oc2ccccc2Cl)cc1 20456554 MADQZGCYDNISLK-MRXNPFEDSA-N 333.815 4.535 0 40 EJAB Fc1ccc(-c2noc(Cc3nc(-c4cccs4)cs3)n2)cc1 35592649 NLMSZTYOZKZAMX-UHFFFAOYSA-N 343.408 4.652 0 40 EJAB C[C@@H]1N(CCCCCC(=O)O)c2ccc3ccccc3c2C1(C)C 38490575 TULVHKHLIGTMSW-HNNXBMFYSA-N 325.452 4.971 0 40 EJAB Cc1cc(OCC(=O)N[C@@H](CC(C)C)c2ccccc2)ccc1Cl 38772592 BLAMBJDOIWWTRY-IBGZPJMESA-N 345.870 4.931 0 40 EJAB Cc1ccc(SCC(=O)N[C@H](c2ccc(C)cc2)C2CC2)cc1 40024474 DIMREFJYYXLDAO-HXUWFJFHSA-N 325.477 4.663 0 40 EJAB COc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1Cl 40114235 DZYBNTMIGANFCL-UHFFFAOYSA-N 330.598 4.908 0 40 EJAB Nc1ccc(Oc2ccc(N)cc2C(F)(F)F)c(C(F)(F)F)c1 72266225 NKYXYJFTTIPZDE-UHFFFAOYSA-N 336.235 4.681 0 40 EJAB C[C@H](N[C@H](C)c1c(F)cccc1F)c1cccc(N2CCCC2)c1 95964884 JCDNLUAWUKKVEU-LSDHHAIUSA-N 330.422 4.977 0 40 EJAB CSc1nc2ccc(NC(=O)C[C@@H]3C[C@H]4CC[C@H]3C4)cc2s1 102121417 PVAWQTSUNQVYPV-SRVKXCTJSA-N 332.494 4.783 0 40 EJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc(C)cc1 113956531 QKVNCRIFHILNSY-KDOFPFPSSA-N 331.843 4.683 0 40 EJAB Cc1ccc([C@@H](NC(=O)/C=C/c2ccccc2)c2ccccc2)cc1 216155472 UOVCMRLOAUGBEC-IOUNIBQOSA-N 327.427 4.914 0 40 EJAB O=C(NC1CC1)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 224958125 BBRKAYRFYXQKPH-UHFFFAOYSA-N 338.794 4.554 0 40 EJAB CC(C)(C)c1ccc(O[C@@H](Cc2ccccc2Cl)C(=O)O)cc1 225056079 NUCOUCULFTUZJR-KRWDZBQOSA-N 332.827 4.712 0 40 EJAB CCc1ccc([C@@H](C)NC(=O)CSCc2ccccc2C)cc1 225382701 FNVVZBIINZJCMJ-MRXNPFEDSA-N 327.493 4.668 0 40 EJAB CCCOC(=O)c1cc(N)ccc1Nc1cccc(C(F)(F)F)c1 225477038 ASADJGHDVZDVKQ-UHFFFAOYSA-N 338.329 4.598 0 40 EJAB COc1cccc(NC(=S)N[C@@H](c2ccccc2C)C(C)C)c1 225760067 NSGRTZNQLAYTOB-GOSISDBHSA-N 328.481 4.687 0 40 EJAB COc1cccc(NC(=O)N[C@H](C)CC(C)(C)c2ccccc2)c1 225763269 YHIJLLYMFCKKAU-OAHLLOKOSA-N 326.440 4.573 0 40 EJAB CCCCOc1ccc(NC(=O)[C@]2(OCCC)CCC[C@@H](C)C2)cn1 225910690 SPASZNDRDMZJKO-UZLBHIALSA-N 348.487 4.575 0 40 EJAB COc1ccc2cc(C(=O)Nc3ccc(C(C)C)cc3)c(C)nc2c1 408713426 YFZBYMYSIDSXST-UHFFFAOYSA-N 334.419 4.928 0 40 EJAB O=C(NCc1ccc(-c2ccco2)o1)NCc1cccc2ccccc12 575611047 TZFOZQPVTAAEFH-UHFFFAOYSA-N 346.386 4.692 0 40 EJAB O=C(NC[C@@H](c1ccsc1)c1ccco1)Nc1c(F)cccc1F 618256959 PAEUNDOLORCJIU-LBPRGKRZSA-N 348.374 4.573 0 40 EJAB CCOc1ccc(/C=C/C(=O)Nc2ccc(C)cc2C)cc1OCC 147394 FFWZFLCOPOLKMI-FMIVXFBMSA-N 339.435 4.753 0 40 EJAB CCN(CC)[C@@H]1CCC[C@@H](Nc2ccnc3cc(Cl)ccc23)C1 1733779 ZODDUWYUOSRZLF-HZPDHXFCSA-N 331.891 4.953 0 40 EJAB COc1ccc(NC(=O)CCCOc2ccc(C)cc2C)cc1Cl 1914139 TWGQBPVLFFNBQS-UHFFFAOYSA-N 347.842 4.763 0 40 EJAB Cc1cc(C(=O)OCc2ccc(F)cc2Cl)c2ccccc2n1 2635450 HSJCQZZSARRAOO-UHFFFAOYSA-N 329.758 4.693 0 40 EJAB CC(C)OCCCN1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc12 4691602 JPVHRDVMHFEBOL-OAQYLSRUSA-N 348.446 4.528 0 40 EJAB CCc1ccc(Nc2ncc3c(n2)C[C@H](c2ccccc2)CC3=O)cc1 4747445 CGICSRTXFXGLON-KRWDZBQOSA-N 343.430 4.695 0 40 EJAB CCN(c1ccc(NC(=O)c2cccc(OC(F)F)c2)cc1)C(C)C 5200393 VKPADTJOUVIOCA-UHFFFAOYSA-N 348.393 4.775 0 40 EJAB C[C@H](Sc1ccccn1)C(=O)Nc1ccccc1-c1ccccc1 5622360 YOUSSJCHCYPPJR-HNNXBMFYSA-N 334.444 4.868 0 40 EJAB COc1ccc(CSc2nnc(-c3ccc(C)c(C)c3)o2)cc1F 5779098 FGRIQVRJKAPGRW-UHFFFAOYSA-N 344.411 4.793 0 40 EJAB Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)cs2)cc1 5971958 ARKGNPIWLQVRQE-UHFFFAOYSA-N 340.473 4.849 0 40 EJAB CO[C@H]1CCC2(Oc3cccc4cccc(c34)O2)c2cccc(O)c21 6483287 VOUMQFKWNJSDCU-INIZCTEOSA-N 334.371 4.651 0 40 EJAB biogenic,in-vitro Cc1ccc(CNc2nc3c(Cl)c(C)nn3c3ccccc23)cc1 7736633 VRXUKKBRGDAVLJ-UHFFFAOYSA-N 336.826 4.765 0 40 EJAB Cc1cc(CSc2nc(Nc3ccccc3)c3ccccc3n2)no1 8704444 PMIOPMSCYPWJSL-UHFFFAOYSA-N 348.431 4.962 0 40 EJAB COc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)c1ccccc1OC 10157713 ZFZNCDCXRXOBAS-UHFFFAOYSA-N 337.419 4.546 0 40 EJAB Cc1c(Cl)cccc1NC(=O)Cc1cc(-c2ccc(F)cc2)on1 11693151 GJZSWLFESJAPRI-UHFFFAOYSA-N 344.773 4.624 0 40 EJAB O=C(NCCc1c[nH]c2ccccc12)c1sccc1-c1ccccc1 12568892 OIVZJAXTLSKRKC-UHFFFAOYSA-N 346.455 4.869 0 40 EJAB C/C=C\COc1cc2c(cc1[C@H](C)c1ccc(OC)cc1)OCO2 17140317 OAANJINSLHMPTL-ZRUQZJFASA-N 326.392 4.531 0 40 EJAB CC(=O)N1CN(CCC2=CCCCC2)Cc2c1sc1c2CCCC1 20192325 RLGAVDRBJMSWMC-UHFFFAOYSA-N 344.524 4.643 0 40 EJAB O=C(CCn1ccc2ccccc21)Nc1cccc(C(F)(F)F)c1 20894755 ZDDFKXSZZLJRSQ-UHFFFAOYSA-N 332.325 4.689 0 40 EJAB Cc1ccc(-c2cc(C(=O)Nc3cccc4cccnc34)no2)cc1C 32623229 KWGJEZAYQXQREN-UHFFFAOYSA-N 343.386 4.759 0 40 EJAB CCOc1ccccc1NC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1 40913193 LRAPXBJKBWDPFG-AWEZNQCLSA-N 347.842 4.762 0 40 EJAB Cc1ccc(-c2cc(C(=O)N(C3CC3)[C@@H](C)c3ccco3)on2)cc1 56186149 AJEWAKWMTYWJMM-AWEZNQCLSA-N 336.391 4.609 0 40 EJAB O=C(c1ccccc1Br)c1ccccc1OC(F)(F)F 95917415 MATFCMRQECNHRC-UHFFFAOYSA-N 345.114 4.579 0 40 EJAB COc1cc(C)c(S(=O)(=O)Nc2c(C)cccc2C(C)C)cc1C 96659372 KCSYREIHEXKZHB-UHFFFAOYSA-N 347.480 4.545 0 40 EJAB O=C(Nc1ccccc1)c1nnc(/C(Cl)=C\c2ccccc2)s1 96947704 SWUOZSGPIXSQDH-SDNWHVSQSA-N 341.823 4.527 0 40 EJAB CN(C(=O)c1cnc(-c2ccccc2Cl)s1)c1ccccc1F 102251120 MSJWGEHOEGNYJR-UHFFFAOYSA-N 346.814 4.879 0 40 EJAB Cc1ccc([C@H](C)NC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)cc1 105847085 GXYWJCBQHJHQKX-ZDUSSCGKSA-N 339.826 4.530 0 40 EJAB CCc1ccc(O[C@H](CC)C(=O)Nc2ccccc2SC)cc1 113969578 UXUZYLHCVSJKQZ-QGZVFWFLSA-N 329.465 4.767 0 40 EJAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)N[C@@H](C)c2ccc(C)c(C)c2)c1 219303118 FPOGYLKBHHKFJY-RBUKOAKNSA-N 339.479 4.873 0 40 EJAB O=C(NCCSCc1ccccc1)C1(c2ccccc2)CCCC1 224057531 FGEUHDFLDVSRSH-UHFFFAOYSA-N 339.504 4.548 0 40 EJAB CCCCOCc1cc(C(=O)Nc2ccccc2C)ccc1OCC 224725060 OCWGLHPLZDHBCK-UHFFFAOYSA-N 341.451 4.963 0 40 EJAB Cc1ccc(CCC(=O)Nc2ccccc2Br)cc1C 225026715 WFUZPSDFTUENBG-UHFFFAOYSA-N 332.241 4.637 0 40 EJAB CC(C)CC(=O)n1c2c(c3cc(Br)ccc31)CCCC2 227158047 AVHBQMLSOJGNOJ-UHFFFAOYSA-N 334.257 4.969 0 40 EJAB C[C@]1(NCc2ccc(Oc3cnccn3)cc2)CCCc2ccccc21 519202949 HQHOWGDHAFFKAS-QFIPXVFZSA-N 345.446 4.610 0 40 EJAB O=C(NCc1ccc(-c2ccsc2)o1)Nc1c(F)cccc1F 575609837 IADRPKARYDRHHU-UHFFFAOYSA-N 334.347 4.608 0 40 EJAB Cc1cccc(NC(=O)CCCC(=O)Nc2cccc(C)c2C)c1C 82175 JCUHJRGYQZVUSB-UHFFFAOYSA-N 338.451 4.668 0 40 EJAB COc1ccccc1-c1csc(NC(=O)c2ccccc2Cl)n1 1511255 NHGRWEQZKUOOTE-UHFFFAOYSA-N 344.823 4.724 0 40 EJAB O=C(N[C@H]1C[C@H](c2ccccc2)Oc2ccccc21)c1ccccc1 1702584 NHBLIZLZYDJDKC-PZJWPPBQSA-N 329.399 4.682 0 40 EJAB CCc1cccc(C)c1NC(=O)c1c2c(nc3ccccc13)CCC2 2634582 QPKAYBHWYJRJLH-UHFFFAOYSA-N 330.431 4.847 0 40 EJAB CCc1ccc(N(C(=O)c2ccccc2)C2=N[C@H](CC)CS2)cc1 3223754 UZKULHMEGQTYGX-QGZVFWFLSA-N 338.476 4.777 0 40 EJAB Cc1ccc(NC(=O)Cc2ccc(C)c(C)c2)c(Br)c1 3438003 ISWQGTAHUZNVKY-UHFFFAOYSA-N 332.241 4.556 0 40 EJAB COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccco2)cc1 4133107 SSDAMYPWBSRGJN-GHTZIAJQSA-N 346.386 4.531 0 40 EJAB Nc1cccc(-c2nc(-c3ccc(Br)cc3)cs2)c1 4245319 YJSZFJFVTYLCMW-UHFFFAOYSA-N 331.238 4.822 0 40 EJAB CC(C)c1ccccc1OCC(=O)Nc1cccc(Br)c1 5414212 MOGBKIGBEUQMNB-UHFFFAOYSA-N 348.240 4.590 0 40 EJAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)NC12CC3CC(CC(C3)C1)C2 5863586 WAOWDWDYYPCOGX-XUXNNNHQSA-N 349.927 4.906 0 40 EJAB Cc1nc(SC[C@@H]2CC2(Cl)Cl)c2c(C)c(C)sc2n1 7090065 SVOWENVICNOPES-VIFPVBQESA-N 333.309 4.902 0 40 EJAB COc1cc(C(=O)Nc2cc(Cl)ccc2C)cc(Cl)c1OC 8275225 CCXBTFLSARONNC-UHFFFAOYSA-N 340.206 4.571 0 40 EJAB COc1ccc(-c2cc(CSc3nc4ccccc4o3)on2)cc1 9054512 UQGABTVREDNTKX-UHFFFAOYSA-N 338.388 4.784 0 40 EJAB CC(=O)Nc1ccc(NC(=O)c2ccc(Oc3ccccc3)cc2)cc1 14242515 NJQYPLUHWJJAJY-UHFFFAOYSA-N 346.386 4.690 0 40 EJAB O=C(N[C@@H]1CCc2ccccc21)C1c2ccccc2Oc2ccccc21 16471684 GCGKSMVAEULQHJ-LJQANCHMSA-N 341.410 4.728 0 40 EJAB COc1cc(C=O)cc(Cl)c1OCc1ccc(F)cc1Cl 20376909 KIQAFZZCSGTBPW-UHFFFAOYSA-N 329.154 4.533 0 40 EJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@@H](C)c1ccc(C)cc1 20456717 DARSMMJTHFPYFR-HKUYNNGSSA-N 325.452 4.647 0 40 EJAB COc1ccc(S[C@H](C)C(=O)Nc2ccc(C)c(Cl)c2)cc1 25368039 JIZZYXPJUDTSJR-GFCCVEGCSA-N 335.856 4.776 0 40 EJAB CCOc1ccc([C@@H](C)NC(=O)CCSc2ccc(C)cc2)cc1 26049016 YFYAHBYAQPMLFA-MRXNPFEDSA-N 343.492 4.753 0 40 EJAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(C)c3ncccc23)c1C 31728173 VZMKLBBUMDYGIV-INIZCTEOSA-N 334.419 4.566 0 40 EJAB Cc1ccccc1OCCn1c(CCC(=O)O)ccc1-c1ccccc1 33459898 FZPDJWDVLJVBSY-UHFFFAOYSA-N 349.430 4.560 0 40 EJAB O=C(O)c1c2c(nc3ccccc13)/C(=C\c1ccc(F)cc1)CCC2 33888678 DFJBOLNIHJRSHP-OWBHPGMISA-N 333.362 4.949 0 40 EJAB C[C@@H](NC(=S)Nc1ccc2oc(C3CC3)nc2c1)c1ccccc1 44075208 CVPPOMKZMWOUJU-GFCCVEGCSA-N 337.448 4.753 0 40 EJAB O=C(Nc1nc2ccccc2s1)N1CCC(c2ccccc2)CC1 48300132 HNKDXHRTEUKRCL-UHFFFAOYSA-N 337.448 4.708 0 40 EJAB O=C(Nc1ccc(F)c(F)c1F)N1CCCC[C@H]1Cc1ccccc1 58315137 AQRVQMRYUOXALD-AWEZNQCLSA-N 348.368 4.733 0 40 EJAB CC[C@H](Oc1ccc(C)cc1)C(=O)N[C@H](CC)c1ccc(C)cc1 59351792 OXDRRZLGMHFVDE-UXHICEINSA-N 325.452 4.728 0 40 EJAB CCCCc1nc(Cl)c2n1Cc1ccc(Br)cc1C2 65734963 WRYSWTBLGKTJBJ-UHFFFAOYSA-N 339.664 4.594 0 40 EJAB in-vitro Cc1cccc(Cl)c1NC(=O)Cc1csc(-c2ccoc2)n1 85296787 PYSCETSOMSTFEE-UHFFFAOYSA-N 332.812 4.546 0 40 EJAB O=C(Nc1cc(C(F)(F)F)cc(Cl)n1)c1ccc(Cl)cc1 91695220 XBOGFUTWZMOUIV-UHFFFAOYSA-N 335.112 4.660 0 40 EJAB CCOc1cc(CO)c(Cl)cc1OCc1c(F)cccc1Cl 95095063 HCBWAJJYYMXVDW-UHFFFAOYSA-N 345.197 4.603 0 40 EJAB COc1cccc2cc([C@H](C)N[C@@H](C)c3cnn(C(C)C)c3)oc12 95419644 UZSGHLDVSSPDNI-KBPBESRZSA-N 327.428 4.631 0 40 EJAB C[C@@H](c1nc2ccccc2o1)N(C)Cc1ccccc1Br 95465873 RBALQSXJESIXIL-LBPRGKRZSA-N 345.240 4.783 0 40 EJAB Cc1sc(NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)nc1-c1ccccc1 103416655 WFJOOTIKKCMRAG-CWRNSKLLSA-N 326.465 4.883 0 40 EJAB CCCC(=O)c1cn(CC(=O)Nc2cccc(C)c2)c2ccccc12 107574908 GCCPLBYUAJFFKK-UHFFFAOYSA-N 334.419 4.571 0 40 EJAB CC(C)c1nccn1-c1ccc(NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)cc1 108421125 NZHRWYQZVFHTPQ-YESZJQIVSA-N 337.467 4.761 0 40 EJAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2c1c[nH]cn1 118926928 BBUJYEQSYYZBDG-UMWWKMARSA-N 340.511 4.817 0 40 EJAB CO[C@H](CNC(=O)c1cccc2ccccc12)c1ccccc1Cl 206849938 VINSKVHPIDCIOA-LJQANCHMSA-N 339.822 4.611 0 40 EJAB COc1cccc(CCCNC(=O)CCc2cccc3ccccc23)c1 222672108 QHZDSCWZCWKCIS-UHFFFAOYSA-N 347.458 4.530 0 40 EJAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)N[C@H](C)CCc1ccccc1 222961406 QBTDCXXFDRTRPB-UYAOXDASSA-N 339.479 4.598 0 40 EJAB Cc1c(Cl)cccc1N(C)S(=O)(=O)c1ccc2ccccc2c1 225055143 NRWZBVGUXUNBKM-UHFFFAOYSA-N 345.851 4.627 0 40 EJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(Cl)cc3)N21 260786450 XDIUTCKQOBTTTB-PVAVHDDUSA-N 343.883 4.714 0 40 EJAB CCCCc1ccc(N(C)C(=O)[C@@H]2CCc3cc(C)ccc3O2)cc1 1525023212 OQQHTSBBXWREAF-NRFANRHFSA-N 337.463 4.694 0 40 EJAB Cc1ccc2oc(C(=O)Nc3ccc(Oc4cnccn4)cc3)cc2c1 1533909901 FZTGSMQYDOCCEX-UHFFFAOYSA-N 345.358 4.576 0 40 EJAB O=C(Nc1ccccc1)Nc1scc2c1c(=O)oc1ccccc12 1036659 AYQIKVZPZNRPOC-UHFFFAOYSA-N 336.372 4.652 0 40 EJAB CC(C)(C)[C@H]1CCc2nc(NC(=O)c3ccc(F)cc3)sc2C1 1104263 PNOUDRBQZVKJBN-LBPRGKRZSA-N 332.444 4.686 0 40 EJAB Cc1cccc(C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)c1 1687885 BBZQNFMYIRYYHY-UHFFFAOYSA-N 330.383 4.702 0 40 EJAB CCC[C@@H](C)NCCOC(=O)[C@@H](c1ccccc1)C1CCCCC1 1710570 GQNBHAGYDQXAES-XLIONFOSSA-N 331.500 4.672 0 40 EJAB COc1cc2sc(C(=O)Nc3ccccc3)c(Cl)c2cc1OC 2125191 ACQLKVDUGDKZAV-UHFFFAOYSA-N 347.823 4.824 0 40 EJAB O=C(Nc1ccccc1CO)OCC1c2ccccc2-c2ccccc21 2541560 HTYQZDJJJCVONI-UHFFFAOYSA-N 345.398 4.540 0 40 EJAB COc1ccc(C(=O)CSc2nc3cc(Cl)ccc3s2)cc1 2805604 ZJUZROBSFCYBEO-UHFFFAOYSA-N 349.864 4.933 0 40 EJAB Cc1cc(NC(=O)c2cccc3ccccc23)ccc1N1CCCC1=O 5440053 SPPMISJMSBZYIE-UHFFFAOYSA-N 344.414 4.527 0 40 EJAB Cc1ccc(OCC(=O)N[C@H](C)c2ccccc2)c(C(C)(C)C)c1 5542105 BCLSRWBWZDROLT-MRXNPFEDSA-N 325.452 4.549 0 40 EJAB O=C(NCc1ccc(F)cc1)/C(=C/c1cccs1)c1ccccc1 5771957 FBRXCBYNYWUSJA-CPNJWEJPSA-N 337.419 4.744 0 40 EJAB O=C1c2ccccc2N[C@H](c2cccc(Cl)c2)N1Cc1ccco1 7112562 YXPGPNOELYKZEK-SFHVURJKSA-N 338.794 4.700 0 40 EJAB Cc1cc2oc(=O)cc(CN3CCSc4ccccc43)c2cc1C 7493239 TZFMCXUVANNFQF-UHFFFAOYSA-N 337.444 4.522 0 40 EJAB O=C(Nc1ccc2c(c1)nc1n2CCCCC1)c1ccc(Cl)cc1 7725393 HVJVTHOUTSSDSH-UHFFFAOYSA-N 339.826 4.668 0 40 EJAB CCSc1nnc(-c2ccc(OC)cc2)n1[C@H]1CCCC[C@@H]1C 7780507 FENCPVBIEMKQNK-BBRMVZONSA-N 331.485 4.817 0 40 EJAB COc1ccc(Cl)cc1NCc1cc(=O)oc2c(C)c(C)ccc12 8211920 ZLEFPBLSQIAOJY-UHFFFAOYSA-N 343.810 4.684 0 40 EJAB Cc1cc(C)c(C)c(S(=O)(=O)c2c(C)c(C)cc(C)c2C)c1C 8333693 AAURJRCIRLFUCJ-UHFFFAOYSA-N 330.493 4.987 0 40 EJAB O=C(CCC(=O)c1ccc(Cl)s1)N[C@H]1CCCc2ccccc21 8988221 DMWJAEBBQGDHPC-AWEZNQCLSA-N 347.867 4.558 0 40 EJAB C[C@@H]1Cc2ccccc2N1C(=O)CSCc1c(F)cccc1Cl 10449676 WXGXBOZTHGKVDK-GFCCVEGCSA-N 349.858 4.690 0 40 EJAB C[C@H](Nc1ncc(-c2ccco2)c(-c2ccco2)n1)c1ccccn1 12144359 VFAPDCJNDMHEOS-ZDUSSCGKSA-N 332.363 4.565 0 40 EJAB Cc1ccccc1NC(=O)c1cc(-c2ccccc2)nc2onc(C)c12 12227059 QRRAFXOTFOOTME-UHFFFAOYSA-N 343.386 4.759 0 40 EJAB O=C(NC1CC1)[C@@H](SCc1ccc(Cl)cc1)c1ccc(F)cc1 12260234 BTBSYDISSFJRMF-KRWDZBQOSA-N 349.858 4.732 0 40 EJAB C[C@@H](CCc1ccc(O)cc1)NC(=O)Nc1cccc2ccccc12 12800890 VHMCSTRKOCJNLK-HNNXBMFYSA-N 334.419 4.688 0 40 EJAB CC[C@@H](NC(=O)Cc1coc2cc(C)ccc12)c1ccc(OC)cc1 12806293 GUHJGFUAWDXFOB-LJQANCHMSA-N 337.419 4.560 0 40 EJAB O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc(Cl)nc1 14862013 SOXVHDWNPKVPSL-UHFFFAOYSA-N 348.793 4.531 0 40 EJAB Cc1ccc([C@H](C)NC(=O)CCCOc2ccc(Cl)cc2)c(C)c1 22511239 QEFOMYTWUSWVHS-INIZCTEOSA-N 345.870 4.993 0 40 EJAB C[C@@H](CCc1ccccc1)NC(=O)CCC(=O)c1ccc(Cl)s1 27460731 GMHQQNAYRJWTJR-ZDUSSCGKSA-N 349.883 4.502 0 40 EJAB O=C(c1ccccc1-c1ncc(-c2ccccc2)o1)N1CCCCC1 29484001 VSVILVAZXOEURE-UHFFFAOYSA-N 332.403 4.635 0 40 EJAB Cc1noc(C)c1COc1ccc(/C=C/C(=O)Nc2ccccc2)cc1 40073347 FOTIDDZNTXBRAR-JLHYYAGUSA-N 348.402 4.522 0 40 EJAB CCCOc1ccc(CNC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1 57416182 RKPWGXRRIUQMNZ-UHFFFAOYSA-N 342.826 4.540 0 40 EJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc(C)cc1C 59351658 ZKWNYJVVGSPDHV-BEFAXECRSA-N 345.870 4.992 0 40 EJAB CC(=O)Nc1c(-c2cc(=O)oc3c(C)c(C)ccc23)oc2ccccc12 101074584 QJLWCHRXYNFKJW-UHFFFAOYSA-N 347.370 4.781 0 40 EJAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)Cc1cccc(C(F)(F)F)c1)C2 103028932 FFEBWNABOOCVNZ-JOQOYGCGSA-N 339.401 4.579 0 40 EJAB C[C@@H]1[C@@H](NC(=O)/C=C/c2cccc(C(F)(F)F)c2)CCC[C@H]1C 107451550 NTERBJWYCRVGDG-FCQRTFQWSA-N 325.374 4.660 0 40 EJAB CCCCNC(=O)c1ccc(OC)c(CSc2ccccc2)c1 224320935 QFTCPIHUNJBDAU-UHFFFAOYSA-N 329.465 4.517 0 40 EJAB CC[C@@H](NC(=O)[C@H](C)Sc1ccccc1)c1ccc(OC)c(C)c1 224738677 BXVARSXUEKFXNH-MAUKXSAKSA-N 343.492 4.752 0 40 EJAB O=C(CCc1ccccc1F)Nc1ccccc1C(=O)c1ccccc1 225135728 FGHGZQXYHBKBIC-UHFFFAOYSA-N 347.389 4.628 0 40 EJAB Cc1ccc(S[C@@H](C)C(=O)NC(C)(C)Cc2ccccc2)cc1 225630230 JGOSAMPRMPIPQF-INIZCTEOSA-N 327.493 4.613 0 40 EJAB CCOC1(C(=O)Nc2ccc(OC3CCCC3)cc2)CCC(C)CC1 225719721 VFASHDGHZWVLCT-UHFFFAOYSA-N 345.483 4.932 0 40 EJAB C[C@H](CCc1ccccc1)NC(=O)CSCc1ccccc1Cl 408575730 PYYIVALUQWRJGY-OAHLLOKOSA-N 347.911 4.711 0 40 EJAB COc1ccccc1/C=C1\SC(=O)N(c2ccccc2Cl)C1=O 409061083 UXARFECEXASKBJ-GDNBJRDFSA-N 345.807 4.590 0 40 EJAB O=C(Nc1ccc(Oc2cccc(Cl)c2)cc1)[C@H]1C[C@H]2CC[C@H]1O2 504233309 WFPMVNUEJRCEPF-FGTMMUONSA-N 343.810 4.638 0 40 EJAB Cc1ccccc1N(C(=O)Nc1ccccc1)C1=NCC(C)(C)S1 162112 DWLUZDHQRQIICC-UHFFFAOYSA-N 339.464 4.915 0 40 EJAB O=C(c1cccnc1Cl)N(Cc1ccccc1)Cc1ccccc1 213863 JXARSXXVYNGRNX-UHFFFAOYSA-N 336.822 4.578 0 40 EJAB COc1ccc(CCCC(=O)Nc2cc(Cl)ccc2C)cc1C 237614 YLWYTETUQQZDGS-UHFFFAOYSA-N 331.843 4.927 0 40 EJAB COc1ccc(-c2csc(NC(=O)c3ccc(C)c(C)c3)n2)cc1 567861 FJKSLPNWOHXSOR-UHFFFAOYSA-N 338.432 4.688 0 40 EJAB CN(C)c1ccc(Nc2c(-c3cccs3)nc3ccccn23)cc1 1414415 LGOGPLFRZIRXQS-UHFFFAOYSA-N 334.448 4.872 0 40 EJAB CCC(=O)N(CC[C@@H](C(C)C)[C@H]1CCOC(C)(C)C1)Cc1ccco1 2106205 LSPWQLQHZZKYDW-HKUYNNGSSA-N 349.515 4.886 0 40 EJAB biogenic COc1ccc(C(C)(C)C)cc1NC(=O)Cc1ccc(Cl)cc1 2623233 LLPYIAYEUZPZLI-UHFFFAOYSA-N 331.843 4.827 0 40 EJAB Cc1ccc(OC(=O)c2ccc(C(=O)c3ccccc3)cc2)cc1C 3009618 DMZPFIQYZQQHQQ-UHFFFAOYSA-N 330.383 4.754 0 40 EJAB Cc1ccc(/C=C2/N=C(c3ccc(C(C)(C)C)cc3)OC2=O)s1 3321529 RZIWCIKYWZQIAW-LFIBNONCSA-N 325.433 4.699 0 40 EJAB COc1ccc(-c2cn3cc(C(F)(F)F)cc(Cl)c3n2)cc1 4002657 MAXAHMDQWGZENU-UHFFFAOYSA-N 326.705 4.682 0 40 EJAB O=C(Nc1c2c(nc3ccccc13)CCC2)C12CC3CC(CC(C3)C1)C2 4321171 YWLGGWINNWZEGA-UHFFFAOYSA-N 346.474 4.878 0 40 EJAB O=C(COc1cccc2cccnc12)Nc1cc(Cl)ccc1Cl 6127931 PWJWUTJXYKNDDT-UHFFFAOYSA-N 347.201 4.559 0 40 EJAB CN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1cc2ccccc2o1 7794103 LDKZIVNDRFQLHZ-UHFFFAOYSA-N 348.324 4.770 0 40 EJAB Cc1ccc(NC(=S)NCCSc2ccccc2)cc1Cl 7926081 IJNOVTLJLBIYTK-UHFFFAOYSA-N 336.913 4.727 0 40 EJAB CC(C)c1ccccc1NC(=O)c1ccc(F)cc1Br 9364401 IIQVLSHHPDQWQS-UHFFFAOYSA-N 336.204 4.964 0 40 EJAB O=C(O)c1cccc2nc(-c3ccccc3)c(-c3ccccc3)nc12 12356949 HGAMBOCHRTYBBO-UHFFFAOYSA-N 326.355 4.662 0 40 EJAB Cc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1 12938613 LYKCRXVDEZSALZ-MRXNPFEDSA-N 336.460 4.625 0 40 EJAB Cc1cccc(CSCCNC(=O)Nc2ccc(Cl)cc2)c1 14154000 YVGHHUMYTUMTBJ-UHFFFAOYSA-N 334.872 4.703 0 40 EJAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)Cc1cccs1 14582966 XJKUIYJVNVEVLM-UHFFFAOYSA-N 343.370 4.737 0 40 EJAB COc1ccc(S[C@@H](C)C(=O)Nc2ccc(C)c(Cl)c2)cc1 25368035 JIZZYXPJUDTSJR-LBPRGKRZSA-N 335.856 4.776 0 40 EJAB O=C(/C=C/c1ccco1)Nc1ccc(SCc2cccnc2)cc1 27120626 SEPIOEMYOOHVQD-JXMROGBWSA-N 336.416 4.619 0 40 EJAB Cc1cc(Br)c2oc(-c3ccc(Cl)c(N)c3)nc2c1 40542275 ZHPMOXMBTQFQHX-UHFFFAOYSA-N 337.604 4.801 0 40 EJAB Cc1ccccc1NC(=O)c1cc(-c2ccc(OC(C)C)cc2)on1 61997140 SUUCIRWYALBOHD-UHFFFAOYSA-N 336.391 4.690 0 40 EJAB CC(C)N(c1ccc([C@@H]2CCCN2C(=O)OC(C)(C)C)cn1)C(C)C 72212953 XFUAJYCGDQCXOP-KRWDZBQOSA-N 347.503 4.777 0 40 EJAB CCN1CCC[C@H]1c1ccc(N(CC(C)C)C(=O)OC(C)(C)C)nc1 72214550 IUZIZWWQZXXVEM-KRWDZBQOSA-N 347.503 4.636 0 40 EJAB COc1cc(CN(C)[C@H]2CCc3c(F)cccc32)ccc1SC 72309400 WNFHMGXMCNUTRP-KRWDZBQOSA-N 331.456 4.676 0 40 EJAB CCN(C(=O)c1cccc(-n2cccc2)c1)[C@@H](C)c1ccc(F)cc1 84760686 KHQABQISFAXEJO-INIZCTEOSA-N 336.410 4.840 0 40 EJAB Clc1ccc(Br)c(CNc2cccc3[nH]ncc23)c1 90250971 JLWBJOQFPQIMQB-UHFFFAOYSA-N 336.620 4.591 0 40 EJAB Fc1ccc(-c2nc(-c3nc4cc(F)c(F)cc4[nH]3)cs2)cc1 95352967 RMMQJFMSXLQFEK-UHFFFAOYSA-N 331.322 4.771 0 40 EJAB COc1ccccc1Nc1nc(-c2ccc3nsnc3c2)cs1 96124472 KFFWRBUHGSXDOC-UHFFFAOYSA-N 340.433 4.567 0 40 EJAB Cc1c(-c2nnc3sc(C4CCCCC4)nn23)oc2ccccc12 96194438 QCQKBZHBOQKLJY-UHFFFAOYSA-N 338.436 4.955 0 40 EJAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](C1)C(=O)C[C@H]1[C@@H]3CCC[C@@]3(C)CC[C@@H]12 118934503 KDFBVYUYNLYXGM-LNAKBZROSA-N 332.484 4.530 0 40 EJAB CC[C@@H](NC(=O)[C@@H](C)Oc1cc(C)ccc1C)c1ccc(C)c(C)c1 219073682 HROMRLLVVNNENC-UYAOXDASSA-N 339.479 4.955 0 40 EJAB CCc1ccc(CC)c(CNC(=O)CCSc2ccccc2)c1 224930299 DXSYFFBYKNXTQG-UHFFFAOYSA-N 327.493 4.610 0 40 EJAB COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1F 225389276 LTQXRTOWCRODQY-UHFFFAOYSA-N 347.695 4.759 0 40 EJAB O=C(Nc1ccc(-c2ccc(C(=O)O)o2)c(Cl)c1)c1ccccc1 226356383 QYDFSYPACQZXNO-UHFFFAOYSA-N 341.750 4.551 0 40 EJAB CC1(C)CCCC[C@@H]1NCc1csc(-c2ccc(C(=O)O)cc2)n1 565101215 BQNRABHNWASSOP-INIZCTEOSA-N 344.480 4.567 0 40 EJAB C[C@H]1CC(=O)N(C)c2ccc(NCc3ccc(F)c(Cl)c3)cc21 623791593 PKMZAVQCQRVLQE-NSHDSACASA-N 332.806 4.561 0 40 EJAB O=c1[nH]c(-c2ccccc2)nc2scc(-c3ccc(Cl)cc3)c12 387990 XDRAPNWRMZROSO-UHFFFAOYSA-N 338.819 4.972 0 40 EJAB CCc1cc2ccc(C)cc2nc1SCC(=O)N1CCCC[C@@H]1C 413585 IFQFTBPTCFBGCF-HNNXBMFYSA-N 342.508 4.599 0 40 EJAB Cc1cc2nc(SCC(=O)Nc3ccccc3Cl)[nH]c2cc1C 794807 OQDOZAADIWLBOV-UHFFFAOYSA-N 345.855 4.564 0 40 EJAB O=C1CCc2cc3c(cc21)CC1(Cc2cc4c(cc2C1)CCCC4)C3 1645340 AOXGNWRYOVOECO-UHFFFAOYSA-N 328.455 4.578 0 40 EJAB CC1(C)COC(CCCCC(=O)c2ccc3ccccc3c2)OC1 2518132 HVIKLJARIQCPMV-UHFFFAOYSA-N 326.436 4.982 0 40 EJAB Cc1ccc(CSc2nnc(NCc3ccccc3)s2)cc1 2650056 MAOODUXQMHMPGP-UHFFFAOYSA-N 327.478 4.751 0 40 EJAB Cc1cccc(Nc2nnc(SC[C@H]3CCCCO3)s2)c1C 3463237 LWHZXHXWPGGLJN-CYBMUJFWSA-N 335.498 4.560 0 40 EJAB Cc1cccc2sc(NC(=O)CCSc3ccc(F)cc3)nc12 4496814 CYNFHSTVSGDBED-UHFFFAOYSA-N 346.452 4.865 0 40 EJAB CCSc1ccccc1C(=O)Nc1nc2ccc(F)cc2s1 4585697 LOWRMHKQMYFZOY-UHFFFAOYSA-N 332.425 4.800 0 40 EJAB O=C(Nc1cnc2ccccc2c1)c1ncoc1-c1ccccc1Cl 4932773 XEFUPWNKFKJWBA-UHFFFAOYSA-N 349.777 4.796 0 40 EJAB O=C1OC(c2cccc(F)c2)=N/C1=C/c1ccc(-c2ccccc2)cc1 6890286 FSVQEBMSFJYWBW-DEDYPNTBSA-N 343.357 4.837 0 40 EJAB CCOc1cccc2c1N[C@H](c1ccccc1C(=O)O)[C@H]1CC=C[C@H]21 6935695 CMDPIPYTXDWRQR-NJSLBKSFSA-N 335.403 4.610 0 40 EJAB Cc1oc2cc(OC(=O)C3CCCC3)ccc2c(=O)c1-c1ccccc1 7650822 BDDTZDYQVXJPTH-UHFFFAOYSA-N 348.398 4.864 0 40 EJAB C[C@@H](NC(=O)NC12CC3CC(CC(C3)C1)C2)c1cccc(Cl)c1 8855806 YNMPOWQHKFZPHB-XUXNNNHQSA-N 332.875 4.669 0 40 EJAB Cc1ccc(NC(=O)c2ccc(OC(F)(F)F)cc2)c(Cl)c1 8985501 UWHFXJBFZWLQHQ-UHFFFAOYSA-N 329.705 4.799 0 40 EJAB Cc1ccc(NCc2cc3ccc(C)c(C)c3[nH]c2=O)cc1Cl 12492955 DEAHODGGOMBEGH-UHFFFAOYSA-N 326.827 4.719 0 40 EJAB O=C(/C=C/c1ccc(F)cc1)N(Cc1ccccc1)Cc1ccco1 12809288 IRZPVEJTVVSBRW-JLHYYAGUSA-N 335.378 4.661 0 40 EJAB O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1cccnc1Cl 14257887 GEAFCTMCGAJXJV-UHFFFAOYSA-N 348.793 4.531 0 40 EJAB CCOc1c(Cl)cc(C(=O)Nc2c(C)cccc2CC)cc1OC 14427818 BSBXVPMIBSMYPD-UHFFFAOYSA-N 347.842 4.870 0 40 EJAB CCOC(=O)c1oc2c(C)cccc2c1CNc1ccccc1OC 15017649 WQXBUEGTUQZZBZ-UHFFFAOYSA-N 339.391 4.539 0 40 EJAB O=C(CCc1ccc(F)cc1)Nc1nc(-c2ccccc2)cs1 18114053 PGOSDJNKOBJINF-UHFFFAOYSA-N 326.396 4.521 0 40 EJAB c1ccc(OCCOc2cccc(CNC3CCCCC3)c2)cc1 19737924 JSBVGRXAPMZFKJ-UHFFFAOYSA-N 325.452 4.567 0 40 EJAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc2ccccc2c1 20450777 ODJCRYIUCLZJDX-FQEVSTJZSA-N 335.403 4.645 0 40 EJAB O=C(Nc1cccc(F)c1)c1cccnc1Nc1cccc(Cl)c1 22072215 HURWYHRBETVMET-UHFFFAOYSA-N 341.773 4.870 0 40 EJAB CC(C)(C)c1ccc(O)c(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)c1 29769629 ASCKWMPNEOVZJB-HOTGVXAUSA-N 327.399 4.571 0 40 EJAB CSc1ccccc1NC(=O)CCN1CCC[C@H]1c1ccsc1 48265092 BBZBWIFLVTWNSB-INIZCTEOSA-N 346.521 4.636 0 40 EJAB CC(=O)N1CN([C@@H](C)c2ccccc2)Cc2c1sc1c2CCCC1 54596800 XBIMRZOZTSGQCP-AWEZNQCLSA-N 340.492 4.514 0 40 EJAB OC1=Nc2ccsc2[C@H](c2cccc(Br)c2)SC1 71279867 QIUZPPNXJXEOIU-LBPRGKRZSA-N 340.267 4.935 0 40 EJAB Cc1c(F)cccc1NC(=S)Nc1ccc(C(F)(F)F)cc1 71326027 LRPSFMAGHLAGRG-UHFFFAOYSA-N 328.334 4.962 0 40 EJAB CCCCSc1nnc(COc2ccc(Cl)cc2Cl)o1 72756487 BBHSHDIOZHJNHO-UHFFFAOYSA-N 333.240 4.848 0 40 EJAB C[C@@H]1CCCCN1C(=O)c1ccc2ccc(N(C)c3ccccc3)n2c1 96146189 IRAVUYKRRFKHEC-QGZVFWFLSA-N 347.462 4.722 0 40 EJAB Cc1cc(C)cc(O[C@H](C)C(=O)NCc2ccc3ccccc3c2)c1 222801348 YMLFOGWQCWBMCT-QGZVFWFLSA-N 333.431 4.540 0 40 EJAB CC[C@H](Oc1cccc(C)c1)C(=O)N[C@H](C)c1cc(C)c(C)cc1C 223465111 XPRNWGDHWDRWHV-NQIIRXRSSA-N 339.479 4.955 0 40 EJAB Cc1cccc(CSCCNC(=S)Nc2cc(C)cc(C)c2)c1 225336240 GJNRQVPTQZTYTO-UHFFFAOYSA-N 344.549 4.832 0 40 EJAB COc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)cc1 225544107 PPYNTSVXKFQZBA-UHFFFAOYSA-N 327.399 4.675 0 40 EJAB Cc1ccc2c(c1)[C@H](NC(=O)c1ccc3c(c1)CCCC3)CC(C)(C)O2 225633009 CFQKVOZLMUYNLY-HXUWFJFHSA-N 349.474 4.906 0 40 EJAB CCc1cccc(C)c1NC(=O)c1cc2cc(Cl)ccc2oc1=O 226041305 LQFDAAKYFFERPP-UHFFFAOYSA-N 341.794 4.570 0 40 EJAB CSc1ccccc1C(=O)NC[C@@H](c1ccco1)c1cccs1 585146670 AXMYXSLQGDDAIB-AWEZNQCLSA-N 343.473 4.625 0 40 EJAB C[C]1CCC[C@H](C)N1CCC[C@@](O)(c1ccccc1)c1ccccn1 1560403854 WCYPEEJGLGCDFA-PGRDOPGGSA-N 337.487 4.524 0 40 EJAB Cc1ccc2c(c1)[C@@H](OC1CCN(C)CC1)c1ccccc1CS2 347744 NJIORWAXOOZLBW-NRFANRHFSA-N 339.504 4.801 0 40 EJAB Cc1cc(C)c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c(C)c1 361863 FFIUKRRUBSQJBQ-UHFFFAOYSA-N 331.481 4.710 0 40 EJAB Cc1cc(O[C@@H]2CCCCC2=O)c2c(-c3ccccc3)cc(=O)oc2c1 407879 DBFWYIJIFCCVBI-GOSISDBHSA-N 348.398 4.659 0 40 EJAB CSc1ncccc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 516074 NOVNJMIKDXFKCV-UHFFFAOYSA-N 346.761 4.728 0 40 EJAB Cc1ccc(-c2nc3ccccc3c(=O)n2-c2cccc(C)c2)cc1 520128 UGGDASDSTIZJBT-UHFFFAOYSA-N 326.399 4.670 0 40 EJAB O=C(Nc1cccc(Cl)c1)Nc1nnc(-c2ccc(F)cc2)s1 546515 HKGSFYMDXCNVOF-UHFFFAOYSA-N 348.790 4.642 0 40 EJAB CC(=O)c1ccc(OCC(=O)Nc2ccccc2-c2ccccc2)cc1 3264043 WVVBHZXEONWIQF-UHFFFAOYSA-N 345.398 4.574 0 40 EJAB Cc1cccc(C)c1NC(=O)CCCOC(=O)c1ccc(Cl)cc1 3319805 KIJQXOXBIXJNRQ-UHFFFAOYSA-N 345.826 4.533 0 40 EJAB Cc1cc(C)c(NC(=O)c2cccc(OC(F)F)c2)c(Cl)c1 3556486 DJTNJXQNCGXRCU-UHFFFAOYSA-N 325.742 4.811 0 40 EJAB CN(CC(=O)Nc1ccccc1Cl)Cc1ccc(C(C)(C)C)cc1 3584402 JNFIAGKAVVMAQW-UHFFFAOYSA-N 344.886 4.708 0 40 EJAB Cc1ccc(Cl)c2sc(NC(=O)CCc3ccccc3)nc12 4325381 RGXXWIMAUOCGQO-UHFFFAOYSA-N 330.840 4.829 0 40 EJAB Cc1nnc(CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)o1 4516573 FTGDHXVSPJFJNI-UHFFFAOYSA-N 349.415 4.992 0 40 EJAB CCN(CC)C(=O)Sc1ccc(SC(=O)N(CC)CC)cc1 5064806 GNEDWODYJROSKG-UHFFFAOYSA-N 340.514 4.794 0 40 EJAB S=C(Nc1ccc(Cl)cc1)SCc1nc2ccccc2[nH]1 5387664 CWRDCYOPWDCEIT-UHFFFAOYSA-N 333.869 4.847 0 40 EJAB COc1ccccc1OC(=O)c1ccc(COc2ccc(C)cc2)cc1 6479774 BJULHJZUDDWYSG-UHFFFAOYSA-N 348.398 4.802 0 40 EJAB CCc1cc(-c2n[nH]c(C)c2Oc2ccc(Cl)cc2)c(O)cc1O 7735922 FYUWAPKNNHTLOB-UHFFFAOYSA-N 344.798 4.804 0 40 EJAB c1ccc2sc([C@@H]3CCCN3c3ncnc4sccc34)nc2c1 8063178 WZFHHHDBXCNMCS-ZDUSSCGKSA-N 338.461 4.643 0 40 EJAB Cc1cc(C(=O)CSc2cccc(C(F)(F)F)c2)c(C)n1C 8073604 MEXQEHNPFWUWAT-UHFFFAOYSA-N 327.371 4.636 0 40 EJAB C[C@H](NC(=O)Cc1c[nH]c2ccccc12)c1ccc2ccccc2c1 8748571 FRSOXGNHNDLXOI-HNNXBMFYSA-N 328.415 4.741 0 40 EJAB CC(C)[C@@H]1C[C@](CCNCc2ccco2)(Cc2ccccc2)CCO1 9047506 FTYLBMAHZDXPAM-VXKWHMMOSA-N 341.495 4.823 0 40 EJAB Cc1ccoc1C(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 10697162 FWDXGGKFYRYPKB-SFHVURJKSA-N 344.414 4.631 0 40 EJAB CCCC(=O)Nc1cc(C)c(O)c(-c2nc3cc(C)c(C)cc3o2)c1 12651611 RIEPKFPOXUGPDP-UHFFFAOYSA-N 338.407 4.864 0 40 EJAB C[C@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)c1nc2ccccc2[nH]1 12681348 RMCXOBDDGIQNJY-VIFPVBQESA-N 349.221 4.752 0 40 EJAB COc1ccc(CNCc2cc3c(C)cc(C)cc3nc2Cl)cc1 13535366 MTTVCSBVOSWCKV-UHFFFAOYSA-N 340.854 4.803 0 40 EJAB COc1cccc(CN(C)C(=O)Nc2ccc(Cl)c(Cl)c2)c1 14185425 ONEJTAJXGWIYIC-UHFFFAOYSA-N 339.222 4.666 0 40 EJAB Cc1cc(CSc2ccccc2C(=O)NC2CCCCCC2)on1 15191451 JZRCELUOHUOQIC-UHFFFAOYSA-N 344.480 4.728 0 40 EJAB COc1ccc(Cl)cc1NC(=O)CCc1nc2ccccc2s1 15419460 PZWGQVAUSBVYGS-UHFFFAOYSA-N 346.839 4.530 0 40 EJAB Cc1cc(OCC(C)C)ccc1-c1nn(-c2ccccc2)cc1C=O 16752260 TZMOGOHIVBBCNH-UHFFFAOYSA-N 334.419 4.695 0 40 EJAB CCc1ccc(Nc2nn(-c3ccc(F)cc3)c3c2C(=O)CCC3)cc1 20672140 HGIQJCVIGXWYFZ-UHFFFAOYSA-N 349.409 4.836 0 40 EJAB C[C@H](c1nc2ccccc2n1C(F)F)N1CCCc2ccccc21 23016429 YSXAKLKOBCZSHX-CYBMUJFWSA-N 327.378 4.945 0 40 EJAB COc1ccccc1[C@@H](C)N(C)C(=S)Nc1ccc(C)c(F)c1 32809278 MKLSOQFGRJUGOT-CYBMUJFWSA-N 332.444 4.533 0 40 EJAB Cc1nc(CCNc2nc(-c3ccccc3)nc3ccccc23)cs1 32905469 ZINPBWGNGJHREW-UHFFFAOYSA-N 346.459 4.716 0 40 EJAB Fc1ccc(CSc2nc3c(c(C(F)(F)F)n2)CCCC3)cc1 33606042 QOHNXZZIZQAACJ-UHFFFAOYSA-N 342.361 4.806 0 40 EJAB Cc1ccc([C@H](NC(=O)COc2ccccc2C)c2ccccc2)cc1 38755728 IGSCCEORCKEATH-HSZRJFAPSA-N 345.442 4.588 0 40 EJAB CC(=O)c1sc(N2N=C3CCCC[C@@H]3[C@H]2c2ccccc2)nc1C 51330445 DXUVNKYHCBBCPO-DOTOQJQBSA-N 339.464 4.762 0 40 EJAB CCN(C)c1ccc(C(=O)Nc2ccc(-c3nc(C)c(C)o3)cc2)cc1 66921388 WEYSRZMQXOMJPI-UHFFFAOYSA-N 349.434 4.667 0 40 EJAB c1ccc(-c2ccc(-c3nc4ccc(-n5cnnc5)cc4o3)cc2)cc1 70461301 RYGPKYSHROMPQD-UHFFFAOYSA-N 338.370 4.743 0 40 EJAB C[C@@H](N[C@H]1CCCc2ccccc21)c1ccc(C(F)(F)F)nc1O 95427039 HZOYGJNXOKTADW-ABAIWWIYSA-N 336.357 4.534 0 40 EJAB CCOC(=O)c1nc(Nc2ccc(Cl)c(Cl)c2)sc1C 161591312 OEKNGSXPUZRIGY-UHFFFAOYSA-N 331.224 4.679 0 40 EJAB O=C(Nc1ccccc1Cl)c1cnc(-c2ccc(Cl)cc2)nc1 222603165 WXNNWNBSHJDOLO-UHFFFAOYSA-N 344.201 4.703 0 40 EJAB COc1ccc([C@@H](CC(C)C)NC(=O)Cc2ccc(C)cc2C)cc1 223406830 IEZBMUKOAOETIQ-OAQYLSRUSA-N 339.479 4.758 0 40 EJAB CCc1ccc(CCC(=O)NCCOc2ccccc2C(C)C)cc1 223794190 NIGBAHNNSYKSSF-UHFFFAOYSA-N 339.479 4.500 0 40 EJAB CCOc1ccc(C(=O)N[C@@H](C)CC)cc1COc1ccc(C)cc1 224463712 VHVCVFBRJRJSAO-INIZCTEOSA-N 341.451 4.501 0 40 EJAB Cc1cccc(CSCCNC(=S)Nc2cccc(C)c2)c1 225336039 ZOFKFIGUYYWZQI-UHFFFAOYSA-N 330.522 4.523 0 40 EJAB C[C@@H]1Cc2ccccc2N1C(=O)CCc1c(Cl)cccc1Cl 225354462 RDWPZNXFXMIGJS-GFCCVEGCSA-N 334.246 4.904 0 40 EJAB S=C(NCCSC1CCCCC1)Nc1cccc(Cl)c1 225356446 VEPAKSROZMDDJT-UHFFFAOYSA-N 328.934 4.692 0 40 EJAB Cc1cc(NC(=O)C(Cl)(Cl)Cl)ccc1OC1CCCC1 225591088 KHQBUFXYOITWOF-UHFFFAOYSA-N 336.646 4.625 0 40 EJAB Cc1ccc(NC(=S)N[C@@H](c2ccc(C)cc2C)C(C)C)nc1 225766377 YXRYCSLYUBOULM-GOSISDBHSA-N 327.497 4.691 0 40 EJAB Cc1ccc(-c2ccc(OC(=O)c3cccc4ccccc34)nn2)cc1 408527458 FOBQJSLESIUODH-UHFFFAOYSA-N 340.382 4.824 0 40 EJAB CCCOc1ccc(/C=C/C(=O)Nc2ccc(C)cc2)cc1OCC 408569189 ZJRJOFPAFHCAGL-UKTHLTGXSA-N 339.435 4.834 0 40 EJAB Cc1noc(C)c1CSc1ncnc2sc3c(c12)CC[C@H](C)C3 102333 PYLAXHMXXXYXEA-VIFPVBQESA-N 345.493 4.713 0 40 EJAB CCc1nc2sc3c(N(CC)CC)ncnc3c2c2c1CCCC2 203344 AKBQTMIXYLPCEP-UHFFFAOYSA-N 340.496 4.527 0 40 EJAB COc1ccc2nc(C)cc(Nc3ccc(OC)c(Cl)c3)c2c1 303353 LPJBDURFGOPNNW-UHFFFAOYSA-N 328.799 4.957 0 40 EJAB O=S1(=O)CC[C@H](SCc2ccc(Cl)cc2)c2ccsc21 1398529 LEQAXNTTYOGPGY-ZDUSSCGKSA-N 344.910 4.553 0 40 EJAB CC1(C)C(=O)CC[C@@]2(C)C1=CC[C@H]1[C@@H]3CC[C@@](C)(O)[C@@]3(C)CC[C@@H]12 1706979 WSGNVOUHNLZNHQ-XMOSRXQISA-N 330.512 4.905 0 40 EJAB biogenic C[C@@H](C=O)[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2042904 XVPJEGGIGJLDQK-YBQWHCOOSA-N 328.496 4.970 0 40 EJAB Cc1sc2nc([C@@H](C)Sc3ccccc3F)[nH]c(=O)c2c1C 3334910 RGLITQLRERKDRO-SNVBAGLBSA-N 334.441 4.594 0 40 EJAB CC(=O)C(=Cc1ccccc1)C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 4266891 FDAUAWCWYPKAFJ-XFQXTVEOSA-N 328.452 4.663 0 40 EJAB biogenic COc1ccc2c(c1)SC[C@@]1(C)C2=CC[C@@]2(C)C(=O)CC[C@]21C 4666766 QQHXASQOUYMTQW-SLFFLAALSA-N 328.477 4.970 0 40 EJAB c1ccc2cc(-c3cc(N4CCOCC4)c4ccccc4n3)ccc2c1 5521541 LGCPCOWCBCIEOX-UHFFFAOYSA-N 340.426 4.892 0 40 EJAB COc1ccc(C(C)(C)C)cc1NC(=O)CSc1ccccc1F 6786948 IUAYQGZJNAUZIW-UHFFFAOYSA-N 347.455 4.863 0 40 EJAB CCOc1cc(C(=O)Nc2ccccc2Cl)cc(Cl)c1OC 6892272 ODRAYRKSQVMNCS-UHFFFAOYSA-N 340.206 4.653 0 40 EJAB CCOc1cc(/C=C/C(=O)Nc2cc(Cl)ccc2C)ccc1OC 7406750 PRQYMSZWGXCHPA-JXMROGBWSA-N 345.826 4.708 0 40 EJAB Cc1ccc(NC(=O)Cc2csc(-c3ccsc3)n2)c(C)c1 8007300 MOBSGJOJRDWBNX-UHFFFAOYSA-N 328.462 4.670 0 40 EJAB Cc1ccc(NC(=O)CCc2ncc(-c3ccc(F)cc3)o2)cc1C 8707573 ITAGMWGVBGRHHT-UHFFFAOYSA-N 338.382 4.669 0 40 EJAB CCC(CC)C(=O)Nc1nc(-c2ccco2)c(-c2ccncc2)s1 12233039 FJTRCUGYQFPHCO-UHFFFAOYSA-N 341.436 4.840 0 40 EJAB Cc1ccc(C)c(NC(=O)[C@H](C)N(C)Cc2ccc3ccccc3c2)c1 12806666 LOCSQFVTNWLUJX-SFHVURJKSA-N 346.474 4.916 0 40 EJAB CC(C)(C)C(=O)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1 14258478 JBJHAJITXIDOCP-UHFFFAOYSA-N 330.815 4.577 0 40 EJAB Cc1cccc(NC(=O)C2[C@H]3CC[C@H]4[C@@H](CC[C@H]23)C4(Cl)Cl)c1 18086995 ILZRVBWTTJKFOR-WDFJATGCSA-N 338.278 4.790 0 40 EJAB C[C@@H](NC(=O)c1cccc(OCc2ccccc2)c1)c1ccc(F)cc1 19932993 ZOMUFQFPULWOBE-MRXNPFEDSA-N 349.405 4.896 0 40 EJAB Cc1ccc(C(=O)Nc2cccc(-c3ccc(CO)o3)c2)cc1Cl 20139359 RWUPXHAQXKGWIZ-UHFFFAOYSA-N 341.794 4.653 0 40 EJAB COc1ccc(Cl)cc1C(=O)N[C@@H](C)c1ccc(SC)cc1 22250540 LRCRWFMHGZBFJD-NSHDSACASA-N 335.856 4.562 0 40 EJAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(F)c(Cl)c1 22533248 GKZYTUSBKTVQIA-AWEZNQCLSA-N 342.197 4.929 0 40 EJAB O=C(c1cc(F)cc(F)c1)N1CCCc2cc(C(F)(F)F)ccc21 24468533 RQHVGYBWPXFHPD-UHFFFAOYSA-N 341.279 4.577 0 40 EJAB CCc1sc(C(=O)Nc2cccc(-c3ccnc(C)n3)c2)cc1C 32817480 ANBQOXYPNCFQAA-UHFFFAOYSA-N 337.448 4.637 0 40 EJAB Cc1ccc(-c2csc(NC(=O)CSC(F)(F)F)n2)cc1C 58061267 MWYIGELOBPOPFQ-UHFFFAOYSA-N 346.399 4.618 0 40 EJAB Cc1ccccc1-n1cnnc1S[C@@H](C)c1ccc(F)cc1F 59926750 SACGOCDHAIMDKP-LBPRGKRZSA-N 331.391 4.707 0 40 EJAB Cc1cccc(-c2cccc([C@@H]3CCCN(C(=O)C4CCCC4)C3)n2)c1 72349616 VYRPKKBRTODLFO-HXUWFJFHSA-N 348.490 4.953 0 40 EJAB CCCCc1nc(CNC2(c3nc(C)cs3)CCCC2)cs1 81595532 YXKAPGDLROMSCO-UHFFFAOYSA-N 335.542 4.810 0 40 EJAB Cc1ccc(-c2nc(CN[C@H]3CCCc4nc(C)sc43)co2)cc1 95968794 AOUHBIJFDFXRNE-INIZCTEOSA-N 339.464 4.582 0 40 EJAB CC(C)(C)CC(=O)N1CCC(Nc2ccc(Cl)c(Cl)c2)CC1 96009180 QCCRSWAJFQRWNQ-UHFFFAOYSA-N 343.298 4.833 0 40 EJAB O=C(N[C@@H]1CCCc2c1[nH]c1ccc(F)cc21)c1cccc2[nH]ccc12 96114800 YFGWXZBTYKGDAE-LJQANCHMSA-N 347.393 4.596 0 40 EJAB biogenic O=C(c1cccc(Cl)c1)N1CCS[C@H](c2ccccc2)CC1 211141317 LEDOOMHJJNNHEU-KRWDZBQOSA-N 331.868 4.660 0 40 EJAB CCOc1ccc(C(=O)NC2CCCCCC2)cc1COCC(C)C 224734423 WRYDEGKFPZULRY-UHFFFAOYSA-N 347.499 4.711 0 40 EJAB Cc1ccc(C(=O)NCCCc2ccc(OC(C)C)cc2)c(Cl)c1 225003275 BISYDLBGPZYJKX-UHFFFAOYSA-N 345.870 4.798 0 40 EJAB CC[C@@H](NC(=O)CCc1ccc(OC)c(C)c1)c1ccc(C)c(C)c1 225511401 ITPXQVPVPIAENS-HXUWFJFHSA-N 339.479 4.821 0 40 EJAB Cc1ccc([C@H](NC(=S)Nc2ncccc2C)c2ccccc2)cc1 225512474 IWDVAOFRKFXSBX-LJQANCHMSA-N 347.487 4.774 0 40 EJAB Cc1ccc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1C 225575155 TZXOXVNCVBYQHU-QGZVFWFLSA-N 340.492 4.892 0 40 EJAB COc1ccccc1[C@@H](C)NC(=O)/C(=C/c1ccco1)c1ccccc1 225757463 VFQJFDOLGAMBHW-MURKYSCBSA-N 347.414 4.706 0 40 EJAB Cc1ccc(-c2nnsc2C(=O)Nc2cccc3ccccc23)cc1 225773891 LQOZYDDPDIXOOS-UHFFFAOYSA-N 345.427 4.919 0 40 EJAB CSc1ccccc1C(=O)N1CCCC[C@H]1CSC(C)(C)C 390830813 NPUFGZFSMTXGMF-AWEZNQCLSA-N 337.554 4.935 0 40 EJAB Cc1ccc(C)c(C(=O)CCC(=O)Nc2ccc(C)c(Cl)c2)c1 408830193 OMCQPTRLYNNGHU-UHFFFAOYSA-N 329.827 4.867 0 40 EJAB COc1cccc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)c1OC 384148 RQWSJDSBOMXUII-UHFFFAOYSA-N 345.398 4.527 0 40 EJAB CC[C@H](C)Oc1ccc(C(=O)Nc2ccccc2N2CCCC2)cc1 569741 XHPSUQYESSBGRK-INIZCTEOSA-N 338.451 4.716 0 40 EJAB Cc1cc2nccc([C@H](C)Oc3ccc(-c4ccccc4)c(F)c3)n2n1 1383638 KMULIFTYIYENHD-HNNXBMFYSA-N 347.393 4.984 0 40 EJAB Cc1ccc2nc([C@@H](C)NC(=O)c3ccc(Cl)cc3Cl)[nH]c2c1 1385925 GTLKMRJULPEDBB-SNVBAGLBSA-N 348.233 4.669 0 40 EJAB O=C(c1ccc(CN2CC=CC2)cc1)c1cccc(Cl)c1Cl 2514917 JHCPRQSMPISZFW-UHFFFAOYSA-N 332.230 4.596 0 40 EJAB Fc1ccccc1OCCSc1nnc(Nc2ccccc2)s1 2627622 LSVMSTAMPKILQA-UHFFFAOYSA-N 347.440 4.592 0 40 EJAB O=C(CCCSc1nc2ccccc2s1)Nc1ccccc1 2629060 JHMFFIBHXZDBAX-UHFFFAOYSA-N 328.462 4.807 0 40 EJAB COc1ccc(C)cc1NC(=O)CCCOc1ccc(Cl)cc1C 2736468 YWBVRRZMYKGGRU-UHFFFAOYSA-N 347.842 4.763 0 40 EJAB Cc1ccc(-c2cc(C(F)(F)F)n3nc(C)c(Cl)c3n2)s1 2786437 LDFAABUTNQGMDK-UHFFFAOYSA-N 331.750 4.747 0 40 EJAB N=C1S/C(=C/c2ccc(Cl)cc2)C(=O)N1c1ccccc1F 4580480 NOBDODTYPCIJDS-OGJKRULYSA-N 332.787 4.535 0 40 EJAB Cn1c(C(=O)Nc2cc(Cl)ccc2Cl)cc2sccc21 4971178 IIFFNBLSSWQVGO-UHFFFAOYSA-N 325.220 4.799 0 40 EJAB Cc1c(Cl)cccc1NC(=S)NC12CC3CC(CC(C3)C1)C2 5262038 PMJDFXRIQJNTNC-UHFFFAOYSA-N 334.916 4.904 0 40 EJAB c1coc(CNc2ncnc3oc(-c4ccco4)c(-c4ccco4)c23)c1 5346442 GWSGZWSNKYJUHO-UHFFFAOYSA-N 347.330 4.948 0 40 EJAB O=C(NCc1ccc(Cl)cc1)C(c1ccccc1)c1ccccc1 5602426 ZHQYSRGOVORSHQ-UHFFFAOYSA-N 335.834 4.788 0 40 EJAB Fc1ccc(-c2cc3ncnc(SC[C@H]4CCCO4)c3s2)cc1 7544103 IAMVQHIMFYUKNM-CYBMUJFWSA-N 346.452 4.769 0 40 EJAB COc1ccc(CC(=O)Nc2ccc(C(F)(F)F)cc2Cl)cc1 7791601 FSRIJEJAYGEDHM-UHFFFAOYSA-N 343.732 4.549 0 40 EJAB CCn1c(SCc2cc(C)ccc2OC)nnc1-c1cccs1 7824297 JLVXNDHFFUSWJT-UHFFFAOYSA-N 345.493 4.636 0 40 EJAB COc1c(Cl)cc(C(=O)Nc2cc(F)ccc2C)cc1Cl 8122900 DCYSAZRMUITYCL-UHFFFAOYSA-N 328.170 4.702 0 40 EJAB O=C(CCc1nc2ccccc2s1)N1CCC[C@H]1c1cccs1 9614139 OFJUTUMRUWNAMD-AWEZNQCLSA-N 342.489 4.654 0 40 EJAB Cc1nc(-c2ccsc2)sc1C(=O)N[C@@H](C)c1ccc(F)cc1 12974222 KYEQIYGXGBYEKD-JTQLQIEISA-N 346.452 4.810 0 40 EJAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccccc1C(C)C 14022096 PTRWYLJQSBLIPO-OAQYLSRUSA-N 348.446 4.713 0 40 EJAB Cc1cc(NC(=O)C(C)(C)C)ccc1-c1cc2ccccc2oc1=O 14258528 HNIRXEGGBIRPEE-UHFFFAOYSA-N 335.403 4.753 0 40 EJAB CC1CCN(c2ccc(NC(=O)c3cccc(F)c3)cc2Cl)CC1 14268873 KDGACDAILFCPIQ-UHFFFAOYSA-N 346.833 4.968 0 40 EJAB CN(Cc1ccc2ccccc2c1)C(=O)COc1ccc(Cl)cc1 15520210 HEWINMSAXBPTQA-UHFFFAOYSA-N 339.822 4.531 0 40 EJAB O=C(Nc1ccc(Br)cc1F)c1ccc(Cl)cc1F 15581860 SWKXFSCLWFWTLY-UHFFFAOYSA-N 346.558 4.633 0 40 EJAB O=C(NCc1ccccc1)Nc1nc(-c2cc3ccccc3o2)cs1 22479669 PYRNCANABCFNSZ-UHFFFAOYSA-N 349.415 4.878 0 40 EJAB O=C(Nc1ccc(F)cc1)c1ccccc1NC(=O)C1CCCCC1 24842037 DKCDCNHMGHPACV-UHFFFAOYSA-N 340.398 4.597 0 40 EJAB O=C(OCc1cccs1)c1ccc(CSc2ccccc2)o1 40060211 RTJBDBZSVFASOD-UHFFFAOYSA-N 330.430 4.990 0 40 EJAB C[C@@H](c1nnc(-c2cccs2)o1)N1CCC[C@@H]1c1ccsc1 48234205 OLBBZAMRFQROGV-WCQYABFASA-N 331.466 4.758 0 40 EJAB Cc1ccc(Cl)cc1NC(=O)c1cc(-c2cccc(Cl)c2)[nH]n1 57412659 AJKHECUUOQJNPO-UHFFFAOYSA-N 346.217 4.944 0 40 EJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)c1cc(C)ccc1C 59351536 MGDCPZMSSZVAPU-DNVCBOLYSA-N 345.870 4.992 0 40 EJAB COc1ccc(NC(=S)Nc2ccc(Cl)cc2F)cc1Cl 71761836 DPCYLKBSCWPESD-UHFFFAOYSA-N 345.226 4.950 0 40 EJAB CC(C)(C)OC(=O)N1CCC[C@@H]1c1cccnc1N1CCCCCC1 72216699 IMCSYRNESPWZEW-QGZVFWFLSA-N 345.487 4.534 0 40 EJAB Clc1cc(Cl)c2oc(-c3cncc(Br)c3)nc2c1 73638643 IDUNBFALVLNPCN-UHFFFAOYSA-N 343.995 4.959 0 40 EJAB O=C(c1ccccc1)N1N=C(c2ccsc2)C[C@@H]1c1ccsc1 89822920 YFKBHJQCOUIQLN-QGZVFWFLSA-N 338.457 4.801 0 40 EJAB CC[C@](C)(Nc1ccc(C)cc1C)c1nnnn1-c1c(C)cccc1C 102386889 RIYYUZKSJXXOIO-NRFANRHFSA-N 349.482 4.633 0 40 EJAB CCCOc1ccc(C(=O)N[C@@H](CC)c2ccc(C)cc2C)cc1 218983037 JSCHZOURIPIXPO-FQEVSTJZSA-N 325.452 4.973 0 40 EJAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccc3c4c(cccc24)CC3)c1 224611701 UUJQZHOZYFGRTH-INIZCTEOSA-N 345.442 4.961 0 40 EJAB COCc1cccc(NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)c1 225186030 XZOWRQMAPYOZBI-INIZCTEOSA-N 341.451 4.671 0 40 EJAB CC[C@@H](C)Oc1ccc(NC(=O)[C@](C)(CC)OC)c2ccccc12 225792089 RPWOXVWYXQYWAQ-VLIAUNLRSA-N 329.440 4.771 0 40 EJAB Cc1cccc(-c2nc3cc(N(C)C(=O)C(F)(F)F)cc(C)c3o2)c1 226269597 ZKNIKMZKBRQJAT-UHFFFAOYSA-N 348.324 4.637 0 40 EJAB COc1cccc(C2=NN(c3ccc(C)cc3C)[C@@H](C(F)(F)F)C2)c1 258329390 ANXNCRHCQKQYJX-GOSISDBHSA-N 348.368 4.857 0 40 EJAB CCc1c(-c2ccccc2)[nH]c2ccc(Br)cc2c1=O 685938324 HOJFMULZFBWAKN-UHFFFAOYSA-N 328.209 4.520 0 40 EJAB CCOC(=O)c1cnc2c(C)cc(C)cc2c1Nc1ccc(F)cc1 71943 LPILCPDGKQHAPT-UHFFFAOYSA-N 338.382 4.911 0 40 EJAB CCCc1sc(NC(=O)c2cccnc2)nc1-c1ccc(C)cc1 260421 QZXLPOPYINKENC-UHFFFAOYSA-N 337.448 4.718 0 40 EJAB Fc1cccc(Cl)c1[C@@H]1N=C(S)NC2=C1CCc1ccccc12 1407517 OHFUGXXBNSPDOQ-QGZVFWFLSA-N 344.842 4.767 0 40 EJAB COc1cccc(C(=O)c2c(-c3ccccc3)cc3ccccn23)c1 4980049 YXTMMYLYNGWGOS-UHFFFAOYSA-N 327.383 4.846 0 40 EJAB Cc1cc2cc(CNC(=S)Nc3ccccc3Cl)ccc2[nH]1 5066035 OQUZKJQFJMDIPF-UHFFFAOYSA-N 329.856 4.616 0 40 EJAB CN(Cc1nc2ccccc2s1)C(=O)c1ccc2ccccc2c1 5406275 AZZCDJIHDXKRKJ-UHFFFAOYSA-N 332.428 4.722 0 40 EJAB OCCCCOC(c1ccccc1)(c1ccccc1)c1ccccc1 5812262 CGCHCSJZVSGAIH-UHFFFAOYSA-N 332.443 4.768 0 40 EJAB CCOc1cc(C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OC 6207211 PFRILKQIHQPUBQ-UHFFFAOYSA-N 333.815 4.616 0 40 EJAB Cc1nc(-c2ccc(NC(=O)c3cc4c(s3)CCC4)cc2)cs1 7437935 YSDDAWRTRCHWLZ-UHFFFAOYSA-N 340.473 4.921 0 40 EJAB O=C(c1ccc(-c2ccc(F)cc2)o1)N1CCC[C@H](C(F)(F)F)C1 10287655 GQISVZLUDZENDE-LBPRGKRZSA-N 341.304 4.500 0 40 EJAB CC(=O)Nc1ccc(SCC(=O)c2c(C)c(C)cc(C)c2C)cc1 12787577 PMVDJWUVZIAPHE-UHFFFAOYSA-N 341.476 4.854 0 40 EJAB Fc1ccccc1SC[C@@H]1CSc2nnc(-c3ccccc3)n21 12898146 HJXMUGGKOJVZOY-CYBMUJFWSA-N 343.452 4.523 0 40 EJAB COc1cccc(Nc2nc(-c3ccccc3O)nc3ccccc23)c1 13121818 JNZDFSCGJJRAJT-UHFFFAOYSA-N 343.386 4.755 0 40 EJAB O=C(Oc1ccccc1Br)c1ccc2ccccc2c1 13141626 XXJCVHILFKQJEX-UHFFFAOYSA-N 327.177 4.822 0 40 EJAB O=C(Cc1cccc2ccccc12)Nc1ccnn1CC1CCCCC1 14228259 IEGCZEKINZOGOP-UHFFFAOYSA-N 347.462 4.798 0 40 EJAB CCOc1ccccc1CNC(=O)CCSc1ccc(Cl)cc1 20037517 WTHPTPROQUWQHY-UHFFFAOYSA-N 349.883 4.537 0 40 EJAB O=C(Nc1nc2ccccc2s1)N1CCC[C@H]1c1ccc(F)cc1 25314386 UXMDBPMOBDONJP-HNNXBMFYSA-N 341.411 4.804 0 40 EJAB C[C@H](c1ccccc1)N(C)C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 36386106 JYKLNFIVQTVFHG-SNPRPXQTSA-N 328.378 4.510 0 40 EJAB Cc1ccc2c(CC(=O)N(C)[C@@H]3CCc4ccccc43)coc2c1C 37149132 ZWVWOUKVYDJKQE-HXUWFJFHSA-N 333.431 4.738 0 40 EJAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCCCc1ccccc1 38754155 VXEVDBVCFOMLAT-NRFANRHFSA-N 347.458 4.746 0 40 EJAB CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=O)cc1Cl 53944017 HQRBEWPKIFRJGM-UHFFFAOYSA-N 340.810 4.794 0 40 EJAB Cc1nc2ccc(C(=O)Nc3cc(C(C)(C)C)ccc3O)cc2nc1C 84057467 PGEZOUGOCPBAKH-UHFFFAOYSA-N 349.434 4.502 0 40 EJAB O=C(N[C@H]1C[C@@H]1c1ccccc1)C1(c2cccc(F)c2)CCCCC1 89828042 NSOCRLVIKLHWEK-UXHICEINSA-N 337.438 4.700 0 40 EJAB O=C(C[C@H]1C[C@@H]2CC[C@@H]1C2)Nc1ccc2c(c1)C(=O)c1ccccc1-2 100226325 KNWKNLLHCPJJQD-RBSFLKMASA-N 331.415 4.663 0 40 EJAB COCc1cccc(CNC(=O)N(c2ccccc2)c2ccccc2)c1 181924123 TWIWIKRMKDSTQM-UHFFFAOYSA-N 346.430 4.881 0 40 EJAB Cc1oc(-c2ccco2)nc1C[S@](=O)[C@@H](C)c1ccc(Cl)cc1 194542788 CGLXPMCCBUZXQR-MYODQAERSA-N 349.839 4.906 0 40 EJAB Cc1cc(Br)c2[nH]c(-c3ccc(Cl)c(N)c3)nc2c1 216918322 ILWUXVDDHCDWQD-UHFFFAOYSA-N 336.620 4.536 0 40 EJAB CC[C@H](NC(=O)CSCc1ccc(F)cc1)c1ccc(C)c(C)c1 219262896 WHSBTZHIRQADIQ-IBGZPJMESA-N 345.483 4.943 0 40 EJAB Cc1ccc(N2CCC(C(=O)Nc3cccc(Cl)c3C)CC2)cc1 219852621 TWYUMGFEZZABIZ-UHFFFAOYSA-N 342.870 4.812 0 40 EJAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCCCc1ccc(C)cc1 222994578 KSRKXNSDVKBTQX-NRFANRHFSA-N 339.479 4.518 0 40 EJAB Cc1ccc(CCCNC(=S)Nc2ccc(OC(C)C)cc2)cc1 225389252 LBVQUCGOLGVQLU-UHFFFAOYSA-N 342.508 4.701 0 40 EJAB CCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)cn1 225866856 ANNDZXNGRJLUFO-UHFFFAOYSA-N 338.451 4.629 0 40 EJAB CCCOc1ccc(NC(=O)[C@@](C)(CC)OCCC)c2cccnc12 225904259 BLJVEVZBIHJFGG-HXUWFJFHSA-N 344.455 4.557 0 40 EJAB CCc1ccc(C(=O)Nc2cc(C)ccc2-c2ccc(C(=O)O)o2)cc1 226356547 MVMBKDIJFBXLEF-UHFFFAOYSA-N 349.386 4.768 0 40 EJAB C[C@H](Cc1cc2ccccc2o1)NC(=O)Nc1ccccc1Cl 253473563 WKRMKUGVCHJNMM-GFCCVEGCSA-N 328.799 4.839 0 40 EJAB C[C@@H](Cc1cc2ccccc2o1)NC(=O)Nc1ccccc1Cl 253473564 WKRMKUGVCHJNMM-LBPRGKRZSA-N 328.799 4.839 0 40 EJAB Clc1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3)Nc3ncnn32)cc1 407819 WNVAJAMIIYZLMR-CVEARBPZSA-N 345.233 4.731 0 40 EJAB CC(C)c1ccc(S[C@H]2CCS(=O)(=O)c3sccc32)cc1 1398518 GFEPPRAVCAUANW-HNNXBMFYSA-N 338.519 4.882 0 40 EJAB CCCc1ccc(OCCCC(=O)Nc2ccccc2OCC)cc1 1787208 WVXKIISSOIYLGX-UHFFFAOYSA-N 341.451 4.836 0 40 EJAB COc1ccc(/C=C/C(=O)Nc2c(C)cccc2C(C)C)cc1OC 1948223 GXRUVOKKSSTNCY-ZRDIBKRKSA-N 339.435 4.788 0 40 EJAB Cc1cc(C)c(NC(=O)COc2cc(Cl)ccc2Cl)c(C)c1 2650857 XDFKBHCJFSPOJK-UHFFFAOYSA-N 338.234 4.936 0 40 EJAB O=C(Nc1cc(Cl)ccc1O)c1cc(-c2ccc(Cl)cc2)on1 3907689 CLRWQZVBHPWGIX-UHFFFAOYSA-N 349.173 4.606 0 40 EJAB CC(C)=CCCC1=CC[C@@H]([C@@H]2OC[C@H](CN3CCCCC3)O2)[C@@H](C)C1 4026389 XIHJFMFAIYGPCL-VXSCBNMQSA-N 347.543 4.933 0 40 EJAB Cc1ccc(Nc2c(-c3ccc(N(C)C)cc3)nc3ncccn23)cc1 4735165 HQRWDHBXRGKCDN-UHFFFAOYSA-N 343.434 4.514 0 40 EJAB O=C(/C=C/c1ccccc1F)OCc1csc(-c2ccccc2)n1 5078725 FGPIAIMGUBHNMA-ZHACJKMWSA-N 339.391 4.706 0 40 EJAB COc1cc(/C=C/CO)cc(OC)c1OC/C=C(\C)CCC=C(C)C 5158589 MWNIFFJAKKQUJF-NRHDHWSESA-N 346.467 4.781 0 40 EJAB biogenic,in-vitro Cc1nc2ccccc2c(C)c1CC(=O)N[C@H]1CCCc2ccccc21 5199136 XIUPAUGWWJACIB-QFIPXVFZSA-N 344.458 4.588 0 40 EJAB Fc1ccc(CSc2nnc3c(n2)[nH]c2ccccc23)c(Cl)c1 5731719 OYRRJSJCOJWPDS-UHFFFAOYSA-N 344.802 4.591 0 40 EJAB Cc1ccc([C@H](C)NC(=O)CSc2ccc(Cl)cc2)cc1C 6123789 XHIPXWXDPGHBAT-AWEZNQCLSA-N 333.884 4.926 0 40 EJAB Cc1ccc(Nc2nc(CSc3nnc(C)s3)cs2)cc1 6510345 LLJHCLKMPKGKOV-UHFFFAOYSA-N 334.495 4.647 0 40 EJAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(F)cc1 7688113 MFPFFOWIFAEHLD-UHFFFAOYSA-N 341.304 4.886 0 40 EJAB CC[C@H](C)NCc1cc(Cl)c(OCc2ccccc2)c(OC)c1 8326665 PXGWCYPBORPPQE-AWEZNQCLSA-N 333.859 4.816 0 40 EJAB CC(C)CC[C@H](CCNCc1ccccn1)c1ccc2c(c1)OCO2 8658311 FBTLVNVALYBICY-QGZVFWFLSA-N 340.467 4.510 0 40 EJAB O=[P@]1(Oc2ccccc2)OC[C@@H]2S[C@@H](c3ccccc3)C[C@H]2O1 8665643 RTCKBOBBKWDKGC-DBHNTLKXSA-N 348.360 4.836 0 40 EJAB O=C(Nc1ccc(C(=O)OC2CCCCC2)cc1)c1ccc(F)cc1 8904023 NUGWLMFYMYFOTK-UHFFFAOYSA-N 341.382 4.568 0 40 EJAB O=C(c1ccc(Cl)cc1Cl)N1CCc2[nH]c3ccccc3c2C1 9899764 SWAGUWFMFXCEDF-UHFFFAOYSA-N 345.229 4.673 0 40 EJAB C[C@@H]1Cc2ccccc2N1C(=O)CSCc1ccc(Cl)cc1 10449646 BYCDJWIPMGNIEZ-CYBMUJFWSA-N 331.868 4.551 0 40 EJAB COc1ccc(C)cc1NC(=O)[C@@H](C)Oc1cccc2ccccc12 13709070 NTVYGUNNVQPNEX-OAHLLOKOSA-N 335.403 4.563 0 40 EJAB C[C@H]1C[C@@H](C)CN(c2ncnc3scc(-c4ccc(F)cc4)c23)C1 13713336 LEWMLPXVFIGBOQ-BETUJISGSA-N 341.455 4.980 0 40 EJAB Cc1ccc([C@H](C)NC(=S)Nc2ccc(Br)cc2)cc1 13816114 PDDUWNFQPHKVIC-LBPRGKRZSA-N 349.297 4.805 0 40 EJAB Fc1ccccc1COc1ccccc1CNCCc1ccccc1 16479408 JRSNKVHWJMDTHL-UHFFFAOYSA-N 335.422 4.737 0 40 EJAB Cc1cc(OC(C)(C)C(=O)N2c3ccccc3C[C@@H]2C)ccc1Cl 17071784 JMTNZGUPJDTROQ-AWEZNQCLSA-N 343.854 4.784 0 40 EJAB Cc1cccc(Oc2ccc(N3C(=O)[C@H]4CC[C@H](C)C[C@@H]4C3=O)cc2)c1 18045392 RPFXZAVVAHHALA-YSSFQJQWSA-N 349.430 4.713 0 40 EJAB CN(C)[C@@H](CNCc1ccc(-c2ccccc2Cl)o1)c1ccco1 22787428 HIFWUDINYJNRML-KRWDZBQOSA-N 344.842 4.586 0 40 EJAB C[C@@H](Nc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 24060258 RKCIAGOUBYRZSB-MRXNPFEDSA-N 332.403 4.918 0 40 EJAB CC(=O)c1ccc(NC(=O)CSc2cccc3ccccc23)cc1 32691633 YEUKOYYSOLSMDY-UHFFFAOYSA-N 335.428 4.773 0 40 EJAB Cc1cccc(CSCC(=O)N[C@H](C)c2cc3ccccc3o2)c1 39980642 PWJSUTQJXQAFHA-OAHLLOKOSA-N 339.460 4.852 0 40 EJAB C(=C/c1ccccc1)\CSc1nnc(C2CC2)n1Cc1ccco1 40159150 NFDKXZQRIICZED-VMPITWQZSA-N 337.448 4.602 0 40 EJAB CC[C@H](C)c1noc([C@@H]2CCCCN2C(=O)CCC2CCCC2)n1 41123381 ZAJQCHGHJDKMRI-HOCLYGCPSA-N 333.476 4.607 0 40 EJAB CCc1cccc2c(C(=O)CN3CCC[C@@H]3c3cccs3)c[nH]c12 58160800 KVPVOQIYZTYSHG-QGZVFWFLSA-N 338.476 4.812 0 40 EJAB CCc1ccc(O[C@@H](CC)C(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1 59351346 RPTOFZBNPSDOQO-UTKZUKDTSA-N 339.479 4.901 0 40 EJAB COc1cccc(CN[C@@H](C)c2ccc(Cl)c(Cl)c2)c1OC 60831724 SQKMQQFXRAJFEA-NSHDSACASA-N 340.250 4.861 0 40 EJAB O=C(Nc1ccccc1Cl)N(Cc1ccccn1)Cc1ccco1 62018132 NOEXLTMGWGTMSG-UHFFFAOYSA-N 341.798 4.562 0 40 EJAB Cc1cccc(NC(=O)CSCc2ccc(Cl)cc2Cl)n1 72024731 FUZZSUVYFYNZDI-UHFFFAOYSA-N 341.263 4.569 0 40 EJAB Cc1ccc2oc(C(=O)N3CCCCC[C@H]3c3ccncc3)cc2c1 84208300 HBBOMUSXYFORCM-SFHVURJKSA-N 334.419 4.894 0 40 EJAB Cc1cc(Br)ccc1C(=O)c1ccc(Cl)c(F)c1 95916273 VKZTXHVIJQEYRE-UHFFFAOYSA-N 327.580 4.781 0 40 EJAB Cc1ccc(C23C[C@@H]4C[C@H](CC(CC(=O)N5CCCC5)(C4)C2)C3)cc1 100864042 JBGRADCLZSHDPF-WSUXWNOTSA-N 337.507 4.846 0 40 EJAB Cc1ccccc1N(C(=O)c1csc(-c2ccccn2)n1)C(C)C 105582700 FOANRZCGTHHQHZ-UHFFFAOYSA-N 337.448 4.569 0 40 EJAB C[C@H](Cn1ccc2cc(Br)ccc2c1=O)c1ccccc1 114146039 ZEYWHPIEEHTHGW-CYBMUJFWSA-N 342.236 4.568 0 40 EJAB Cc1ccc(CSCCNC(=O)CCc2ccccc2Cl)cc1 220011348 UICLEXUIIYPZOU-UHFFFAOYSA-N 347.911 4.631 0 40 EJAB COC(=O)c1cn(C(=O)C2(c3ccccc3)CCCC2)c2ccccc12 222647423 HXQKHBALDDOWEO-UHFFFAOYSA-N 347.414 4.580 0 40 EJAB COc1ccc(CCC(=O)Nc2ccccc2C(F)(F)F)cc1C 224012386 VWLLGLGIKVLYRW-UHFFFAOYSA-N 337.341 4.594 0 40 EJAB C[C@@H](CNC(=O)c1ccccc1OCc1ccccc1)c1ccccc1 224274108 NKQNCWKSAQNUKL-SFHVURJKSA-N 345.442 4.799 0 40 EJAB CC(C)C1(NC(=S)Nc2cccc(Br)c2)CCCC1 225845753 VSEPGPUEYKMCMV-UHFFFAOYSA-N 341.318 4.704 0 40 EJAB O=C1c2ccccc2CN1c1ccc2nc(-c3ccccc3)oc2c1 226286823 MGWLFAJDUKDSLN-UHFFFAOYSA-N 326.355 4.655 0 40 EJAB C[C@@H](Nc1ccc(NC(=O)N2CCCCCC2)cc1)[C@H]1CC1(F)F 585141469 WLAJWTIMFWENNZ-CZUORRHYSA-N 337.414 4.550 0 40 EJAB O=C(O[C@H](c1ccccc1)c1nccc2ccccc12)c1ccco1 135035 QDKUCYDTACUCQE-HXUWFJFHSA-N 329.355 4.774 0 40 EJAB O=C1CS[C@@H](c2cccc(Cl)c2Cl)N1c1ccc(F)cc1 180248 MQCZYPODTOMEAT-HNNXBMFYSA-N 342.222 4.911 0 40 EJAB COc1ccc(-c2noc(C(C)(C)Oc3ccc(Cl)cc3)n2)cc1 199783 LRYQTUYJBNARME-UHFFFAOYSA-N 344.798 4.713 0 40 EJAB COc1ccccc1O[P@@](C)(=O)Nc1cccc(Cl)c1C 326102 WDPZKZWHROSRRX-OAQYLSRUSA-N 325.732 4.971 0 40 EJAB CC(=O)Oc1ccc2c(=O)c(Oc3cccc4ccccc34)coc2c1 487486 DMVKBJOFBDYTQH-UHFFFAOYSA-N 346.338 4.664 0 40 EJAB biogenic O=c1cc(-c2cccc(Br)c2)oc2ccc(Cl)cc12 506748 LNPSYDJGQQETLB-UHFFFAOYSA-N 335.584 4.876 0 40 EJAB O=C1OCCC1(Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1 1623858 HXHNLFJNZMQXCE-UHFFFAOYSA-N 335.230 4.712 0 40 EJAB CCCc1cc2c(cc1NC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C)OCO2 1670456 QPHJVFKCXRFWFY-KBXCAEBGSA-N 329.440 4.545 0 40 EJAB in-vitro COc1ccc(CC(=O)Nc2cccc(Oc3ccccc3)c2)cc1 2634572 NYOJVWDPGMIRLJ-UHFFFAOYSA-N 333.387 4.669 0 40 EJAB CCCCCn1c([C@H](C)NC(=O)Cc2ccccc2)nc2ccccc21 2721365 AUNVSARGGBGUQR-KRWDZBQOSA-N 349.478 4.646 0 40 EJAB CC(=O)c1ccc(NC(=O)Cc2ccc(-c3ccccc3)cc2)cc1 3479676 QGIKYMYQWNJIDM-UHFFFAOYSA-N 329.399 4.737 0 40 EJAB Cc1cccc(N[C@@H](c2ccccn2)c2c(C)[nH]c3ccccc23)n1 4148689 YSMGXGMEJVBETQ-NRFANRHFSA-N 328.419 4.776 0 40 EJAB Cc1ccc(CSc2nncn2-c2ccc(C)c(Cl)c2)cc1 6103701 JAHNXGKMGJIKKC-UHFFFAOYSA-N 329.856 4.830 0 40 EJAB Cc1ccc(-c2c(C(N)=O)c(C)nc3sc4c(c23)CCCC4)cc1 6507876 HHUTZBQPVWWDHO-UHFFFAOYSA-N 336.460 4.558 0 40 EJAB CCCOc1ccc(OCCSc2ccc(NC(C)=O)cc2)cc1 7028274 XYJWGGZJLZMDIG-UHFFFAOYSA-N 345.464 4.605 0 40 EJAB CC[C@@H](NC(=O)c1cc2ccccc2cc1OC)c1ccc(OC)cc1 7986703 DCYYSKPEMQJAMV-HXUWFJFHSA-N 349.430 4.738 0 40 EJAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccc(C(C)C)cc1 8481147 YKHBADBUNFYUIH-KRWDZBQOSA-N 327.424 4.615 0 40 EJAB CCC1=Nc2ccccc2N=C(NC(=O)C2CC2)[C@@H]1c1ccc(F)cc1 9095232 NSJUTFGFOHNRGV-LJQANCHMSA-N 349.409 4.662 0 40 EJAB CCCCn1nc(NC(=O)C(C)(C)C)c2cc3ccc(C)cc3nc21 9328254 JDXLDZSERBZERC-UHFFFAOYSA-N 338.455 4.678 0 40 EJAB Cc1cc(=S)n2nc(-c3ccc(C(F)(F)F)cc3)sc2n1 12953851 JYENTKORVGXKCM-UHFFFAOYSA-N 327.356 4.515 0 40 EJAB Cc1ccc(-c2nc3cc(C)c(C)c(Br)c3o2)cc1N 20156851 RIBPGMOQNANOHL-UHFFFAOYSA-N 331.213 4.765 0 40 EJAB Cc1ccc(CN(C)C(=O)[C@H](C)Oc2cccc3ccccc23)cc1 20456621 PUXTZRUKWZJOSO-KRWDZBQOSA-N 333.431 4.574 0 40 EJAB C[C@H](c1ccccc1)N(C)C(=O)CSc1nc2ccccc2s1 20822637 LIFCSPSAGCOVAY-CYBMUJFWSA-N 342.489 4.608 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)COc2ccc(C(C)C)cc2)c(C)c1 22529627 WQRVBCZIVAZBRP-QGZVFWFLSA-N 325.452 4.683 0 40 EJAB O=C(Cc1cccc2ccccc12)Nc1nc(-c2ccccc2)ns1 27749030 RVHKFRBTEKAKNS-UHFFFAOYSA-N 345.427 4.540 0 40 EJAB C[C@H]1c2cccn2CCN1C(=O)c1sc2ccccc2c1Cl 29379364 YTVWTMWWPBWRGK-NSHDSACASA-N 330.840 4.573 0 40 EJAB C[C@@H](Sc1nc2ccccc2s1)c1nc(-c2ccco2)no1 29738105 QGGQWJOFNJPFTA-SECBINFHSA-N 329.406 4.793 0 40 EJAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)[C@@]1(C)CC1(Cl)Cl 32754302 OSFITVDRVXRQIQ-ZUZCIYMTSA-N 326.223 4.536 0 40 EJAB Cc1ccc(NC(=O)c2ccc(CSc3ccccc3)o2)c(O)c1 32770179 CNYWENXEFBYHPH-UHFFFAOYSA-N 339.416 4.838 0 40 EJAB Cc1noc(-c2ccc(Cl)cc2)c1C(=O)N[C@@H](C)c1ccccc1 35681748 PLBZJYGHOLOXEG-LBPRGKRZSA-N 340.810 4.794 0 40 EJAB O=C(c1csc(Cc2ccccc2)n1)N1CCC[C@H]2CCCC[C@@H]21 40090224 NJPDXVIYKYCDOA-AEFFLSMTSA-N 340.492 4.529 0 40 EJAB CSc1ccc(CN(C)C(=O)Nc2cc(Cl)ccc2F)cc1 40103865 UZQMZXYIKMWZSC-UHFFFAOYSA-N 338.835 4.865 0 40 EJAB CC(C)c1ccc2oc(-c3cc(-n4cnnc4)ccc3Cl)nc2c1 45887813 WFPLRRICPJVUHB-UHFFFAOYSA-N 338.798 4.852 0 40 EJAB COc1cc([C@H](C)NC(=O)C[C@H]2C=CCC2)ccc1OC1CCCC1 48331638 MSGVGHHAMNDYGS-HOTGVXAUSA-N 343.467 4.550 0 40 EJAB COc1ccc(NC(=O)Nc2ccc(Br)cc2C)c(C)c1 51355932 PWAIICQWEYXJGB-UHFFFAOYSA-N 349.228 4.719 0 40 EJAB CC[C@H](C)Sc1ccc(NC(=O)NCc2cc(C)on2)c(C)c1 69527725 ZYJMEIUWKZINGO-ZDUSSCGKSA-N 333.457 4.504 0 40 EJAB CCCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2CC)cn1 72214969 CYNQMNCHHKSXAC-KRWDZBQOSA-N 347.503 4.780 0 40 EJAB CO[C@@H]1CC2(CCN(Cc3ccc(C)o3)CC2)c2ccc(C)cc21 96100190 APQLROJBCAPUMI-HXUWFJFHSA-N 325.452 4.521 0 40 EJAB C[C@H](Sc1ccccc1)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 223153549 KLLZFSHNCANXHJ-CABCVRRESA-N 325.477 4.533 0 40 EJAB CC[C@H](NC(=O)c1ccc(OC)c(Cl)c1)c1ccc(C)c(C)c1 223654164 RKIAOXQWLNXJJZ-KRWDZBQOSA-N 331.843 4.847 0 40 EJAB COc1ccc(C(=O)Nc2ccccc2)cc1COc1cccc(C)c1 224108230 YPUVVAHCYSMPFK-UHFFFAOYSA-N 347.414 4.835 0 40 EJAB CCOc1ccc([C@H](C)NC(=O)c2ccc(C)cc2C)cc1OCC 224621092 FPRDYOLBBCZCHS-INIZCTEOSA-N 341.451 4.592 0 40 EJAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)NC(C)(C)Cc1ccccc1 225450147 HCBODWPBJIWDRL-CQSZACIVSA-N 347.911 4.958 0 40 EJAB COc1ccccc1NC(=O)NCCCc1cccc2ccccc12 225770492 JWYNQQBGCSKJQO-UHFFFAOYSA-N 334.419 4.603 0 40 EJAB CCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCC2)cn1 225860362 HHYOTZOLDGXGNW-UHFFFAOYSA-N 338.451 4.629 0 40 EJAB Cc1ccccc1CSc1nnc(Cc2ccc(Cl)cc2)[nH]1 226299687 NGYHVOPEOATYMS-UHFFFAOYSA-N 329.856 4.650 0 40 EJAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4C[C@@H](C)C(=O)[C@@]4(C)CC[C@H]32)C1 245238893 CEDMTUMXNJENDO-PWHQPZQZSA-N 344.495 4.696 0 40 EJAB CC(C)CC[C@]1(C)CC[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2O1 257278782 ODQWRCXEGRTJEB-FRQCXROJSA-N 325.493 4.617 0 40 EJAB CC(C)Oc1ccc(C(=O)NCCCc2cc3ccccc3o2)cc1 390832022 WRHZVFGDCSICKP-UHFFFAOYSA-N 337.419 4.583 0 40 EJAB CC[C@H](NC1(c2ccc(OC)cc2)CC1)c1cc(C)ccc1OC 538524164 FGIGPLMURUTNQQ-IBGZPJMESA-N 325.452 4.742 0 40 EJAB COc1ccc2oc([C@@H](O)c3c(C)oc4ccc(OC)cc34)cc2c1 195561 HYMWUQDJKXBZTL-HXUWFJFHSA-N 338.359 4.586 0 40 EJAB biogenic CC(C)Cc1ccc([C@H](C)C(=O)Nc2cc(Cl)ccc2O)cc1 365188 JHTULMNKLFLNTH-ZDUSSCGKSA-N 331.843 4.986 0 40 EJAB Cc1ccc(NC(=O)c2sc3nc4ccccc4cc3c2N)cc1 384003 DNLMABHUVDNCFP-UHFFFAOYSA-N 333.416 4.592 0 40 EJAB Cc1ccc(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)cc1 1404159 RCHJLURKESLXDG-UHFFFAOYSA-N 328.843 4.891 0 40 EJAB Cc1cc(C)cc(Nc2ncc3c(n2)C[C@@H](c2cccs2)CC3=O)c1 2429888 KWCPACIPDLOVAU-CQSZACIVSA-N 349.459 4.811 0 40 EJAB O=C(CCSc1ccc(Cl)cc1)Nc1ccc(F)c(F)c1F 3265480 FEZNEZGPDSINMK-UHFFFAOYSA-N 345.773 4.878 0 40 EJAB Cc1ccccc1NC(=O)Cc1csc2nc(-c3ccccc3)cn12 5146692 ODSIPIHVIRUGDZ-UHFFFAOYSA-N 347.443 4.552 0 40 EJAB O=C(CCCc1c[nH]c2ccccc12)NCCc1cccc(Cl)c1 8132466 FJLPJMGXKREQNZ-UHFFFAOYSA-N 340.854 4.503 0 40 EJAB Cc1ccc2[nH]c(-c3ccc(NC(=O)c4ccccc4)cc3)nc2c1 8833465 KCALIQOEAOMMLX-UHFFFAOYSA-N 327.387 4.791 0 40 EJAB CC(C)c1cc(C(=O)Nc2ccccc2F)c2cnn(C(C)C)c2n1 12879151 WHUNZMLZLGTSCK-UHFFFAOYSA-N 340.402 4.527 0 40 EJAB O=C(CCC(=O)c1ccccc1)Nc1ccccc1-c1ccccc1 13022176 VXKWYIHXXWIOCL-UHFFFAOYSA-N 329.399 4.955 0 40 EJAB O=C(Nc1cccc(Cl)c1)c1c[nH]nc1-c1ccc(Cl)cc1 14207615 SRKJADFVZPCAAV-UHFFFAOYSA-N 332.190 4.636 0 40 EJAB O=C(NCCSc1ccc(Cl)cc1)c1ccccc1Cl 15028462 CGDCGAJERGSAGL-UHFFFAOYSA-N 326.248 4.516 0 40 EJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(F)cc1F 20040069 WBOWOILNTGPAMT-LJQANCHMSA-N 341.357 4.914 0 40 EJAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(OC(C)C)cc1 20046636 QUNGWKZHAVWGDC-IBGZPJMESA-N 341.451 4.887 0 40 EJAB CCC[C@](O)(c1ccc(C)cc1)[C@H](CN1CCCC1)c1ccccc1 20868910 ZPGXQPDUMYGAJT-PKTZIBPZSA-N 337.507 4.862 0 40 EJAB Cc1ccc(-c2noc(CNc3ccc(Cl)c(Cl)c3)n2)cc1 23003905 XFRGLSHPIJZGTF-UHFFFAOYSA-N 334.206 4.964 0 40 EJAB O=C(N[C@@H](c1ccc2c(c1)CCCC2)c1cccs1)c1ccoc1 24659435 CGRNGNSTGTWUFO-IBGZPJMESA-N 337.444 4.739 0 40 EJAB C[C@H](c1cc2ccccc2o1)N(C)C(=O)Cc1c(F)cccc1Cl 32753919 MAHALPKIJVPZJG-GFCCVEGCSA-N 345.801 4.987 0 40 EJAB O=C1C[C@@H](c2cccc(F)c2)c2snc(-c3cccc(F)c3)c2N1 36559067 XCAGXLBKJGDPSR-AWEZNQCLSA-N 342.370 4.562 0 40 EJAB CCN(C(=O)Nc1ccc(C)cc1C)[C@H](C)c1cccc(OC)c1 47322371 NXUGGZUNDHHRHM-MRXNPFEDSA-N 326.440 4.927 0 40 EJAB Cc1cc(C)c2cc(C(=O)N(C)Cc3ccc([C@@H]4C[C@@H]4C)o3)[nH]c2c1 58006570 TVAXNUDGNPOJMF-WMLDXEAASA-N 336.435 4.773 0 40 EJAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N[C@H](C)c1cc(C)ccc1C 59351527 HSUXIQSVIDFYPS-NQIIRXRSSA-N 339.479 4.955 0 40 EJAB Cc1ccc2ncc(S(=O)(=O)c3ccc(C)c(C)c3)c(Cl)c2c1 72329814 ZVXLQSSXQDUTHZ-UHFFFAOYSA-N 345.851 4.646 0 40 EJAB CC(C)Cc1nnc([C@H](C)Sc2cccc(Br)c2)o1 95956628 YTFYMRZRWZYAKG-JTQLQIEISA-N 341.274 4.884 0 40 EJAB CCC[C@@H]1OC[C@]2(COC(=O)c3ccccc3)[C@@H](C)[C@@H]1C(C)=C[C@H]2C 100741978 NXYZFNXQKYPHHD-WDMRIIIPSA-N 342.479 4.877 0 40 EJAB biogenic CCOc1ccc(C(=O)Nc2ccccc2)cc1COCC(C)C 224735416 DACCQVSPPQBUDQ-UHFFFAOYSA-N 327.424 4.510 0 40 EJAB CCOc1ccc(CNC(=S)Nc2ccc(C)c(Cl)c2)cc1 225430121 OZPMXGUCXXNPBV-UHFFFAOYSA-N 334.872 4.534 0 40 EJAB COC1(C(=O)Nc2ccc(OC3CCCC3)cc2)CCC(C)CC1 225639846 PTHIJOYJYKZDAL-UHFFFAOYSA-N 331.456 4.542 0 40 EJAB Cc1ccccc1[C@H](N[C@H](C)c1ccc(O)nn1)[C@@H]1CCC[C@@H](C)C1 671747521 HUEVAMFTLUQQDF-VGKBRBPRSA-N 339.483 4.709 0 40 EJAB CCCN1C(=O)N(c2ccc(Cl)cc2Cl)[C@@](C)(O)CC1(C)C 495208 MKYDLDIXSLNAMX-INIZCTEOSA-N 345.270 4.523 0 40 EJAB CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(Cl)cc1 568861 UVOFBTMRAJJQAF-LBPRGKRZSA-N 346.883 4.980 0 40 EJAB CCc1cc(=O)oc2c(C)c3c(cc12)CN(c1cc(C)ccc1C)CO3 2124948 CSGGXLPDYRUWBS-UHFFFAOYSA-N 349.430 4.637 0 40 EJAB biogenic O=c1c(Cl)cc(C(F)(F)F)cn1Cc1cccc2ccccc12 2625617 FJYASRQRHIIBIA-UHFFFAOYSA-N 337.728 4.722 0 40 EJAB O=C(Nc1ccc2ccccc2c1)c1c(F)c(F)c(F)c(F)c1F 3067839 REJWGPYGHGOEME-UHFFFAOYSA-N 337.247 4.788 0 40 EJAB COc1ccc([C@H](C)NC(=O)C(c2ccccc2)c2ccccc2)cc1 3068005 GUCUPAYGBKHLRO-KRWDZBQOSA-N 345.442 4.705 0 40 EJAB O=C(Cc1c[nH]c2ccccc12)Nc1ccc(SC(F)F)cc1 3333886 FINRWLRWURQMJS-UHFFFAOYSA-N 332.375 4.664 0 40 EJAB COc1cc(Cl)c(C)cc1NC(=O)COc1ccccc1C(C)C 3359415 XPQKYXOOKWOCLW-UHFFFAOYSA-N 347.842 4.798 0 40 EJAB COc1cccc(COc2ccc(C(=O)c3ccc(F)cc3)cc2)c1 3449250 FBAFBZQYZOJUBE-UHFFFAOYSA-N 336.362 4.644 0 40 EJAB C[C@@H]1CCCN(CC(=O)N2c3ccccc3Sc3ccccc32)C1 3456292 RQSGIUPWCLBWNG-OAHLLOKOSA-N 338.476 4.548 0 40 EJAB CSc1ccccc1C(=O)Nc1nc2c(C)c(C)ccc2s1 4517433 GLHTXESRNBRESC-UHFFFAOYSA-N 328.462 4.887 0 40 EJAB CCc1nc(Nc2cc(C)ccc2OC)c2oc3ccccc3c2n1 5249740 UUHIHSKTMODWPW-UHFFFAOYSA-N 333.391 4.999 0 40 EJAB CCc1ccc(-c2nnc(-c3ccc(Br)cc3)o2)cc1 6419341 MEUKXJZPSWGXSV-UHFFFAOYSA-N 329.197 4.729 0 40 EJAB O=C(Cc1c(F)cccc1Cl)Nc1ccc(OC(F)(F)F)cc1 6943465 NGZSNOMYBBNXHC-UHFFFAOYSA-N 347.695 4.559 0 40 EJAB C1=C(c2ccc(-c3ccccc3)cc2)N=C2NN=NN2[C@@H]1c1ccco1 8970240 YGGXQOAEMLAPIH-SFHVURJKSA-N 341.374 4.586 0 40 EJAB c1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccsc2)cc1 10215060 YASSPHSXBBCXCW-UYAOXDASSA-N 332.428 4.990 0 40 EJAB COc1ccccc1NC(=O)N[C@H]1CCSc2ccc(Cl)cc21 12999015 YXLCPBSHLXREGO-ZDUSSCGKSA-N 348.855 4.707 0 40 EJAB C[C@H](Sc1ccc(Cl)cc1)C(=O)NCCCc1ccccc1 13648518 YDNLDKDXYYQEST-AWEZNQCLSA-N 333.884 4.570 0 40 EJAB CCc1cccc(CC)c1NC(=O)[C@H]1Cc2ccc(C)cc2S1 14093210 LIOVEEJXEBGSIU-GOSISDBHSA-N 325.477 4.775 0 40 EJAB C[C@@H]1Sc2nc(-c3ccccc3)cn2N=C1c1c[nH]c2ccccc12 16331451 ZOXARXZOSILETN-ZDUSSCGKSA-N 344.443 4.778 0 40 EJAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N(C)Cc1ccc(Cl)cc1 20040233 SQXIBVLXJXTCSX-GOSISDBHSA-N 345.870 4.773 0 40 EJAB Cc1ccccc1NC(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1 23680203 DXOQEKKRPUAURL-UHFFFAOYSA-N 349.434 4.740 0 40 EJAB CSc1ccccc1C(=O)N1CC[C@@H](C)Sc2ccccc21 24584948 CINJWMIUNUJVEN-CYBMUJFWSA-N 329.490 4.940 0 40 EJAB O=C(NCc1cccnc1)c1sc2cccc(Cl)c2c1Cl 27980171 NDTBZZXJUZWMGP-UHFFFAOYSA-N 337.231 4.533 0 40 EJAB CCOc1ccc(C(=O)COc2ccc(Cl)c3cccnc23)cc1 28047715 DOXSKTLATZYCNV-UHFFFAOYSA-N 341.794 4.549 0 40 EJAB CC[C@H](NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccccc1 36562818 OSEDPCOELJXYCB-IBGZPJMESA-N 325.452 4.630 0 40 EJAB C[C@@H](NC(=O)Nc1ccc(OC(F)F)c(Cl)c1)c1cccs1 40023909 YLYKURXIVOXKOM-MRVPVSSYSA-N 346.786 4.886 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)COc2ccc(C(C)C)cc2)cc1C 59351182 PJCDLNXPBMPGPX-QGZVFWFLSA-N 325.452 4.683 0 40 EJAB CC(C)Sc1ccccc1C(=O)N[C@@H]1CCCc2ccccc21 68956776 UYFBUHSHNHAPDD-GOSISDBHSA-N 325.477 4.995 0 40 EJAB CCCCN1CCCC[C@H]1c1cccnc1NC(=O)OC(C)(C)C 72214403 GGFXOXNCRGPDJF-INIZCTEOSA-N 333.476 4.756 0 40 EJAB CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2CC)cn1 72215099 GZJHLFLPPACLTO-WBVHZDCISA-N 347.503 4.778 0 40 EJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1cccc(C)c1 113951860 LHEQRJPQXOHRPH-OAQYLSRUSA-N 333.431 4.622 0 40 EJAB CC[Si](CC)(CC)c1cc(Br)c(F)c(F)c1F 196161297 YUHAPPORJMAGAH-UHFFFAOYSA-N 325.244 4.582 0 40 EJAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1cc2ccccc2o1 219948559 LODNPLAOMWXUCU-INIZCTEOSA-N 335.403 4.773 0 40 EJAB Cc1ccc(OCCNC(=O)c2ccc(-c3ccccc3)cc2)c(C)c1 223445816 QLSQVGOMGNQVRJ-UHFFFAOYSA-N 345.442 4.779 0 40 EJAB Cc1ccc(O[C@@H](C)C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1C 223471966 CKQDGGPLJBHKQM-OALUTQOASA-N 339.479 4.873 0 40 EJAB Cc1ccc(C[C@@H](Oc2ccccc2C(C)(C)C)C(=O)O)cc1C 225033674 XFXVCTHYDHMYAF-LJQANCHMSA-N 326.436 4.676 0 40 EJAB O=C(O)c1ccc(-c2ccc(Cl)cc2NC(=O)C2CCCCC2)o1 226351817 PRFTUAUZLCEPPK-UHFFFAOYSA-N 347.798 4.817 0 40 EJAB Cc1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@H]3[C@H]4CC[C@@H](C4)[C@@H]32)cc1 248098891 OMOHHANHPQZDFI-PKTBXOATSA-N 333.431 4.990 0 40 EJAB CC[C@H](C)n1cc(/C=C2/SC(=O)N(CC)C2=O)c2ccccc21 409104082 IPNIGMLHWQZNDH-SEJMYLSOSA-N 328.437 4.669 0 40 EJAB Cc1cc(C)c(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1C 1615547777 VGPKXIMWOKYPIU-UHFFFAOYSA-N 344.263 4.719 0 40 EJAB Fc1ccc(Cn2c(-c3cccnc3Cl)nc3ccccc32)cc1 1386011 LXXJEIVEAWIKAL-UHFFFAOYSA-N 337.785 4.939 0 40 EJAB c1ccc(OCCOCCOc2ccccc2-c2ccccc2)cc1 1596195 ZGAZNHIYXMONDK-UHFFFAOYSA-N 334.415 4.828 0 40 EJAB O=C1OC(=C(Cl)Cl)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]12 1653763 YLUVPNMIHGZZMH-SSHXOBKSSA-N 343.209 4.713 0 40 EJAB Cc1ccc(Nc2nnc(SC[C@@H]3CCCCO3)s2)cc1C 2655229 PBPDQDNLUAJKKA-AWEZNQCLSA-N 335.498 4.560 0 40 EJAB CC(=O)c1c(C)[nH]c(C(=O)Nc2ccccc2-c2ccccc2)c1C 2657593 QKDQYZBXSFOKKH-UHFFFAOYSA-N 332.403 4.753 0 40 EJAB COc1cc(OC)cc(C(=O)Nc2ccccc2Cc2ccccc2)c1 3281593 MRUYYXURZJZCTQ-UHFFFAOYSA-N 347.414 4.547 0 40 EJAB CN(Cc1cccc(Cl)c1)C(=O)COc1ccc2ccccc2c1 3403084 PZEHOHKPFIEREQ-UHFFFAOYSA-N 339.822 4.531 0 40 EJAB CC1=C(C(=O)N(C)CC23CC4CC(CC(C4)C2)C3)Cc2ccccc21 3962662 IGTOUPDQRSBFTJ-UHFFFAOYSA-N 335.491 4.691 0 40 EJAB Cc1cc(C)nc(SCc2ccc(C(=O)Nc3ccccc3)cc2)n1 4538333 PYRHYGSOCKQKPN-UHFFFAOYSA-N 349.459 4.638 0 40 EJAB COc1ccc(C(=O)Nc2ccc3c(c2)ncn3C2CCCCC2)cc1 5451380 CXXBNYIQZDRRBQ-UHFFFAOYSA-N 349.434 4.802 0 40 EJAB COc1ccc(OC)c(/C=C/C(=O)Oc2ccc(C(C)C)c(C)c2)c1 6277325 ZHTBZCJPIFWRBO-IZZDOVSWSA-N 340.419 4.754 0 40 EJAB CC[C@H](C)c1ccccc1NC(=O)[C@H](C)N(C)Cc1ccccc1F 6637454 ADGWYZAXVIOGRE-HOTGVXAUSA-N 342.458 4.798 0 40 EJAB Cc1csc(N(C(=O)Cc2c[nH]c3ccccc23)c2ccccc2)n1 8316565 VLVGUSDOAMGPPX-UHFFFAOYSA-N 347.443 4.840 0 40 EJAB COc1ccc(-c2[nH]c(=S)ncc2-c2ccc(Cl)cc2)c(O)c1 11869524 POAXOHCKDIFPKS-UHFFFAOYSA-N 344.823 4.841 0 40 EJAB O=c1oc(-c2ccccc2Cl)nc2cc(C(F)(F)F)ccc12 12619734 TZFMIGNYFXFLHB-UHFFFAOYSA-N 325.673 4.527 0 40 EJAB O=C(O)c1ccc(Cl)c(NC(=O)c2ccc(Cl)c(Cl)c2)c1 13168092 VVPIAIUCTVJAQN-UHFFFAOYSA-N 344.581 4.597 0 40 EJAB CN(Cc1cccc(F)c1)C(=O)CCC(=O)c1ccc2ccccc2c1 14227407 VVHRWZJSYIXFRG-UHFFFAOYSA-N 349.405 4.600 0 40 EJAB Cc1ccc([C@H](C)NC(=O)[C@H](C)Oc2cccc(C)c2C)c(C)c1 20460942 LCKPVFJFUZIXGY-ROUUACIJSA-N 325.452 4.565 0 40 EJAB COc1ccc(CN[C@H](C)c2ccc(Cl)cc2Cl)cc1O 21046606 KOPGMWJVWGYRNR-SNVBAGLBSA-N 326.223 4.558 0 40 EJAB C[C@H](NCc1ccc(-c2ccc(Cl)cc2)o1)[C@@H](O)c1ccccc1 22076541 OGFNMONHJWTTDB-VBKZILBWSA-N 341.838 4.812 0 40 EJAB Fc1cc(CN(Cc2ccco2)Cc2ccco2)c2ncccc2c1 25928386 LVDXKDAQRMSNPF-UHFFFAOYSA-N 336.366 4.762 0 40 EJAB COc1ccc2c(c1)C[C@@H](C)C1=C2CC[C@]2(C)C1=CC[C@@H]2OC(C)=O 37613788 VNZLWPUSAJFFMR-ZTHZXAOBSA-N 338.447 4.703 0 40 EJAB CC(C)(C)c1ccc(NC(=O)N2CCC[C@H](C(F)(F)F)C2)cc1 40096430 XWKHAIKIEFOFQM-ZDUSSCGKSA-N 328.378 4.790 0 40 EJAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCCc1ccccc1 44886463 WTRQTRDJJHPZGQ-SFHVURJKSA-N 347.911 4.960 0 40 EJAB Cc1nc(-c2ccc(CNC(=O)c3c(C)oc(C)c3C)cc2)cs1 58051921 UTBYLYCARBGFNI-UHFFFAOYSA-N 340.448 4.567 0 40 EJAB O=C(Nc1ccc2nc(-c3cccc(Cl)c3)oc2c1)C(F)(F)F 62059977 SKVMFAQWDVXUHC-UHFFFAOYSA-N 340.688 4.649 0 40 EJAB Cc1cc(C)c2nc(-c3ccc(Br)c(N)c3)sc2c1 73635434 PMJNLZXMRGGXIT-UHFFFAOYSA-N 333.254 4.925 0 40 EJAB Cc1cc(C)n(CCCNc2cc(C(F)(F)F)nc3ccccc23)n1 89594192 PCKSORWAVWQKTA-UHFFFAOYSA-N 348.372 4.569 0 40 EJAB CC[C@H](Oc1ccccc1)C(=O)N[C@H](CC(C)C)c1ccccc1 222863978 VZDMSPTZURDHOB-UXHICEINSA-N 325.452 4.748 0 40 EJAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCSC1CCCC1 223009603 AAOIAZPXMAOCGN-HNNXBMFYSA-N 349.540 4.543 0 40 EJAB Cc1cc(C)c([C@@H](C)NC(=O)[C@H](C)Oc2ccccc2Cl)cc1C 223454350 XCRLEEZVASBHOG-CVEARBPZSA-N 345.870 4.910 0 40 EJAB Cc1cc(C)c([C@H](C)NC(=O)[C@H](C)Oc2ccccc2Cl)cc1C 223454404 XCRLEEZVASBHOG-HOTGVXAUSA-N 345.870 4.910 0 40 EJAB CC[C@H](Oc1ccccc1F)C(=O)N[C@@H](C)c1cc(C)c(C)cc1C 223472920 FFMGAHHOIMZGLY-LPHOPBHVSA-N 343.442 4.786 0 40 EJAB Cc1ccccc1OC[C@@H](C)NC(=S)Nc1ccc(C(C)C)cc1 225634406 LACSCCXKDYMRQL-MRXNPFEDSA-N 342.508 4.872 0 40 EJAB CCCO[C@](C)(CC)C(=O)Nc1ccc(OC2CCCC2)c(C)c1 225731998 HQIOQFMWCLNPQZ-HXUWFJFHSA-N 333.472 4.850 0 40 EJAB C[C@@H](Cc1cc2ccccc2o1)NC(=O)CCc1cccc(Cl)c1 245015244 LSWCOBRJCDIWAM-AWEZNQCLSA-N 341.838 4.766 0 40 EJAB COc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccc(C(C)C)cc1 408700630 JDIWEAIDXMXWFJ-UHFFFAOYSA-N 347.480 4.743 0 40 EJAB Cc1nc2cc(C(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)ccc2s1 408976964 HGSBITWEXHETMZ-KUHUBIRLSA-N 328.481 4.646 0 40 EJAB COc1ccc(-c2cccc(C(F)F)c2F)cc1C1(C(=O)O)CC1 1615059261 YKDVWVKYOGXPBA-UHFFFAOYSA-N 336.309 4.555 0 40 EJAB CC[C@@H](C)c1ccc(OCC(=O)Nc2nc3ccccc3s2)cc1 505734 FNBAZNOYFPXBNG-CYBMUJFWSA-N 340.448 4.827 0 40 EJAB Cc1oc2c(c1C)c1c(c3oc(=O)c4c(c32)CCC4)CCC(C)(C)O1 2121201 XLJOPKOTVNARCL-UHFFFAOYSA-N 338.403 4.748 0 40 EJAB biogenic CC(=O)O[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 3132461 ILCTUFVQFCIIDS-BLLPDLTASA-N 332.484 4.530 0 40 EJAB Cc1cc2oc(=O)cc(CN(C)C3CCCCC3)c2cc1C(C)C 3348241 IZGGGCZXPUGMHH-UHFFFAOYSA-N 327.468 4.989 0 40 EJAB Cc1nc(C)c(-c2ccc(SCc3ccccc3F)nn2)s1 4358303 GLLCDGFKTKAHBI-UHFFFAOYSA-N 331.441 4.648 0 40 EJAB O=C(CCSc1ccc(F)cc1)Nc1nc2ccccc2s1 4496808 LJUQJGIECMNRJZ-UHFFFAOYSA-N 332.425 4.556 0 40 EJAB Fc1ccc(Cc2cn3cc(-c4ccc(F)cc4)nc3s2)cc1 5020481 ZXZODLBTJRFEBY-UHFFFAOYSA-N 326.371 4.932 0 40 EJAB Cc1ccc(OCC(=O)N[C@@H](C)c2ccccc2)c(C(C)(C)C)c1 5542101 BCLSRWBWZDROLT-INIZCTEOSA-N 325.452 4.549 0 40 EJAB O=C(O)c1ccccc1[C@@H]1Nc2ccc(Cl)cc2[C@H]2C=CC[C@@H]21 6222482 UAVSZHDACVUPQD-ZJNRKIDTSA-N 325.795 4.865 0 40 EJAB Cc1cc2oc(=O)cc(CN(C)Cc3ccccc3Cl)c2cc1C 6625476 YHNGYYODWMJMTB-UHFFFAOYSA-N 341.838 4.695 0 40 EJAB c1ccc(N[C@@H](c2ccccc2)c2nnc(-c3ccccc3)o2)cc1 7504092 GRUMEWSFCAJBKO-IBGZPJMESA-N 327.387 4.938 0 40 EJAB Cc1cc(Cl)ccc1NC(=O)c1ccc(N2CCCCC2)cc1 7504687 HWQVAZAODGWHJB-UHFFFAOYSA-N 328.843 4.891 0 40 EJAB Cc1nc(Nc2ccc(Oc3ccccc3)cc2)sc1C(=O)O 8024661 WJXHSCMCRCLBNQ-UHFFFAOYSA-N 326.377 4.686 0 40 EJAB CCc1noc(C)c1C(=O)Nc1ccccc1Oc1cccc(C)c1 8395125 OHJISQZBRJKZLP-UHFFFAOYSA-N 336.391 4.898 0 40 EJAB O=C(CC1CCCC1)Nc1nc(-c2c[nH]c3ccccc23)cs1 9724310 QXBJKLPKSMEOHV-UHFFFAOYSA-N 325.437 4.810 0 40 EJAB C[C@@H](CN1C[C@@H](c2cc[nH]n2)[C@H](c2ccc(F)cc2)C1)c1ccccc1 12129023 DOQOMEKCWYPGBU-ORYQWCPZSA-N 349.453 4.536 0 40 EJAB C[C@H]1CC2=C(C[C@H]1[C@@H]1OC[C@@H](CN3CCCCC3)O1)C(C)(C)CCC2 12556113 GWNYATQURCVOGA-HKJQZYRSSA-N 347.543 4.767 0 40 EJAB CC(C)(C)c1ccc(O[C@H](Cc2ccc(Cl)cc2)C(=O)O)cc1 13604746 OAPTZRIJRSUHQN-QGZVFWFLSA-N 332.827 4.712 0 40 EJAB C[C@@H]1CCc2[nH]c3ccc(C(=O)Nc4ccc(F)cc4F)cc3c2C1 15564144 BWRSCSXMOFIMKD-LLVKDONJSA-N 340.373 4.823 0 40 EJAB CCCCCCSc1nc(=O)n(-c2ccc(C)cc2)c2c1CCC2 15840429 ZUUYIOYNRWHNTQ-UHFFFAOYSA-N 342.508 4.702 0 40 EJAB CN(C(=O)c1cc(-c2ccccn2)nc2ccccc12)C1CCCCC1 16740415 OMVUYACYZMPZNZ-UHFFFAOYSA-N 345.446 4.702 0 40 EJAB COc1ccc(CN[C@H](C)c2ccc(Cl)c(Cl)c2)cc1O 21021045 GZBFVTXYOMABGN-SNVBAGLBSA-N 326.223 4.558 0 40 EJAB Cc1cc(C(=O)CCC(=O)Nc2cccc3cccnc23)c(C)s1 21552506 BKSRVXNYCAMCKZ-UHFFFAOYSA-N 338.432 4.515 0 40 EJAB Brc1ccccc1-c1csc(Nc2ccccn2)n1 23625465 UCIPIQNTDZCSHY-UHFFFAOYSA-N 332.226 4.711 0 40 EJAB CCN(C(=O)c1csc(-c2ccc(C)o2)n1)c1ccccc1C 33165758 PLJAIVWMBXNRHV-UHFFFAOYSA-N 326.421 4.687 0 40 EJAB COc1ccccc1Nc1c(-c2cccc(O)c2)nc2cccc(C)n12 35615981 NTWPDLDQCQDFDD-UHFFFAOYSA-N 345.402 4.768 0 40 EJAB Cc1ccc(C)c(C(=O)CSc2nnc(C3CCCCC3)o2)c1 40159057 CNNOHONRDACRQL-UHFFFAOYSA-N 330.453 4.709 0 40 EJAB CC(C)(C)c1ccc(OCCC2CCNCC2)c(Br)c1 42770547 KEVUUGVAHRRPIG-UHFFFAOYSA-N 340.305 4.515 0 40 EJAB COc1cc(Cl)cc2cc(/C=C/C(=O)Nc3ccccc3)oc12 67339974 HIPLBRCHXDCFAJ-BQYQJAHWSA-N 327.767 4.747 0 40 EJAB Brc1ncccc1[C@@H]1CCCCN1Cc1ccccc1 72211636 MITUYOFDPFMEEL-INIZCTEOSA-N 331.257 4.571 0 40 EJAB CCCOc1ccc(C(=O)Nc2cc(Cl)c(N)cc2Cl)cc1 72229472 JFAUQRPDFFSUTD-UHFFFAOYSA-N 339.222 4.617 0 40 EJAB C[C@@H](Nc1nc(-c2ccsc2)nc2ccccc12)c1cccnc1 72672909 MUAWUYBOBMUGQO-CYBMUJFWSA-N 332.432 4.926 0 40 EJAB C[C@H](N[C@H](c1ccccc1)c1ccoc1)c1nnc(-c2ccccc2)o1 75612313 JITLUYOGWWMRAP-HNAYVOBHSA-N 345.402 4.770 0 40 EJAB Cc1nc(Cc2ccccc2)sc1C(=O)N(C)CC1CCCCC1 78336433 VJJTUWSNPCVBIY-UHFFFAOYSA-N 342.508 4.695 0 40 EJAB Cc1cc(C)cc(NC(=O)CSCC(=O)c2ccc(Cl)cc2)c1 97000237 UXRUNLBAHXHRBL-UHFFFAOYSA-N 347.867 4.511 0 40 EJAB Cc1ccc(C23C[C@H]4C[C@@H](CC(CC(=O)N5CCCC5)(C4)C2)C3)cc1 100864044 JBGRADCLZSHDPF-NAMINWQUSA-N 337.507 4.846 0 40 EJAB O=C(c1cc2ccccc2s1)N1CCS[C@H](c2ccco2)CC1 219418038 LCHLWASZBYXVGQ-INIZCTEOSA-N 343.473 4.815 0 40 EJAB CCc1ccc(O[C@H](CC)C(=O)NCCSC2CCCCC2)cc1 222879809 GZZAWFBKRFWYGC-LJQANCHMSA-N 349.540 4.589 0 40 EJAB COc1ccc(CCC(=O)Nc2cc(Cl)ccc2Cl)cc1C 223846271 YXQGOPVBKUSXFR-UHFFFAOYSA-N 338.234 4.882 0 40 EJAB CCCC[C@@H](CC)CNC(=O)C1CCN(Cc2ccc(C)cc2)CC1 224530506 UEIUOSXNSMJRRL-LJQANCHMSA-N 344.543 4.540 0 40 EJAB CCNC(=O)c1ccc(OCC)c(CSc2ccc(Cl)cc2)c1 224669553 ARLNOPMBEQMRIJ-UHFFFAOYSA-N 349.883 4.781 0 40 EJAB Cc1ccc(CN(C)C(=O)CCc2c(Cl)cccc2Cl)cc1 225356591 YKSYAIPDNDJUKY-UHFFFAOYSA-N 336.262 4.893 0 40 EJAB CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OC2CCCC2)cc1 225687789 XRQUNOZMUDHFKI-FQEVSTJZSA-N 333.472 4.788 0 40 EJAB Cc1ccc2[nH]c(C3=CCN(Cc4ccccc4Cl)CC3)nc2c1 226250709 JVZRWJKKNFPRLP-UHFFFAOYSA-N 337.854 4.814 0 40 EJAB Cc1ccc(S[C@H](C)C(=O)NCCSC2CCCCC2)cc1 409169737 YYNVYGGZLOUOKK-OAHLLOKOSA-N 337.554 4.658 0 40 EJAB Cc1nc(-c2ccncc2)nc(N2CCC[C@@H]2c2cccs2)c1C 521532203 VCHSVGJOXVGSOL-MRXNPFEDSA-N 336.464 4.558 0 40 EJAB O=C(c1ccc2ccccc2c1)N1CCc2[nH]c3ccccc3c2C1 53074 GULUFSIPGIDWDQ-UHFFFAOYSA-N 326.399 4.520 0 40 EJAB biogenic CCc1cc2c(=O)c(-c3ccc4ccccc4n3)coc2cc1OC 178278 AMDZNFOEFFGMFO-UHFFFAOYSA-N 331.371 4.579 0 40 EJAB Clc1cccc(NCc2nnc(SCc3ccccc3)o2)c1 422453 NPMCKXGXRGFJRC-UHFFFAOYSA-N 331.828 4.627 0 40 EJAB Cc1ccc2c(CC(=O)Nc3ccc(Br)cc3)coc2c1 510340 DKYUPBFDPGQZMR-UHFFFAOYSA-N 344.208 4.685 0 40 EJAB Cn1nc(-c2ccccc2)c(C=O)c1Sc1ccccc1Cl 1388754 PRDGDACLIUJNAB-UHFFFAOYSA-N 328.824 4.704 0 40 EJAB CC[C@H]1CCCCN1C(=O)c1cc(Br)c(C)c(C)c1C 1448386 MJDPIJBCDZQBDY-AWEZNQCLSA-N 338.289 4.779 0 40 EJAB O=C(c1ccc(CN2CC=CC2)cc1)c1cc(Cl)ccc1Cl 2514919 ZFJYXOIBQKPAFO-UHFFFAOYSA-N 332.230 4.596 0 40 EJAB Cc1ccc(NC(=S)N2CCn3cccc3[C@H]2c2ccccc2)cc1 4059413 KCWGTENJSCSAJW-HXUWFJFHSA-N 347.487 4.599 0 40 EJAB Cc1ccc(NC(=O)[C@H](C)Sc2nc(C)c(C)n2CC(C)C)cc1 5152020 PCOBXVYIXPJHDK-INIZCTEOSA-N 345.512 4.584 0 40 EJAB CSc1ccc2nc(NC(=O)c3ccc(Cl)s3)sc2c1 5299117 HUJABIRJYPMUIV-UHFFFAOYSA-N 340.882 4.985 0 40 EJAB Cc1cccc(C)c1-n1nnnc1SCc1cccc2ccccc12 5391529 UWOQQHKUGRQSNW-UHFFFAOYSA-N 346.459 4.725 0 40 EJAB C[C@@H](Sc1ccccn1)C(=O)Nc1ccccc1-c1ccccc1 5622362 YOUSSJCHCYPPJR-OAHLLOKOSA-N 334.444 4.868 0 40 EJAB O=C(CNc1ccccc1Oc1ccccc1)Nc1ccc(F)cc1 6250098 KXSRGQMWZFJAPN-UHFFFAOYSA-N 336.366 4.669 0 40 EJAB CCN(CC)CCn1nc(-c2ccccc2)c2cc(Cl)ccc21 8569631 NSVBACTXGDMKRJ-UHFFFAOYSA-N 327.859 4.699 0 40 EJAB C[C@@H](NC(=O)NCc1cccc(Cl)c1)c1cc2ccccc2o1 9710564 DOSHTXDBYCHISZ-GFCCVEGCSA-N 328.799 4.647 0 40 EJAB COc1cccc2c1N(C(=O)c1ccc(F)cc1)C(C)(C)C=C2C 10157729 PAULXOIFSPIBAC-UHFFFAOYSA-N 325.383 4.677 0 40 EJAB CCOc1ccc([C@H](C)NC(=O)c2ccc(C(F)(F)F)cc2)cc1 10977872 HIDOLAFXAJRLNY-LBPRGKRZSA-N 337.341 4.595 0 40 EJAB Cc1ccc(C)c2sc(NC(=O)COc3ccccc3Cl)nc12 14258017 ZHTGLNKZDUSEGI-UHFFFAOYSA-N 346.839 4.584 0 40 EJAB CCOc1ccccc1NC(=O)C1=Cc2cc(Cl)ccc2OC=C1 15838540 HJNZPRUUXLQPCJ-UHFFFAOYSA-N 341.794 4.667 0 40 EJAB COc1cc(CO)cc(Cl)c1OCc1ccc(Cl)cc1Cl 17072310 KXMLJRVLHCSSMP-UHFFFAOYSA-N 347.625 4.727 0 40 EJAB CCCC[C@H](CC)CN1CN(C[C@H](CC)CCCC)CC(C)(N)C1 19318917 DTOUUUZOYKYHEP-WCRBZPEASA-N 339.612 4.712 0 40 EJAB world O=C(Nc1ccc(F)cc1Br)c1cc2ccccc2o1 20430197 GNWOYPLOYLWYSV-UHFFFAOYSA-N 334.144 4.587 0 40 EJAB CC(C)Cc1ccc(-c2cnc(CCC(=O)N[C@@H](C)C(C)C)o2)cc1 22316304 XBQWFSXFUGCZDU-INIZCTEOSA-N 342.483 4.633 0 40 EJAB COc1ccc(NC(=O)c2cc(-c3ccc(C)cc3)on2)cc1Cl 27580978 CVTSFSYCQXAUEL-UHFFFAOYSA-N 342.782 4.564 0 40 EJAB O=C(NC1CCCCCCC1)N[C@@H](c1ccccc1)c1ccccn1 29722790 PVQMYHADQVMWPA-FQEVSTJZSA-N 337.467 4.583 0 40 EJAB COc1ccc(NC(=O)c2cccc(OCc3cccs3)c2)cc1 32644308 XRHYTFONHMXUDT-UHFFFAOYSA-N 339.416 4.588 0 40 EJAB CCc1cc(C(=O)NCC2(N3CCCCC3)CCCCC2)sc1C 33023419 YLXZNXWPSYOLDK-UHFFFAOYSA-N 348.556 4.538 0 40 EJAB CC[C@H](C(=O)N[C@H](C)c1cccc(Br)c1)c1ccccc1 36395559 HYCZMFDGGFBQJZ-DYVFJYSZSA-N 346.268 4.820 0 40 EJAB CCCC[C@@H](CC)CN1C(=O)c2[nH]nc(C)c2[C@@H]1c1ccccc1F 36617828 HDMLENWBXXIRFQ-KUHUBIRLSA-N 343.446 4.619 0 40 EJAB CC[C@@H](NC(=S)Nc1cccc(OC)c1)c1ccc(C)cc1C 39974142 VHCSHHNNHKKTGO-GOSISDBHSA-N 328.481 4.750 0 40 EJAB Cc1ccc(C)c(NC(=S)NCc2cccc(OC(C)C)c2)c1 44239669 DUYJSKQVDCPQSF-UHFFFAOYSA-N 328.481 4.577 0 40 EJAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)c1 58969900 LDGNQYMJWGFWJL-JKSUJKDBSA-N 343.442 4.902 0 40 EJAB C[C@H](c1cc2ccccc2o1)N(C)C(=O)Cc1cn(C)c2ccccc12 68236787 TXYZSXILJMURHZ-OAHLLOKOSA-N 346.430 4.687 0 40 EJAB COc1ccc(NC(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)cc1 80344376 QYFQDLONUPANAG-JKSUJKDBSA-N 336.218 4.744 0 40 EJAB Cc1cc([C@@H](O)c2ccccc2Br)cc(C)c1Cl 95730148 WSCLBKOYDYSTHS-OAHLLOKOSA-N 325.633 4.801 0 40 EJAB C[C@H](NC(=O)c1cc(-c2ccc(F)cc2)on1)c1ccc(Cl)cc1 224069635 WJDLBUNEAHQUND-NSHDSACASA-N 344.773 4.625 0 40 EJAB CCCCOCc1cc(C(=O)N[C@H](C)c2ccccc2)ccc1OC 224434558 CMBPUGWZXSZOHC-MRXNPFEDSA-N 341.451 4.503 0 40 EJAB CC(C)(C)SCCNC(=O)CCc1c(Cl)cccc1Cl 225348986 RZVHORDOROKGAF-UHFFFAOYSA-N 334.312 4.574 0 40 EJAB O=C(CCc1ccc(Cl)cc1Cl)NCCCc1ccccc1 225372536 CSEFNVXFQJZHBR-UHFFFAOYSA-N 336.262 4.675 0 40 EJAB O=C(NCc1cncc(-c2cccs2)c1)c1cccc2ccccc12 225666323 KWXNGTKQBCKONB-UHFFFAOYSA-N 344.439 4.893 0 40 EJAB COc1cccc(NC(=O)N[C@@H](c2ccccc2)c2ccccc2C)c1 225761731 SXFYNZOAMNJFDK-NRFANRHFSA-N 346.430 4.915 0 40 EJAB CCc1ccc(-c2nc3ccc(N(C)C(=O)C(F)(F)F)cc3o2)cc1 226269911 IYWXWDYPOPIZCK-UHFFFAOYSA-N 348.324 4.582 0 40 EJAB CCN(C(=O)c1ccc(-c2ccc(N)cc2Cl)o1)c1ccccc1 226303934 KMSDXUXFCOGMSJ-UHFFFAOYSA-N 340.810 4.849 0 40 EJAB Cc1cccc2c1CC[C@H]2NC(=O)N1CCCCC[C@@H]1c1ccncc1 591627986 LZOSQDNQOPAYNM-NHCUHLMSSA-N 349.478 4.704 0 40 EJAB O=C(N[C@H]1CCC(F)(F)C1)[C@H](c1ccccc1)c1ccc(Cl)cc1 612490024 BAPKSJAIOVKUOG-DLBZAZTESA-N 349.808 4.776 0 40 EJAB CCOc1ccc(NC(=O)c2csc(-c3ccc(C)o3)n2)c(C)c1 614989152 PSFLPRZQZGNNEI-UHFFFAOYSA-N 342.420 4.671 0 40 EJAB CCC1(CC)CCN(C(=O)c2cnc(OC(C)C)c(Cl)c2)CC1 622523178 YKMWTICFZPDZNU-UHFFFAOYSA-N 338.879 4.565 0 40 EJAB Cc1cc(NC(=O)N2CCc3ccc(F)c(F)c3C2)ccc1Cl 1625952070 GQCDDFBGUFIYEG-UHFFFAOYSA-N 336.769 4.517 0 40 EJAB CC(=O)O[C@@H]1c2cc(C)ccc2N[C@@H](c2ccc(F)cc2)C1(C)C 172757 VYOMGGLYTZAYIH-RBUKOAKNSA-N 327.399 4.931 0 40 EJAB COc1ccc(Cc2nc3ccccc3n2Cc2cccc(C)c2)cc1 572411 WREMGDHEPQUULK-UHFFFAOYSA-N 342.442 4.992 0 40 EJAB COc1ccccc1[C@H]1Nc2ccc(C)cc2[C@H](OC(C)=O)C1(C)C 806062 WTDLANROZLFVCV-UXHICEINSA-N 339.435 4.801 0 40 EJAB CC(C)(C)c1ccc(CNC(=O)Cc2cccc3ccccc23)cc1 3315121 FZNBHHTZNMISPA-UHFFFAOYSA-N 331.459 4.996 0 40 EJAB FC(F)(F)c1cnc2c(-c3ccc(Cl)cc3Cl)n[nH]c2c1 4002806 BBEYYMUOXVADDH-UHFFFAOYSA-N 332.112 4.951 0 40 EJAB CC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1C)CCCCC2 4150891 XCMQSXZRFWXPMT-UHFFFAOYSA-N 342.464 4.536 0 40 EJAB Cc1cc(=O)oc2c1c(C)nn2-c1c(Cl)cc(Cl)cc1Cl 4544913 WYGRRFMOKRPREN-UHFFFAOYSA-N 343.597 4.556 0 40 EJAB Cc1ccc(-c2nc(C(=O)NC3CC3)cc3c2[nH]c2ccccc23)cc1 6087993 FEVZGMXDFPQCGX-UHFFFAOYSA-N 341.414 4.584 0 40 EJAB biogenic COc1cccc(/C=C/C(=O)Nc2ccccc2C(C)(C)C)c1OC 6232490 YTXLJWOVWYZXAU-BUHFOSPRSA-N 339.435 4.653 0 40 EJAB O=C(CSc1ccccc1Cl)NC12CC3CC(CC(C3)C1)C2 6352017 BVXZLVLEHAXOII-UHFFFAOYSA-N 335.900 4.517 0 40 EJAB CCCOc1cccc(C(=O)Nc2ccccc2N2CCCCC2)c1 6569875 RWBNGRAXMNSOGR-UHFFFAOYSA-N 338.451 4.718 0 40 EJAB CCc1cc2cc(C(=O)Nc3ccc(C(=O)OC)cc3)sc2s1 8199769 UWBAYSCZSALHIZ-UHFFFAOYSA-N 345.445 4.564 0 40 EJAB Cc1cc(-n2c(C)cc(CN[C@@H](C)c3ccc(F)c(F)c3)c2C)no1 9366322 WMTOCMHLYAHUEM-ZDUSSCGKSA-N 345.393 4.520 0 40 EJAB Cc1ccc(C(=O)Nc2sc(N)nc2-c2ccc(Cl)cc2)cc1 9422527 TWHLFRTUJPXLEL-UHFFFAOYSA-N 343.839 4.606 0 40 EJAB Cc1cc(OCCSc2nc3ccccc3n2C)ccc1Cl 12062269 WFDPOQLEPCFMGY-UHFFFAOYSA-N 332.856 4.706 0 40 EJAB Cc1ccc(C)c([C@H](C)NC(=O)C2(c3ccc(Cl)cc3)CC2)c1 12924776 RSBUXBMOQBJSFG-HNNXBMFYSA-N 327.855 4.866 0 40 EJAB CCCCc1ccc(CC(=O)Nc2cc3c(cc2Cl)OCO3)cc1 14201117 QIBKDDHTJMDBEW-UHFFFAOYSA-N 345.826 4.593 0 40 EJAB O=C1S/C(=C/c2ccccc2Cl)C(=O)N1Cc1ccccc1 15019182 NPIXDCQKFNNIPZ-XNTDXEJSSA-N 329.808 4.577 0 40 EJAB COc1ccc(N[C@@H](C)c2nnc(-c3ccccc3)o2)cc1Cl 15471469 PXSXEHZRGADEDF-NSHDSACASA-N 329.787 4.572 0 40 EJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccccc1C 20105594 QJRSBYDAYPTJKK-NRFANRHFSA-N 333.431 4.622 0 40 EJAB C[C@H](NCc1ccc(-c2cccc(Cl)c2)o1)[C@H](O)c1ccccc1 22076595 VZRPVBFYVPJKMO-XOBRGWDASA-N 341.838 4.812 0 40 EJAB COc1ccc(NC(=O)Nc2cccc(Cl)c2)cc1OC(F)F 25453642 OBUPRDKCYDWNHT-UHFFFAOYSA-N 342.729 4.594 0 40 EJAB CCCCc1ccc(NC(=O)[C@H](CC)Oc2ccc(F)cc2)cc1 30872774 VTUIIOYVNFIYPM-IBGZPJMESA-N 329.415 4.964 0 40 EJAB O=c1ccc2ccc(OCc3ccc(Cl)c4cccnc34)cc2o1 31645729 WBEIJTMASPDVPJ-UHFFFAOYSA-N 337.762 4.574 0 40 EJAB Cn1cccc1[C@H]1CCCCCN1C(=O)c1ccc(F)cc1Cl 32903503 NYXPJWBYIURYPC-QGZVFWFLSA-N 334.822 4.575 0 40 EJAB CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@H](C)c1ccc(C)cc1 38771997 LXHSVDLGQJSAMR-RHSMWYFYSA-N 331.843 4.683 0 40 EJAB Clc1ccc(-c2nnc(CN3CCC[C@H]3c3ccsc3)o2)cc1 52803277 YHWCFVCZAGOMCN-HNNXBMFYSA-N 345.855 4.789 0 40 EJAB c1ccc(Cc2nnc(CN[C@@H](c3ccccc3)C3CCCC3)o2)cc1 69628765 NFAYKFJUEKNKRB-QFIPXVFZSA-N 347.462 4.682 0 40 EJAB CC(=O)[C@H](C)CCCCC(=O)N[C@H](C)c1ccc2ccccc2c1 89895372 QQUVDOAUSBRFKP-HZPDHXFCSA-N 325.452 4.803 0 40 EJAB CC(C)c1ccc(NC(=O)N2CCC[C@@H]([C@H](C)O)C2)c(C(C)C)c1 96483244 MGVSNMHKUYDIAF-DOTOQJQBSA-N 332.488 4.558 0 40 EJAB CCN(C)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2 103076548 ZPNDQJCZKARABN-PFONDFGASA-N 346.430 4.797 0 40 EJAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H]1CCCc2ccccc21 224634721 JWGIEWOEZNFLSD-ZHRRBRCNSA-N 349.474 4.527 0 40 EJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H](C)c1ccccc1 225155558 NRGNZZIXUFYKDA-KKSFZXQISA-N 337.463 4.600 0 40 EJAB CC(C)OC(=O)c1ccc(Nc2ccc(Cl)c(Cl)c2)c(N)c1 225428127 RSHPTLKFZLYJBK-UHFFFAOYSA-N 339.222 4.884 0 40 EJAB S=C(NCCCc1ccco1)Nc1ccc(OC2CCCC2)cc1 225805564 DZEJYADZWWUDTL-UHFFFAOYSA-N 344.480 4.520 0 40 EJAB COc1cccc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)oc12 408570730 XWTKZJDMDZVSGO-UHFFFAOYSA-N 335.281 4.713 0 40 EJAB COc1ccc(Oc2ccc(NC(=S)NC(C)(C)C)cc2)cc1 408585826 JVJOEAKIIKPZHG-UHFFFAOYSA-N 330.453 4.572 0 40 EJAB CC(C)COc1ccc(/C=C2/Sc3ccccc3NC2=O)cc1 409106994 PNSGSGVDRYZVDO-WOJGMQOQSA-N 325.433 4.807 0 40 EJAB O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)c1ccccc1S 536149 OPXKUOLMWWCFTH-HXUWFJFHSA-N 348.423 4.756 0 40 EJAB Cc1cc(C)c2oc(-c3cccc(Br)c3)cc(=O)c2c1 935989 RWAGOJKEEVOJQJ-UHFFFAOYSA-N 329.193 4.839 0 40 EJAB CN(C)c1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)cc1 1498015 AKWQUGWCYSKPBC-FYWRMAATSA-N 332.403 4.665 0 40 EJAB Nc1ccc(-c2csc(-c3ccc(Br)cc3)n2)cc1 1563994 RZAYFKRUPOWFHT-UHFFFAOYSA-N 331.238 4.822 0 40 EJAB O=C(CCc1cccc(Br)c1)c1cc(F)c(F)c(F)c1 2516739 KOACLFHPFYUJBO-UHFFFAOYSA-N 343.142 4.682 0 40 EJAB Cc1ccc(-c2nn(-c3ccccc3)cc2NC(=O)c2ccco2)cc1 2647751 DYJSRJQIKXOZHU-UHFFFAOYSA-N 343.386 4.693 0 40 EJAB Clc1ccc(-c2nc3ccccc3n2OCc2ccccc2)cc1 3052854 NTCWGIMHVJNCIO-UHFFFAOYSA-N 334.806 4.986 0 40 EJAB Cn1c(-c2ccc(F)cc2)cn2cc(-c3cccc(Cl)c3)nc12 4678321 VKPRWSAZUNFTCL-UHFFFAOYSA-N 325.774 4.799 0 40 EJAB Cc1ccc(Cl)cc1NC(=O)C[C@H](C)n1nc(C)c(Cl)c1C 4937340 OYRCHBOBELSKNG-JTQLQIEISA-N 340.254 4.705 0 40 EJAB Cc1ccccc1CC(=O)Nc1cccc(/C=C/c2ccccn2)c1 6822559 JDLQWXJZSDWDHX-OUKQBFOZSA-N 328.415 4.742 0 40 EJAB CCCOc1ccc(Br)cc1CNc1ccc(F)cc1 6941793 JVPFKDOEPYZVNY-UHFFFAOYSA-N 338.220 4.989 0 40 EJAB CN(Cc1nc2ccccc2s1)Cc1nc2ccccc2s1 7689220 LYVWYXXVYCECJE-UHFFFAOYSA-N 325.462 4.538 0 40 EJAB C[C@@H]1CCCN(c2ncnc3cc(-c4ccc(F)cc4)sc23)C1 7987979 VKKHTTOUXUKWSK-GFCCVEGCSA-N 327.428 4.734 0 40 EJAB O=C(NCCCc1ccccc1)/C(=C/c1ccco1)c1ccccc1 10110174 OTPJDZXFGCMHSL-HEHNFIMWSA-N 331.415 4.569 0 40 EJAB CC[C@H](C)c1ccc(N[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)cc1 11157473 HDHOEALXDLFSSP-VBKZILBWSA-N 340.442 4.771 0 40 EJAB Cc1ccc([C@@H](NC(=O)c2ccc(F)c(F)c2)c2ccccc2)cc1 12686213 RDMTYJVNKFGZGG-FQEVSTJZSA-N 337.369 4.793 0 40 EJAB O=C(CSC(c1ccccc1)c1ccccc1)Nc1nccs1 14430021 DXTHVMULACTUCK-UHFFFAOYSA-N 340.473 4.604 0 40 EJAB CC1CCN(Cc2ccc(C(=O)Nc3ccccc3Cl)cc2)CC1 20036820 RVXSFUFTVUEJFQ-UHFFFAOYSA-N 342.870 4.824 0 40 EJAB CCc1ccccc1O[C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl 20110254 CHXOARIYPIAAFY-NSHDSACASA-N 338.234 4.962 0 40 EJAB Fc1ccc(Oc2nc(-c3ccncc3)nc3ccccc23)cc1F 24041313 NTNHGMZJOHISJY-UHFFFAOYSA-N 335.313 4.762 0 40 EJAB CCSc1ccccc1C(=O)NCCSc1ccc(C)cc1 25154217 VYBMXVKTUWKXIF-UHFFFAOYSA-N 331.506 4.629 0 40 EJAB O=C(O)C1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCCC1 38606961 ATJVRZUWIFGHBA-UHFFFAOYSA-N 326.236 4.621 0 40 EJAB Cn1cccc1[C@H]1CCCCCN1C(=O)c1ccc(Cl)cc1F 40047339 KOBYVJJXTYJSGN-QGZVFWFLSA-N 334.822 4.575 0 40 EJAB COc1ccc(Br)cc1NC(=O)c1ccc(C(C)C)cc1 48444605 CYIUAWCHBHTMCJ-UHFFFAOYSA-N 348.240 4.833 0 40 EJAB O=C(Nc1ccccc1)c1cccc(Oc2cnc3ccccc3n2)c1 58543632 RNFQCZOVEXGYSC-UHFFFAOYSA-N 341.370 4.674 0 40 EJAB C=Cc1ccc(CSc2nc3ccsc3c(=O)n2C2CC2)cc1 67259748 VBIHEKHBQQNOKL-UHFFFAOYSA-N 340.473 4.728 0 40 EJAB Cc1cnc(NC(=O)c2cc(OC(C)C)c3ccsc3c2)s1 72241220 MRMNLNUTHNRQLD-UHFFFAOYSA-N 332.450 4.706 0 40 EJAB Cc1ccc(C(=O)N(c2cccnc2)C(C)C)cc1Oc1ccncc1 72285401 ACLYRNHWIOQUCV-UHFFFAOYSA-N 347.418 4.633 0 40 EJAB Fc1ccc(-c2cccc([C@@H]3CCCN(Cc4ccccn4)C3)n2)cc1 72348922 JMPAYXRZELBZDR-GOSISDBHSA-N 347.437 4.662 0 40 EJAB O=C(Nc1ccc2[nH]c(C(F)F)nc2c1)N1CCC2(CCCCC2)C1 93352907 ISCOLBXXUYLZKA-UHFFFAOYSA-N 348.397 4.689 0 40 EJAB Cc1ccc(OC[C@H](C)NC(=O)c2ccccc2SC(C)C)cc1 219656591 KFHCHJCWZNXNLC-INIZCTEOSA-N 343.492 4.693 0 40 EJAB COc1cccc2cc(C(=O)N[C@@H](C)c3cc(C)c(C)cc3C)oc12 223437939 RAOCJRFUNAIGBL-HNNXBMFYSA-N 337.419 4.858 0 40 EJAB Cc1ccc(C)c(C(=O)Nc2ccc(Br)c(Cl)c2)c1 224211765 AGSWAUWHYXYQGW-UHFFFAOYSA-N 338.632 4.972 0 40 EJAB Cc1cccc([C@@H](NC(=S)Nc2cc(C)ccn2)c2ccccc2)c1 225701617 XHDFQAUWAKSHQF-FQEVSTJZSA-N 347.487 4.774 0 40 EJAB CC(C)CCc1ccc(NC(=O)c2cccc(Cn3ccnc3)c2)cc1 549098957 XAMRVZDSXLJADP-UHFFFAOYSA-N 347.462 4.772 0 40 EJAB O=C(COc1ccccc1)c1cc(OC(F)(F)F)ccc1Cl 575242829 KVAPFKCAMFZMPB-UHFFFAOYSA-N 330.689 4.500 0 40 EJAB Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)N2CCC2(C)C)cs1 579419126 DJMLSHLYEQTAGD-UHFFFAOYSA-N 346.471 4.546 0 40 EJAB COc1ccc(-c2nc(-c3nc4cc(C)ccc4n3C)cs2)cc1 613293958 ONRSGGHXQHEODG-UHFFFAOYSA-N 335.432 4.681 0 40 EJAB C[C@H]1Cc2nn(-c3ccccc3)c(-c3ccc(F)cc3)c2C(=O)[C@H]1C 106059 XJEHDQSJBHXWSJ-KBPBESRZSA-N 334.394 4.689 0 40 EJAB CCCC(=O)Nc1cc(-c2nc3cc(C)c(C)cc3o2)ccc1OC 514969 YLAMFDJNXYJECC-UHFFFAOYSA-N 338.407 4.859 0 40 EJAB Fc1ccc([C@H]2C[C@@H](c3cccc4ccccc34)n3ncnc3N2)cc1 803103 CVFMKIFBLUUWFW-UXHICEINSA-N 344.393 4.717 0 40 EJAB COc1cc(NCCCCCCNCC(C)C)c2nccc(C)c2c1 1568076 XZJMMJNKCBQIFY-UHFFFAOYSA-N 343.515 4.770 0 40 EJAB Cc1ccc(C(=O)c2cc3c([nH]c4ccccc43)c(C)c2C(=O)O)cc1 1580340 CSGGXKURPZGRHL-UHFFFAOYSA-N 343.382 4.867 0 40 EJAB CC[C@H](C)c1ccccc1OC[C@@H](C)OC(=O)Cc1ccccc1 1583815 FCAYWXFELFRLKO-DLBZAZTESA-N 326.436 4.753 0 40 EJAB O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1ccc2ccccc2n1 3400847 VYRDSZKRZUOUQH-UHFFFAOYSA-N 348.736 4.742 0 40 EJAB O=C(CCN1CC[C@@H](c2ccccc2)C1)c1cccc2ccccc12 4122112 NYFQBCCASKQTBR-HXUWFJFHSA-N 329.443 4.902 0 40 EJAB COc1ccc(-c2cn3cc(-c4cccc(Cl)c4)nc3n2C)cc1 4678391 GTZONYQUYYZWMM-UHFFFAOYSA-N 337.810 4.669 0 40 EJAB CCOc1cc(CNC2CC2)ccc1OCc1ccc(Cl)cc1 8254512 QDAYFHSGVWNZHV-UHFFFAOYSA-N 331.843 4.570 0 40 EJAB O=C(CCc1ncc(-c2ccccc2Cl)o1)NC1CCCCCC1 8772235 XNKHGIRQAPPNCC-UHFFFAOYSA-N 346.858 4.767 0 40 EJAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2ccc(C)cc2C)c1C 8851559 KUFHQLPGOJYLHZ-OAHLLOKOSA-N 329.465 4.814 0 40 EJAB CSc1ccc(-c2csc(NC(=O)c3cc(C)oc3C)n2)cc1 11422633 YAIUSHVIMADPMF-UHFFFAOYSA-N 344.461 4.994 0 40 EJAB CSc1ccc(NC(=O)c2csc(-c3cccs3)n2)cc1 12039743 PYDZHUKNXWVKRN-UHFFFAOYSA-N 332.475 4.846 0 40 EJAB Clc1ccc([C@@H]2[C@@H](NCC3=CCCOC3)[C@H]3CCCC[C@H]32)cc1 12337880 OEONADRMHBXMJH-FYQPLNBISA-N 331.887 4.549 0 40 EJAB CCc1ccc(NC(=O)CCc2c(C)c3ccc(C)cc3oc2=O)cc1 12770520 TZNBAFIYWQFUOI-UHFFFAOYSA-N 349.430 4.544 0 40 EJAB CC(=O)c1cccc(OCc2coc(-c3ccc(Cl)cc3)n2)c1 12940589 MPYQAXYRQKYZGO-UHFFFAOYSA-N 327.767 4.777 0 40 EJAB Cc1ccc2nc3c(cc2c1)CN(Cc1ccc(Cl)cc1)C(=O)O3 13227565 LWFXOOXLRHZKDZ-UHFFFAOYSA-N 338.794 4.711 0 40 EJAB CC(C)(C)c1ccc(O[C@@H](Cc2ccc(Cl)cc2)C(=O)O)cc1 13604745 OAPTZRIJRSUHQN-KRWDZBQOSA-N 332.827 4.712 0 40 EJAB O=C(c1cc2c(s1)-c1ccccc1CC2)N1CCc2ccccc21 14909090 VGSXNJHINIAYEC-UHFFFAOYSA-N 331.440 4.717 0 40 EJAB Cc1ccc(Nc2ncnc3c2cnn3-c2cc(Cl)ccc2C)cc1 17042515 YLWQEJWOZSRSGT-UHFFFAOYSA-N 349.825 4.829 0 40 EJAB O=C(Cc1cccc2ccccc12)N(Cc1ccccc1F)C1CC1 19296108 ZNUVVHGERNLTTM-UHFFFAOYSA-N 333.406 4.713 0 40 EJAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(OC(C)C)cc1 20488578 WDLQAGIUMPDHKV-QGZVFWFLSA-N 347.842 4.923 0 40 EJAB Cc1c(Cl)cccc1NC(=O)CCC(=O)c1ccc2c(c1)CCC2 23135097 XDSBIOGNYVTNGI-UHFFFAOYSA-N 341.838 4.739 0 40 EJAB Cc1ccc(C)c([C@H](C)NC(=O)[C@@H](C)Oc2cccc(Cl)c2)c1 38754898 MTHWGEIGOPSXBK-LSDHHAIUSA-N 331.843 4.602 0 40 EJAB C[C@@H](NC(=O)c1ccc(O)c(Cl)c1)c1cccc(C(F)(F)F)c1 40160046 NSSSCEKFRHTZKV-SECBINFHSA-N 343.732 4.555 0 40 EJAB CC(C)C[C@@H](C)N(C(=O)CC[C@@H]1CCCO1)c1ccc2[nH]ccc2c1 58179200 NSUGBXBZVOGISE-APWZRJJASA-N 342.483 4.895 0 40 EJAB CCOc1ccccc1CNC(=S)Nc1ccc(C(C)C)cc1 64893287 PMGLPGZOCQMBAV-UHFFFAOYSA-N 328.481 4.695 0 40 EJAB Cc1cccc(C(=O)Nc2ccc(N3CCc4sccc4C3)cc2)c1 65489373 VNBKAZZDWRFZKK-UHFFFAOYSA-N 348.471 4.872 0 40 EJAB O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccncc1F 78071563 HAYALUBOFAPIMC-UHFFFAOYSA-N 349.390 4.750 0 40 EJAB CC(C)(C)Oc1ccc(C(=O)c2c(F)c(F)c(F)c(F)c2F)cc1 95916073 DMFCLGXHVCMANX-UHFFFAOYSA-N 344.279 4.790 0 40 EJAB CC(C)(C)c1ccccc1OCC(=O)NCc1cccc2ccccc12 222891391 MDXNMDDHGSHIJS-UHFFFAOYSA-N 347.458 4.833 0 40 EJAB C[C@H](NC(=O)C1(c2ccccc2)CCCC1)c1ccc2c(c1)CCC2 223252939 ZUZISTRFMKTAGA-KRWDZBQOSA-N 333.475 4.865 0 40 EJAB CCOc1ccc(C(=O)N[C@@H](CC)c2ccc(C)cc2)cc1Cl 225772044 QVVDEDIDKTVXGJ-KRWDZBQOSA-N 331.843 4.928 0 40 EJAB Cc1ccc(-c2nnsc2C(=O)Nc2cccc(Cl)c2C)cc1 225774181 FRPJSTUMFZDPKP-UHFFFAOYSA-N 343.839 4.728 0 40 EJAB COc1cc(CNc2ccc(Cl)cc2Cl)cc(Cl)c1O 408610736 RXZCIHAZFJOCRB-UHFFFAOYSA-N 332.614 4.973 0 40 EJAB Cc1nc2ccc(NC(=O)c3ccc4ccccc4c3)cc2nc1C 408974334 FEKDQPCZCRWVBP-UHFFFAOYSA-N 327.387 4.652 0 40 EJAB Cc1nnc(SCc2ccccc2Cl)n1-c1ccc(F)cc1 409104078 DHQUSNNGNAUOTB-UHFFFAOYSA-N 333.819 4.661 0 40 EJAB CCOC1CC2(CCN(C[C@H](C)c3ccc(C(F)(F)F)cc3)C2)C1 512826038 BIDPPDUQVDHRDW-NNGSBXSVSA-N 341.417 4.700 0 40 EJAB Fc1cccc(OCCCN2CCCCC2)c1Oc1ccccc1 585266182 GGRHZPZTDPQXSY-UHFFFAOYSA-N 329.415 4.873 0 40 EJAB C[C@]12CC[C@@H]3[C@H](CC[C@@]4(C)C[C@@H]5O[C@@H]5C[C@]34C)[C@@H]1CCC21OCCO1 627261403 RCRKFBWQIMSUOE-GBKBKVFGSA-N 346.511 4.540 0 40 EJAB CCOc1ccc(NC(=O)C[C@H](C)Cc2cc(C)cc(C)c2)cc1 35494 SOTXQAFVNRHFML-QGZVFWFLSA-N 325.452 4.910 0 40 EJAB COc1cc(OC)cc(-c2nc(-c3ccccc3)c3ccccn23)c1 134586 LQYSIEYYRSVIKK-UHFFFAOYSA-N 330.387 4.686 0 40 EJAB C[C@H]1CCc2nc(NC(=O)c3cc(Cl)cc(Cl)c3)sc2C1 567766 RYUZUYVQFDRLAH-QMMMGPOBSA-N 341.263 4.827 0 40 EJAB COc1ccc(-c2cnn3cc(-c4cccc(Cl)c4)cnc23)cc1 1399470 GFILEMANYRSBIG-UHFFFAOYSA-N 335.794 4.725 0 40 EJAB CCCCCCC(=O)Nc1ncc(Cc2ccc(OC)cc2)s1 1750924 HFCDSOLZZPRHCM-UHFFFAOYSA-N 332.469 4.651 0 40 EJAB CCc1cc(=O)oc2c3c(ccc12)OCN(c1c(C)cc(C)cc1C)C3 2159126 ORXFHZJZBANLTF-UHFFFAOYSA-N 349.430 4.637 0 40 EJAB biogenic c1csc(-c2nnc(CSc3nc4ccccc4s3)o2)c1 3326753 GWVZCFLRCQSPMX-UHFFFAOYSA-N 331.447 4.700 0 40 EJAB Brc1ccc(Oc2ncnc3c2oc2ccccc23)cc1 3370151 WJUYSNBGGZVPKH-UHFFFAOYSA-N 341.164 4.931 0 40 EJAB O=C(O[C@@H](c1ccco1)c1nccc2ccccc12)c1ccccc1 4179003 CLORJVBYUNSLJF-FQEVSTJZSA-N 329.355 4.774 0 40 EJAB COC(=O)CSC(c1ccccc1)(c1ccccc1)c1ccccc1 4958386 MVUPACKEURZFOJ-UHFFFAOYSA-N 348.467 4.885 0 40 EJAB O=[S@](c1ccccc1)c1c(Cl)c(Cl)nc(Cl)c1Cl 5103427 FJERMPQCYPUHAT-SFHVURJKSA-N 341.046 4.862 0 40 EJAB Cc1occc1-c1nnc(S[C@H](C)c2ccccc2Cl)n1C 7236726 FIIFDAKSLXBWGR-LLVKDONJSA-N 333.844 4.890 0 40 EJAB O=C(OCc1cc(-c2ccccc2)on1)c1ccccc1C(F)(F)F 7886800 ZNXSVWLRXVQQIU-UHFFFAOYSA-N 347.292 4.717 0 40 EJAB CC(C)OCc1ccc(C(=O)N[C@H]2CCSc3ccccc32)cc1 8880368 ARRNWXRNIJUIGJ-SFHVURJKSA-N 341.476 4.579 0 40 EJAB Cc1ccc2c(c1)NC(=O)c1cc(NC(=O)c3ccccc3)ccc1O2 9135076 SZWPFYIRSIZINB-UHFFFAOYSA-N 344.370 4.605 0 40 EJAB CSCc1c(C(=O)Nc2nnc(C(C)C)s2)oc2ccccc12 9156161 XPYJSGIJNFEELQ-UHFFFAOYSA-N 347.465 4.523 0 40 EJAB FC(F)(F)c1cnc(Sc2nnc(-c3ccco3)o2)c(Cl)c1 9885582 HAPYPPJMBBZKPC-UHFFFAOYSA-N 347.705 4.548 0 40 EJAB CCCn1c(C)cc(-c2csc(NC(=O)c3occc3C)n2)c1C 10942516 LHZLSUUGSUILSG-UHFFFAOYSA-N 343.452 4.792 0 40 EJAB Cc1ccc(C(=O)CSc2nnc(-c3ccccc3Cl)o2)cc1 12177814 JCBOCOUCQSHWRQ-UHFFFAOYSA-N 344.823 4.673 0 40 EJAB Cc1cc2occ(CC(=O)NCCSc3ccccc3)c2cc1C 27132827 ITJQUDUNZHHAHL-UHFFFAOYSA-N 339.460 4.501 0 40 EJAB CCC(=O)c1ccc(OCc2noc(-c3ccc(Cl)cc3)n2)cc1 29311147 JYRQLUYWAFGNLA-UHFFFAOYSA-N 342.782 4.562 0 40 EJAB Cc1cs/c(=N\c2ccc(Cl)cc2Cl)n1C[C@@H]1CCCO1 32741519 DCEQLIISJXUGCY-ZNZSVTJWSA-N 343.279 4.576 0 40 EJAB O=C(NCc1cccs1)Nc1ccc(-c2nc3ccccc3o2)cc1 36709340 YXNLGDRAHABWSC-UHFFFAOYSA-N 349.415 4.878 0 40 EJAB Cc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccccc1-n1cccn1 40152282 XTXCETDHRKJZLJ-IBGZPJMESA-N 346.434 4.550 0 40 EJAB Cc1cccc(-c2nn3c(N4C[C@H](C)C[C@@H](C)C4)cc(C)nc3c2C)c1 40216808 IADMJONHLAAKAZ-HZPDHXFCSA-N 348.494 4.804 0 40 EJAB O=C(CCc1ccc(Cl)cc1)Nc1ccc(Br)cc1 40995102 GIGDYXSQNLNQMT-UHFFFAOYSA-N 338.632 4.674 0 40 EJAB NC(=O)c1ccc2oc(-c3cc(Cl)c(Cl)c(Cl)c3)nc2c1 45919929 UCOZWNHEXNRDLK-UHFFFAOYSA-N 341.581 4.554 0 40 EJAB C[C@H](NC(=S)NCc1cccs1)c1cccc2ccccc12 57767253 BXMSPGAIHINKME-ZDUSSCGKSA-N 326.490 4.627 0 40 EJAB CCCCN(C)C(=O)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 58169076 IBUQGVYDJZBNQN-UHFFFAOYSA-N 349.450 4.608 0 40 EJAB Cc1ccc(C)c([C@H](C)NC(=O)COc2cc(C)c(Cl)c(C)c2)c1 59351457 KAPUTZZLWFIMDV-INIZCTEOSA-N 345.870 4.830 0 40 EJAB Cc1ccc(C[C@H]2CCCN(C(=O)c3cc4ccccc4n3C)C2)cc1 65162291 FRSNBESPMFKAAD-LJQANCHMSA-N 346.474 4.582 0 40 EJAB Cc1cccc(-c2cccc(CNC(=O)c3ccc[nH]c3=S)c2)c1 69490490 GDQXUMHYAUARLU-UHFFFAOYSA-N 334.444 4.650 0 40 EJAB CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1CC 72214754 SMSLOWVPRXZMIS-KRWDZBQOSA-N 347.503 4.780 0 40 EJAB CC(C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1C(C)C 72214918 QOPSKDJFCUSBCP-KRWDZBQOSA-N 347.503 4.777 0 40 EJAB Cc1nc(SC2CCCCC2)ccc1CNC(=O)OC(C)(C)C 72224875 QPEHWPMZTSRHQQ-UHFFFAOYSA-N 336.501 4.840 0 40 EJAB CC(C)c1nc([C@H](C)NC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)cs1 74160091 BBUQAZZAZYJWQI-GLQYFDAESA-N 348.899 4.901 0 40 EJAB O=C(N[C@@H]1CCCc2c1[nH]c1ccc(F)cc21)c1ccc2[nH]ccc2c1 96116792 BKZUFGTZYMXIMP-LJQANCHMSA-N 347.393 4.596 0 40 EJAB Cc1ccc(OCC(=O)N[C@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)c(C(C)(C)C)c1 103002977 OWXUMEOFCLZJEU-BRSBDYLESA-N 343.511 4.612 0 40 EJAB CC1(C)[C@H]2C[C@H]1CC[C@@H]2CCOC(=O)COc1ccc(Cl)cc1 104176557 RTFSEUXOASYQQB-CPUCHLNUSA-N 336.859 4.724 0 40 EJAB COc1c(Cl)cc(-c2nc3cc(C(=O)O)ccc3o2)cc1Cl 216791229 UEYJRAVRXZDCLK-UHFFFAOYSA-N 338.146 4.508 0 40 EJAB COc1cccc(-c2nc(-c3ccncc3Cl)cs2)c1OC 225455107 SKSKZPUELIQOBD-UHFFFAOYSA-N 332.812 4.543 0 40 EJAB CCCOC1(C(=O)Nc2cc(C)c(OC(C)C)c(C)c2)CCCC1 225655810 ABCNIUZKYNBPBS-UHFFFAOYSA-N 333.472 4.769 0 40 EJAB CC(C)(C)c1cnc(C2CCN(C(=O)c3ccc(Cl)cc3)CC2)o1 227163827 BWYUBWQGMNPPIX-UHFFFAOYSA-N 346.858 4.645 0 40 EJAB CCCCCC(=O)Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1 408718306 RCMVBKXNAJAFHI-UHFFFAOYSA-N 335.407 4.922 0 40 EJAB Cc1ccccc1C1=CCN(C(=O)c2[nH]c3ccccc3c2Cl)C1 501560115 XDNQBNFWBGFNLR-UHFFFAOYSA-N 336.822 4.669 0 40 EJAB Cc1noc(C)c1[C@H](C)CC(=O)Nc1cccc2c(Cl)nccc12 585124592 ITOQPMIWMDJNAK-SNVBAGLBSA-N 343.814 4.625 0 40 EJAB Cc1nnc2c(Oc3cccc4ccccc34)nc3ccccc3n12 88992 USBPNMDAVZILCW-UHFFFAOYSA-N 326.359 4.531 0 40 EJAB Cc1ccc(OCc2ccc(C(=O)OCc3ccccc3)cc2)cc1 482426 NLCSMECMDGWGFB-UHFFFAOYSA-N 332.399 4.931 0 40 EJAB Cc1ccc(-n2cc(-c3ccc(Cl)cc3)c3c(N)ncnc32)cc1 1609265 LPBHWQKDGUSACB-UHFFFAOYSA-N 334.810 4.632 0 40 EJAB O=C(NCCc1ccc(Cl)cc1)C(c1ccccc1)c1ccccc1 3096350 KSSLXUWPVXYGNI-UHFFFAOYSA-N 349.861 4.831 0 40 EJAB CC(C)OC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1C(C)C 4932133 SCCJZCQQBSRHQB-UHFFFAOYSA-N 328.387 4.717 0 40 EJAB COc1cc(C(=O)Nc2ccc3ccccc3c2)cc(Cl)c1OC 6735626 IZFKWQSLKQOIGC-UHFFFAOYSA-N 341.794 4.763 0 40 EJAB O=C(Nc1ccc(N2CCCC2)cc1)c1ccc(C(F)(F)F)cc1 7951172 AECGHFOUAIYLOV-UHFFFAOYSA-N 334.341 4.558 0 40 EJAB CC[C@H]1CN2CC[C@H]1C[C@@H]2COC(=O)Nc1ccc(C(C)(C)C)cc1 8300091 QSUFNGZTOSFOJE-TXPKVOOTSA-N 344.499 4.653 0 40 EJAB biogenic,in-vitro O=C(Cc1cccc2ccccc12)Nc1ccc(OC(F)F)cc1 8941901 NIGZCATZAJIJSN-UHFFFAOYSA-N 327.330 4.622 0 40 EJAB O=C(CCc1cccs1)N1CCC[C@@H]1c1nc2ccccc2s1 9217508 IKTOLGBJLHMGMR-OAHLLOKOSA-N 342.489 4.654 0 40 EJAB O=C(CCC1CCCC1)N1CCC[C@H]1c1nc2ccccc2s1 9514135 LIQBHLJFFIZLEJ-INIZCTEOSA-N 328.481 4.930 0 40 EJAB O=C(CCc1ncc(-c2ccccc2)o1)Nc1ccc(F)c(Cl)c1 11423935 ZLNZFGYNYMEWQG-UHFFFAOYSA-N 344.773 4.705 0 40 EJAB CCCOc1ccc(C(=O)Nc2ccc(C)cc2F)cc1OCC 12893806 JAHGHYWVRIFNJF-UHFFFAOYSA-N 331.387 4.574 0 40 EJAB C[C@H]1C(=O)C[C@H](c2ccc(Cl)cc2)N[C@H]1c1ccc(Cl)cc1 13597506 GVIAXRUEUWNZTF-LIXBPZJASA-N 334.246 4.974 0 40 EJAB O=C(Nc1ccc(C(F)(F)F)cc1)c1cc(-c2ccccc2)on1 16705897 DIBROZIVHKNSPI-UHFFFAOYSA-N 332.281 4.613 0 40 EJAB CCOc1ccccc1[C@@H]1SCC(=O)N1c1ccc(C(C)C)cc1 17198543 UPFPFYGYGTVSLA-FQEVSTJZSA-N 341.476 4.987 0 40 EJAB COc1ccccc1NC(=O)N[C@@H](c1ccccc1)c1ccc(C)cc1 18175632 LNHLNBYKLDPTSO-NRFANRHFSA-N 346.430 4.915 0 40 EJAB CCCC(=O)N1CCC[C@H]1c1cc(-c2ccc(F)cc2)cc(C)n1 19691519 OIWASAMSBVLOHU-IBGZPJMESA-N 326.415 4.660 0 40 EJAB CN(C[C@H](O)c1ccccc1)[C@@H](c1ccccc1)c1ccc(F)cc1 23238107 AZLVFMJMZBMGFL-VXKWHMMOSA-N 335.422 4.581 0 40 EJAB Clc1cccc(OCc2noc(-c3cccs3)n2)c1Cl 31680868 YWRJJPLGYSACAQ-UHFFFAOYSA-N 327.192 4.684 0 40 EJAB CCSc1ccccc1NC(=O)COc1cccc2ccccc12 44899891 IUDAKXRJGGHZIF-UHFFFAOYSA-N 337.444 4.969 0 40 EJAB CCOc1ccccc1NC(=O)[C@@H](CC)Oc1cccc(Cl)c1 44902840 JPHWQIANIXKRPI-MRXNPFEDSA-N 333.815 4.535 0 40 EJAB Cc1cccc(Cl)c1NC(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 57412136 OTHURBAKGZCRPM-UHFFFAOYSA-N 346.217 4.944 0 40 EJAB O=[S@@](Cc1coc(-c2cccc(Cl)c2)n1)Cc1ccccc1F 66299841 VIYIBZGGTGMFSF-QHCPKHFHSA-N 349.814 4.583 0 40 EJAB O=C(O)/C=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1 108051869 CWOPAAHITDMZTK-SNAWJCMRSA-N 341.165 4.809 0 40 EJAB CSc1ccc(S(=O)(=O)Nc2c(Cl)cccc2Cl)cc1 181343090 HWJWVZCRCLGWEI-UHFFFAOYSA-N 348.276 4.516 0 40 EJAB CC[C@@H](NC(=O)CCc1ccc(C)c(C)c1)c1ccc(OC)c(C)c1 223210662 XKLBPJZFPQOTTG-HXUWFJFHSA-N 339.479 4.821 0 40 EJAB CCOc1ccc(C(=O)Nc2ccc(F)cc2)cc1COCC(C)C 224736576 ABXQSVYGFDCBTF-UHFFFAOYSA-N 345.414 4.649 0 40 EJAB Cc1ccc(C[C@H](Oc2ccccc2C(C)(C)C)C(=O)O)c(C)c1 225025463 YGNRPDWWNOBLEA-IBGZPJMESA-N 326.436 4.676 0 40 EJAB Cc1ccc(CCCC(=O)NCCCn2ccc3ccccc32)s1 257173115 CXBJHQYLBAAMMX-UHFFFAOYSA-N 340.492 4.540 0 40 EJAB CC(=O)N[C@]1(C)C[C@H](c2ccccc2Cl)O[C@@H]2C[C@H](C)CC[C@H]21 257280636 OLRACEQNFAARFR-AQCJLOBTSA-N 335.875 4.501 0 40 EJAB O=C(NC(Cl)=C(Cl)Cl)Nc1ccccc1C(F)(F)F 159302 NOGGDVWWPSIVFP-UHFFFAOYSA-N 333.524 4.670 0 40 EJAB Cc1ccc([C@H]2SCC(=O)N2c2ccc(Br)cc2)cc1 179984 ZKDVREYJAGVDOO-MRXNPFEDSA-N 348.265 4.536 0 40 EJAB CC(C)(C)c1ccc(-c2nnc(NC(=O)c3ccccc3)s2)cc1 306647 XWOYKNBCPCVOLB-UHFFFAOYSA-N 337.448 4.755 0 40 EJAB aggregator Fc1cccc(-n2c(-c3cccs3)nc3nc4ccccc4nc32)c1 509465 WLRQROAMSATKNT-UHFFFAOYSA-N 346.390 4.836 0 40 EJAB C[C@H]1CCC[C@H](C)N1C[C@H](O)COc1ccc(C2CCCCC2)cc1 1470099 CHJINILHYQKWHZ-WFXMLNOXSA-N 345.527 4.737 0 40 EJAB CCCOc1ccc(/C=C/C(=O)Nc2cccc(Cl)c2)cc1OC 1934598 GWUHAVMDMLCRRB-CSKARUKUSA-N 345.826 4.789 0 40 EJAB CCc1ccc(N(C(=O)c2ccccc2)C2=N[C@@H](CC)CS2)cc1 3223753 UZKULHMEGQTYGX-KRWDZBQOSA-N 338.476 4.777 0 40 EJAB Cc1ccc(O[C@]2(c3ccccc3)OC(=O)c3ccccc32)c(C)c1 4117612 IDKALQUUIVVTIN-JOCHJYFZSA-N 330.383 4.754 0 40 EJAB C[C@@H]1CC[C@](C)(C(=O)CCOC(=S)Nc2ccccc2)C1(C)C 4235367 DAMDHESDQQVJRM-AUUYWEPGSA-N 333.497 4.822 0 40 EJAB biogenic CCCC[C@H](CC)CNC(=O)COc1ccc(Cl)cc1Cl 6043095 SQMKMNZILMGLNP-LBPRGKRZSA-N 332.271 4.705 0 40 EJAB Cc1ccc(F)cc1NC(=O)c1sc(-c2ccc(F)cc2)nc1C 7062492 FVKBOPQAENHYJZ-UHFFFAOYSA-N 344.386 4.957 0 40 EJAB CC(C)(C)C(=O)CSc1nc(-c2ccco2)nc2ccccc12 12880834 NTBFGQVTWDQOIQ-UHFFFAOYSA-N 326.421 4.597 0 40 EJAB CC[C@@H]1CN(Cc2ccccc2)Cc2cc3ccc(C)cc3nc2O1 13563718 UDTGJEXBSIQYBZ-HXUWFJFHSA-N 332.447 4.716 0 40 EJAB CC(C)(C)c1ccc(C2=N/C(=C\C=C\c3ccccc3)C(=O)O2)cc1 16323177 MXTGPXDCCIJKAT-QBWRGEQUSA-N 331.415 4.885 0 40 EJAB c1cnc2[nH]c([C@@H]3CCCO3)c(CN3CCC[C@H]4CCCC[C@H]43)c2c1 19345171 KWOGBUGUEBNTRS-LZQZEXGQSA-N 339.483 4.569 0 40 EJAB CCSc1ncc(Cl)c(C(=O)Sc2ccc(Cl)cc2)n1 27995537 FAYBLUFUOMFMGK-UHFFFAOYSA-N 345.276 4.828 0 40 EJAB CCC(CC)C(=O)N(Cc1ccc(F)cc1Cl)c1ccccn1 28405068 NHUYTUJTKSLCAL-UHFFFAOYSA-N 334.822 4.844 0 40 EJAB C[C@@H](c1cc2ccccc2o1)N(C)Cc1nc(-c2ccccc2)no1 30006552 YZSLAXTUIMTADG-AWEZNQCLSA-N 333.391 4.676 0 40 EJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc(C)ccc1OC 30871663 WPJAEHGFXSMKGL-HXUWFJFHSA-N 349.430 4.953 0 40 EJAB Cc1nc2cc(F)ccc2cc1C(=O)N1CC[C@@H](C)c2ccccc21 31781627 AJZOCKJFRKOMEO-CYBMUJFWSA-N 334.394 4.836 0 40 EJAB Cc1ccc(-c2ccc(CCC(=O)NCc3ccccc3)o2)cc1C 33027733 VAFNJASBPHJGNJ-UHFFFAOYSA-N 333.431 4.812 0 40 EJAB O=C(Nc1ccc(F)cc1F)Nc1ccc(F)cc1Br 34673806 DBOQDCHZKKVJQO-UHFFFAOYSA-N 345.118 4.510 0 40 EJAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N[C@H](C)c1ccc(C)cc1 44849566 MODVMAMWKMOTAA-IEBWSBKVSA-N 325.452 4.647 0 40 EJAB Cc1cc(Br)cc(C)c1NC(=O)c1cccc(Cl)c1 48506162 JPIDSPJTMALGIG-UHFFFAOYSA-N 338.632 4.972 0 40 EJAB CCCn1c(SCc2cccc(Cl)c2)nnc1-c1ccncc1 58858844 NCGRSWLPDCRLFT-UHFFFAOYSA-N 344.871 4.696 0 40 EJAB CCOC(=O)c1ccc(OCc2ccccc2C)c(Br)c1 216817674 DQLPFTQWOUKFKK-UHFFFAOYSA-N 349.224 4.513 0 40 EJAB CCc1ccc(OCC(=O)N[C@H](CC)c2ccc(C)cc2C)cc1 218957430 PCVIXFQSWPKJAW-HXUWFJFHSA-N 325.452 4.512 0 40 EJAB CC[C@@H](NC(=O)/C=C/c1ccc(Cl)cc1)c1ccc(OC)c(C)c1 222731454 CKKRTQIGUUTHDU-VWGXWWAPSA-N 343.854 4.938 0 40 EJAB CC[C@@H](NC(=O)COc1cccc(Cl)c1)c1ccc(C)c(C)c1 222771372 HKBAHRDXDRQBSA-GOSISDBHSA-N 331.843 4.603 0 40 EJAB COC(=O)c1ccc(CN2c3cc(C)c(C)cc3C(C)=CC2(C)C)o1 223230898 LDZUNXWRHCNMRY-UHFFFAOYSA-N 339.435 4.885 0 40 EJAB CCc1ccc([C@@H](C)NC(=O)[C@@H](CC)Oc2cccc(C)c2)cc1 224927418 VLNOYSRAJATBCC-OXQOHEQNSA-N 325.452 4.592 0 40 EJAB S=C(NCCCSCc1ccco1)Nc1ccc(Cl)cc1 225592872 PLSXQKDBFPFFPK-UHFFFAOYSA-N 340.901 4.543 0 40 EJAB Cc1cc(-c2ccccc2)cc([C@@H]2CCCN(C(=O)CC(C)C)C2)n1 257214283 CLKDBKCYAIJGDD-LJQANCHMSA-N 336.479 4.809 0 40 EJAB CCOc1ccc(/C=C/C(=O)Nc2ccccc2CC)cc1OCC 147411 NGISBYBCKVBKCN-WYMLVPIESA-N 339.435 4.698 0 40 EJAB Cc1cc(C)c2c(c1)-c1cc(C)nn1[C@H](c1c[nH]c3ccccc13)N2 818040 VRKMASSCSZJZMM-OAQYLSRUSA-N 328.419 4.929 0 40 EJAB CCOC(=O)c1cc2c(ccn2C)n1Cc1ccc(C(C)(C)C)cc1 1337935 IOUWCJHTXQJKRJ-UHFFFAOYSA-N 338.451 4.502 0 40 EJAB CCCOc1ccc(-c2cc(OC)c3c(C)oc(C)c3c(=O)c2)cc1 1836590 MPXUGMFSZRWFHW-UHFFFAOYSA-N 338.403 4.874 0 40 EJAB Cc1cc(C(C)(C)C)ccc1OCC(=O)Nc1ccc(Cl)cc1 3183685 JUTOTWBHODVKDL-UHFFFAOYSA-N 331.843 4.963 0 40 EJAB FC(F)Sc1ccc(NC(=S)N2CCc3ccccc32)cc1 3255476 LECYOJYVCPHUEY-UHFFFAOYSA-N 336.432 4.761 0 40 EJAB CC(=O)c1cc(F)ccc1Oc1nc(C)nc2sc(C)c(C)c12 3358668 HHSVHQULMQHGKH-UHFFFAOYSA-N 330.384 4.751 0 40 EJAB CC[C@@H](C)c1ccc(OCC(=O)NCCc2ccc(Cl)cc2)cc1 3405643 XPKWNPYJGXXWEW-OAHLLOKOSA-N 345.870 4.591 0 40 EJAB CCn1c(SCCOc2ccc(Cl)cc2)nc2ccccc21 3671929 VQWATLZUSQKCAJ-UHFFFAOYSA-N 332.856 4.881 0 40 EJAB COc1ccc(Cl)cc1C(=O)NCc1ccc(Cl)c(Cl)c1 5527204 RQCGVVHOFNZMBF-UHFFFAOYSA-N 344.625 4.585 0 40 EJAB O=C(Nc1ccc(CN2CCCC2)cc1)c1ccc(Cl)cc1Cl 5996881 SILJMSNNNPJIDE-UHFFFAOYSA-N 349.261 4.842 0 40 EJAB CCOc1cc(C(=O)Nc2cccc(C)c2C)cc(Cl)c1OC 6350925 RBZQOVBJUPIINQ-UHFFFAOYSA-N 333.815 4.616 0 40 EJAB O=C(N[C@@H]1CCOc2ccccc21)c1ccccc1-c1ccccc1 7216218 WEYMNBBHNXPSTI-HXUWFJFHSA-N 329.399 4.607 0 40 EJAB Cc1ccc(NC(=O)Nc2nnc(/C=C/c3ccccc3)s2)cc1 8738949 BMJAZIAJZLGGEI-FMIVXFBMSA-N 336.420 4.661 0 40 EJAB Cc1c(C(=O)N(C)Cc2cccc3ncccc23)oc2c(C)cccc12 12325631 ZRFGQRORMMHGAG-UHFFFAOYSA-N 344.414 4.870 0 40 EJAB Cc1ccc(F)c(NC(=O)Cc2csc(-c3ccsc3)n2)c1 12794362 ZUWOEWJLNLIJIQ-UHFFFAOYSA-N 332.425 4.500 0 40 EJAB CC1CCN(C(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)CC1 14235752 QTVNUGJYRAFUGL-UHFFFAOYSA-N 335.447 4.575 0 40 EJAB COc1ccc([C@H]2CCCN2Cc2cc(-c3cccs3)on2)cc1 16339362 KJMOMZQXTZIDKR-QGZVFWFLSA-N 340.448 4.749 0 40 EJAB O=C(NCCSCc1cccc(Cl)c1)c1cccc(Cl)c1 20240014 MPSOSZPCLOLFPF-UHFFFAOYSA-N 340.275 4.657 0 40 EJAB O=C(c1cc(Br)ccc1F)N1CCC[C@@H]1c1ccccc1 22328639 RLESQGQGWQMFDA-MRXNPFEDSA-N 348.215 4.566 0 40 EJAB O=C(CC1CCCCC1)NCc1cc(-c2cc3ccccc3o2)on1 22768673 AKVIJGBAVVMEAL-UHFFFAOYSA-N 338.407 4.674 0 40 EJAB O=C(CCc1ccco1)Nc1nc(-c2ccccc2Cl)cs1 24008807 WZPKISVLDYWJLR-UHFFFAOYSA-N 332.812 4.628 0 40 EJAB O=C(NC1CCC(c2ccccc2)CC1)c1cccc2ncccc12 25099207 ITLCUJPSYNTWOV-UHFFFAOYSA-N 330.431 4.691 0 40 EJAB Cc1ccc2sc(NC(=O)Nc3ccc(F)cc3F)nc2c1C 28221487 CZZRYYRNVZSHBO-UHFFFAOYSA-N 333.363 4.835 0 40 EJAB O=C(Nc1ccc(N2CCCC2)cc1)Nc1ccccc1C(F)(F)F 32610252 PFJGINZYCVTUCA-UHFFFAOYSA-N 349.356 4.950 0 40 EJAB Cc1ccc(-c2nn3c(N4C[C@H](C)C[C@@H](C)C4)cc(C)nc3c2C)cc1 40216948 CHYCQOQQUMQGAW-HZPDHXFCSA-N 348.494 4.804 0 40 EJAB CCOc1ccc(CN(C)Cc2ccccc2Oc2cccnc2)cc1 58099499 JCCINTRQCJYXLC-UHFFFAOYSA-N 348.446 4.905 0 40 EJAB CCCCC[C@@H](CCCP(=O)(OC)OC)O[C@H]1CCCCO1 77922624 WEJXBWLOAWUGSA-HOTGVXAUSA-N 336.409 4.745 0 40 EJAB Cc1cc(NCc2cccnc2N2CCCCC2)nc2ccccc12 84114832 XSSDFOLPQWHTQD-UHFFFAOYSA-N 332.451 4.541 0 40 EJAB O=C(Cc1ccc2ccccc2c1)OCc1cc(F)cc2cccnc12 84605851 IIZIAVDAGQPNDO-UHFFFAOYSA-N 345.373 4.813 0 40 EJAB CC(C)N1CCC(Nc2cc(C(F)(F)F)nc3ccccc23)CC1 89870054 INFJNXSNWNQAAH-UHFFFAOYSA-N 337.389 4.538 0 40 EJAB CC(C)c1sc(Cl)nc1C(=O)Nc1nc2c(s1)CCCC2 95475844 NTDLHSAEMIBAOI-UHFFFAOYSA-N 341.889 4.508 0 40 EJAB CCN(C(=O)[C@@H](C)SCc1ccc(OC)c(F)c1)c1ccccc1 97151278 ZSXAYHIRSREABD-CQSZACIVSA-N 347.455 4.509 0 40 EJAB O=c1[nH]c2c(s1)[C@@H](c1ccccc1Cl)[C@H]1[C@@H]3CC[C@H](C3)[C@H]1S2 100872163 JSSBVGZWZPTGCP-UYYBAZKBSA-N 349.908 4.742 0 40 EJAB COc1ccc(OC)c2c1[C@@H]1CC[C@@H]2C12C(C)(C)C2(Cl)Cl 101049750 HUWONRPQALIUBQ-UWVGGRQHSA-N 327.251 4.879 0 40 EJAB CCCn1/c(=N/C(=O)C2CCCCC2)sc2c(C)cc(C)cc21 101061484 OHBMGZRNJGYOGJ-VXPUYCOJSA-N 330.497 4.737 0 40 EJAB Clc1ccc(C2=C[C@@H](c3cccs3)n3ncnc3N2)c(Cl)c1 101254698 RNPPAFOFQAFYCF-ZDUSSCGKSA-N 349.246 4.702 0 40 EJAB O=C(Nc1ncc(Cc2cccc(Cl)c2)s1)[C@H]1C[C@H]2CC[C@H]1C2 106523713 VMZPTHNJRVLYJU-XEZPLFJOSA-N 346.883 4.762 0 40 EJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCc1cccc2ccccc12 222872914 KBWYWLBPYSBQJI-QFIPXVFZSA-N 347.458 4.930 0 40 EJAB COc1cccc2cc(C(=O)N[C@H](C)c3cc(C)c(C)cc3C)oc12 223438000 RAOCJRFUNAIGBL-OAHLLOKOSA-N 337.419 4.858 0 40 EJAB COc1ccc(C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1Cl 223496688 NYJWEPOMTWJDGS-AWEZNQCLSA-N 331.843 4.765 0 40 EJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(F)cc1 224194264 FJKFZKJANUBMEP-LJQANCHMSA-N 327.399 4.501 0 40 EJAB CC(C)C[C@H](NC(=O)Cc1ccc(Cl)cc1F)c1ccccc1 224859943 IXLXIRWAQKTZLU-SFHVURJKSA-N 333.834 4.925 0 40 EJAB CCc1ccc([C@H](C)NC(=O)[C@H](C)Oc2cc(C)ccc2C)cc1 225256685 BBZWOGFOLVDWGX-IRXDYDNUSA-N 325.452 4.511 0 40 EJAB Clc1cccc(Nc2ncncc2-c2nc(-c3ccccc3)no2)c1 225577676 SLMJONWXDAGLEJ-UHFFFAOYSA-N 349.781 4.591 0 40 EJAB CCOc1cccc(NC(=S)NC[C@@H](CC)Cc2ccccc2)c1 225632223 PPRGAMAYGHPFFU-INIZCTEOSA-N 342.508 4.641 0 40 EJAB CCOc1cccc(NC(=S)N[C@@H](C)c2ccc(C)c(C)c2)c1 225707225 UBHHFCHIVHLETF-HNNXBMFYSA-N 328.481 4.750 0 40 EJAB C[C@H]1CCC[C@@H](C)N1C(=O)c1ccc(-c2ccc(N)cc2Cl)o1 226304704 KNQNCUPLUIRWPW-TXEJJXNPSA-N 332.831 4.585 0 40 EJAB CCOc1ccccc1[C@@H]1SCC(=O)N1c1ccc(Cl)cc1 408556988 LJWGUYHATWHPNV-KRWDZBQOSA-N 333.840 4.517 0 40 EJAB CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(Cl)c(Cl)c2)C1=O 409010722 DFVDMAAKGRKJNE-LQGZHCLWSA-N 330.236 4.828 0 40 EJAB Cc1ccc(CN(C(=O)CCc2ccc(-c3ccccc3)o2)C2CC2)o1 612550004 UQXXIUAFVDDDJO-UHFFFAOYSA-N 349.430 4.972 0 40 EJAB C[C@H]1CN=C(N(C(=O)Nc2ccc(Cl)cc2)c2ccccc2)S1 86877 MDBYKBAUPLVXQS-LBPRGKRZSA-N 345.855 4.870 0 40 EJAB Cc1ccccc1NS(=O)(=O)c1ccc(C2CCCCC2)cc1 289008 STLMNZVBCJVQOZ-UHFFFAOYSA-N 329.465 4.844 0 40 EJAB in-vitro CCCOC(=O)c1c(NC(=O)C(CC)CC)sc2c1CCCC2 2085392 AHJMBTYKEMWYBV-UHFFFAOYSA-N 337.485 4.568 0 40 EJAB CCOC(=O)CCCCCCC(=O)c1ccc(Br)cc1 2378820 ROAGOUNIEVPAAN-UHFFFAOYSA-N 341.245 4.536 0 40 EJAB Cc1ccc2c(CC(=O)Nc3ccc(OC(F)(F)F)cc3)coc2c1 3524939 OIQSSVBCCFIMBQ-UHFFFAOYSA-N 349.308 4.821 0 40 EJAB Cc1cccc(C(=O)N2N=C(c3ccccc3)C[C@@H]2c2ccco2)c1 4306628 JNNMCACVEDMPGO-LJQANCHMSA-N 330.387 4.580 0 40 EJAB c1ccc(CNCN2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 5518206 QLNYXSZSBGQDLK-HSZRJFAPSA-N 341.458 4.585 0 40 EJAB O=C(Nc1ncc(Cc2cc(Cl)ccc2Cl)s1)C1CCC1 5579035 HPMXNVYCEQKMFC-UHFFFAOYSA-N 341.263 4.779 0 40 EJAB CCOc1cc(C=O)cc(Cl)c1OCc1cccc(Cl)c1 5592984 MOQOCJRINCDXKM-UHFFFAOYSA-N 325.191 4.784 0 40 EJAB CC(C)(C)C1=Nn2c(nnc2-c2ccc(Cl)cc2Cl)SC1 6357199 ADZHPLGIUTZFIS-UHFFFAOYSA-N 341.267 4.608 0 40 EJAB C[C@H](NC(=O)Cn1c(-c2ccccc2)cc2ccccc21)c1ccco1 8172489 IKIGMCCIIWTKPD-INIZCTEOSA-N 344.414 4.779 0 40 EJAB COc1cc(CN[C@H](c2cccs2)C(C)C)cc(Cl)c1O 9503235 VEROLWJPZVKINI-HNNXBMFYSA-N 325.861 4.603 0 40 EJAB Cc1ccc(-c2csc(NC(=O)c3cc(C)oc3C)n2)c(C)c1 11357753 UBYOUELAJMHDMB-UHFFFAOYSA-N 326.421 4.889 0 40 EJAB CCN(CC(=O)Nc1c(C)cccc1C(C)C)Cc1cccc(F)c1 12997734 FRDKNRVHAVIJKV-UHFFFAOYSA-N 342.458 4.718 0 40 EJAB Cc1cc(O[C@H](C)C(=O)Nc2cccc3cccnc23)ccc1Cl 15835416 IZEJJMYYJCUFHB-CYBMUJFWSA-N 340.810 4.603 0 40 EJAB CCCc1nnc(-c2cc3ccccc3n2Cc2ccccc2F)o1 17287311 IJVAWCQDNBKQQW-UHFFFAOYSA-N 335.382 4.831 0 40 EJAB COc1ccc(C)cc1CN[C@H](Cc1cccs1)c1nccs1 19133624 AHCHDLOEMSVNMF-MRXNPFEDSA-N 344.505 4.595 0 40 EJAB CCOc1ccc(C(=O)N[C@@H](C)c2ccc(SC)cc2)cc1C 20025604 WSWIQZDNVLFMPA-AWEZNQCLSA-N 329.465 4.607 0 40 EJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NC12CC3CC(CC(C3)C1)C2 20039766 JNCLAKOCWWXBSH-ONUXSRJRSA-N 341.495 4.546 0 40 EJAB Cc1ccc(-n2nc(C)c3c2C[C@H](c2cccc(C)c2)CC3=O)cc1 20633017 VXFBVNWDDDKFBH-SFHVURJKSA-N 330.431 4.710 0 40 EJAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(C(F)(F)F)cc1 21312220 JGSJUIXEKDGSOW-OAHLLOKOSA-N 341.304 4.641 0 40 EJAB CC[C@@H](NC(=O)CSCc1ccc(F)cc1)c1ccc(C)cc1 24589458 SLIZIVLVKBSXBS-GOSISDBHSA-N 331.456 4.635 0 40 EJAB COc1ccccc1N(C(=O)Nc1ccc(C)c(C)c1)C1=NCCC1 27752110 XPNSVCONCJKISN-UHFFFAOYSA-N 337.423 4.543 0 40 EJAB O=C(Nc1nc(-c2ccc[nH]2)cs1)c1cc2c(s1)CCCCC2 29352025 XQGGHHOLONMMPB-UHFFFAOYSA-N 343.477 4.721 0 40 EJAB Cc1cc(C)cc(OCCC(=O)N[C@H](c2cccs2)C(C)C)c1 32765738 RWXYIWIXTVKYBU-IBGZPJMESA-N 331.481 4.647 0 40 EJAB Cc1cc(Br)cc(Cl)c1NC(=O)Cc1cccs1 40134640 LTUPFRQANKNVJW-UHFFFAOYSA-N 344.661 4.654 0 40 EJAB O=C(Nc1ccc2nc(-c3cccc(Cl)c3)oc2c1)c1ccco1 41086028 YCIAKKZTHKVUMN-UHFFFAOYSA-N 338.750 4.994 0 40 EJAB O=C(c1cnc(-c2ccccc2)s1)N1CCC[C@H]1Cc1ccccc1 47074477 PXEJLTRGVYSBEP-SFHVURJKSA-N 348.471 4.657 0 40 EJAB Cc1ccccc1NC(=O)N(C)[C@@H](c1cccc(F)c1)c1ccccn1 65607113 UCKXUMIWNZYNCK-FQEVSTJZSA-N 349.409 4.782 0 40 EJAB CCCCN1CCCC[C@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 72214343 NBVJOEGQUUHYNH-INIZCTEOSA-N 333.476 4.756 0 40 EJAB Cc1cc2nc(-c3cccc(I)c3)oc2cc1C 73639049 TYPZKWXGXZRGEY-UHFFFAOYSA-N 349.171 4.716 0 40 EJAB CC(=O)Nc1ccccc1CN(C)[C@@H](C)c1sc(C(C)C)nc1C 93821648 POSHHECVKPFIQJ-AWEZNQCLSA-N 345.512 4.726 0 40 EJAB Cc1nnc(-c2ccccc2NC(=O)[C@@H](C)c2cc3ccccc3o2)o1 96451932 SLFXOQXGZRHPGB-LBPRGKRZSA-N 347.374 4.533 0 40 EJAB O=C(c1ccc(Cl)s1)N1CCS[C@@H](c2ccccc2)CC1 211143698 ZEIXVGVLRVCZTM-CYBMUJFWSA-N 337.897 4.722 0 40 EJAB Cc1ccccc1CSCC(=O)N[C@H](C)c1ccc2c(c1)CCC2 223152456 RMEVKRLKKYDYSA-MRXNPFEDSA-N 339.504 4.594 0 40 EJAB Nc1cc(C(=O)O)ccc1Nc1ccccc1Sc1ccccc1 225323129 VUPZXBWTSXDUKI-UHFFFAOYSA-N 336.416 4.862 0 40 EJAB FC(F)(F)c1ccc(NC(=S)NCCC2=CCCCC2)cc1 225354762 BNPYDXYNXXMISR-UHFFFAOYSA-N 328.403 4.882 0 40 EJAB COc1cccc(C2=NN(c3ccc(C)cc3C)[C@H](C(F)(F)F)C2)c1 258329417 ANXNCRHCQKQYJX-SFHVURJKSA-N 348.368 4.857 0 40 EJAB CCOc1cc(/C=C/C(=O)Nc2ccc(F)c(Cl)c2)ccc1OC 408612442 VIKWWHMJPSFQDY-WEVVVXLNSA-N 349.789 4.538 0 40 EJAB O=C(c1cc2c(ccc3ccccc32)o1)N1CCc2ccccc2C1 408627763 PLCNOGXWQYAINT-UHFFFAOYSA-N 327.383 4.785 0 40 EJAB Cn1ccc2ccc(NC(=O)[C@H]3CCC[C@H]3Cc3ccccc3)cc21 1522672504 LZAIWKVAMJVYJJ-ICSRJNTNSA-N 332.447 4.776 0 40 EJAB COc1c(Cl)cc(Cl)cc1-c1nnc2ccc3ccccc3n12 52865 CXZVPGYQXQZVLQ-UHFFFAOYSA-N 344.201 4.865 0 40 EJAB Cc1ccc(C)c(OC(=O)NC(C)(C(F)(F)F)C(F)(F)F)c1C 198270 ZRJHUNHFCMCAQZ-UHFFFAOYSA-N 343.267 4.584 0 40 EJAB biogenic O=C(Nc1ccc(Cl)cc1)Nc1nnc(C2CCCCC2)s1 209820 CKZUATXHMNYAQO-UHFFFAOYSA-N 336.848 4.883 0 40 EJAB Cc1ccc(C)c(NC(=S)N2CCCC[C@H]2c2cccnc2)c1 240221 CUEGAROVUYRZFT-SFHVURJKSA-N 325.481 4.622 0 40 EJAB Cc1ccc(Cl)cc1NC(=O)COc1ccc(C(C)(C)C)cc1 574414 CFUSOUJIKLPGMP-UHFFFAOYSA-N 331.843 4.963 0 40 EJAB Cc1nc(SCc2ccc(Cl)cc2Cl)nc2c1CCC2 582101 PUKVFGYWYBTEBV-UHFFFAOYSA-N 325.264 4.873 0 40 EJAB Cc1cc(C)n(-c2ccc(C(=O)Nc3cc(Cl)ccc3C)cc2)n1 3236341 RSLXEKNJLQHBMH-UHFFFAOYSA-N 339.826 4.703 0 40 EJAB Cc1ccccc1NC(=O)COc1ccc2oc3ccccc3c2c1 3256425 ZJDFFDASOQDRTL-UHFFFAOYSA-N 331.371 4.912 0 40 EJAB CSc1ncccc1C(=O)Nc1ccccc1Cc1ccccc1 3347497 QMZIULZINCWBFX-UHFFFAOYSA-N 334.444 4.647 0 40 EJAB CC(C)CN1[C@H]2CCC[C@@H]1CC(NC(=O)Nc1ccc(Cl)cc1)C2 4886500 PCNLGMFHADPQSV-AYHJJNSGSA-N 349.906 4.503 0 40 EJAB O=C(CC(c1ccccc1)c1ccccc1)N1CCc2ccccc21 5602304 PUMHQWFJPUMLAR-UHFFFAOYSA-N 327.427 4.798 0 40 EJAB Cc1nc(SCC(=O)c2cccc(Cl)c2)c2ccccc2n1 6939604 FGNWFMLSSGGECO-UHFFFAOYSA-N 328.824 4.567 0 40 EJAB O=C(CN1CCCCCCC1)Nc1ccc(Cl)cc1C(F)(F)F 7779711 HZLTZQDGMYTUSS-UHFFFAOYSA-N 348.796 4.563 0 40 EJAB COc1ccc(OC)c(-c2csc(NCc3ccc(F)cc3)n2)c1 8298754 FYYUYHGHXMGKDQ-UHFFFAOYSA-N 344.411 4.579 0 40 EJAB Cc1ccc2c(c1)CCCN2[C@@H](C)c1nnc(-c2cccs2)o1 9377710 CXYJGWTVSQUDDA-ZDUSSCGKSA-N 325.437 4.620 0 40 EJAB Cc1nc(-c2ccc(CNC(=O)c3cccc(C)c3C)s2)cs1 12879848 SBZNAQLQUQGNOZ-UHFFFAOYSA-N 342.489 4.727 0 40 EJAB O=C(Cc1c[nH]c2ccccc12)Nc1ccccc1SC(F)F 12972117 WBBCXFYZNMHEHT-UHFFFAOYSA-N 332.375 4.664 0 40 EJAB O=C(COc1ccccc1-c1ccccc1)N1CCC[C@H]2CCCC[C@@H]21 14598352 DGIQSSMDGHEVFU-CTNGQTDRSA-N 349.474 4.914 0 40 EJAB Cc1ccc2cccc(NC(=O)c3ccccc3Br)c2n1 15835219 HXGVDHSKVHAVGT-UHFFFAOYSA-N 341.208 4.558 0 40 EJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCCc1cccc(C)c1 20111020 ZSXZIUMSCWHEOI-IBGZPJMESA-N 345.870 4.555 0 40 EJAB Cc1cccc(Nc2nn(-c3ccc(F)cc3)c3c2C(=O)CCC3)c1 20672143 MONNNJPVSBYLKM-UHFFFAOYSA-N 335.382 4.582 0 40 EJAB CSc1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)c1 21381947 NNNRBUPRMZENTA-GFCCVEGCSA-N 335.856 4.776 0 40 EJAB Cc1ccc(-c2cc(C(=O)N(C)c3ccc4ccccc4c3)n[nH]2)s1 24464510 CJZJVVOIJJBDGQ-UHFFFAOYSA-N 347.443 4.876 0 40 EJAB COc1ccc(Nc2ncnc3sccc23)cc1OC1CCCC1 25577430 RLZIBQIHQVULSO-UHFFFAOYSA-N 341.436 4.765 0 40 EJAB Cc1[nH]c2ccc(C(=O)Nc3ncc(Cl)cc3Cl)cc2c1C 27983213 OHNXJDRNUGCEJY-UHFFFAOYSA-N 334.206 4.739 0 40 EJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCCc1cccc(C)c1 30853062 YZRMAOBNKWDKFJ-OAQYLSRUSA-N 339.479 4.518 0 40 EJAB Cc1ccc2oc(C(=O)Nc3cccc(OC(F)F)c3)c(C)c2c1 32622816 VDHFFKKNBMUHGK-UHFFFAOYSA-N 331.318 4.903 0 40 EJAB COc1ccc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)cc1C 33328029 ANJBUINRJWNWEG-ZSOIEALJSA-N 333.309 4.515 0 40 EJAB COc1ccc(F)cc1-c1csc(-c2ccc(NC(C)=O)cc2)n1 40051924 JEVSFQUDJQSLRX-UHFFFAOYSA-N 342.395 4.583 0 40 EJAB CC(=O)c1ccc(NC(=S)N2CCCSc3ccccc32)cc1 44511812 NBOWHWVDCMGEBF-UHFFFAOYSA-N 342.489 4.588 0 40 EJAB CC1=C(/C=C\C(C)=C/C=C/C(C)=C\CCC(O)(O)O)C(C)(C)CCC1 44830468 KMPBUGGPUQOWMJ-NXPSPVSKSA-N 346.511 4.929 0 40 EJAB Cc1cccc(-c2nc3ccccc3c(=O)n2-c2ccccc2C)c1 44928721 IMMXHYWCTOLUJE-UHFFFAOYSA-N 326.399 4.670 0 40 EJAB CCCCc1ccc(NC(=O)c2cc(-c3ccc(C)cc3)[nH]n2)cc1 57477027 LVMSLWSVSCOMDY-UHFFFAOYSA-N 333.435 4.980 0 40 EJAB CCOc1ccccc1CCC(=O)N(C)c1cccc2ccccc12 58156694 NMKBIRYNWDDRQN-UHFFFAOYSA-N 333.431 4.834 0 40 EJAB CC(C)[C@@H](C)NC(=O)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 58171963 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C[C@H]1CCC[C@H](C)N1C(=O)c1ccc(-c2ccc(Cl)c(N)c2)o1 226305151 XIDMJYGNDQTQBW-RYUDHWBXSA-N 332.831 4.585 0 40 EJAB CC[C@H](C(=O)NCc1ccc(-c2ccsc2)o1)c1ccccc1 575611034 SYRYIJWDAJIKHJ-KRWDZBQOSA-N 325.433 4.818 0 40 EJAB Cc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1 181063 JWTAFJDGJOPKKM-UHFFFAOYSA-N 327.387 4.791 0 40 EJAB Cc1ccccc1OC(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1 363663 VOYNVVVXDQPWET-KRWDZBQOSA-N 344.410 4.935 0 40 EJAB Cc1ccc(-n2c(-c3ccco3)nc3nc4ccccc4nc32)cc1 508194 ODTSUZRODNCQKC-UHFFFAOYSA-N 326.359 4.537 0 40 EJAB CC(=O)Nc1ccc(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)cc1 957087 ZYWWJVRKRLHTNW-YCRREMRBSA-N 349.217 4.604 0 40 EJAB CCc1c(C)sc2ncn3nc([C@@H]4C[C@@H]4c4ccc(C)cc4)nc3c12 2808971 IXTIMDNXEMURGN-HZPDHXFCSA-N 348.475 4.789 0 40 EJAB O=C(CCc1nc2ccccc2s1)OCc1c(F)cccc1Cl 3318847 CKZQCZYCKPWGOD-UHFFFAOYSA-N 349.814 4.765 0 40 EJAB CCc1ccc(Nc2nnc(SC[C@H]3CCCCO3)s2)cc1 3532111 MPXCXLCFGOYBKY-CQSZACIVSA-N 335.498 4.505 0 40 EJAB CC(C)Oc1ccc(OCCSc2nc3ccccc3[nH]2)cc1 3902129 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CCc1ccccc1NC(=O)c1ccc(CN2CCC[C@H](C)C2)cc1 22522736 FCWSAOBZWMBSIM-KRWDZBQOSA-N 336.479 4.733 0 40 EJAB Cc1ccc(CNC(=O)N(C)[C@H](C)c2cc3ccccc3o2)cc1F 23174763 QMZDXWPAZGQYPU-CQSZACIVSA-N 340.398 4.783 0 40 EJAB COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1 26456472 SSSWBWYSZIXWGC-UHFFFAOYSA-N 329.827 4.799 0 40 EJAB O=C1C[C@@H](c2ccc(F)cc2)c2snc(-c3ccc(F)cc3)c2N1 35324511 RFHHQTLGSLQGBV-AWEZNQCLSA-N 342.370 4.562 0 40 EJAB CCCCNc1cc(C)nc2c(C)c(-c3ccc(Cl)cc3)nn12 40216997 WYYTUUWZQGCXGG-UHFFFAOYSA-N 328.847 4.879 0 40 EJAB Cc1noc([C@@H](C)SCc2csc(-c3ccc(F)cc3)n2)n1 56232964 ZNUMVQSEPWTMKP-SECBINFHSA-N 335.429 4.635 0 40 EJAB O=C(NCC1CCC1)c1ccc(-c2nc3ccccc3s2)s1 58390746 VFVQCFKJUCIWPQ-UHFFFAOYSA-N 328.462 4.555 0 40 EJAB O=C(Nc1nccs1)N[C@@H](c1ccc(Cl)cc1)c1ccsc1 66346562 JGCPJENDENYAJJ-ZDUSSCGKSA-N 349.868 4.769 0 40 EJAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)N(C)[C@@H](C)c1ccccc1 69367206 RTFSWXFWMBEBQZ-INIZCTEOSA-N 348.450 4.714 0 40 EJAB CSc1nnc(S[C@@H](C)c2ncc(-c3ccccc3)o2)s1 69975530 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EJAB COc1cc2c(cc1C)-c1[nH]c(=Nc3cccc(C)c3)sc1CC2 408897591 YSAVNKMATWUSLF-UHFFFAOYSA-N 336.460 4.700 0 40 EJAB Cc1ccccc1C(=O)N[C@@H](c1nc(-c2ccccc2)no1)C(C)(C)C 526052227 GILOIALVEGDUFM-KRWDZBQOSA-N 349.434 4.562 0 40 EJAB CCC1(CC)CN(C(=O)c2cc(O)ccc2Cl)c2ccccc21 1137711920 KHWGWNHOKQAJQW-UHFFFAOYSA-N 329.827 4.764 0 40 EJAB c1ccc(/N=c2/scc(-c3ccccc3)n2Cc2cccnc2)cc1 114242 SPGWDSRXEQHWPK-XTQSDGFTSA-N 343.455 4.892 0 40 EJAB Cc1ccc(-n2c(-c3ccco3)nc3nc4ccccc4nc32)cc1C 508140 PBBXTUXNDMUYNZ-UHFFFAOYSA-N 340.386 4.846 0 40 EJAB CCOP(=O)(OCC)Oc1nc(Cl)c(Cl)cc1Cl 2037153 OTMOUPHCTWPNSL-UHFFFAOYSA-N 334.523 4.602 0 40 EJAB in-vivo CC(C)(C)c1ccc(S(=O)(=O)Oc2ccc3ccccc3c2)cc1 2069682 XPXRLGZJOWGGTB-UHFFFAOYSA-N 340.444 4.905 0 40 EJAB Cc1nn2c(NC3CCCCC3)c3c(nc2c1-c1ccccc1)CCC3 2356676 VSKLYQCNHJEXGB-UHFFFAOYSA-N 346.478 4.938 0 40 EJAB O=C(c1cc(Cl)cc(Cl)c1)c1ccccc1CN1CCCC1 2515584 AOCSLRUFTYSNFD-UHFFFAOYSA-N 334.246 4.820 0 40 EJAB Cc1cccc(C(=O)Nc2ccc(C(=O)OC3CCCCC3)cc2)c1 3096907 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CCc1ccc(O[C@@H](CC)C(=O)N[C@H](C)c2ccc(CC)cc2)cc1 78458519 JTXBHIWRYBYLAX-IERDGZPVSA-N 339.479 4.846 0 40 EJAB COc1ccccc1NC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 80343953 XDWMESPLJRKDFP-KGLIPLIRSA-N 336.218 4.744 0 40 EJAB CCN(Cc1ccccn1)C(=O)N[C@@H](C)c1csc2ccccc12 84157948 UAJISRAQNNPBCB-AWEZNQCLSA-N 339.464 4.589 0 40 EJAB O=C(Nc1cccc(C2SCCCS2)c1)[C@H]1C[C@@H]1c1ccco1 95381714 JIUZKCXZMLZPBV-GJZGRUSLSA-N 345.489 4.891 0 40 EJAB CCOC(=O)/C=C/c1ccc(OC)c(OCc2ccc(Cl)cc2)c1 216899542 LBJAKLXTIWEPBF-YRNVUSSQSA-N 346.810 4.504 0 40 EJAB O=C(c1ccccc1Cl)N1CCS[C@H](c2cccs2)CC1 219479050 YLJCDMDOBVZMMS-HNNXBMFYSA-N 337.897 4.722 0 40 EJAB Cc1ccc(OC[C@H](C)NC(=O)CCc2cccc3ccccc23)cc1 222677199 OWCRWRXLQAYYFS-SFHVURJKSA-N 347.458 4.665 0 40 EJAB CCCCOCc1cc(C(=O)NC2CCCCCCC2)ccc1OC 224443647 WXESYIMVLGDEPT-UHFFFAOYSA-N 347.499 4.855 0 40 EJAB CC(C)(C)SCCNC(=O)CCc1ccc(Cl)cc1Cl 225369875 FSZYZSBCNDLEFV-UHFFFAOYSA-N 334.312 4.574 0 40 EJAB CCOC1(C(=O)Nc2ccc(OC)c3ccccc23)CCCCCC1 225830913 NQCLVAUUZYHDSE-UHFFFAOYSA-N 341.451 4.916 0 40 EJAB Fc1cccc(CNC(=S)Nc2ccc(OC3CCCC3)cc2)c1 225837454 TWQDKFGBKBYQBK-UHFFFAOYSA-N 344.455 4.634 0 40 EJAB Cc1c(Cl)cccc1-c1ccc(C(=O)Nc2ccccc2N)o1 226348324 JUXLXSGNHNJNDE-UHFFFAOYSA-N 326.783 4.743 0 40 EJAB N[C@H](COc1cccc(F)c1Oc1ccccc1)Cc1ccccc1 257249398 JIDMVHDNOHYCFS-KRWDZBQOSA-N 337.394 4.567 0 40 EJAB O=C(CSc1nc2ccccc2s1)Nc1ccccc1Cl 97879 DKLLESHTAJWEMF-UHFFFAOYSA-N 334.853 4.681 0 40 EJAB Cc1cccc(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)c1 1404158 FGZZNJFVDJJUFH-UHFFFAOYSA-N 328.843 4.891 0 40 EJAB CCOc1ccc(/C=C/C(=O)Oc2c(C)cccc2C)cc1OCC 1780501 KIQIPKPKCKFNJR-ACCUITESSA-N 340.419 4.720 0 40 EJAB Cc1cccc(N2C(=O)/C(=C\c3ccc(C)o3)c3ccccc3C2=O)c1 2658014 LPDHUIJDOXUVAH-MOSHPQCFSA-N 343.382 4.624 0 40 EJAB Cc1ccc(C(=O)Nc2cc(Cl)c(O)c(Cl)c2Cl)cc1 3076659 DXHPJDVPYQPDCM-UHFFFAOYSA-N 330.598 4.913 0 40 EJAB C[C@@H]1CCC[C@@H](C)N1C[C@H](O)COc1ccc(C2CCCCC2)cc1 3893480 CHJINILHYQKWHZ-OPYAIIAOSA-N 345.527 4.737 0 40 EJAB Cc1ccc(C2=NNC(c3ccc(F)cc3)=Nc3ccc(F)cc32)cc1 4129992 YOGSMHKPKZDXCU-UHFFFAOYSA-N 347.368 4.707 0 40 EJAB Cc1cc(C)c(S(=O)(=O)Oc2cc(C)c(Cl)c(C)c2)c(C)c1 5235088 QWNPHQCUFLTTPF-UHFFFAOYSA-N 338.856 4.650 0 40 EJAB CCCCOc1ccc(C(=O)Nc2nc3ccc(F)cc3s2)cc1 6072672 ZEPDGVNQDYFLRP-UHFFFAOYSA-N 344.411 4.867 0 40 EJAB COc1ccc(NC(=O)/C(=C/c2ccccc2)c2ccccc2)cc1 6145775 LFDBKAGPOPOBMP-LTGZKZEYSA-N 329.399 4.875 0 40 EJAB COc1ccc(-c2nc(NC(=O)c3ccccc3C)sc2C)cc1 6218040 SLQWZMCQMPDUJB-UHFFFAOYSA-N 338.432 4.688 0 40 EJAB COC(=O)c1sc2nc(C)nc(NC3CCCCCCC3)c2c1C 6582163 HKQIBILMHIZISP-UHFFFAOYSA-N 347.484 4.620 0 40 EJAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccccc1C(C)C 8041098 QTKNSBSUKOMBHX-QGZVFWFLSA-N 327.424 4.615 0 40 EJAB C[C@H](CCc1ccco1)Nc1nc(-c2cccnc2)nc2ccccc12 8205333 UOSZIFSKTTVZKS-OAHLLOKOSA-N 344.418 4.718 0 40 EJAB O=C(Nc1nnc(C2CC2)s1)c1ccc(-c2ccc(F)cc2)s1 8395308 NLTXNAKDUJLEDB-UHFFFAOYSA-N 345.424 4.535 0 40 EJAB Clc1cccc(Cn2c(-c3cncs3)nc3ccccc32)c1 9184838 VOGAHUUNQCLMOV-UHFFFAOYSA-N 325.824 4.862 0 40 EJAB Cc1ccccc1C(=O)Nc1ccc2c(c1)nc(C)n2-c1ccccc1 12567077 MWXXMAJDYFYAOH-UHFFFAOYSA-N 341.414 4.895 0 40 EJAB Cc1ccc(Cn2nccc2NC(=O)c2oc3ccccc3c2C)cc1 13691896 LKKYKANWOBYYJW-UHFFFAOYSA-N 345.402 4.547 0 40 EJAB c1csc(-c2nnc3sc(-c4cccc5ccccc45)nn23)c1 17172982 DARKUHDUZAOCTO-UHFFFAOYSA-N 334.429 4.735 0 40 EJAB Cc1ccc(-c2csc(-c3nnn(-c4ccccc4)c3C)n2)c(C)c1 23126575 ZRXBDKCAKXGLCA-UHFFFAOYSA-N 346.459 4.983 0 40 EJAB CC[C@@H](NC(=O)[C@H](C)Oc1ccc2ccccc2c1)c1ccccc1 30866632 FMZUSEZJDHCITG-HRAATJIYSA-N 333.431 4.875 0 40 EJAB COc1ccc2cc([C@@H](C)C(=O)Nc3ccc(F)cc3F)ccc2c1 47340138 QDHZNRSDWWFXAS-GFCCVEGCSA-N 341.357 4.869 0 40 EJAB Cc1nc2c3ccccc3nc(S[C@H](C)CCc3ccccc3)n2n1 58358122 OWZMYQKWUSVXQB-CQSZACIVSA-N 348.475 4.699 0 40 EJAB CCCOC(=O)c1cccc(NC(=O)/C=C/c2cc3ccccc3o2)c1 67340048 HXRFVMSIDGJPIA-ZHACJKMWSA-N 349.386 4.652 0 40 EJAB O=C(c1ccc2[nH]ccc2c1)N1CCCC[C@@H](c2ccc(F)cc2)C1 206671619 CUYSHRNNVBTATO-GOSISDBHSA-N 336.410 4.717 0 40 EJAB CC(C)(C)c1ccc(CCC(=O)NCCSC2CCCC2)cc1 223113974 FTUKJCGLWJUSDR-UHFFFAOYSA-N 333.541 4.709 0 40 EJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cccc(Cl)c3)N21 260788399 ZSUQXRICNMYPEL-OIISXLGYSA-N 343.883 4.714 0 40 EJAB Cc1ccc(OS(=O)(=O)c2ccc(Cl)c3ccccc23)c(C)c1 1665993157 IUQYBMYMNIBMKP-UHFFFAOYSA-N 346.835 4.878 0 40 EJAB CCn1c2ccccc2n2cc(-c3ccc(Br)cc3)nc12 90439 LWJBNIZMWMAPNB-UHFFFAOYSA-N 340.224 4.738 0 40 EJAB Brc1ccccc1Nc1ccccc1Br 398686 BJPIBICIVXDVHC-UHFFFAOYSA-N 327.019 4.955 0 40 EJAB CC[C@H](C)c1ccccc1OC[C@H](C)OC(=O)Cc1ccccc1 1583817 FCAYWXFELFRLKO-IRXDYDNUSA-N 326.436 4.753 0 40 EJAB CCN(CC)Cc1ccccc1COC(=O)c1ccc(Cl)cc1 1725104 PIQHEQSQNAJITK-UHFFFAOYSA-N 331.843 4.539 0 40 EJAB CC(=O)Nc1ccc(SCc2cccc(C(F)(F)F)c2)cc1 2630871 ZFTGFFHTDCUMSQ-UHFFFAOYSA-N 325.355 4.956 0 40 EJAB Cn1c(SC/C=C/c2ccccc2)nnc1-c1c[nH]c2ccccc12 4138336 MDLPUKWFRIYZKO-JXMROGBWSA-N 346.459 4.769 0 40 EJAB Cc1cc(C)nc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)n1 5680700 ORQZRVIFAOJNAZ-GOSISDBHSA-N 349.459 4.566 0 40 EJAB CC(C)Oc1ccc(NC(=O)[C@H](C)Oc2ccccc2Cl)cc1 8569257 XSSSZYNYZZUMEO-ZDUSSCGKSA-N 333.815 4.533 0 40 EJAB COc1ccc(NC(=O)Cc2ccc(Cl)s2)c2ccccc12 10061070 HFUIHOPIRSCTAX-UHFFFAOYSA-N 331.824 4.745 0 40 EJAB CSc1ccccc1-c1nc2cc(C(F)(F)F)ccc2c(=O)o1 12619783 XWMYEHWMMTVRAL-UHFFFAOYSA-N 337.322 4.596 0 40 EJAB FC(F)(F)c1cccc(CNc2nnc(-c3ccccc3)s2)c1 12739699 AOTNAGMVWMLSPL-UHFFFAOYSA-N 335.354 4.836 0 40 EJAB Cc1ccccc1[C@@H](C)NC(=O)Cc1csc(-c2cccs2)n1 12926186 QZZUPDIBMVLOHM-CYBMUJFWSA-N 342.489 4.600 0 40 EJAB O=C(Nc1ccc(Cl)cc1)c1ccc(OCc2cscn2)cc1 13000376 PUPIYOBDQOZSQD-UHFFFAOYSA-N 344.823 4.628 0 40 EJAB C[C@H](Oc1cccc2ccccc12)C(=O)Nc1c(F)cccc1F 13709354 AYAYAUUEKFFREH-LBPRGKRZSA-N 327.330 4.524 0 40 EJAB O=[N+]([O-])/C(Cl)=C(\Nc1ccccc1)C(Cl)=C(Cl)Cl 13739082 DLDPTVLHFVQPFO-NTMALXAHSA-N 327.982 4.669 0 40 EJAB CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(Cl)cc2)c1 14258455 AZFLZUPOKRFGJN-UHFFFAOYSA-N 337.206 4.594 0 40 EJAB COc1ccc(C(C)=O)cc1CC(=O)Nc1c(C)cccc1C(C)C 15355803 FGFWDHGYJIDZLQ-UHFFFAOYSA-N 339.435 4.511 0 40 EJAB O=C(CCCc1nc2ccccc2s1)NCc1ccccc1Cl 17116794 BTNMCAGRBIWBBD-UHFFFAOYSA-N 344.867 4.589 0 40 EJAB C[C@H]1CCCN(C(=O)c2ccc(CN3CCCc4ccccc43)cc2)C1 19932454 XRJXCGUZNWGONV-SFHVURJKSA-N 348.490 4.512 0 40 EJAB COc1cccc(N(Cc2cccs2)C(=O)c2cccs2)c1 27664304 IEPKBMLUVASWRI-UHFFFAOYSA-N 329.446 4.665 0 40 EJAB CCCCNC(=O)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 29514533 DBBTUSMECANQQV-UHFFFAOYSA-N 338.382 4.678 0 40 EJAB C[C@@H](NC(=O)c1c(F)cccc1Cl)c1ccc(C(F)(F)F)cc1 30477263 JPLYHHYVBHFLAY-SECBINFHSA-N 345.723 4.989 0 40 EJAB Cc1ccc(SCCC(=O)N(C)Cc2ccc(Cl)cc2)cc1 30756288 CQVJTUPINJBFAS-UHFFFAOYSA-N 333.884 4.789 0 40 EJAB O=C(Nc1nc(C2CC2)cs1)c1ccccc1SC(F)(F)F 31917928 VKHCQWDNPMWXKM-UHFFFAOYSA-N 344.383 4.885 0 40 EJAB CC[C@@](C)(CCN(C(C)=O)[C@@H]1CCOC(C)(C)C1)c1ccccc1 32069925 ZSQRPKOQHBLCNT-CTNGQTDRSA-N 331.500 4.551 0 40 EJAB Cc1ccc(NC(=O)c2ccc(OCC(C)C)cc2)c2cccnc12 41156785 KSNIAWXIJIOZMN-UHFFFAOYSA-N 334.419 4.830 0 40 EJAB COc1ccccc1CN(C(=O)Nc1ccccc1Cl)C1CC1 47323181 KFLOLKSQPWAHGM-UHFFFAOYSA-N 330.815 4.545 0 40 EJAB COc1ccc([C@@H]2CCCN2Cc2nc(-c3ccccc3)oc2C)cc1 48261329 YCLNOYJOBBHCIB-NRFANRHFSA-N 348.446 4.996 0 40 EJAB CCc1ccc(O[C@@H](CC)C(=O)N[C@H](CC)c2ccc(C)cc2)cc1 59351811 VGVZRPRSCLSJEW-RTWAWAEBSA-N 339.479 4.982 0 40 EJAB CCc1c(-c2csc(Cc3csc(C)n3)n2)[nH]c(C)c1C(C)=O 63629705 HHDMZYBLINKOFA-UHFFFAOYSA-N 345.493 4.567 0 40 EJAB CCc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccc(C)c(C)c2)cc1 78458002 KTRXXPZFYNENKG-IRXDYDNUSA-N 325.452 4.511 0 40 EJAB C[C@H](NCC(C)(C)c1ccccc1Br)c1nccs1 90590774 NDFQBNIOFKLGCM-NSHDSACASA-N 339.302 4.534 0 40 EJAB O=C(/C=C/c1ccsc1)N(CCc1cccs1)Cc1ccoc1 90612372 GERRQJBJEVJKOW-ONEGZZNKSA-N 343.473 4.687 0 40 EJAB COc1ccccc1[C@H](C)N[C@H](c1ccncc1)c1ccc(F)cc1 96477233 KQRAZMLBPRLNLZ-BTYIYWSLSA-N 336.410 4.670 0 40 EJAB CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)/C=C/c1cccs1 97000063 SJFVMQPDMBEDSD-PKMDAXGDSA-N 325.477 4.946 0 40 EJAB CC[C@H](NC(=O)COc1ccc(C)cc1C)c1ccc(C)cc1C 222829998 JCOFIRDXUQHPCY-IBGZPJMESA-N 325.452 4.567 0 40 EJAB Cc1cccc(O[C@H](C)C(=O)NCc2cccc3ccccc23)c1C 222872031 AHUITYFUSRZGMB-QGZVFWFLSA-N 333.431 4.540 0 40 EJAB COC(=O)c1ccc(CN2c3cc(C)c(C)cc3[C@@H](C)CC2(C)C)o1 223231685 IJDRTTKPVWAKHJ-HNNXBMFYSA-N 341.451 4.975 0 40 EJAB COc1ccc(C(=O)NC(C)(C)C)cc1CSc1ccccc1 224321229 OIWMVDCBQJBCAF-UHFFFAOYSA-N 329.465 4.516 0 40 EJAB Cc1ccc(O[C@H](Cc2ccccc2Oc2ccccc2)C(=O)O)cc1 225138455 VHLYPEKIHLIYRJ-OAQYLSRUSA-N 348.398 4.862 0 40 EJAB CCCOc1ccc(NC(=O)[C@](C)(OCCC)C2CC2)cc1Cl 225674997 KCFHDXXLSOBIDO-GOSISDBHSA-N 339.863 4.663 0 40 EJAB COc1ncc(NC(=O)C2(c3cccc(C)c3)CCCCC2)cc1C 225866514 SHVZVIWYSBPZQS-UHFFFAOYSA-N 338.451 4.548 0 40 EJAB CC[C@]1(O)CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](O)CC[C@@H]4[C@H]3CC[C@@]2(C)C1 245239631 LGGIZFYVYSKSFW-NUFRDJDGSA-N 334.544 4.921 0 40 EJAB Cc1ccc2nc([C@H]3CCCN3c3ccc(C(F)(F)F)cn3)[nH]c2c1 577691328 XCSQJFMCGIMNDW-OAHLLOKOSA-N 346.356 4.627 0 40 EJAB Cc1ccc(Cn2c(COc3ccccc3)nc3ccccc32)cc1 118484 KLBWWPXFSVEXPV-UHFFFAOYSA-N 328.415 4.972 0 40 EJAB O=C(O)CCc1ccc(-c2ccc(Cl)cc2)n1-c1cccc(O)c1 576549 LZBUOYIVFTZAAQ-UHFFFAOYSA-N 341.794 4.521 0 40 EJAB CCN(c1ccccc1)c1nc(Cl)nc2c1cnn2-c1ccccc1 1718488 OGXLONGZOIYSPJ-UHFFFAOYSA-N 349.825 4.627 0 40 EJAB C[C@@H](C(=O)c1c[nH]c2ccccc12)N1CCC(Cc2ccccc2)CC1 2209061 LJZRIKYFPLWKSF-KRWDZBQOSA-N 346.474 4.694 0 40 EJAB COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc2ncsc2c1 2630607 SOCMRPXZNZKAHH-UHFFFAOYSA-N 340.448 4.855 0 40 EJAB Cc1ccc(C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)s1 3238387 BGFNKCPLAJUNCU-UHFFFAOYSA-N 336.412 4.763 0 40 EJAB COc1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc(OC)c1C 3402602 MPIHNVQLBIDMKZ-UHFFFAOYSA-N 340.206 4.571 0 40 EJAB CSc1ccccc1C(=O)Nc1nc2c(C)ccc(C)c2s1 4517455 CRERAWMSYAROME-UHFFFAOYSA-N 328.462 4.887 0 40 EJAB C/C=C\c1cc(OC)c2c(c1)[C@@H](C)[C@@H](c1ccc(O)c(OC)c1)O2 4683185 ITDOFWOJEDZPCF-RQHAGREOSA-N 326.392 4.680 0 40 EJAB Cc1ccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccc(C)cc2)cc1 4854536 DLHYOBQEWUWQAZ-NRFANRHFSA-N 345.446 4.742 0 40 EJAB CCc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 5471105 HRDSXAOFXUCQAY-LLVKDONJSA-N 338.234 4.962 0 40 EJAB CCCC[C@@H](CC)CNC(=O)C(C)(C)Oc1ccc(Cl)cc1 6310772 RZOIIDSMYKCXHG-CQSZACIVSA-N 325.880 4.830 0 40 EJAB Cc1ccc(Cl)cc1NC(=O)Cc1csc(-c2ccccc2)n1 7406683 HQWXNWANXNBADL-UHFFFAOYSA-N 342.851 4.953 0 40 EJAB Cc1ccc(C)c(-c2csc(NC(=O)Cc3cccs3)n2)c1 7723605 BULKQMFGYXTUSD-UHFFFAOYSA-N 328.462 4.670 0 40 EJAB CCc1cccc(CC)c1NC(=O)CN1CCC[C@H]1c1cccs1 8320458 VEEGRTUBLRXOQL-KRWDZBQOSA-N 342.508 4.649 0 40 EJAB Cc1ccccc1CSc1nccn2nc(-c3ccccc3)cc12 16842519 CWSKVRLJXHXXML-UHFFFAOYSA-N 331.444 4.997 0 40 EJAB O=C(CCc1ccc(F)cc1)NC(c1ccccc1)c1ccccc1 18116491 ZHNJKQPJFXPWOW-UHFFFAOYSA-N 333.406 4.664 0 40 EJAB OC1=Nc2n[nH]cc2[C@@H](c2cccc(Oc3ccccc3)c2)SC1 20729157 BRXJDMNXCBSCJS-QGZVFWFLSA-N 337.404 4.626 0 40 EJAB Cc1cccc(C(C)C)c1NC(=O)CN(C)[C@H]1CCc2ccccc21 29483166 QSELXJPKDKYPSU-FQEVSTJZSA-N 336.479 4.676 0 40 EJAB Cc1cc(NC(=O)CC(C)C)cc(-c2nc3ccccc3s2)c1O 30826661 GBBNPZPFBBNRBO-UHFFFAOYSA-N 340.448 4.962 0 40 EJAB CSc1nnc(CN(C)c2ccc(Oc3ccccc3)cc2)s1 60366506 BCZTXZMZHFQGBK-UHFFFAOYSA-N 343.477 4.689 0 40 EJAB CC(C)c1cc(C(=O)Nc2ccc3cc[nH]c3c2)n(-c2ccccc2)n1 71289147 BWXGPWAIYUAKGZ-UHFFFAOYSA-N 344.418 4.729 0 40 EJAB CCCC[C@@]1(CCN(Cc2ccco2)C(C)=O)CCOC(C)(C)C1 96115750 STCTTYITVSZJQX-HXUWFJFHSA-N 335.488 4.784 0 40 EJAB biogenic Cc1ccc(SCCC(=O)N[C@H](C)c2cc(C)ccc2C)cc1 113932777 WEGYBJKQOOVXPB-QGZVFWFLSA-N 327.493 4.971 0 40 EJAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H](C)c1ccc(C)cc1 113970665 SMNGODIKVDTTKE-DNVCBOLYSA-N 345.870 4.992 0 40 EJAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(F)c(Cl)c1 222631867 GLMWNYBJAKTBDD-LBPRGKRZSA-N 347.817 4.764 0 40 EJAB CCCCNC(=O)c1ccc(OCC)c(CSc2ccccc2)c1 224648759 XUFXCBDKDFBXDF-UHFFFAOYSA-N 343.492 4.908 0 40 EJAB COc1ccc2c(c1)CCC[C@@H]2NC(=O)C1(c2ccccc2)CCCC1 225594593 ILDYPJBERZWTTN-NRFANRHFSA-N 349.474 4.701 0 40 EJAB COc1cc2c(cc1OC)[C@H](CCc1ccc(Cl)cc1)N(C)CC2 485 YBCPYHQFUMNOJG-SFHVURJKSA-N 345.870 4.519 0 40 EJAB in-man O=C(O)COc1ccccc1[C@H]1O[C@H]2CCCC[C@H]2C2=CCCC[C@@H]21 526407 IUZPOFVYQIAPHI-UGJIMAENSA-N 342.435 4.507 0 40 EJAB O=C(Nc1nc2c(s1)CCCCCCCCCC2)C(F)(F)F 1235455 RWRVWYBUAZYCTE-UHFFFAOYSA-N 334.407 4.863 0 40 EJAB Cn1c(SCc2cccc(F)c2)nnc1-c1cccc(Cl)c1 2239587 BVVKRXYFQPEMLI-UHFFFAOYSA-N 333.819 4.567 0 40 EJAB Cc1nc2ccc(NC(=O)COc3ccc4ccccc4c3)cc2s1 2651232 BWDOHWCIPONACX-UHFFFAOYSA-N 348.427 4.775 0 40 EJAB COc1c(-c2ccccc2)sc2nc(-c3ccccc3)cc(C)[n+]12 3074279 RSHVFYDENUOKKI-UHFFFAOYSA-N 333.436 4.533 0 40 EJAB CC1CCN(CCCOc2ccc(Br)cc2Cl)CC1 3247067 PDSHQZBTONOLJP-UHFFFAOYSA-N 346.696 4.603 0 40 EJAB FC(F)Oc1ccccc1NC(=S)Nc1ccccc1Cl 3347635 PQQKOWLBWJVSLI-UHFFFAOYSA-N 328.771 4.750 0 40 EJAB FC(F)(F)c1nc2n(n1)C1=C(CCCCC1)C1(CCCCCC1)N2 3348778 URSVMNJBDBNJKG-UHFFFAOYSA-N 340.393 4.991 0 40 EJAB CC[C@@H](C(=O)O[C@H]1C[C@H](C)CC[C@@H]1C(C)C)C(=O)c1ccccc1 3846433 DMADGBHCTZPDTK-OWYHZJEWSA-N 330.468 4.900 0 40 EJAB COc1ccc(N(Cc2ccccc2)C(=O)c2ccc(F)cc2)cc1 4091428 OJYCDIWTYIBDGL-UHFFFAOYSA-N 335.378 4.681 0 40 EJAB O=C(CCN1CC[C@H](c2ccccc2)C1)c1cccc2ccccc12 4122113 NYFQBCCASKQTBR-FQEVSTJZSA-N 329.443 4.902 0 40 EJAB CCCCC(=O)N(CCCC)c1nnc(-c2cccc(F)c2)s1 4982562 JQLZYKZBNPHKAJ-UHFFFAOYSA-N 335.448 4.668 0 40 EJAB Cc1ccc(-c2csc(NC(=O)Cc3ccc(F)cc3)n2)c(C)c1 5268294 VBUHHZNFJOVBMN-UHFFFAOYSA-N 340.423 4.747 0 40 EJAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc2c(s1)CCCC2 6078122 TYJMWSFAXMWKAX-UHFFFAOYSA-N 341.354 4.778 0 40 EJAB CCCCC1=N[C@H]2Sc3c(OC(C)C)ncnc3[C@@H]2C2=C1CCC2 6309828 WQNWRPQOFRRICC-KXBFYZLASA-N 343.496 4.905 0 40 EJAB Cc1cc(OCC(=O)N[C@H](C)c2cccc(Cl)c2)ccc1Cl 6654241 WQYWEMDGNBDHAP-GFCCVEGCSA-N 338.234 4.558 0 40 EJAB O=C(CCc1c[nH]c2ccccc12)OCc1cccc(C(F)(F)F)c1 8650265 HRRDNEDSHSOIGX-UHFFFAOYSA-N 347.336 4.863 0 40 EJAB CSc1ccc(NC(=O)Cc2csc(-c3ccsc3)n2)cc1 12039745 CJZDSRDXEFKKDE-UHFFFAOYSA-N 346.502 4.775 0 40 EJAB C[C@H](c1ccco1)N(C(=O)c1cc2ccccc2o1)c1ccccn1 12527939 NQYPICDORLAIIK-CQSZACIVSA-N 332.359 4.829 0 40 EJAB O=C(Nc1ccc(F)cc1)N1CCC(CCc2ccccc2)CC1 12797023 FCFUYEBZVZEBPB-UHFFFAOYSA-N 326.415 4.702 0 40 EJAB CCn1c(Cc2cccs2)nnc1SCc1ccccc1Cl 14112933 BNWDCXHHZGWIJZ-UHFFFAOYSA-N 349.912 4.896 0 40 EJAB Cc1cc2oc(-c3ccccc3)c/c(=N\[C@H](C(=O)O)C(C)C)c2cc1C 19794077 OCLWLBCRVVJIEH-XJQMLFBMSA-N 349.430 4.727 0 40 EJAB Cc1cc(C)cc(C(=O)Nc2cc(C(=O)O)c(Cl)cc2Cl)c1 20138791 WCCRKHKJKFKXHK-UHFFFAOYSA-N 338.190 4.561 0 40 EJAB Clc1cccc(CSc2nnc(-c3cccnc3)n2C2CC2)c1 22988512 YXLSQLSZIDRGRX-UHFFFAOYSA-N 342.855 4.621 0 40 EJAB O=C(N[C@@H]1CCc2ccccc21)c1ccccc1SC(F)(F)F 48355583 VYIHATPQFMIIJD-CQSZACIVSA-N 337.366 4.716 0 40 EJAB O=C(OCCCc1ccncc1)c1sccc1-c1ccc(F)cc1 62676955 HVZBLPTZTMWFNQ-UHFFFAOYSA-N 341.407 4.739 0 40 EJAB CS[C@@H](C)C(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)o1 84098545 TVKBMZNXQWNUGM-ZDUSSCGKSA-N 338.432 4.699 0 40 EJAB Cc1nc(CCCC(=O)Nc2cc(C(C)C)c(O)cc2C)cs1 88465355 ZJGFDUQOYNBBTR-UHFFFAOYSA-N 332.469 4.550 0 40 EJAB COc1cc(C=O)c(Cl)cc1OCc1ccc(F)cc1Cl 95094970 NOWGJIJZQHMOGE-UHFFFAOYSA-N 329.154 4.533 0 40 EJAB Cc1cccc(N(C)C(=O)c2cnc(-c3ccsc3)s2)c1C 95958519 PBWBFPWJQAREPK-UHFFFAOYSA-N 328.462 4.765 0 40 EJAB CC(C)n1c(C(=O)Nc2cccc(O)c2)cc2c1c1ccccc1n2C 96146292 PCSOFNVZMJMYOH-UHFFFAOYSA-N 347.418 4.672 0 40 EJAB O=C(CCc1ccccc1Cl)Nc1ccc(C(F)(F)F)cc1 96655270 MYTPGZFMHCADRK-UHFFFAOYSA-N 327.733 4.930 0 40 EJAB C[C@H]1CCCCN1Cc1cc(F)cc2c1O[C@@H](c1ccccc1)OC2 110534767 QPCFTGNGVCQFQN-BTYIYWSLSA-N 341.426 4.808 0 40 EJAB Cc1ccc(NC(=O)c2cnc(-c3ccc(Cl)cc3)nc2)cc1C 222602325 HHEVLIYGQZDHOD-UHFFFAOYSA-N 337.810 4.666 0 40 EJAB CCCCO[C@@H](Cc1cc(Cl)ccc1Oc1ccccc1)C(=O)O 225135299 MOOOWZUJCLQXJM-SFHVURJKSA-N 348.826 4.945 0 40 EJAB C[C@@]12CC[C@@H]3C[C@]1(C(=O)Nc1c(Cl)cccc1Cl)OC[C@]32C 245241650 MCHMORSMZAVMGJ-PEWLAIEXSA-N 340.250 4.527 0 40 EJAB CCOc1cc(Cl)ccc1-c1ccc(C(=O)O)c(CC(C)C)n1 585265969 WENASADQXVMXOB-UHFFFAOYSA-N 333.815 4.697 0 40 EJAB Cc1nc(-c2ccccc2)c(C(=O)Nc2cccc3c2ccn3C)s1 588892220 QOWDCFKCDSNFMT-UHFFFAOYSA-N 347.443 4.863 0 40 EJAB Clc1cccc(C2CCN(Cc3ccnc4[nH]ccc34)CC2)c1 1142871636 QIATUWXXNSTGIC-UHFFFAOYSA-N 325.843 4.596 0 40 EJAB CCOc1ccc(CC(=O)Nc2c(C)cc(C)cc2C)cc1OCC 38599 YVNGISBIHKRYFZ-UHFFFAOYSA-N 341.451 4.590 0 40 EJAB O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1ccc(F)c(F)c1 175349 QEUPRMIBGIXENK-UHFFFAOYSA-N 349.340 4.760 0 40 EJAB Oc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)cc1 319971 ZJTSWZBWWAXWJL-RBBKRZOGSA-N 342.398 4.635 0 40 EJAB Clc1ccccc1-c1nc2sc3c(c2c2nncn12)CCCC3 554572 XALJLKIRDICSNC-UHFFFAOYSA-N 340.839 4.538 0 40 EJAB O=C(OCc1ccc(Cl)c(Cl)c1)c1ccc2ccccc2n1 2445418 QZEZUEFZCFOAKD-UHFFFAOYSA-N 332.186 4.899 0 40 EJAB C[C@H](Cc1cccs1)NC(=O)c1cccc(Oc2ccccc2)c1 3211550 DGHUTUBPJDEDLQ-OAHLLOKOSA-N 337.444 4.901 0 40 EJAB Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccccc3)c2)c1C 4696241 LDWFBRVYUYHMAA-UHFFFAOYSA-N 344.414 4.808 0 40 EJAB Cc1nc(-c2cccs2)sc1C(=O)Nc1ccc2c(c1)CCC2 5405414 XDDWVHFVVFGQDU-UHFFFAOYSA-N 340.473 4.921 0 40 EJAB Cc1ccccc1CSc1nc2nc(C)c(Br)cc2[nH]1 5454346 NELZPBIRQYBSKM-UHFFFAOYSA-N 348.269 4.630 0 40 EJAB CCOc1ccccc1OCCCC(=O)Nc1ccc(Cl)cc1C 5577922 UQGDALPEGVPHIX-UHFFFAOYSA-N 347.842 4.845 0 40 EJAB CSc1cccc(N[C@H](C)C(=O)Nc2ccc(F)cc2Cl)c1 5689605 XFUUUSJNNFXPLS-SNVBAGLBSA-N 338.835 4.640 0 40 EJAB Cc1cccc(-c2nnc(SCc3cc(-c4ccccc4)on3)o2)c1 8211231 DYLJYOYMKWWDSL-UHFFFAOYSA-N 349.415 4.992 0 40 EJAB C[C@@H](NC(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1)c1ccc(F)cc1 9758006 TXICMUBBFALAJD-KZULUSFZSA-N 346.833 4.991 0 40 EJAB O=C(NCC1(c2ccccc2)CCC1)c1cc(Cl)ccc1Cl 10221323 WDIYXDBUJLXYSI-UHFFFAOYSA-N 334.246 4.845 0 40 EJAB Cc1ccc(NC(=O)NCCc2cccc3cccnc23)cc1Cl 11563329 WRIOHAHZXHPXJI-UHFFFAOYSA-N 339.826 4.561 0 40 EJAB Cc1ccc(NC(=O)CCc2ncc(-c3ccc(C)c(C)c3)o2)cc1 12850613 IYRKWJNUQQFDMH-UHFFFAOYSA-N 334.419 4.838 0 40 EJAB O=C(Oc1ccc(Sc2ccc(O)cc2)cc1)c1cccs1 17154575 QHYBDBNREXOMRL-UHFFFAOYSA-N 328.414 4.824 0 40 EJAB CCc1ccccc1O[C@H](C)C(=O)Nc1c(CC)cccc1CC 20035408 MZXIPGMJFHSDIU-OAHLLOKOSA-N 325.452 4.780 0 40 EJAB Cc1cc(C(=O)O)ccc1NC(=O)/C=C/c1ccc(-c2ccccc2)o1 20145273 JHBITLAHWYRWKA-FMIVXFBMSA-N 347.370 4.605 0 40 EJAB COc1ccc([C@H]2CCCCCN2C(=O)c2cc(F)cc(F)c2)cc1 24392482 BKKGSNREAACMSV-LJQANCHMSA-N 345.389 4.731 0 40 EJAB Cc1cc(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)n(C2CCCC2)n1 28240824 BHYFNOZKZLGBFS-UHFFFAOYSA-N 336.439 4.657 0 40 EJAB COC(=O)c1ccc([C@H](C)SC2=Nc3ccccc3CS2)o1 31847937 UJNABEZRZFUPKO-JTQLQIEISA-N 333.434 4.795 0 40 EJAB Cn1c(CN2CCC[C@H]2c2ccsc2)nc2cc(Cl)ccc21 40154259 JRRVONSUTADUCQ-HNNXBMFYSA-N 331.872 4.625 0 40 EJAB Cc1ccoc1C(=O)N[C@H](c1ccc(Cl)cc1)c1cccs1 41135462 NOYWBPUUDHIFPA-OAHLLOKOSA-N 331.824 4.822 0 40 EJAB Nc1cc(Nc2ccc(Cl)c(Cl)c2)nc(-c2ccc(F)cc2)n1 49467948 BFVLZCKCONECDE-UHFFFAOYSA-N 349.196 4.915 0 40 EJAB O=C(Nc1nc(-c2ccccn2)cs1)Nc1ccccc1Cl 56905994 MSVPEYWWHKKGLY-UHFFFAOYSA-N 330.800 4.503 0 40 EJAB Clc1ccccc1-c1nc(CSc2nccn2C2CC2)co1 58357680 RBMKZVBOQDVSOC-UHFFFAOYSA-N 331.828 4.819 0 40 EJAB CCc1ccc(-c2ccc(C(=O)N(C)c3ccc(Cl)cn3)o2)cc1 74950250 NTWGODOHAGLWFY-UHFFFAOYSA-N 340.810 4.834 0 40 EJAB CCOCc1ccccc1NC(=O)N1CCCCC[C@@H]1c1ccco1 77282293 SEHUDSHUZNAMAT-GOSISDBHSA-N 342.439 4.965 0 40 EJAB C[C@@H](c1ccc(F)c(F)c1)S(=O)(=O)[C@H](C)c1ccc(Cl)cc1 77647158 IQUCZNQNJVLTMM-MNOVXSKESA-N 344.810 4.855 0 40 EJAB C[C@@H]1SCCN(C(=O)Nc2ccccc2CCC(F)(F)F)[C@H]1C 89920031 JLAHWJFNBRLTQM-RYUDHWBXSA-N 346.418 4.539 0 40 EJAB CC(C)(C)c1nnc(CSCc2coc(-c3cccc(F)c3)n2)o1 95412882 PTKAUXGDDQKECV-UHFFFAOYSA-N 347.415 4.595 0 40 EJAB CC(C)c1ccc([C@H](C)NCc2noc(Cc3ccccc3)n2)cc1 95957522 ZUIHVBHSIUNQLF-INIZCTEOSA-N 335.451 4.635 0 40 EJAB Cc1ccc(NC(=O)OC(C)(C)C)cc1NCc1nc(C)c(C)o1 96483970 HEAOGYGSBJEELU-UHFFFAOYSA-N 331.416 4.559 0 40 EJAB CC1(C)CC2=Nc3nonc3N[C@@H](c3ccccc3Cl)C2=C(O)C1 102754608 SKZOZRQWHVTYDG-AWEZNQCLSA-N 344.802 4.594 0 40 EJAB CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 118924235 ZOENOTDRHSJUPM-WZYQIZRJSA-N 346.511 4.632 0 40 EJAB COc1ccccc1[C@H]1Nc2c(C(=O)O)cccc2[C@@H]2[C@@H]1[C@H]1CC[C@@H]2C1 169702390 CNVSMRIFPOSVDX-BOVZOARMSA-N 349.430 4.690 0 40 EJAB Cc1ccc(SCCC(=O)NCc2ccc3ccccc3c2)cc1 222750516 USSZUZUVQDNXPO-UHFFFAOYSA-N 335.472 4.947 0 40 EJAB CSc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(Cl)c1 223435021 ULGFWIFIGSEQJA-UHFFFAOYSA-N 348.276 4.516 0 40 EJAB Cc1nc(NC(=S)NC2CCCCCC2)c(Cl)cc1Cl 224040128 UNGKUUADUDLAFO-UHFFFAOYSA-N 332.300 4.706 0 40 EJAB Cc1cccc(CSCCCNC(=S)Nc2ccc(F)cc2)c1 225603369 QOPWBKTVBDKDCA-UHFFFAOYSA-N 348.512 4.744 0 40 EJAB O=C(CCc1cccc(Cl)c1)N(CCc1cccs1)C1CC1 225617647 WJIMRKZHVFSRJP-UHFFFAOYSA-N 333.884 4.568 0 40 EJAB CCOc1ccc(NC(=O)[C@](C)(CC(C)C)OC)c2ccccc12 225794118 DPIVAMMKKAEMLN-FQEVSTJZSA-N 329.440 4.628 0 40 EJAB Cc1cc(C)c(NC(=O)c2cc3cccc(Cl)c3oc2=O)c(C)c1 226040731 MTJOOFKYGFZILE-UHFFFAOYSA-N 341.794 4.624 0 40 EJAB O=C(Cc1ccccc1Cl)NCc1cc(-c2ccco2)cs1 1775968344 CKNRFLFYNOWXFU-UHFFFAOYSA-N 331.824 4.520 0 40 EJAB COC(=O)c1ccc(N[C@@H](C(=O)c2ccccc2)c2ccccc2)cc1 151239 MSCBFOLLGARCIR-HXUWFJFHSA-N 345.398 4.509 0 40 EJAB CCOC(=O)c1c(CC(C)C)csc1NC(=O)c1cccc(C)c1 348375 NFNJRNKTXLFBFS-UHFFFAOYSA-N 345.464 4.684 0 40 EJAB Cc1ccc([C@@H](CC(=O)N2CCCCC2)c2ccccc2)c(O)c1C 527967 ULGZKYACZNIZIH-FQEVSTJZSA-N 337.463 4.544 0 40 EJAB Cc1cc(C)c2c(c1)-c1cc(C)nn1[C@@H](c1c[nH]c3ccccc13)N2 818039 VRKMASSCSZJZMM-NRFANRHFSA-N 328.419 4.929 0 40 EJAB OC1=Nc2ccc(Cl)cc2[C@H](c2ccccc2)[C@@H]1N1CCCCC1 1250171 RFJOHFMXEIPMJX-OALUTQOASA-N 340.854 4.928 0 40 EJAB O=C(CSCc1ccccc1)Nc1cccc(C(F)(F)F)c1 2625186 OYGWTGWOEFHHDE-UHFFFAOYSA-N 325.355 4.577 0 40 EJAB CC(C)CSc1nnc(-c2ccccc2F)n1Cc1ccccc1 3368872 ZWMVPNRCQGJXIR-UHFFFAOYSA-N 341.455 4.881 0 40 EJAB COc1ccc([C@@H](CCN(Cc2ccccc2)C(C)=O)C(C)C)cc1 4042851 YDKXNFONMNHVIV-QFIPXVFZSA-N 339.479 4.874 0 40 EJAB biogenic Cc1cc(C)c(-c2nnc(NC(=O)c3ccc(F)cc3)s2)c(C)c1 4070392 XLRSMMHXGYXDAP-UHFFFAOYSA-N 341.411 4.522 0 40 EJAB Cc1ccc2nc(SCC(=O)Nc3ccccc3C)c(C)cc2c1 4128017 DCUKBXGTYWAARK-UHFFFAOYSA-N 336.460 4.891 0 40 EJAB Cc1cc(-c2ccccc2NC(=O)C(F)(F)F)nc2ccccc12 4710212 GEJLBAACDVTWOF-UHFFFAOYSA-N 330.309 4.711 0 40 EJAB Cc1ccc(C(=O)[C@H](Sc2nncs2)c2ccc(C)cc2)cc1 5054571 MZPOTUARUWOSJL-QGZVFWFLSA-N 340.473 4.871 0 40 EJAB Cc1ccc(NC(=O)Cc2ccc(F)cc2)c(C(=O)c2ccccc2)c1 5268323 MUNSEPSNGNATGG-UHFFFAOYSA-N 347.389 4.546 0 40 EJAB O=C(c1ccc(F)cc1)N(Cc1cccc(Cl)c1)Cc1ccco1 6810646 UYXPPMXTLYUQBY-UHFFFAOYSA-N 343.785 4.915 0 40 EJAB O=C(c1cc(C2CC2)nn1-c1ccccc1)N1CCC[C@H]2CCCC[C@H]21 7780519 IBEAOTZZIAVUMH-YLJYHZDGSA-N 349.478 4.545 0 40 EJAB COc1ccc2nccc(/C=C/c3ccnc4ccc(OC)cc34)c2c1 8581398 OLBILFPLIQNULT-ONEGZZNKSA-N 342.398 4.971 0 40 EJAB Cc1nc2ccc(NC(=O)c3nc(-c4ccccc4)oc3C)cc2s1 9909043 UAPAPYIPWAOTGG-UHFFFAOYSA-N 349.415 4.820 0 40 EJAB COc1cccc2c1N(C(=O)c1ccccc1F)C(C)(C)C=C2C 10157737 ARXIWQJMVDANPV-UHFFFAOYSA-N 325.383 4.677 0 40 EJAB Cc1cccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccccc2)c1 13810035 IYZMYJOKUORQJH-CCEZHUSRSA-N 338.410 4.865 0 40 EJAB O=C(Nc1ccc(F)c(F)c1F)c1ccccc1Cc1ccccc1 15002971 FPSSUUKSJJOOHB-UHFFFAOYSA-N 341.332 4.947 0 40 EJAB CCOP(=O)(OCC)[C@@H](/C=C(\Cl)c1ccc(C)cc1)N(C)C 32237485 VPZNSTDXHLKBCO-IRVMHKCDSA-N 345.807 4.729 0 40 EJAB CC(C)(C)c1nc2cc(NC(=O)c3ccc(F)cc3Cl)ccc2[nH]1 32465294 TZNQEVVBWUYQQD-UHFFFAOYSA-N 345.805 4.905 0 40 EJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@H](C)c1ccc(C)cc1C 44850458 ZETYMKLZHOQLMG-QUCCMNQESA-N 339.479 4.955 0 40 EJAB Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)c(O)c1 48265082 FHJFXUQHTUBGEA-MRXNPFEDSA-N 347.414 4.774 0 40 EJAB CCn1c(S[C@@H](C)c2cc(F)ccc2F)nc2ccccc2c1=O 58333190 AJXWHIZSNNUFFD-NSHDSACASA-N 346.402 4.548 0 40 EJAB Cc1cc2nc(N[C@@H]3CCC[C@H](C(F)(F)F)C3)c3ccccc3n2n1 89610778 XUQDFFJVAWXULZ-QWHCGFSZSA-N 348.372 4.724 0 40 EJAB Cc1ccc(CN2CCC3(CC2)CCN(Cc2cccs2)C3)s1 96046529 PPYABOQHCWTMFW-UHFFFAOYSA-N 346.565 4.606 0 40 EJAB CC1=NN(c2ccccc2)C(=O)[C@@H]1C(c1ccccc1)c1ccccc1 102572621 LUTURLOKPRAOAC-NRFANRHFSA-N 340.426 4.857 0 40 EJAB CC1(C)[C@H]2C[C@H]1CC[C@H]2CCOC(=O)COc1ccc(Cl)cc1 104176561 RTFSEUXOASYQQB-VBQJREDUSA-N 336.859 4.724 0 40 EJAB COC(=O)c1ccc(CN2c3c(C)cccc3C(C)=CC2(C)C)o1 223230569 BVZSMBOFSYBMJL-UHFFFAOYSA-N 325.408 4.577 0 40 EJAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCCCc2ccccc2)c1 224848026 SVAOFSGXDZMEPK-SFHVURJKSA-N 339.479 4.635 0 40 EJAB C[C@@H](CCc1ccccc1)NC(=S)Nc1ccc2sncc2c1 225173357 ODFOPWJJAVBGFP-ZDUSSCGKSA-N 341.505 4.604 0 40 EJAB CCc1nc2ccc(NC(=S)N[C@@H](C)c3ccccc3)cc2s1 225207007 GSUZSMGSATVEQD-LBPRGKRZSA-N 341.505 4.906 0 40 EJAB CC[C@H](NC(=O)CCc1ccc(OC)cc1)c1ccc(C)cc1C 225317953 KVENPXPIOKJFML-FQEVSTJZSA-N 325.452 4.512 0 40 EJAB CCCCOc1ccc(NC(=O)[C@]2(OCC)CCC[C@@H](C)C2)cc1 225712968 FNZLKBILJXGZRL-UZLBHIALSA-N 333.472 4.789 0 40 EJAB O=C(NC(c1ccccc1)c1ccccc1)N1CCC(=C2CC2)CC1 238931144 VCFYVGQVWLFNDA-UHFFFAOYSA-N 332.447 4.672 0 40 EJAB Cc1ccc(-n2c(C)nnc2SCc2ccc(F)cc2)cc1C 409100213 UMQPNAUQUFGFHN-UHFFFAOYSA-N 327.428 4.624 0 40 EJAB FC(F)(F)c1cc(Cl)cc(Cl)c1I 575694502 MFTFCEXFGOKBJO-UHFFFAOYSA-N 340.897 4.617 0 40 EJAB O=C(N1[C@H]2CC[C@H]1CC(=C1CC1)C2)C1(c2cccs2)CCCC1 618257423 VYBKHJUGRVGZCZ-IRXDYDNUSA-N 327.493 4.804 0 40 EJAB Cc1ccc2cc(C(=O)N[C@@H](C)c3cccc(C(F)(F)F)c3)[nH]c2c1 1538495051 HYAIMACAJPSKMI-LBPRGKRZSA-N 346.352 4.986 0 40 EJAB CCN(CC)CCCNc1c2c(nc3ccc(Cl)cc13)CCCC2 1640922 FLVWGDXSNRVCLL-UHFFFAOYSA-N 345.918 4.911 0 40 EJAB CCO[C@@H]1CC(C)(C)c2c(-c3ccccc3)nn(-c3ccccc3)c2O1 2024357 GMSJFVWJHZNWER-SFHVURJKSA-N 348.446 4.962 0 40 EJAB Cc1cc(C)c2c(n1)nn1c(Nc3cccc(Cl)c3)cc(C)nc21 2325538 YSKKBNIMPRSHIT-UHFFFAOYSA-N 337.814 4.600 0 40 EJAB CCN(CC)c1ccc(C(=O)OCc2c(F)cccc2Cl)cc1 3370815 HJBUBTRAQVHFFF-UHFFFAOYSA-N 335.806 4.682 0 40 EJAB Cc1ccc(OCC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 4679746 RPKKUVOEHPPFKF-UHFFFAOYSA-N 345.442 4.603 0 40 EJAB COc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(C)N(C)C 4900233 IXZPZMBLHXZOLG-LLVBAIKDSA-N 327.512 4.872 0 40 EJAB Cc1nc(NC(=O)CSc2ccccc2)sc1-c1ccccc1 4932785 ZRWPQGBLYWVROM-UHFFFAOYSA-N 340.473 4.849 0 40 EJAB O=C(NC1(c2ccc(F)cc2)CCCC1)c1ccc2ncccc2c1 4933323 JMCWQSZTZAVHPF-UHFFFAOYSA-N 334.394 4.573 0 40 EJAB CCc1ccc(OCCn2c([C@@H]3CCCO3)nc3ccccc32)cc1 5235824 FJWOJEGNUIUGNY-FQEVSTJZSA-N 336.435 4.529 0 40 EJAB CC(C)(C)C(=O)Nc1nc(CC23CC4CC(CC(C4)C2)C3)cs1 6052810 SVVFQDWRSGBZSS-UHFFFAOYSA-N 332.513 4.887 0 40 EJAB CCOc1ccc(NC(=O)C[C@H](C)Cc2ccc(Cl)cc2)cc1 6727239 CZQKAWQCGGEOBC-CQSZACIVSA-N 331.843 4.946 0 40 EJAB C[C@H](SCc1ccc(F)cc1)C(=O)Nc1ccc2c(c1)CCC2 9516618 QFEOALFATAGPCR-ZDUSSCGKSA-N 329.440 4.575 0 40 EJAB CCOc1ccc(CNC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1 10448472 OWGMXQJEBONHFQ-ZDUSSCGKSA-N 349.883 4.536 0 40 EJAB Cc1ccc(NC(=O)c2occc2COc2ccccc2)cc1F 11428724 IPIHYDNVPSYWFL-UHFFFAOYSA-N 325.339 4.558 0 40 EJAB CCCCCN(CCCCC)C(=S)Nc1ccc2c(c1)OCO2 13824640 SSBWOIXJQXFUAT-UHFFFAOYSA-N 336.501 4.795 0 40 EJAB Cc1cc2c(cc1C)C(/C=C(\N)C(Cl)(Cl)Cl)=NC(C)(C)C2 16956903 LTWGHXGCZSBBMI-AUWJEWJLSA-N 345.701 4.640 0 40 EJAB Cc1nn(C)c2nc(C34CC5CC(CC(C5)C3)C4)cc(C(F)(F)F)c12 17072550 XFVGXKVQCKDHPZ-UHFFFAOYSA-N 349.400 4.763 0 40 EJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N1c2ccccc2C[C@@H]1C 20490074 COOUOLQAVKIERJ-KSFYIVLOSA-N 345.442 4.975 0 40 EJAB O=C(c1cc2c(F)cccc2s1)N1CCC[C@@H]1Cc1ccccc1 25518749 ZVFTWDDTKMUKEH-OAHLLOKOSA-N 339.435 4.888 0 40 EJAB C[C@@H](NCc1ccc(Cl)s1)c1ccc(NC(=O)C2CC2)cc1 28925510 CRXHIPAGZPAZHK-LLVKDONJSA-N 334.872 4.601 0 40 EJAB Cc1ccc(CSCC(=O)N(C)Cc2ccc(Cl)cc2)cc1 30754667 DCRHPHWJNFSBMT-UHFFFAOYSA-N 333.884 4.540 0 40 EJAB C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)NCc1cccs1 40067786 GTJAOPYGLCQBNP-SNVBAGLBSA-N 343.279 4.958 0 40 EJAB COc1ccccc1[C@H]1CC(O)=Nc2c(-c3ccccc3)nsc21 40267998 UXWWTXWHMUHUKS-CQSZACIVSA-N 336.416 4.942 0 40 EJAB O=C(c1cc2c(Cl)c(Cl)ccc2[nH]1)N(Cc1ccco1)C1CC1 47927154 XJFKZGRAZKNQQG-UHFFFAOYSA-N 349.217 4.873 0 40 EJAB O=C(c1cccc(-n2nccc2-c2ccccc2)c1)N1CCCCCC1 48356519 VBEJLCAWPUDWHM-UHFFFAOYSA-N 345.446 4.556 0 40 EJAB CC[C@H](NC(=O)N[C@@H]1CCCOc2ccc(F)cc21)c1cccs1 54783217 RSGVVVAKOLFAKS-LSDHHAIUSA-N 348.443 4.551 0 40 EJAB CCn1c([C@H]2CCCN2C(=O)Nc2ccccc2C)nc2ccccc21 65606856 IAENRHCHWNORAR-LJQANCHMSA-N 348.450 4.734 0 40 EJAB C[C@@H]1CCCCN1c1cc(NC(=O)c2ccccc2)c(Cl)cc1N 72229061 HLCIADWGAKTTFG-CYBMUJFWSA-N 343.858 4.553 0 40 EJAB Cc1nnc([C@@H](C)N[C@H](C)c2ccc(Oc3ccccc3)c(F)c2)o1 79029696 YTXZRSFELDYRJF-CHWSQXEVSA-N 341.386 4.721 0 40 EJAB CC(C)COc1cccc(OCC(=O)Nc2ccc3ccccc3c2)c1 84544466 SREXNEDUHWDVSX-UHFFFAOYSA-N 349.430 4.892 0 40 EJAB Fc1c(F)c(C(Cl)(Cl)Cl)c(F)c(F)c1Br 91251912 MWFMQKIRWQAUPD-UHFFFAOYSA-N 346.332 4.832 0 40 EJAB O=[S@](Cc1cccc(NCc2cccc(O)c2)c1)C1CCCCC1 95429126 PKYUYBGFXQHFSK-DEOSSOPVSA-N 343.492 4.586 0 40 EJAB O=C(NC12C[C@@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2)c1ccccc1 104806514 VUNHAQSVERCVGU-YUOVDFJASA-N 331.459 4.707 0 40 EJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccc(C)cc1 113956528 QKVNCRIFHILNSY-KBXCAEBGSA-N 331.843 4.683 0 40 EJAB CCCOC1(C(=O)Nc2ccc(OCC(C)C)cc2)CCCCC1 225656561 QUFBRPLBOTZZPZ-UHFFFAOYSA-N 333.472 4.789 0 40 EJAB CCCOC1(C(=O)Nc2cc(C)c(OCC)c(C)c2)CCCCC1 225658214 GFJWTCLQQQDORR-UHFFFAOYSA-N 333.472 4.770 0 40 EJAB CC(C)Cn1ncc(NC(=O)C[C@@H]2CCCC(C)(C)C2)c1C1CC1 622602181 XGGILWFMGJCURP-HNNXBMFYSA-N 331.504 4.962 0 40 EJAB COc1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 123234 XGNGEMSEDBWAAL-UHFFFAOYSA-N 331.415 4.538 0 40 EJAB CCOC(=O)c1c(N)sc(-c2ccccc2)c1Cc1ccccc1 243613 FFZYOECMVVHASX-UHFFFAOYSA-N 337.444 4.765 0 40 EJAB CCN(CC)c1nc(-c2ccccc2)nc2c1sc(=S)n2CC 1425161 CXVNGOPAIPCKSH-UHFFFAOYSA-N 344.509 4.755 0 40 EJAB CCc1ccc(N2COc3c(cc4c(CC)cc(=O)oc4c3C)C2)cc1 2122861 PDHUWYLEBJPTML-UHFFFAOYSA-N 349.430 4.583 0 40 EJAB biogenic O=C(CC1CCCC1)OCC(=O)c1ccc2c(c1)-c1ccccc1C2 3459016 LYMUVQILZYRAIZ-UHFFFAOYSA-N 334.415 4.564 0 40 EJAB Cc1ccc2c(COC(=O)c3ccc4ccccc4c3)cc(=O)oc2c1 3511338 SKVXZBYODJPRKB-UHFFFAOYSA-N 344.366 4.612 0 40 EJAB CC(=O)O[C@@]1(C)CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 4074041 YKEIELWRIARSQU-RXTIWMTQSA-N 346.511 4.920 0 40 EJAB biogenic Cc1ccc(C)c(-n2c(CNc3cccc(Cl)c3)n[nH]c2=S)c1 4619767 GBMSBZMSLKVDNS-UHFFFAOYSA-N 344.871 4.812 0 40 EJAB COC(=O)c1c(C)n(Cc2ccccc2)c2c1cc(O)c1ccccc12 4674801 JKKYKUWCHGWZBV-UHFFFAOYSA-N 345.398 4.643 0 40 EJAB CSc1cccc(C(=O)Nc2nc3c(Cl)cccc3s2)c1 5222511 FKAYMGWJPAYVHR-UHFFFAOYSA-N 334.853 4.924 0 40 EJAB CCN(CC)C(=S)N(C(=S)c1ccccc1)c1ccccc1C 5583686 NXVYVZNIDZXVBF-UHFFFAOYSA-N 342.533 4.804 0 40 EJAB O=C(N[C@H]1CCCC[C@H]1Cc1ccco1)C12CC3CC(CC(C3)C1)C2 5945232 YZNHXAKNDQHQQV-CYFBFQDTSA-N 341.495 4.714 0 40 EJAB CC[C@H]1CCc2c(sc3[nH]c(=S)n(-c4ccccc4)c(=O)c23)C1 6187360 YLRVUIQUALNUEM-NSHDSACASA-N 342.489 4.625 0 40 EJAB COc1cccc(CNC(C)(C)C)c1OCc1ccccc1Cl 6882593 QXYYQUUEOTXVEO-UHFFFAOYSA-N 333.859 4.816 0 40 EJAB CCCNCc1ccc(OCc2ccc(F)cc2Cl)c(OC)c1 7262359 IXVQDVLKMQQLGC-UHFFFAOYSA-N 337.822 4.566 0 40 EJAB COc1cc2ccccc2cc1C(=O)Nc1ccc2scnc2c1 10217573 ZCWCMAYZUYEMQO-UHFFFAOYSA-N 334.400 4.710 0 40 EJAB O=c1[nH]c2c(s1)[C@@H](c1ccccc1Cl)[C@@H]1[C@@H](S2)[C@H]2CC[C@@H]1C2 11859696 JSSBVGZWZPTGCP-INLDZAHVSA-N 349.908 4.742 0 40 EJAB C[C@H](NC(=O)CCCc1nc2ccccc2s1)c1cccs1 12600879 HTIBWZVXNKYJFV-LBPRGKRZSA-N 330.478 4.558 0 40 EJAB Cc1ccc(CNC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)cc1 13002895 ACPNUKYBMIPNAU-UHFFFAOYSA-N 337.250 4.643 0 40 EJAB O=C(NCc1ccncc1)N1c2ccccc2Sc2ccccc21 13717134 HAJJXTSUONHAAB-UHFFFAOYSA-N 333.416 4.594 0 40 EJAB COc1ccc(C(=O)Nc2cc(Br)ccc2C2CC2)cc1 13945504 DBSFPDJAJYRRTD-UHFFFAOYSA-N 346.224 4.587 0 40 EJAB CSc1ncccc1C(=O)N(c1ccccc1)c1nc(C)cs1 14586886 BLYNGRPFYWBPJF-UHFFFAOYSA-N 341.461 4.547 0 40 EJAB CCOc1ccc([C@H](C)NC(=O)/C=C/c2ccccc2Cl)cc1 20489003 CUCISTUYUNZIGA-UELRPHRMSA-N 329.827 4.629 0 40 EJAB Cc1ccc(Nc2nn(-c3ccc(F)cc3)c3c2C(=O)CCC3)c(C)c1 20672122 UAXQAPUHBOTWBY-UHFFFAOYSA-N 349.409 4.891 0 40 EJAB O=C(Nc1cccc(Cl)c1)c1cccnc1NCc1ccccc1 22072768 UIGVOHLXRQBMFT-UHFFFAOYSA-N 337.810 4.599 0 40 EJAB Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(Br)c1 43597734 JXNBOIZGQPMQIU-UHFFFAOYSA-N 332.119 4.842 0 40 EJAB Clc1ccc2[nH]c(CCc3nc4ccc(Cl)cc4[nH]3)nc2c1 62702340 MUQJZSSEQNSDAA-UHFFFAOYSA-N 331.206 4.531 0 40 EJAB O=C(c1ccc(C(F)(F)F)cc1)N(CCc1cccs1)C1CC1 75154801 VCJWSIRFMULJHY-UHFFFAOYSA-N 339.382 4.614 0 40 EJAB COc1ccc2c(-c3ccccc3)c(C(=O)N[C@@H](C)C(C)C)oc2c1 84410163 SMYUCWGMHSGKSY-AWEZNQCLSA-N 337.419 4.883 0 40 EJAB Cc1cccc(Oc2ccc(N3C(=O)[C@H]4CC[C@@H](C)C[C@@H]4C3=O)cc2)c1 100744491 RPFXZAVVAHHALA-XPGWFJOJSA-N 349.430 4.713 0 40 EJAB O=C(Nc1cc(Cl)ccc1OCC(F)(F)F)[C@H]1C[C@H]2CC[C@H]1C2 105562907 DXQYNXCWJVNPJA-NHCYSSNCSA-N 347.764 4.656 0 40 EJAB Cc1c(C=O)c2ccccc2n1C(=O)c1ccc(Cl)c(Cl)c1 216955019 RKWKIGSPTIRUJU-UHFFFAOYSA-N 332.186 4.758 0 40 EJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccccc3Cl)N21 222642848 IRFFMRJOANZFJP-OAUYIBNBSA-N 343.883 4.714 0 40 EJAB CCCC[C@@H](CC)CNC(=O)c1ccc(CN2CCC(C)CC2)cc1 224331057 YIGCPSKLMAROCQ-LJQANCHMSA-N 344.543 4.865 0 40 EJAB C[C@@H](NC(=O)CCc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 225331824 GTXBXHFCYULPJA-LLVKDONJSA-N 340.225 4.943 0 40 EJAB COc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cc1C 225548764 RARLGBMAHLMZQN-UHFFFAOYSA-N 341.426 4.983 0 40 EJAB CC(=O)c1ccc(NC(=O)NC(=S)c2cccc3ccccc23)cc1 408730030 DLZTVFJMOKCXER-UHFFFAOYSA-N 348.427 4.540 0 40 EJAB CCc1c(C(=O)NCc2cc(F)ccc2C)oc2cc(C)c(C)cc12 526052300 VBPNWVWPFDAADN-UHFFFAOYSA-N 339.410 4.990 0 40 EJAB Cc1ccc(CN2CC(Cc3cccc(Br)c3)C2)c(F)c1 1652965936 HFDBIVMVHGJOBL-UHFFFAOYSA-N 348.259 4.571 0 40 EJAB CCn1c(SCc2ccc(C)cc2)nnc1-c1ccccc1OC 422335 REBPSPZTHZRFQR-UHFFFAOYSA-N 339.464 4.574 0 40 EJAB Cc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)c2ccc(F)cc2)o1 1016824 RDWXFXAWCFYOCS-LJQANCHMSA-N 348.377 4.719 0 40 EJAB CCn1cc(Cl)c(C(=O)N(C2CCCCC2)C2CCCCC2)n1 2781354 PTRFESPDPXPAAU-UHFFFAOYSA-N 337.895 4.664 0 40 EJAB Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccccc2)o1 3904764 RTUWINGCZGTOEZ-WIYYLYMNSA-N 330.387 4.830 0 40 EJAB O=C(Nc1nc2ccc(Cl)cc2s1)c1ccc2ncsc2c1 4088321 BLBQQAVECLQFGK-UHFFFAOYSA-N 345.836 4.812 0 40 EJAB Cc1ccc(-n2ncc3c(Nc4ccc(C(C)C)cc4)ncnc32)cc1 4323001 OZKMFKKJWAQFKT-UHFFFAOYSA-N 343.434 4.991 0 40 EJAB c1ccc(-c2ccc(C3=NN4COc5ccccc5[C@H]4C3)cc2)cc1 5573256 IQYHFROLVAUMRO-OAQYLSRUSA-N 326.399 4.855 0 40 EJAB c1cncc([C@@H]2CCCCN2CCCOc2ccc3c(c2)CCC3)c1 6624476 NOLGZYBMBYUYIW-QFIPXVFZSA-N 336.479 4.566 0 40 EJAB biogenic Cc1c(Cl)cccc1NC(=O)[C@H](C)Nc1ccc2c(c1)CCC2 12554941 CJXYYTIXNUVPDW-ZDUSSCGKSA-N 328.843 4.576 0 40 EJAB COc1ccc([C@@H](C)NC(=S)Nc2ccc(F)c(Cl)c2)cc1 13932662 DBPRNPYQZLTYIU-SNVBAGLBSA-N 338.835 4.535 0 40 EJAB Clc1ccccc1-c1nnc(CN2CCC[C@H]2c2cccs2)o1 15301429 PUDNVISDPPVMSF-AWEZNQCLSA-N 345.855 4.789 0 40 EJAB CCSc1nnc(NC(=O)CCc2ccc(C(C)(C)C)cc2)s1 24880703 WHTUQQYIMREOCH-UHFFFAOYSA-N 349.525 4.519 0 40 EJAB Cc1cccc(C(=O)Nc2cccc(NC(=O)c3cccc(F)c3)c2)c1 41091610 TVJKLRGWWVXFLQ-UHFFFAOYSA-N 348.377 4.639 0 40 EJAB Cc1ccc(Nc2cc(N)nc(-c3ccc(F)cc3)n2)cc1Cl 49467960 UEMMLGFVWMCVTH-UHFFFAOYSA-N 328.778 4.570 0 40 EJAB Clc1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2)cc1 59378202 WXZZZWQTTHOGFE-OAHLLOKOSA-N 335.632 4.541 0 40 EJAB COc1ccc(C)cc1[C@@H](C)Nc1nc2cc(C)nn2c2ccccc12 61174625 HEOMLVQHJSDSNM-OAHLLOKOSA-N 346.434 4.681 0 40 EJAB CC1=Nc2c(c(O)nn2C(C)C)[C@@H](c2ccc(F)cc2Cl)S1 71286223 DDHORWPFYRCCKH-CYBMUJFWSA-N 339.823 4.848 0 40 EJAB CCCCNc1ncccc1[C@H]1CCCCN1C(=O)OC(C)(C)C 72213627 RMUQYBQGROSQRJ-MRXNPFEDSA-N 333.476 4.756 0 40 EJAB C[C@@H](NC(=S)N1CCC[C@@H]1c1cccc(F)c1)c1ccccc1 84656597 BLBAFQKAHLSWPG-RDTXWAMCSA-N 328.456 4.598 0 40 EJAB Clc1cc(Cl)cc(-c2noc(-c3ccnc(Cl)c3)n2)c1 89262831 KSBSRDGJJNDUOB-UHFFFAOYSA-N 326.570 4.759 0 40 EJAB CN1CCN(Cc2ccccc2Sc2cccc3ccccc23)CC1 96246949 SVJXTGRIPHWREP-UHFFFAOYSA-N 348.515 4.738 0 40 EJAB CC1(C)CC(=O)C([C@H](CC(=O)c2ccccc2)c2ccccc2)C(=O)C1 100452860 SNSWUHHPTHNZNQ-GOSISDBHSA-N 348.442 4.618 0 40 EJAB C[C@H](c1nnc(-c2cccc(Cl)c2)o1)N1CCc2ccccc21 102679525 RYACLYYUNQHKCI-GFCCVEGCSA-N 325.799 4.514 0 40 EJAB CCCOc1ccc(CNc2ccc(F)cc2)cc1Br 106964712 CQASCBIDOCKLID-UHFFFAOYSA-N 338.220 4.989 0 40 EJAB Cc1cccc(O[C@@H](C)C(=O)N[C@H](C)c2cc(C)c(C)cc2C)c1 223441839 LVVFKIQEJKWVEL-MSOLQXFVSA-N 325.452 4.565 0 40 EJAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc3c4c(cccc24)CC3)cc1C 224605226 JYJXFTZFBXVBRY-INIZCTEOSA-N 345.442 4.961 0 40 EJAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1cccc(F)c1 225678093 TTZSBFCIFRPCCD-INIZCTEOSA-N 344.455 4.723 0 40 EJAB CC[C@@H](C)Oc1ccc(NC(=O)C2(OC)CCCC2)c2ccccc12 225804749 OFQZBEFLOVFPCD-OAHLLOKOSA-N 341.451 4.915 0 40 EJAB COC(=O)/C=C/c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1 252503517 VEGXJFSREGXPTJ-QPJJXVBHSA-N 330.689 4.805 0 40 EJAB CC(=O)N[C@@H]1C[C@H](c2ccc(-c3ccccc3)cc2)O[C@@H]2CCCC[C@@H]12 585261180 KFFFJOUPOUVNMK-WBADGQHESA-N 349.474 4.879 0 40 EJAB O=C(Nc1ccc2oc(-c3ccccc3)nc2c1)c1cccnc1Cl 74038 UVRTYXQXKCPHHB-UHFFFAOYSA-N 349.777 4.796 0 40 EJAB C[C@H]1CN=C(N(C(=O)Nc2cccc(Cl)c2)c2ccccc2)S1 162683 LYYXFXPGLHSXBD-LBPRGKRZSA-N 345.855 4.870 0 40 EJAB Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)cc1Cl 1095590 GWXRAWOCDNPVET-UHFFFAOYSA-N 328.843 4.891 0 40 EJAB CN(C)[C@@H](Cc1ccccc1)C(=O)c1ccc(-c2ccccc2)cc1 3282715 PGBOSHGQRMJEAQ-QFIPXVFZSA-N 329.443 4.709 0 40 EJAB O=C(CSCc1ccccc1)NCc1ccc(Cl)cc1Cl 3438227 WLFINDGHLYGDFH-UHFFFAOYSA-N 340.275 4.543 0 40 EJAB C[C@@H](Nc1ccccc1Oc1ccccc1)C(=O)NCc1ccccc1 3491591 AISKKZUUSSRYIG-QGZVFWFLSA-N 346.430 4.596 0 40 EJAB NCCCCc1c(-c2cccnc2)[nH]c2c(Cl)cc(Cl)cc12 3740879 YVCIYEUWRNKWKA-UHFFFAOYSA-N 334.250 4.818 0 40 EJAB FCCCSc1nnc(-c2cc3cc4ccccc4nc3s2)o1 4054121 GNRPHHQSMYWBNH-UHFFFAOYSA-N 345.424 4.951 0 40 EJAB Cc1ccc(-c2ccsc2C(=O)NCc2ccccc2F)cc1 5405476 UKEMJUXONJNMFF-UHFFFAOYSA-N 325.408 4.793 0 40 EJAB Cc1ccccc1NC(=O)c1cc(-c2ccncc2)nc2ccccc12 6847483 JPOQZDCKJLOVQE-UHFFFAOYSA-N 339.398 4.858 0 40 EJAB O=C(NCCC1=CCCCC1)c1ccccc1OCc1ccccc1 8101849 XGITUNQOFBPNLW-UHFFFAOYSA-N 335.447 4.886 0 40 EJAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc(Cl)cc1 8279111 UNDIZCOHEJJLKZ-LLVKDONJSA-N 330.840 4.783 0 40 EJAB CCOc1ccc([C@@H]2CCCN2C(=O)c2cc3ccccc3o2)cc1 9596556 MHVLHEZALBTKGC-SFHVURJKSA-N 335.403 4.809 0 40 EJAB Cc1cc(C)c(NC(=O)CSc2ncccc2Cl)c(Cl)c1 11033642 FFEHAELSNCNDTL-UHFFFAOYSA-N 341.263 4.736 0 40 EJAB COc1cccc(NC(=O)c2ccc(OCc3cccs3)cc2)c1 36396451 PKDPWKWHHDUMQI-UHFFFAOYSA-N 339.416 4.588 0 40 EJAB COc1ccccc1CN(C)[C@@H](C)c1nc2ccccc2n1C(F)F 36722619 SVLSVBFQLCXFOZ-ZDUSSCGKSA-N 345.393 4.633 0 40 EJAB COC(=O)c1cc(Nc2ccc(F)c(Cl)c2)c2cccc(F)c2n1 38486945 NGEOKFOCMXVRHJ-UHFFFAOYSA-N 348.736 4.697 0 40 EJAB O=C(Nc1ccc(Oc2ccncc2)cc1)[C@@H]1CCCc2ccccc21 65022931 WDARHPOFUYBMIL-OAQYLSRUSA-N 344.414 4.933 0 40 EJAB Cc1cnc(C(C)(C)NCc2cc(Cl)cc3cccnc23)s1 95418551 YBSSQQCAUMYGAQ-UHFFFAOYSA-N 331.872 4.678 0 40 EJAB CCOC(=O)/C=C\c1ccc(-c2ccc(Br)cc2)cc1 95921764 IKSZMNAOKDIORP-XGICHPGQSA-N 331.209 4.692 0 40 EJAB COc1cccc2cc([C@H](C)NC[C@@H](C)c3c(C)noc3C)oc12 95988121 IDCMKNZMXZBYAQ-NEPJUHHUSA-N 328.412 4.501 0 40 EJAB Cc1cc(C)nc(Nc2ccc(C(=O)Nc3cccc(C)c3C)cc2)n1 170569336 MFPXELQBBSUNHP-UHFFFAOYSA-N 346.434 4.706 0 40 EJAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)Cc1ccccc1 222904390 JGBDAUBQBBLXCT-HXUWFJFHSA-N 339.479 4.800 0 40 EJAB COc1ccc(C(=O)N[C@H](C)c2cc(C(C)C)c(OC)cc2C)cc1 223262673 YAYYWHYDWUVJEE-OAHLLOKOSA-N 341.451 4.627 0 40 EJAB Cc1ccc(C(=O)Nc2ccccc2C(=O)c2ccccc2)cc1C 224787603 QGJKCWJCFNENCR-UHFFFAOYSA-N 329.399 4.787 0 40 EJAB CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OC)c(C)c1 225696747 NCYGLAXHQCEVEZ-UHFFFAOYSA-N 335.488 4.810 0 40 EJAB CC[C@H](NC(=S)Nc1ccc(OC)cc1)c1ccc(C)cc1C 225714017 QYTBPZCVZLGSMU-SFHVURJKSA-N 328.481 4.750 0 40 EJAB O=C(c1ccco1)n1nc(Nc2ccccc2)cc1Nc1ccccc1 575442837 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BJHWDMSAYJHPML-UHFFFAOYSA-N 340.301 4.707 0 40 EJAB O=C(Nc1ccc(SC(F)F)cc1)c1ccc(Br)o1 6937816 SOJSUNOTGOXEPC-UHFFFAOYSA-N 348.168 4.609 0 40 EJAB O=C(CSCc1ccc(F)cc1)Nc1cccc2ccccc12 7146565 OASWIXABZIZMPK-UHFFFAOYSA-N 325.408 4.851 0 40 EJAB CSc1ccccc1NC(=O)CSCc1cc(C)cc(C)c1 7208921 XIEOWYROTSXPRC-UHFFFAOYSA-N 331.506 4.897 0 40 EJAB COc1cc(CNC2CCCC2)ccc1OCc1ccc(C)cc1 8550127 QZWRZGJCBHONFD-UHFFFAOYSA-N 325.452 4.615 0 40 EJAB CC(C)c1ccc(O[C@H](C(=O)O)c2ccccc2)c(Br)c1 11962104 IGSBLCRDMUDWBG-INIZCTEOSA-N 349.224 4.777 0 40 EJAB Cc1c(-c2ccc(NC(=O)C(C)(C)C)cc2)nc2ccc(Cl)cn12 12540750 FZSHHMWKKMYSOT-UHFFFAOYSA-N 341.842 4.948 0 40 EJAB CCOc1ccc(Br)cc1C(=O)Nc1cc(C)ccc1C 14654482 UDIFPCHLUUSORI-UHFFFAOYSA-N 348.240 4.717 0 40 EJAB Cc1ccc(-c2cnn3c(N)c(-c4ccc(Cl)cc4)cnc23)cc1 15418185 BVQJIYQAAHOJFP-UHFFFAOYSA-N 334.810 4.607 0 40 EJAB c1ccc(C(Sc2nnnn2C2CCCC2)c2ccccc2)cc1 16371790 BFNWRFQFFKFRJI-UHFFFAOYSA-N 336.464 4.670 0 40 EJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCCc1ccccc1 20458428 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0 40 EJAB Cc1ccc(CC(=O)Nc2ccc(Br)c(C)c2)c(C)c1 223995515 SHEPVLZQVVJZII-UHFFFAOYSA-N 332.241 4.556 0 40 EJAB COc1ccc(C(=O)Nc2cccc(C)c2C)cc1COCC(C)C 224447132 HUBYJRSYRYSOFV-UHFFFAOYSA-N 341.451 4.737 0 40 EJAB CCCOCc1cc(C(=O)Nc2ccc(C)c(C)c2)ccc1OCC 224704565 ALQPGSSTTIXNRV-UHFFFAOYSA-N 341.451 4.881 0 40 EJAB Cc1ccc(C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)c(Cl)c1 225003615 DWEVVZMHERXSMW-INIZCTEOSA-N 329.827 4.681 0 40 EJAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)NC(C)(C)CC(C)(C)C 225106654 PVULJSIMYQNNIO-OAHLLOKOSA-N 331.500 4.664 0 40 EJAB CCOC(C)(C)C(=O)Nc1cc(C)c(OCc2ccccc2)c(C)c1 225648682 RJJIEKLHNVPUCY-UHFFFAOYSA-N 341.451 4.636 0 40 EJAB O=C(NC[C@H](c1ccsc1)c1ccco1)c1ccccc1Cl 618257081 QKDJTPVKDQPQFR-CQSZACIVSA-N 331.824 4.556 0 40 EJAB CC(C)(C)c1ccc(-c2cc3ncc(-c4ccccc4)c(N)n3n2)cc1 208710 QPKJGZJYNJUGBJ-UHFFFAOYSA-N 342.446 4.943 0 40 EJAB S=C(Nc1cccc(Cl)c1)N1CCCC[C@@H]1c1cccnc1 240170 XRFCUIFRWRWNSC-MRXNPFEDSA-N 331.872 4.659 0 40 EJAB biogenic COc1ccc(CCCC(=O)Nc2cc(Cl)ccc2OC)cc1C 366310 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QKXTXAYHUPUSDF-UHFFFAOYSA-N 325.433 4.764 0 40 EJAB Cc1c(CCc2ccccc2)oc2ccc(Br)cc2c1=O 3342867 FVIUKWJQTYDBTN-UHFFFAOYSA-N 343.220 4.649 0 40 EJAB CCOC(=O)c1nn(-c2ccccc2)c2c1CC/C2=C\c1ccccc1 5592838 BNXISSKNPQJSLT-BMRADRMJSA-N 344.414 4.536 0 40 EJAB O=C(NC(=S)c1cccc2ccccc12)Oc1ccccc1Cl 6536551 YLPGABVGGGWGSQ-UHFFFAOYSA-N 341.819 4.957 0 40 EJAB Cc1ccc(NC(=S)N[C@@H](C)CCc2ccccc2)cc1Cl 6866310 SPXJJYYHVJPDOK-AWEZNQCLSA-N 332.900 4.956 0 40 EJAB O=C(c1ccccc1F)N1CCc2sccc2[C@@H]1c1cccs1 7947891 KGUZZUMFFDAPQJ-QGZVFWFLSA-N 343.448 4.737 0 40 EJAB C[C@H](Cc1cccs1)N(Cc1ccccc1)C(=O)c1ccco1 8345143 KIYOXSPVMDMJSF-OAHLLOKOSA-N 325.433 4.615 0 40 EJAB CC(C)(C)C(=O)Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1 8586522 NYRWKFGSUHFNHF-UHFFFAOYSA-N 327.815 4.868 0 40 EJAB CC(C)CCSc1nc2ccccc2c2nc(-c3ccco3)nn12 9053901 NBUQHIDHAGSBBE-UHFFFAOYSA-N 338.436 4.676 0 40 EJAB CCOc1ccc(N2C(=O)c3ccccc3NC23CCCCC3)cc1 9423420 OPVZDUPRTJWXPG-UHFFFAOYSA-N 336.435 4.818 0 40 EJAB CN(C(=O)Cc1c(F)cccc1Cl)[C@@H]1CCCc2ccccc21 9544723 RGLBAHPMSGVFCN-GOSISDBHSA-N 331.818 4.558 0 40 EJAB COc1ccc(-c2cc(CN(C)[C@@H]3CCCc4ccccc43)on2)cc1 9579037 BNFIZNZOVGWVTO-JOCHJYFZSA-N 348.446 4.860 0 40 EJAB CCCCCNC(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1 12981685 NRICSTZJZLGOIK-UHFFFAOYSA-N 349.434 4.632 0 40 EJAB O=C(CCSCc1ccccc1)Nc1ccc(C(F)(F)F)cc1 13688105 XVIGDFBZDUKIFE-UHFFFAOYSA-N 339.382 4.967 0 40 EJAB CCOC(=O)c1oc2ccc(Cl)cc2c1CNC1CCCCC1 15017502 QRTKOYYZLTVKGG-UHFFFAOYSA-N 335.831 4.685 0 40 EJAB CC[C@H](NC(=O)[C@@H](CC)Oc1cccc(C)c1)c1ccc(C)cc1 20043048 UAMIYVLTZYBCRZ-VQTJNVASSA-N 325.452 4.728 0 40 EJAB CN(Cc1coc(-c2cccs2)n1)Cc1c(F)cccc1Cl 32751418 PABNABGOYSLKEX-UHFFFAOYSA-N 336.819 4.828 0 40 EJAB COc1cc(/C=C(\C)[N+](=O)[O-])ccc1OCc1ccccc1Cl 33247326 FYIWPEZHWMFQFF-FMIVXFBMSA-N 333.771 4.565 0 40 EJAB CCOC(=O)CCCCCCC(=O)c1ccc(N(CC)CC)cc1 43214363 DZPAXVHDRDSEMM-UHFFFAOYSA-N 333.472 4.619 0 40 EJAB CCn1ccc2cc(NC(=O)Nc3cccc4cccnc34)ccc21 58212322 SNHFOKOFRJECCQ-UHFFFAOYSA-N 330.391 4.853 0 40 EJAB COc1cccc2cc(-c3nc(-c4ccccc4)cs3)c(=N)oc12 67350787 LXHICNYTRXRCPT-UHFFFAOYSA-N 334.400 4.711 0 40 EJAB CC(=O)Nc1ccc(NC(=S)Nc2cccc(C(C)C)c2)cc1 71760717 KUYJAUBQWQXGIR-UHFFFAOYSA-N 327.453 4.577 0 40 EJAB CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1C1=NCCCC1 72215248 WZSMTWWAOWWHCO-AWEZNQCLSA-N 331.460 4.595 0 40 EJAB CC(C)c1cc(NC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)no1 76060613 DSIKTYGFCJNIHK-MNOVXSKESA-N 339.222 4.847 0 40 EJAB Cc1onc(-c2ccc(Cl)cc2)c1C(=O)Nc1ccccc1F 80343709 LNTHRESHGFBWHX-UHFFFAOYSA-N 330.746 4.695 0 40 EJAB Fc1cc(-n2c(Cl)nc3ccccc32)ccc1Br 95915961 AZYJXQIIXBBQCK-UHFFFAOYSA-N 325.568 4.581 0 40 EJAB CCc1ccc(-c2nc3cc(OC)cc(Br)c3[nH]2)cc1 216912881 FTZORGRXWRPMIO-UHFFFAOYSA-N 331.213 4.563 0 40 EJAB CC(C)c1ccc(NC(=O)c2cnc(-c3ccc(F)cc3)nc2)cc1 222612089 NTSCZQLJHSJBDB-UHFFFAOYSA-N 335.382 4.658 0 40 EJAB CCCCOC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2F)cc1 223083183 OKLZKINRDNVMIS-UHFFFAOYSA-N 349.789 4.688 0 40 EJAB CCCCOc1ccc(NC(=O)C2(OCCC)CCCCC2)cc1 225656459 ZPKINVFIPNNBAD-UHFFFAOYSA-N 333.472 4.934 0 40 EJAB Cc1ccc(C)c(-n2ncc(N[C@@H](C)c3cn4ccccc4n3)c2C)c1 547727785 VMTZOPVUZFSLSN-INIZCTEOSA-N 345.450 4.618 0 40 EJAB C[C@H](Cc1csc2ccccc12)NC(=O)c1ccc(Cl)s1 575621690 RBJZJFSXZNADCD-SNVBAGLBSA-N 335.881 4.977 0 40 EJAB C[C@H](Cc1ccco1)C(=O)N[C@@H]1CCC(C)(C)C[C@H]1c1ccccc1 1596061134 WFJGSRQAOBMBMY-LSTHTHJFSA-N 339.479 4.937 0 40 EJAB Oc1cccc(Oc2c(F)c(N3CCCCC3)nc(F)c2Cl)c1 552969 CXGAAVWZZLVYTH-UHFFFAOYSA-N 340.757 4.501 0 40 EJAB CCc1ccc(OCC(=O)Nc2nc3ccc(Cl)cc3s2)cc1 569327 FMBTUYZRDJPOSJ-UHFFFAOYSA-N 346.839 4.530 0 40 EJAB CCCN(C(=O)CC)c1nnc(-c2ccc(C(C)(C)C)cc2)s1 1356421 MAKWMOOTRCJYMY-UHFFFAOYSA-N 331.485 4.656 0 40 EJAB Cc1cccc(SCC(=O)Nc2nc(-c3ccccc3)cs2)c1 1392124 ZXAXVIKLTDYYIH-UHFFFAOYSA-N 340.473 4.849 0 40 EJAB CC(C)(COC(=O)Nc1ccccc1)COC(=O)Nc1ccccc1 3033252 KGQCYUZSUKZPSJ-UHFFFAOYSA-N 342.395 4.510 0 40 EJAB O=C(CCSc1ccc(Cl)cc1)Nc1cc(F)ccc1F 3265477 NXWXOOXDRXYKMA-UHFFFAOYSA-N 327.783 4.739 0 40 EJAB CC(C)CCC[C@@H](C)NC(=O)c1ccc(C(=O)c2ccccc2)cc1 3338493 DHFOGKCDRDIVRL-QGZVFWFLSA-N 337.463 4.862 0 40 EJAB C[C@H]1CCCN(CC(=O)N2c3ccccc3Sc3ccccc32)C1 3456289 RQSGIUPWCLBWNG-HNNXBMFYSA-N 338.476 4.548 0 40 EJAB Fc1cccc2sc(Nc3nc(-c4ccccn4)cs3)nc12 4061285 XTTBSNIQZFVWQX-UHFFFAOYSA-N 328.397 4.698 0 40 EJAB Clc1cccc(-c2nnc3sc(-c4ccccc4Cl)nn23)c1 5099395 MHYFLESLXJKPSE-UHFFFAOYSA-N 347.230 4.827 0 40 EJAB COc1ccc(NC(=S)Nc2cccc3ccccc23)c(OC)c1 5335211 SGCFWYUOFFTZBS-UHFFFAOYSA-N 338.432 4.666 0 40 EJAB COc1cc(N[C@@H](C)CN(CC(C)C)CC(C)C)c2ncccc2c1 5834703 USEIZQSPHUMIPW-KRWDZBQOSA-N 343.515 4.658 0 40 EJAB Cc1cccc(C)c1OCC(=O)NC(c1ccccc1)c1ccccc1 6217665 QJIJMXSAFZXNIY-UHFFFAOYSA-N 345.442 4.588 0 40 EJAB C[C@H](CSC(=O)Nc1ccccc1)OC(=O)Nc1ccccc1 6443100 FNSQAYXDTOSIEF-CYBMUJFWSA-N 330.409 4.589 0 40 EJAB O=C(CCCc1c[nH]c2ccccc12)N1CCC[C@H]1c1cccs1 6605819 ZZEAKTQZHYFQDW-SFHVURJKSA-N 338.476 4.916 0 40 EJAB CC(=O)c1ccccc1NC(=O)c1ccc(OCc2ccccc2)cc1 6650732 OGXCWKJBEWNULL-UHFFFAOYSA-N 345.398 4.721 0 40 EJAB COc1ccc(NC(=O)CCSCc2ccccc2)cc1Cl 7685873 TWHBRXSVYHNGQX-UHFFFAOYSA-N 335.856 4.611 0 40 EJAB CCCc1cc(Nc2ccncc2)n2nc(C)c(-c3ccccc3)c2n1 8628405 FNOVJEJTUXZKOG-UHFFFAOYSA-N 343.434 4.796 0 40 EJAB COc1c(F)c(F)c(C(=O)Nc2cccc3ccccc23)c(F)c1F 9141492 AQRWQPQNLIEBAR-UHFFFAOYSA-N 349.283 4.657 0 40 EJAB CSc1ccc(CC(=O)Nc2nc(-c3cccs3)cs2)cc1 10252264 DSHNCEPGGIQAHS-UHFFFAOYSA-N 346.502 4.775 0 40 EJAB Cc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccnc4)=NN23)cc1 12080455 UXXCNNLBRRVPLR-IRLDBZIGSA-N 341.414 4.632 0 40 EJAB C[C@@H](NC(=O)N(C)[C@H](C)c1ccc(Cl)cc1)c1cccc(F)c1 12973210 DVHNTYIJZIKEOK-CHWSQXEVSA-N 334.822 4.943 0 40 EJAB Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1ccc(C(C)C)cc1 13004724 FOUYRQFUVQRKCP-UHFFFAOYSA-N 333.435 4.865 0 40 EJAB CC(C)c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1 14254908 WLCBIXILCKDKKS-UHFFFAOYSA-N 344.263 4.918 0 40 EJAB COc1cccc(COC(=O)CSc2ccc3ccccc3c2)c1 14674486 XKIWBSSCCUIJCO-UHFFFAOYSA-N 338.428 4.684 0 40 EJAB COc1cccc2cc(C(=O)N[C@H](CC(C)C)c3ccccc3)oc12 20450394 RTCFULXMPNLLFD-QGZVFWFLSA-N 337.419 4.959 0 40 EJAB Cc1ccc(C)c(CC(=O)NC(c2ccccc2)c2ccccc2)c1 20487025 OROCXYXXHWDYMN-UHFFFAOYSA-N 329.443 4.752 0 40 EJAB O=C(c1ccccc1Nc1ccccc1)N1CCC[C@@H](C(F)(F)F)C1 24183593 YLVJFLUNDCWTMY-CQSZACIVSA-N 348.368 4.845 0 40 EJAB Cc1cc(C)n(-c2ccccc2NC(=O)c2ccc3ccccc3c2)n1 25015077 DJJDUIBIHYEMIE-UHFFFAOYSA-N 341.414 4.895 0 40 EJAB C[C@H]1C[C@@H]1c1ccc(CN(C(=O)c2cccc(Cl)c2)C2CC2)o1 27285676 OFICAEGXWAGWLB-SJCJKPOMSA-N 329.827 4.861 0 40 EJAB COc1ccc(N[C@@H](C)C(=O)Nc2ccccc2C(C)C)cc1Cl 28875731 IRWVEBJVMYHPPD-ZDUSSCGKSA-N 346.858 4.911 0 40 EJAB CCC(C)(C)NCC(=O)Nc1ccc(Oc2ccccc2Cl)cc1 29052062 HRTBJXSEENXKAA-UHFFFAOYSA-N 346.858 4.849 0 40 EJAB C[C@@H]1Oc2ccc(NC3c4ccccc4-c4ccccc43)cc2NC1=O 32814865 UGMCASZPSIZLEF-ZDUSSCGKSA-N 342.398 4.588 0 40 EJAB COC(=O)c1cc(Nc2ccc(Cl)cc2)c2cc(F)ccc2n1 38486586 PGVHZQRHGOSHJQ-UHFFFAOYSA-N 330.746 4.558 0 40 EJAB CC(C)Oc1cccc([C@H](C)NC(=O)c2ccc(F)cc2Cl)c1 40108210 PTPUINTXSJSLSB-LBPRGKRZSA-N 335.806 4.757 0 40 EJAB COC(=O)c1ccc(Nc2ccnc3cc(C(F)(F)F)ccc23)cc1 40164044 MQRHFGHOGPXKHM-UHFFFAOYSA-N 346.308 4.784 0 40 EJAB O=C(CCC1CCCCC1)Nc1ccc(Oc2ncccn2)cc1 48202584 GWFWHWJQXZFMJA-UHFFFAOYSA-N 325.412 4.568 0 40 EJAB Cc1nnc(C2CCN(Cc3ccc(Cl)cc3Cl)CC2)s1 49365817 JIPFIRLQXRRECJ-UHFFFAOYSA-N 342.295 4.533 0 40 EJAB Cc1ccc(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)c(C)c1 57412204 HZHKQCUXORGODN-UHFFFAOYSA-N 325.799 4.599 0 40 EJAB CC(C)OCc1cccc(N[C@@H](C)C(=O)Nc2ccccc2Cl)c1 58325427 NHLQJKGNPSIYCF-AWEZNQCLSA-N 346.858 4.704 0 40 EJAB Cc1nc(C(=O)Nc2cccc(CO[C@@H]3CCC[C@@H](C)C3)c2)cs1 84272005 UNAYUGMZJJQLJR-CXAGYDPISA-N 344.480 4.799 0 40 EJAB Cc1sc(CC(=O)N(Cc2ccccc2)C(C)C)nc1C(C)C 89548294 LDYIVCFKHKYELX-UHFFFAOYSA-N 330.497 4.555 0 40 EJAB Cc1cc([C@H](O)c2ccc(Br)cc2)cc(C)c1Cl 95730354 FIJWWZOQYSUSQJ-OAHLLOKOSA-N 325.633 4.801 0 40 EJAB Cc1cc(NC(=O)c2cc3cc(Cl)ccc3oc2=N)ccc1Cl 96136857 CFDWXTNBWOHUTD-UHFFFAOYSA-N 347.201 4.780 0 40 EJAB Cc1ccccc1C(=O)Nc1cc(N2CCCC[C@@H]2C)c(C)cc1N 216866204 FGUKAFXYVZTXRK-INIZCTEOSA-N 337.467 4.517 0 40 EJAB Cc1ccccc1[C@H]1CCN(C(=O)Nc2ccccc2)CCS1 219295776 VFPHNZVLFDWBIH-GOSISDBHSA-N 326.465 4.707 0 40 EJAB C[C@H](Oc1ccccc1)C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 219484113 XYHAVFLGONAKMR-CVEARBPZSA-N 325.452 4.629 0 40 EJAB CCSc1ccccc1NC(=O)[C@H](CC)Oc1ccccc1OC 219563160 JQMILJHQCKVBFA-HNNXBMFYSA-N 345.464 4.603 0 40 EJAB Cc1cc(Cl)ccc1NC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2 223601205 BFVRTLDKSFZQPN-AWEZNQCLSA-N 343.854 4.933 0 40 EJAB O=C(OC1CCCCCCC1)c1snnc1-c1ccc(F)cc1 223841026 GSOBLAHFXBHRBO-UHFFFAOYSA-N 334.416 4.614 0 40 EJAB Cc1ccc(C[C@H](Oc2ccc(-c3ccccc3)cc2)C(=O)O)cc1 225020389 CZAVIOOHNJAQFP-NRFANRHFSA-N 332.399 4.737 0 40 EJAB CC(C)Oc1ccc(CCCNC(=S)Nc2cccc(F)c2)cc1 225568772 KWZXAMVRLOISKP-UHFFFAOYSA-N 346.471 4.532 0 40 EJAB CCCCOc1ccc(NC(=O)C(C)(C)OCC)c2ccccc12 225815966 UOCAXDVZMVXVCP-UHFFFAOYSA-N 329.440 4.772 0 40 EJAB Cc1cc(N)c(NC(=O)c2ccc(Cl)c(Cl)c2)cc1Cl 226347412 FFKRGKRXGIOQFH-UHFFFAOYSA-N 329.614 4.790 0 40 EJAB Nc1ccc(NC(=O)c2cccc3c(Cl)cccc23)c(Cl)c1 227157006 PYSPDWOTVCBEEA-UHFFFAOYSA-N 331.202 4.981 0 40 EJAB CC(C)Cn1c(SCCc2ccccc2)nnc1-c1ccccc1 409109165 YWLIULXIPVWWRA-UHFFFAOYSA-N 337.492 4.936 0 40 EJAB Cc1cc(CNCc2ccc(-c3ccc(C(C)(C)C)cc3)o2)n(C)n1 567297215 PUACHNRBOZVNKS-UHFFFAOYSA-N 337.467 4.576 0 40 EJAB O=C(NCc1cncc(-c2ccoc2)c1)c1ccc(Cl)cc1Cl 575621012 SOCNTGWHAWLYCW-UHFFFAOYSA-N 347.201 4.578 0 40 EJAB CCCn1c([C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)nc2ccccc21 252073 DIHVZDDQAIRLDC-KRWDZBQOSA-N 347.462 4.584 0 40 EJAB C[C@@]1(c2ccc(NC(=O)c3cccs3)cc2)CC1(Cl)Cl 1446115 FBAHJHWRWGDDSL-AWEZNQCLSA-N 326.248 4.836 0 40 EJAB CCn1c(SCc2ccccc2C)nnc1-c1ccccc1F 2215977 SDCDSSUZOREOCU-UHFFFAOYSA-N 327.428 4.705 0 40 EJAB O=C(c1ccc(CN2CCCC2)cc1)c1cccc(C(F)(F)F)c1 2514577 UUPZRPZSDNQHGA-UHFFFAOYSA-N 333.353 4.532 0 40 EJAB COc1ccccc1NC(=O)[C@H](C)Nc1ccc(-c2ccccc2)cc1 3353493 LWTVPCXESOUFEX-INIZCTEOSA-N 346.430 4.801 0 40 EJAB O=C1OC(/C=C\c2ccccc2)=N/C1=C/c1c(O)ccc2ccccc12 5328250 OPPMZBLNYSANML-JWQZUCLUSA-N 341.366 4.555 0 40 EJAB S=C(Nc1ccc2ccccc2c1)Nc1cccc2cnncc12 6258215 QMLHWSNMWLKZMB-UHFFFAOYSA-N 330.416 4.592 0 40 EJAB S=C(c1ccccc1OCc1ccccc1Cl)N1CCCC1 6473800 QSOXMHJOLQRGHI-UHFFFAOYSA-N 331.868 4.690 0 40 EJAB C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1cccc(Cl)c1Cl 6587693 LBNBVLUDAPVZMC-JZQZCQBLSA-N 337.250 4.595 0 40 EJAB COc1ccccc1CSCc1cc(=O)oc2cc(C)c(C)cc12 6607347 RBMYGSHVUCZLSZ-UHFFFAOYSA-N 340.444 4.852 0 40 EJAB Cc1ccc(C)c(NC(=O)[C@H](Sc2ncccn2)c2ccccc2)c1 6910817 PWYFZJNLOPGTTM-GOSISDBHSA-N 349.459 4.566 0 40 EJAB CC(C)c1ccccc1NC(=O)c1cc(F)ccc1Br 9723098 UZMCWGUTLCIVSQ-UHFFFAOYSA-N 336.204 4.964 0 40 EJAB COc1ccc(NC(=O)N2CCS[C@H]2c2ccc(Cl)cc2)cc1 13566823 ZYXIOXJKVLETCB-INIZCTEOSA-N 348.855 4.628 0 40 EJAB Fc1ccc(CN[C@H](Cc2ccsc2)c2nccs2)cc1F 19292996 UDCANXMBCJNZEO-OAHLLOKOSA-N 336.432 4.556 0 40 EJAB COc1cccc2cc(C(=O)Nc3ccc(C(F)(F)F)cc3)oc12 19887886 ZYIKIWCIUIKKPQ-UHFFFAOYSA-N 335.281 4.713 0 40 EJAB CC[C@H](Oc1cccc(C)c1)C(=O)N[C@@H](CC)c1ccc(C)cc1 20043054 UAMIYVLTZYBCRZ-PMACEKPBSA-N 325.452 4.728 0 40 EJAB Cc1csc(NC(=O)c2csc(-c3ccc(C(C)C)cc3)n2)n1 23078860 YOBHHRRPMHXERU-UHFFFAOYSA-N 343.477 4.951 0 40 EJAB CCCCSCC(=O)Nc1nc(-c2c[nH]c3ccccc23)cs1 23129557 KNCUHUUTEXVLGN-UHFFFAOYSA-N 345.493 4.763 0 40 EJAB CC(=O)O[C@@H]1C[C@@H]2CC[C@H]3[C@@H]4CCC[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1=O 25553565 FASYXTMQFUGQBE-GKLTVPDCSA-N 332.484 4.530 0 40 EJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc(C)ccc1OC 30871670 WPJAEHGFXSMKGL-FQEVSTJZSA-N 349.430 4.953 0 40 EJAB O=C(Cc1csc(Cc2ccccc2)n1)NC1CCCCCCC1 40088807 SGOCDGRKBDLKTC-UHFFFAOYSA-N 342.508 4.506 0 40 EJAB CCCCOc1ccc(C(=O)Nc2ccc(C)c3ncccc23)cc1 41156782 QENVXPIBKXOURO-UHFFFAOYSA-N 334.419 4.974 0 40 EJAB CCC(CC)C(=O)N1N=C(c2ccccc2)C[C@H]1c1cccs1 95116638 DQILARGKWMDLID-KRWDZBQOSA-N 326.465 4.862 0 40 EJAB Cc1cccc(-c2nn3c(-c4cc5ccccc5o4)nnc3s2)c1 96193777 BKCAUUGFHQOJAX-UHFFFAOYSA-N 332.388 4.574 0 40 EJAB Cc1oc(-c2cccs2)nc1C[S@](=O)[C@H](C)c1ccccc1F 96404319 UMPMLQLGIQYYLN-SFDCACGMSA-N 349.452 4.861 0 40 EJAB Cc1ccc(OCC(=O)N[C@@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)c(C(C)(C)C)c1 103002970 OWXUMEOFCLZJEU-MLHJIOFPSA-N 343.511 4.612 0 40 EJAB Cc1ccccc1C(=O)N1CCS[C@H](c2ccccc2Cl)CC1 208045863 RVPCMWYNTHDZDO-SFHVURJKSA-N 345.895 4.969 0 40 EJAB Cc1ccc([C@H](NC(=O)/C=C/c2ccccc2)c2ccccc2)cc1 216155514 UOVCMRLOAUGBEC-AKXFXYSNSA-N 327.427 4.914 0 40 EJAB CN(Cc1ccc(Cl)cc1)C(=O)C1(c2ccccc2)CCCC1 223751194 PILMSSWLTYOMDH-UHFFFAOYSA-N 327.855 4.810 0 40 EJAB O=C(Cc1cccc(Br)c1)Nc1ccc2ccccc2c1 225612183 RNOQAHZNRLAUFJ-UHFFFAOYSA-N 340.220 4.784 0 40 EJAB O=C(Nc1ccc(OC(F)F)cc1)c1ccc(-c2cccs2)o1 541181750 DXTGTKLBNOBEKC-UHFFFAOYSA-N 335.331 4.862 0 40 EJAB Cc1ccc(COc2ccccc2-c2nc(O)c3ccccc3n2)cc1 575410977 QVFDKNIUNDYREG-UHFFFAOYSA-N 342.398 4.890 0 40 EJAB CC[C@H](c1ccccc1)c1nc(-c2ccc(Br)cc2)n[nH]1 642882610 RYNBDAYDSXPYLM-OAHLLOKOSA-N 342.240 4.776 0 40 EJAB C[C@H](c1ccccc1)[C@@H]1CCCCCN1Cc1ccc(C(=O)O)o1 1615003141 GDFUUPDPYGWQRR-QAPCUYQASA-N 327.424 4.526 0 40 EJAB O=C1OC(c2cccc(Cl)c2)=N/C1=C/c1ccc2ccccc2c1 176679 QKCHDVBPHKBFAR-WOJGMQOQSA-N 333.774 4.838 0 40 EJAB CCN1C(=O)c2cccc3c(NC(=O)c4ccc(C)c(C)c4)ccc1c23 180504 FESUBYFBRFVTOZ-UHFFFAOYSA-N 344.414 4.689 0 40 EJAB Cc1ccc([C@H](CC(=O)N2CCCCC2)c2ccccc2)c(O)c1C 527970 ULGZKYACZNIZIH-HXUWFJFHSA-N 337.463 4.544 0 40 EJAB c1ccc(CNc2nc(-c3ccccc3)[n+](-c3ccccc3)s2)cc1 1811690 JQPAQHRUZOUMMG-UHFFFAOYSA-O 344.463 4.699 0 40 EJAB C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=C(Cl)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 4026903 SOMOGWLYTLQJGT-JCKPQHEUSA-N 336.903 4.836 0 40 EJAB biogenic,in-vitro CC(C)Oc1ccc(C(=O)Nc2nc(-c3cccs3)cs2)cc1 4079545 LACQTKGWOBMWRK-UHFFFAOYSA-N 344.461 4.911 0 40 EJAB Cc1ccc(-n2ncc3c(N(C)C4CCCCC4)ccnc32)c(C)c1 4375789 BXVHGABWNGMKAI-UHFFFAOYSA-N 334.467 4.806 0 40 EJAB C[C@@H](NC(=O)CSC1CCCC1)c1ccc(Cl)cc1Cl 4877706 JYDDMPFEXGEVSR-SNVBAGLBSA-N 332.296 4.846 0 40 EJAB FC(F)(F)c1cnc(NC(=S)Nc2ccccc2)c(Cl)c1 5595303 CCYNGRYCHLGUIP-UHFFFAOYSA-N 331.750 4.563 0 40 EJAB CCCNCc1cc(Cl)c(OCc2ccccc2)c(OCC)c1 7262326 XVTLITMPEOWWMU-UHFFFAOYSA-N 333.859 4.817 0 40 EJAB Cc1cc(C)n(-c2ccc(C(=O)Nc3ccccc3C(C)C)cc2)n1 7981807 PTEBFKBCWRVGMX-UHFFFAOYSA-N 333.435 4.865 0 40 EJAB CCn1c(S[C@@H](C)c2nc3ccccc3s2)nnc1C1CC1 12779170 GSXHNDJOEBCGQM-JTQLQIEISA-N 330.482 4.638 0 40 EJAB CCOc1cc(C(=O)Nc2cc(Cl)ccc2Cl)ccc1OC 14427113 KEIPWCHZNWNYOY-UHFFFAOYSA-N 340.206 4.653 0 40 EJAB CC(C)(C)c1ccccc1OCC(=O)Nc1ccc(F)c(Cl)c1 14666337 NIJZCGIYKCVOKE-UHFFFAOYSA-N 335.806 4.794 0 40 EJAB Cc1c(C(=O)NCc2csc(-c3ccccc3)n2)oc2ccccc12 15832439 HKQZRPCNEMOSEQ-UHFFFAOYSA-N 348.427 4.795 0 40 EJAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc2cccnc12 15835426 JMKTVRFICOBNBU-HNNXBMFYSA-N 348.446 4.938 0 40 EJAB C[C@H](NC(=O)c1ccc(-n2cnc3ccccc32)cc1)c1ccccc1 17323406 DVNJVGQGVFXHAW-INIZCTEOSA-N 341.414 4.517 0 40 EJAB CCc1ccc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(C)c2)cc1 20137592 WLYUWWKTDWNCBJ-UHFFFAOYSA-N 335.403 4.562 0 40 EJAB Cc1cccc(C(=O)Nc2nc3c(s2)C[C@H](C(C)(C)C)CC3)c1 20897373 HHOPVECQRATADL-CQSZACIVSA-N 328.481 4.855 0 40 EJAB C[C@H]1c2ccsc2CCN1Cc1ncc(-c2ccc(F)cc2)o1 22056259 PJMCBJLFDALUCB-LBPRGKRZSA-N 328.412 4.662 0 40 EJAB Cc1cccc(NC(=O)c2sc(N(C)c3ccccc3)nc2C)c1 22237676 VQQTWCMSCQCCLS-UHFFFAOYSA-N 337.448 4.780 0 40 EJAB O=C(N(Cc1ccccc1)Cc1ccccc1)C1(c2ccccc2)CC1 23239286 VJDCJMLMRONISD-UHFFFAOYSA-N 341.454 4.947 0 40 EJAB O=C(O)c1cccc(Nc2ccnc3cc(C(F)(F)F)ccc23)c1 40164048 DQCOJVMIWIOBAD-UHFFFAOYSA-N 332.281 4.695 0 40 EJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccccc1SC 44899931 XXUGNDYCHBWKMC-KRWDZBQOSA-N 329.465 4.821 0 40 EJAB CN(Cc1ccc(O)cc1)C(=O)Nc1ccc(-c2ccccc2)cc1 48361927 QPKDWKQNSBWXBU-UHFFFAOYSA-N 332.403 4.723 0 40 EJAB Cc1ccc2c(CN3CCC[C@H]3c3ccsc3)cc(=O)oc2c1 48367589 PUJUDTUTWQJWRK-KRWDZBQOSA-N 325.433 4.500 0 40 EJAB CN(C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1)c1cccc(Cl)c1 57412167 XATYZQVQHNFBNF-UHFFFAOYSA-N 346.217 4.660 0 40 EJAB CC(C)(C)c1nc(CN(Cc2ccccc2F)C2CCCCC2)no1 60563511 QZAFSIMCWIRLCH-UHFFFAOYSA-N 345.462 4.841 0 40 EJAB CC1=Nc2c(c(O)nn2C(C)C)[C@H](c2ccc(OC(C)C)cc2)S1 71285490 TXDPMTWNURSUOG-INIZCTEOSA-N 345.468 4.843 0 40 EJAB CC(C)(C)OC(=O)N1CCC[C@H]1c1cccnc1NC1CCCCC1 72214016 ZOFUATXXQKRFTJ-KRWDZBQOSA-N 345.487 4.898 0 40 EJAB CC1=Nc2c(cnn2Cc2ccccc2)[C@H](c2ccc(O)cc2)S1 72406516 TVDPQAAYFJRDKE-SFHVURJKSA-N 335.432 4.523 0 40 EJAB Oc1cccc(Br)c1-c1ccccc1Br 95486385 WXGUZPQXTVHWRI-UHFFFAOYSA-N 328.003 4.584 0 40 EJAB O=C(NCc1ccc(F)cc1)c1ccc(Oc2ccccc2Cl)o1 96182543 QRNDLVNVMVTHNU-UHFFFAOYSA-N 345.757 4.794 0 40 EJAB CCc1nnc([C@H](C)SCc2cc(-c3ccc(C)cc3)no2)o1 96467785 CTLQVOCOUFIBCM-LBPRGKRZSA-N 329.425 4.590 0 40 EJAB O=C1Nc2ccc(Cl)cc2S/C1=C/Nc1cccc(Cl)c1 100395128 YAOLTURJDAZWRX-RIYZIHGNSA-N 337.231 4.991 0 40 EJAB CC(=O)c1ccc(/C=C2\C(C)=C(CC(=O)O)c3cc(F)ccc32)cc1 100993804 GZJIDHVXNIESLM-GIJQJNRQSA-N 336.362 4.831 0 40 EJAB CC(C)(C)OC(=O)Nc1cc(C(F)(F)F)ccc1Br 115017217 DGYVPCDPIQCCHN-UHFFFAOYSA-N 340.139 4.815 0 40 EJAB O[C@@H](c1ccc(Br)cc1)c1ccc2c3c(cccc13)CC2 158874466 IYZBKNXOHIJMOC-IBGZPJMESA-N 339.232 4.783 0 40 EJAB CCOC(=O)c1ccc(NC(=O)CCc2cccc3ccccc23)cc1 222658699 NJJBJKPOGSCCKA-UHFFFAOYSA-N 347.414 4.588 0 40 EJAB CCc1ccc([C@@H](C)NC(=O)[C@@H](C)Sc2ccc(C)cc2)cc1 224239212 IUIWCRKYPLGMHH-HZPDHXFCSA-N 327.493 4.915 0 40 EJAB COc1ccc(C(=O)NC2CC2)cc1CSc1ccc(Cl)cc1 224345014 JIMGRPFBBFWKAP-UHFFFAOYSA-N 347.867 4.533 0 40 EJAB CC[C@H](NC(=O)CCc1ccc(OC)cc1)c1ccc(C)c(C)c1 225317862 KMMBOOFXIUCUGN-FQEVSTJZSA-N 325.452 4.512 0 40 EJAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NC1CCCCCCC1 225565991 HWUBGAZWJRBASU-MRXNPFEDSA-N 329.484 4.562 0 40 EJAB CC[C@@H](C)Oc1c(C)cc(NC(=O)[C@](C)(CC(C)C)OC)cc1C 225608948 ALQGCGZWIYMIGH-UZLBHIALSA-N 335.488 4.870 0 40 EJAB CCCOC(C)(C)C(=O)Nc1ccc(OCc2ccccc2)c(C)c1 225728149 BAUBGIKHVHAGFB-UHFFFAOYSA-N 341.451 4.718 0 40 EJAB O=C1c2ccccc2CN1c1ccc2nc(-c3ccccc3F)oc2c1 226286982 JQWFUYFSVQSTAM-UHFFFAOYSA-N 344.345 4.794 0 40 EJAB C[C@@H]1CCCCN1P(N1CCCC[C@H]1C)N1CCCC[C@H]1C 301054443 NVXFGRFIRYCPGA-KZNAEPCWSA-N 325.481 4.837 0 40 EJAB CSc1ccccc1C(=O)NC[C@@H](c1ccsc1)c1ccco1 618257521 YXFQSIUSVIUAAW-HNNXBMFYSA-N 343.473 4.625 0 40 EJAB O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 385242 NPZNMNGHSHHBPY-UHFFFAOYSA-N 333.231 4.977 0 40 EJAB Cc1ccc(NC(=O)N[C@@H]2c3ccccc3-c3cc(C)ncc32)cc1 521509 MASDLBUOWOLRKP-HXUWFJFHSA-N 329.403 4.590 0 40 EJAB O=C(/C=C/c1ccccc1)Nc1cccc(Cl)c1N1CCCCC1 556593 GQFDLRWULJVAPH-OUKQBFOZSA-N 340.854 4.982 0 40 EJAB Cc1cnc(NC(=O)c2ccc(-c3nc4ccccc4s3)o2)s1 3435580 OZZZSNYSAXZKLG-UHFFFAOYSA-N 341.417 4.574 0 40 EJAB CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)N(C)Cc1ccccc1F 3444381 ADGWYZAXVIOGRE-CVEARBPZSA-N 342.458 4.798 0 40 EJAB Cc1ccc(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1Cl 4715600 AZHSDRVOJSHDMK-XXWNAHEMSA-N 331.887 4.983 0 40 EJAB Cc1sc(-c2cc3ccc(O)cc3oc2=O)nc1-c1ccccc1 4996465 VUPIWDVJBIMJRH-UHFFFAOYSA-N 335.384 4.598 0 40 EJAB O=C(/C=C/c1ccc2ccccc2n1)N[C@H]1CCSc2ccccc21 7735199 FRIRUXAMFNAWGV-CVTTXWKISA-N 346.455 4.601 0 40 EJAB COc1ccc(-c2nc(-c3[nH]c(C)c(C(C)=O)c3C)cs2)cc1 7843910 JXQGMVTUFDHRFW-UHFFFAOYSA-N 326.421 4.633 0 40 EJAB Cc1ccc(CCC(=O)NCCSCc2ccccc2Cl)cc1 10334869 HEIUCQZZWXNRBU-UHFFFAOYSA-N 347.911 4.631 0 40 EJAB Cc1cccc(C(=O)Oc2c(C)cc(Br)cc2Cl)c1 13137645 MKSWSVPFVRXHSC-UHFFFAOYSA-N 339.616 4.939 0 40 EJAB Cc1cccc(NC(=O)c2sc(=S)n(C3CCCCC3)c2N)c1 13547208 SXMMOYYEUGTISY-UHFFFAOYSA-N 347.509 4.927 0 40 EJAB Cc1ccccc1[C@@H](C)NC(=S)Nc1cccc(Br)c1 16943341 PVCCGPNSENXUJL-GFCCVEGCSA-N 349.297 4.805 0 40 EJAB O=C(Nc1ncc(Cc2ccccc2Cl)s1)[C@@H]1C[C@@H]2C=C[C@H]1C2 19349671 VHGZRKLZIHOCNN-TYNCELHUSA-N 344.867 4.538 0 40 EJAB CCOc1ccc(-c2cc(C(=O)Oc3ccc(C)c(C)c3)no2)cc1 20896768 QJFRFLVXXNJHBC-UHFFFAOYSA-N 337.375 4.576 0 40 EJAB Cc1sc(CNC(=O)c2ccccc2)nc1-c1ccc(Cl)cc1 32627837 IZNLIBZPMCTMSF-UHFFFAOYSA-N 342.851 4.702 0 40 EJAB COc1cc(-c2nc3cccc(C)n3c2Nc2ccccc2)ccc1O 35615803 LVVZHNIKPSWRJG-UHFFFAOYSA-N 345.402 4.768 0 40 EJAB CC(C)Sc1nnc(NC(=O)c2ccc(C(C)(C)C)cc2)s1 39723979 SVYZKCCDOASNMZ-UHFFFAOYSA-N 335.498 4.588 0 40 EJAB CC(C)c1ccsc1C(=O)O[C@H](C)c1nnc(-c2cccs2)o1 64008645 AQBBLBWHQSHQFW-SNVBAGLBSA-N 348.449 4.901 0 40 EJAB CC(C)c1nc2ccc(NC(=O)c3ccc4c(c3)COC4)cc2s1 64396246 VSTCLDZBXOVRFT-UHFFFAOYSA-N 338.432 4.702 0 40 EJAB Fc1ccc(-c2nnc(CSC/C=C/c3ccccc3)o2)cc1 69700415 ZVIKBRYVRXPRSZ-QPJJXVBHSA-N 326.396 4.822 0 40 EJAB Cc1cc([C@H]2CCCCN2C(=O)OCc2ccccc2)cnc1Cl 72217811 TVTGGDQLDNIIDL-QGZVFWFLSA-N 344.842 4.907 0 40 EJAB CCc1cnc([C@H](C)NCc2coc(-c3ccc(C)cc3)n2)s1 85332107 PLAVCKNKFXGTJP-ZDUSSCGKSA-N 327.453 4.520 0 40 EJAB CC(C)c1cccc(C(C)C)c1NC(=O)NCCc1ccncc1 96475558 AAZWPMHMPBSQDM-UHFFFAOYSA-N 325.456 4.693 0 40 EJAB COc1cc(/C=C/C(=O)OC/C=C(\C)CCC=C(C)C)ccc1O 101773702 KSRDJVKWHDQVBQ-TWGDSDBMSA-N 330.424 4.650 0 40 EJAB biogenic CC[C@@H](NC(=O)[C@H](C)Oc1cccc(Cl)c1)c1ccc(C)c(C)c1 219292724 HNZZHSRLJKWUOZ-HNAYVOBHSA-N 345.870 4.992 0 40 EJAB CCc1cccc(C)c1NC(=O)[C@H](CC)Oc1ccc(C)cc1C 222956075 HLGGERJNXGAZPW-SFHVURJKSA-N 325.452 4.970 0 40 EJAB COC(=O)c1ccc(CN2c3cc(C)ccc3[C@@H](C)CC2(C)C)o1 223231148 IXECOTOWSHFVKM-AWEZNQCLSA-N 327.424 4.667 0 40 EJAB CCOc1cccc(NC(=S)NCCCc2ccc(Cl)cc2)c1 225544588 RUEUSPJOZPQLIY-UHFFFAOYSA-N 348.899 4.658 0 40 EJAB COc1ccc(NC(=O)c2cc3c(ccc4ccccc43)o2)c(OC)c1 408564317 VRTKGUDQAUMTNP-UHFFFAOYSA-N 347.370 4.856 0 40 EJAB CCCc1c(NCc2ccnn2C(C)C)cnn1-c1ccccc1C 527528459 BXWYIINKWZMCLU-UHFFFAOYSA-N 337.471 4.523 0 40 EJAB COC(=O)c1cc(-c2ccccc2Cl)n(-c2ccc(Cl)cc2)n1 1389656 DCPWPSHXSPAZRI-UHFFFAOYSA-N 347.201 4.633 0 40 EJAB CCc1ccc2nc(NC(=O)CSc3ccc(C)cc3)sc2c1 2615976 YISZIEHKIAEPMX-UHFFFAOYSA-N 342.489 4.898 0 40 EJAB O=C(OCc1ccccc1F)c1cc(Br)ccc1Cl 2635127 CZPOUMLBJOFJJO-UHFFFAOYSA-N 343.579 4.599 0 40 EJAB Cc1ccc(N(C(=O)NC2CCCCC2)C2=NCCCCC2)cc1 3206551 RSWUCIIWNFGHRO-UHFFFAOYSA-N 327.472 4.816 0 40 EJAB FC(F)(F)c1ccc(Cl)c(NC(=S)NCc2ccccc2)c1 3252351 QAGPBGNZZNXYKI-UHFFFAOYSA-N 344.789 4.845 0 40 EJAB CCc1ccc([C@@H]2N=C(O)c3c(sc4c3CC[C@@H](C)C4)N2)cc1 6359251 YRBOYBLPQXOTJM-PIGZYNQJSA-N 326.465 4.864 0 40 EJAB O=S(=O)(Nc1ccc2oc3ccccc3c2c1)c1ccc(F)cc1 7056000 AFWXXUMCAMYREE-UHFFFAOYSA-N 341.363 4.526 0 40 EJAB CCc1cccc(CC)c1NC(=O)CSCc1ccc(F)cc1 7146273 AUJNPVQOPAUJIP-UHFFFAOYSA-N 331.456 4.822 0 40 EJAB COc1ccc(S[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)cc1 7294701 FGZVZOYPVBNSFJ-HNNXBMFYSA-N 329.465 4.740 0 40 EJAB COc1cccc(-c2nnc(SCc3cccc(Cl)c3)o2)c1 7939605 UYKMEMPVAOKGDD-UHFFFAOYSA-N 332.812 4.691 0 40 EJAB CCc1sc(-c2nnc(CN3c4ccccc4C[C@@H]3C)o2)cc1C 8724617 KWZUTMXTKBHNPF-ZDUSSCGKSA-N 339.464 4.620 0 40 EJAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(Cl)cc1F 10541254 DHFDUAGRQURGTE-UHFFFAOYSA-N 343.789 4.534 0 40 EJAB Cc1ccc(C(C)C)c(OCC(=O)N2CCc3sccc3[C@H]2C)c1 10695455 BVEUAIZOEXDKKP-OAHLLOKOSA-N 343.492 4.705 0 40 EJAB Cc1cccc(Cc2cnc(NC(=O)c3ccoc3)s2)c1Cl 12770194 OJHZZGJZWFGRON-UHFFFAOYSA-N 332.812 4.541 0 40 EJAB COc1ccc(C)cc1NC(=O)[C@@H](C)Oc1ccc2ccccc2c1 13708328 NNAZXFBDTYBGMC-OAHLLOKOSA-N 335.403 4.563 0 40 EJAB COc1cccc2cc(C(=O)N[C@@H](CC(C)C)c3ccccc3)oc12 20450392 RTCFULXMPNLLFD-KRWDZBQOSA-N 337.419 4.959 0 40 EJAB Cc1cccc(N2C(=O)/C(=C/c3cccs3)c3ccccc3C2=O)c1 33377896 QBHTWMUISIUERD-CPNJWEJPSA-N 345.423 4.784 0 40 EJAB COc1ccc(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(C)cc2C)cc1 38772700 IGZZPOVLEGUAKL-HOTGVXAUSA-N 343.492 4.670 0 40 EJAB Cc1ccc(-c2nnco2)cc1NC(=O)c1cccc(Cl)c1Cl 60371904 QPNAOXQSCNIESQ-UHFFFAOYSA-N 348.189 4.604 0 40 EJAB Cc1[nH]c2c(C(=O)N(C)Cc3ccc([C@@H]4C[C@H]4C)o3)cccc2c1C 65537274 GTHHBUBZKSBMQU-KZULUSFZSA-N 336.435 4.773 0 40 EJAB COc1ccc(C)cc1C[S@@](=O)Cc1csc(C2CCCC2)n1 69845320 JQXIOIFKCFLLAW-QHCPKHFHSA-N 349.521 4.567 0 40 EJAB CCOc1ccc(C(=O)c2cnc3ccc(OC)cc3c2Cl)cc1 71775362 RLWURELGVSPWDI-UHFFFAOYSA-N 341.794 4.527 0 40 EJAB CC(C)(C)OC(=O)N1CCCC[C@@H]1c1ccc(NC2CCCC2)nc1 72213986 FOFCWDISKRNMFP-QGZVFWFLSA-N 345.487 4.898 0 40 EJAB CC(C)n1ccc2cc(C(=O)N[C@@H](C)c3nc4ccccc4[nH]3)ccc21 96118469 CZZFPZBBPMPLFP-AWEZNQCLSA-N 346.434 4.590 0 40 EJAB O=C(/C=C/c1cccs1)N1CCS[C@@H](c2ccccc2F)CC1 219080168 GXXHZNUTZBXOBF-IWAYRVGRSA-N 347.480 4.607 0 40 EJAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(F)c(Cl)c1 222631794 GLMWNYBJAKTBDD-GFCCVEGCSA-N 347.817 4.764 0 40 EJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccc(Cl)c3)N21 222643122 ZSUQXRICNMYPEL-HYVNUMGLSA-N 343.883 4.714 0 40 EJAB Cc1ccc(SCC(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1 223396892 VRSVQOQWSUWFHD-QGZVFWFLSA-N 327.493 4.890 0 40 EJAB Cc1ccc(Cl)cc1C[C@H](Oc1ccccc1C(C)C)C(=O)O 225077495 TWJLQYDICVJRMK-SFHVURJKSA-N 332.827 4.847 0 40 EJAB CC(C)(Cc1ccccc1)NC(=O)CCCOc1ccc(Cl)cc1 225321072 GTWPBOVJEFIIOV-UHFFFAOYSA-N 345.870 4.637 0 40 EJAB CCc1ccc(NC(=S)NCCSCc2cccc(C)c2)cc1 225337040 LREIYBYNNMWLOB-UHFFFAOYSA-N 344.549 4.777 0 40 EJAB CCCOc1c(C)cc(NC(=O)C2(OCCC)CCCC2)cc1C 225655781 MRMIODWLLMDSIN-UHFFFAOYSA-N 333.472 4.770 0 40 EJAB CCc1ccc2oc(-c3ccc[n+](Cc4ccccc4F)c3)nc2c1 226308001 ANQSPEAAVIGQTO-UHFFFAOYSA-N 333.386 4.532 0 40 EJAB CCC(=O)N1CCC[C@@H](c2cc(Nc3ccc(C)cc3)cc(C)n2)C1 257246841 IWAREPFVNANSOY-QGZVFWFLSA-N 337.467 4.558 0 40 EJAB CSc1ccccc1C(=O)NCCc1ccc(-c2ccoc2)s1 390831750 UPAIVFKVUJFHIU-UHFFFAOYSA-N 343.473 4.703 0 40 EJAB Cc1ccc(SCCC(=O)Nc2cccc(OC(C)C)c2)cc1 408574700 KBRSJHWFBKLESN-UHFFFAOYSA-N 329.465 4.903 0 40 EJAB O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1c(F)cccc1F 67304 UGHVZFHCZIKLDD-UHFFFAOYSA-N 349.340 4.760 0 40 EJAB CC(=O)c1ccc(OC(=O)/C=C/c2c(Cl)cccc2Cl)cc1 147141 DCFRAUOOLKTDOV-MDZDMXLPSA-N 335.186 4.815 0 40 EJAB Cc1ccc(SCc2nc3sccn3c2Br)cc1 550404 OAAXNYZLQAEOBS-UHFFFAOYSA-N 339.283 4.759 0 40 EJAB Cc1ccc(NC(=O)CCSC(=O)Nc2ccc(C)cc2)cc1 1580518 KECICKDZYZBFOL-UHFFFAOYSA-N 328.437 4.597 0 40 EJAB CC1(C)C[C@@H](CNCC[C@@H](c2ccc(F)cc2)c2ccco2)CCO1 1821195 PVZQSKKTJZATRH-LPHOPBHVSA-N 345.458 4.736 0 40 EJAB CC(=O)Nc1ccc(SCC(=O)c2cc(C)c(C)cc2C)cc1 2660142 YDLFOZWMDLSBJJ-UHFFFAOYSA-N 327.449 4.545 0 40 EJAB CC[C@H](O)c1nc2ccccc2n1Cc1ccc(Cl)cc1Cl 4386175 ORTDLMLFJLPOFV-INIZCTEOSA-N 335.234 4.835 0 40 EJAB Cc1cccc(NC(=O)CCCOc2ccc(Br)cc2)c1 5558343 DOWIPVSGRPTULP-UHFFFAOYSA-N 348.240 4.555 0 40 EJAB COc1ccc(CCSc2nnc3cc(C)c4ccccc4n23)cc1 5885922 IYEQPWOUTKTKMN-UHFFFAOYSA-N 349.459 4.534 0 40 EJAB COc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1F 7268681 OOIDZFRHCWVGAH-UHFFFAOYSA-N 347.695 4.759 0 40 EJAB O=C(c1ccc2noc(-c3ccccc3)c2c1)N1CCc2ccccc21 8132078 GRCVPCXCJRZIOV-UHFFFAOYSA-N 340.382 4.698 0 40 EJAB O=C(CCC(=O)c1ccc2c(c1)CCC2)Nc1ccc(Cl)cc1F 8748801 NXVRZSOYSGCSHI-UHFFFAOYSA-N 345.801 4.569 0 40 EJAB O=C(NCc1csc(-c2ccccc2)n1)Nc1cccc(Cl)c1 14159839 JJKHJXAIRNRJEG-UHFFFAOYSA-N 343.839 4.785 0 40 EJAB CCn1c(SCc2c(F)cccc2F)nnc1-c1ccccc1 16788680 VGADQGGTSXJKJU-UHFFFAOYSA-N 331.391 4.536 0 40 EJAB CC(C)(C)c1cc(NC(=O)Nc2cc(Cl)cc(Cl)c2)no1 17067163 HJHLQMNZNWAERT-UHFFFAOYSA-N 328.199 4.923 0 40 EJAB CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@H](C)c1ccc(C)cc1C 20452759 SYWZCQRUOLSTNQ-YLJYHZDGSA-N 325.452 4.647 0 40 EJAB O=C(c1ccc(-c2cccc(C(F)(F)F)c2)o1)N1CCCCCC1 21897447 VWPHBQLJKZLQPO-UHFFFAOYSA-N 337.341 4.982 0 40 EJAB C[C@@H]1C[C@@H]1c1ccc(CN(C)C(=O)COc2ccc3ccccc3c2)o1 29885427 QQXDNBGBKZVMIL-QRWLVFNGSA-N 349.430 4.594 0 40 EJAB Clc1cc(-c2nc(-c3ccc4c(c3)OCCCO4)cs2)ccn1 30447328 FNRWMXHRCPZXMO-UHFFFAOYSA-N 344.823 4.687 0 40 EJAB COc1ccc2nc(SCc3cc(F)cc4cccnc34)[nH]c2c1 31606480 XTJANJALDRRWJP-UHFFFAOYSA-N 339.395 4.551 0 40 EJAB Cc1ccc(-c2nc(CS[C@H](C)c3nnc(C)o3)cs2)cc1 95412876 VCVPXCKJGFJGCY-LLVKDONJSA-N 331.466 4.804 0 40 EJAB O=C(c1ccc(Br)cc1)c1ccccc1OC(F)(F)F 95917412 URGKSBBFSGGDCY-UHFFFAOYSA-N 345.114 4.579 0 40 EJAB Cc1cc(C(=O)NCc2sc(-c3ccccc3C)nc2C)c(C)o1 96342868 QKSKEZPQFIKEJR-UHFFFAOYSA-N 340.448 4.567 0 40 EJAB Cc1oc(-c2cccs2)nc1C[S@@](=O)[C@@H](C)c1ccccc1F 96404313 UMPMLQLGIQYYLN-MYODQAERSA-N 349.452 4.861 0 40 EJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(Cl)cc3)N21 222643417 XDIUTCKQOBTTTB-HYVNUMGLSA-N 343.883 4.714 0 40 EJAB C[C@H](CCc1ccccc1)NC(=O)CCc1cccc2ccccc12 222670112 JNTLHCAELGLVON-GOSISDBHSA-N 331.459 4.910 0 40 EJAB CCOc1ccccc1NC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C 224887111 SZFBMUMSDGOFSM-INIZCTEOSA-N 341.451 4.923 0 40 EJAB Cc1c(Cl)cccc1C[C@@H](Oc1cccc2ccccc12)C(=O)O 225071819 LGSCKFSFUKCKMK-LJQANCHMSA-N 340.806 4.876 0 40 EJAB Cc1cc(C)c(C[C@@H](Oc2ccc3ccccc3c2)C(=O)O)c(C)c1 225137201 HUVRHFKDBOFKEW-OAQYLSRUSA-N 334.415 4.840 0 40 EJAB CC[C@H](NC(=S)Nc1ccc(F)cc1)c1ccc(OC)c(C)c1 225461910 TYNAGVODOXNDQZ-INIZCTEOSA-N 332.444 4.580 0 40 EJAB CC[C@@H](NC(=O)COc1cccc2c1CCCC2)c1ccc(C)cc1 225567983 BSQZELQCIGBLKH-HXUWFJFHSA-N 337.463 4.520 0 40 EJAB Cc1cccc([C@@H](NC(=S)Nc2cccc(C)n2)c2ccccc2)c1 225701557 QOFUJOOBLFDPOM-FQEVSTJZSA-N 347.487 4.774 0 40 EJAB COc1ccc([C@H]2S[C@@H](C)C(=O)N2c2ccc(Cl)cc2)cc1 70308 ZZUISRVPMLVLLR-APPDUMDISA-N 333.840 4.516 0 40 EJAB Cn1nc(-c2ccc(Cl)cc2Cl)n(-c2ccccc2)c1=S 2561626 YXICENPHRXRLLS-UHFFFAOYSA-N 336.247 4.914 0 40 EJAB CC[C@@H](C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)C(=O)c1ccccc1 3846431 DMADGBHCTZPDTK-NXWXRZEISA-N 330.468 4.900 0 40 EJAB Cc1cccc(C(=O)Nc2nnc(-c3c(C)cc(C)cc3C)s2)c1 4070347 YGXIIOOVMSFJFU-UHFFFAOYSA-N 337.448 4.691 0 40 EJAB CC(=O)c1ccc(C(=O)Nc2nc3c(C)c(Cl)ccc3s2)cc1 4292207 IBBMYJSSGGFHKC-UHFFFAOYSA-N 344.823 4.713 0 40 EJAB Cc1ccc(C)c(-c2nnc(NC(=O)c3ccc4ccccc4c3)o2)c1 4479507 KHCRWNHPJHCEAB-UHFFFAOYSA-N 343.386 4.759 0 40 EJAB CCSc1ccc(C(=O)Nc2ccc3sc(C)nc3c2)cc1 4585853 OGNHGDVZBMCQST-UHFFFAOYSA-N 328.462 4.969 0 40 EJAB CSc1ccc(C(=O)Nc2nc3c(SC)cccc3s2)cc1 5299299 XRUAQFSBOHJUMT-UHFFFAOYSA-N 346.502 4.992 0 40 EJAB COc1ccc(OC)c(NC(=O)c2cccc(Oc3ccccc3)c2)c1 5701777 KDYHYSGFGBLDDR-UHFFFAOYSA-N 349.386 4.748 0 40 EJAB O=C(Cc1ccccc1F)Nc1nc(-c2ccc(Cl)cc2)cs1 6509390 XLLNKXIEFCAWQS-UHFFFAOYSA-N 346.814 4.784 0 40 EJAB O=C(CSc1ncnc2ccccc12)C12CC3CC(CC(C3)C1)C2 6862451 JIRPGUFJDNFFTI-UHFFFAOYSA-N 338.476 4.507 0 40 EJAB CC(C)(C)NCc1cc(Br)ccc1OCc1ccccc1 6882530 NEIWMZNVOMNDLN-UHFFFAOYSA-N 348.284 4.916 0 40 EJAB O=C(O)c1sc(/C=C/c2ccc(F)c(F)c2)nc1-c1ccccc1 7333015 JVUHEIMUGURDQT-VQHVLOKHSA-N 343.354 4.957 0 40 EJAB COc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc(C)cs2)cc1 9305154 AAUHHFWGMVBEBO-LJQANCHMSA-N 349.459 4.816 0 40 EJAB COc1cccc(NC(=O)N(C2=NCCC2)c2ccc(Cl)cc2)c1 10166024 CUGMEIYPJZOYIB-UHFFFAOYSA-N 343.814 4.579 0 40 EJAB COc1ccc(-c2nc(=S)c3c4c(sc3[nH]2)CCCC4)cc1 13534534 KQZHEBZYHHPVLP-UHFFFAOYSA-N 328.462 4.908 0 40 EJAB Cc1cccc([C@@H]2CC(=O)c3c(C)nn(-c4ccc(F)cc4)c3C2)c1 17068772 ZMRHKOMABGVSTN-INIZCTEOSA-N 334.394 4.541 0 40 EJAB O=C(CSCc1ccccc1Cl)N[C@@H]1CCCc2ccccc21 20482179 UIHXRZFSMPWQGY-GOSISDBHSA-N 345.895 4.767 0 40 EJAB CC(C)C(=O)NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12 25349591 PMKZRWMLBKBKJR-INIZCTEOSA-N 340.854 4.725 0 40 EJAB CC(=O)c1cccc(OCc2coc(-c3cccc(Cl)c3)n2)c1 26777480 IHNKKNFVTAYOIT-UHFFFAOYSA-N 327.767 4.777 0 40 EJAB O=C(Nc1cccc(CN2CCCCC2)c1)c1ccc(F)cc1Cl 27143458 ZGRCOMHPLDIVHK-UHFFFAOYSA-N 346.833 4.717 0 40 EJAB CCC[C@@H](NC(=O)CCCC(=O)c1ccc(F)cc1)c1ccccc1 40115504 OSQVQYKBAZIEEY-LJQANCHMSA-N 341.426 4.836 0 40 EJAB Cc1cc2oc(C(=O)N3C[C@@H](C)Oc4ccccc43)c(C)c2cc1C 41155519 WUEKZHDFEPOITD-CQSZACIVSA-N 335.403 4.786 0 40 EJAB Cc1cccc(Nc2ccccc2C(=O)Nc2c(C)noc2C)c1C 63447548 PVQIIPPFHSSPKA-UHFFFAOYSA-N 335.407 4.904 0 40 EJAB CCNc1nnc(S[C@@H](C)c2ccc(C(F)(F)F)cc2)s1 78480764 LOJKQHDXOADKDE-QMMMGPOBSA-N 333.404 4.842 0 40 EJAB CC(C)[C@H]1CCCN1C(=O)c1cc2ccccc2n1Cc1ccccc1 84456564 SGHDCLYWLFDBTR-HXUWFJFHSA-N 346.474 4.950 0 40 EJAB Cc1ccc(-c2nc(-c3noc4ccc(C(=O)O)cc34)cs2)cc1 107132516 OGGSGFLGPWRYTR-UHFFFAOYSA-N 336.372 4.625 0 40 EJAB Cc1ccc(C(=O)N2CCCC[C@H](c3ccc(F)cc3)C2)cc1F 206875046 SMRMGJSSXRWWAJ-KRWDZBQOSA-N 329.390 4.683 0 40 EJAB CC[C@H](NC(=O)COc1ccccc1Cl)c1ccc(C)c(C)c1 218851031 WHLMPOWFLNNSNY-KRWDZBQOSA-N 331.843 4.603 0 40 EJAB Cc1ccc(N2CCC(C(=O)Nc3cccc(Cl)c3)CC2)cc1 219848947 VBPGKNPJMNLFRB-UHFFFAOYSA-N 328.843 4.504 0 40 EJAB S=C(NCc1ccccc1Cl)Nc1ncc(Cl)cc1Cl 223931872 ZPVRJFSKYHEVPS-UHFFFAOYSA-N 346.670 4.528 0 40 EJAB CC[C@@H](C(=O)NCc1cccnc1-c1cccs1)c1ccccc1 225759307 MPQYXIUCAGPRRB-QGZVFWFLSA-N 336.460 4.620 0 40 EJAB CCOc1ccc(NC(=O)C(C)(C)Cc2ccc(Cl)cc2)cc1 225943128 KZIZDIIUBSPKNG-UHFFFAOYSA-N 331.843 4.946 0 40 EJAB COC(=O)c1ccc2[nH]c(-c3cccc4c(Cl)cccc34)nc2c1 226236868 WQJVSCNAQVJDRP-UHFFFAOYSA-N 336.778 4.823 0 40 EJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](C)CCc1ccccc1 408680979 UTEJRGZRALWQRQ-HNAYVOBHSA-N 345.870 4.635 0 40 EJAB Cc1ccc(Cc2cnc(NC(=O)CCc3ccc(C)o3)s2)cc1 91258 UPGFKJOUVXACSA-UHFFFAOYSA-N 340.448 4.515 0 40 EJAB Cc1nc2ccc(Cl)cc2c(=O)n1-c1ccc(Cl)c(Cl)c1 175636 HGXJIOYRLAQGEP-UHFFFAOYSA-N 339.609 4.654 0 40 EJAB Cc1ccccc1OCc1nnc(SC(C)C)n1-c1ccccc1 422431 UVZPUUSKBQTARJ-UHFFFAOYSA-N 339.464 4.655 0 40 EJAB S=C1N(c2ccccc2)[C@H](c2cccc3ccccc23)N2CCCN12 549998 SYJUGUGPKFQWAV-HXUWFJFHSA-N 345.471 4.566 0 40 EJAB CCc1c(C)sc2ncn3nc([C@H]4C[C@@H]4c4ccc(C)cc4)nc3c12 2808970 IXTIMDNXEMURGN-CVEARBPZSA-N 348.475 4.789 0 40 EJAB C[C@H](NC(=O)COc1ccccc1-c1ccccc1)c1ccccc1 3333969 OXZZDHLEOMDCOJ-KRWDZBQOSA-N 331.415 4.610 0 40 EJAB CCc1sc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1C 3343598 ACJNAQYJAVCFCG-UHFFFAOYSA-N 327.371 4.568 0 40 EJAB CCc1cc(CN2CCCCC2)c(NC(=O)c2ccccc2)s1 5677853 IQCPNCDUMCFCHJ-UHFFFAOYSA-N 328.481 4.549 0 40 EJAB O=C(O)c1cc(/C=C/c2ccccc2OC(F)F)nc2ccccc12 6049243 HXZXDFRTLNWLMO-MDZDMXLPSA-N 341.313 4.705 0 40 EJAB CCc1ccccc1NC(=O)CSc1nc2ccccc2s1 6061449 VTGVCGWRSNKJJD-UHFFFAOYSA-N 328.462 4.590 0 40 EJAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccnc1Cl 6254106 NNCZPHOBVGAIQK-UHFFFAOYSA-N 348.189 4.604 0 40 EJAB COc1ccc2cc([C@H](C)C(=O)Nc3cccc(C(C)=O)c3)ccc2c1 8076716 HJLGRYBVDPQPHQ-AWEZNQCLSA-N 347.414 4.793 0 40 EJAB Cc1ccc(-c2nc(C(=O)Nc3ccc4oc(C)nc4c3)cs2)cc1 8369345 AHZVQDVIWGLCPC-UHFFFAOYSA-N 349.415 4.820 0 40 EJAB O=C1c2ccccc2N[C@@H](c2cc3ccccc3o2)N1CC(F)(F)F 12517286 DGKOLFHCYCOUKK-MRXNPFEDSA-N 346.308 4.562 0 40 EJAB CC[C@@H](C)c1ccc(NC(=O)[C@@H](C)Oc2ccccc2OC)cc1 12922814 KCONPESHZMGZJV-HUUCEWRRSA-N 327.424 4.615 0 40 EJAB COc1ccc(N(Cc2ccccc2)C(=O)c2ccccc2F)cc1 16751150 GNQOVEHJHVBLMX-UHFFFAOYSA-N 335.378 4.681 0 40 EJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)c1ccc(F)cc1 20038652 NENOTJAKBDUDPM-SJKOYZFVSA-N 335.806 4.514 0 40 EJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NC1CCCCCC1 20457790 MNPYESJFFNMQRR-HXUWFJFHSA-N 325.452 4.836 0 40 EJAB Cc1cc2occ(CC(=O)NCc3ccccc3)c2c(C)c1Cl 39892948 BHEGCGMYDUXLEL-UHFFFAOYSA-N 327.811 4.562 0 40 EJAB COc1cccc(-c2nc(-c3ccco3)c(-c3ccco3)[nH]2)c1OC 39969194 WKBIQYYAQBRHAF-UHFFFAOYSA-N 336.347 4.614 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)c2ccc(OCc3ccccc3)cc2)o1 39975810 RNMSCJGHCWZEPO-MRXNPFEDSA-N 335.403 4.658 0 40 EJAB c1ccc(OCc2nc(COc3ccc4c(c3)CCC4)cs2)cc1 48311300 RIVXZOGAPXQOCH-UHFFFAOYSA-N 337.444 4.790 0 40 EJAB C[C@H](c1nc2ccccc2s1)N(C)Cc1ccc(-n2cccn2)cc1 52661804 YCGUEYOFIZCUCV-OAHLLOKOSA-N 348.475 4.675 0 40 EJAB CCc1ccc2nc(-c3ccc(N)cc3Br)sc2c1 73639308 GCYMJNMUNZWXMF-UHFFFAOYSA-N 333.254 4.870 0 40 EJAB COc1ccc(-c2nc(CSc3nc(C)c(C)s3)co2)cc1 76040563 OWDYDOIXNFZHQE-UHFFFAOYSA-N 332.450 4.716 0 40 EJAB c1csc(CCNc2nnc(SC3CCCCC3)s2)c1 89800002 CVYOMAPNWZYJIZ-UHFFFAOYSA-N 325.528 4.679 0 40 EJAB CCCCNC(=O)OC[C@@]12CO[C@H](CCC)[C@H](C(C)=C[C@@H]1C)[C@H]2C 100741694 FGCOUMUUNRBVMZ-ZIVNCQHPSA-N 337.504 4.546 0 40 EJAB CC1=C(O)[C@H]2C=CC=C[C@H]2[C@](O)(c2ccccc2)[C@@H]1c1ccccc1 104252660 ZCHJZBGEFBTBLF-OQLXKQOESA-N 330.427 4.862 0 40 EJAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)N[C@H](C)c1ccc(C)cc1C 113970335 XHNXFAFJPSGXDS-UYAOXDASSA-N 339.479 4.955 0 40 EJAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2c1ccn[nH]1 118917746 XUSSDKMAUSOQSK-GIPCDWCDSA-N 340.511 4.817 0 40 EJAB Cc1cc(N)c(NC(=O)c2ccccc2)cc1N1[C@@H](C)CCC[C@H]1C 216866769 DGWUGTJGKLDCDJ-IYBDPMFKSA-N 337.467 4.597 0 40 EJAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)Cc1ccc(C)c(C)c1 218809281 WQKKXHUFAPBZLQ-LJQANCHMSA-N 337.463 4.573 0 40 EJAB CC[C@@H](NC(=O)[C@H](C)Oc1cc(C)ccc1C)c1ccc(C)cc1C 219074154 DLYXYSOGYBIFLK-AZUAARDMSA-N 339.479 4.955 0 40 EJAB CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1ccc(OC(C)C)cc1 222959215 JEVTUZWPOVRROX-IBGZPJMESA-N 341.451 4.887 0 40 EJAB Cc1ccccc1CSCCCNC(=S)Nc1cccc(F)c1 225600730 GQAYFTRHJUJHJS-UHFFFAOYSA-N 348.512 4.744 0 40 EJAB Cc1ccc(-c2ccc(C(=O)O)o2)cc1NC(=O)c1ccccc1C 226356017 JORUPNXZNFYIEG-UHFFFAOYSA-N 335.359 4.514 0 40 EJAB C[C@H](Nc1ccc2c(c1)[C@H](C)CC(=O)N2C)c1ccc(F)c(F)c1 629269871 BMCHGFZUVHWHJD-NEPJUHHUSA-N 330.378 4.608 0 40 EJAB CCOc1ccc(NC(=O)N2[C@H]3CC[C@H]2CC(=C2CCC2)C3)cc1 1775971541 TWSNEQDNBMJUIQ-ROUUACIJSA-N 326.440 4.725 0 40 EJAB O=C(COc1ccccc1Cl)Nc1cc(Cl)cc(Cl)c1 486858 QVULRTOWDASTPP-UHFFFAOYSA-N 330.598 4.664 0 40 EJAB Cc1ccc(-c2cc(C(=O)N3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)no2)cc1 1059922 XLIVBXLQQPYEOV-KKSFZXQISA-N 338.451 4.691 0 40 EJAB O=c1c2c3c(sc2ncn1Cc1cccc2ccccc12)CCCC3 1971287 ZFENEENVDKQHSD-UHFFFAOYSA-N 346.455 4.538 0 40 EJAB CC[C@]1(C)C[C@](CCN(Cc2ccco2)C(C)=O)(C(C)C)CCO1 2110868 WECPRHUTBOEXOM-WOJBJXKFSA-N 335.488 4.640 0 40 EJAB biogenic O=C(NCc1cccc2ccccc12)C1(c2ccccc2)CCCC1 2512670 LISJWEGJPXDATJ-UHFFFAOYSA-N 329.443 4.968 0 40 EJAB O=C(Nc1cccc(OCc2ccccc2)c1)c1cccnc1Cl 2571063 HVCSYWUBVASGTG-UHFFFAOYSA-N 338.794 4.566 0 40 EJAB CC(C)(C)c1ccc(C2=N/C(=C\c3ccccc3Cl)C(=O)O2)cc1 4588280 GAXPTEFIIYKHQT-ATVHPVEESA-N 339.822 4.982 0 40 EJAB CC1=C[C@H](C)[C@H](CN(CCO)C[C@H]2[C@H](C)C=C(C)C[C@H]2C)[C@H](C)C1 4763833 KUFAUZJRIITNBN-BTOHRNCKSA-N 333.560 4.758 0 40 EJAB O=C(Nc1cccc(C(F)(F)F)c1)OCc1cnc(Cl)s1 6220764 FVBSLALPCHUWFE-UHFFFAOYSA-N 336.722 4.564 0 40 EJAB Cc1ccc(C(C)C)c(OCC(=O)N[C@H](C)CCc2ccccc2)c1 6375731 CTAZDELOTLZTFK-GOSISDBHSA-N 339.479 4.635 0 40 EJAB Cc1sc(-c2ccccn2)nc1-c1ccc(Br)cc1 7845222 DSLDEBVNZPFETD-UHFFFAOYSA-N 331.238 4.943 0 40 EJAB CCOc1ccccc1NC(=O)c1c(OCC)ccc2ccccc12 8382762 OXJKJBFTWIMQMP-UHFFFAOYSA-N 335.403 4.890 0 40 EJAB O=C(/C=C/c1ccc(F)c(Cl)c1)N1CCC[C@H]1c1ccccc1 9957004 AZVMALADNRISTP-CKDFRHGISA-N 329.802 4.856 0 40 EJAB O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(CN2CCCC2)cc1 10333133 RXSBINFXHFLVCT-UHFFFAOYSA-N 349.261 4.842 0 40 EJAB CC(=O)Oc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(C)=O 10339473 HPERBJQTDQGCJV-UHFFFAOYSA-N 339.778 4.683 0 40 EJAB Cc1cccc(C)c1NC(=O)c1ccc2c(c1)C(=O)c1ccccc1-2 10388102 RTMGWUGDLGCZHG-UHFFFAOYSA-N 327.383 4.767 0 40 EJAB CC[C@@H](C)c1ccccc1NC(=O)CSc1nc2ccccc2[nH]1 12540970 PUQBAIUYRWWUTG-CYBMUJFWSA-N 339.464 4.807 0 40 EJAB O=C(CCc1ncc(-c2ccccc2)o1)Nc1ccccc1Cl 14136894 VXIQCWRKIUAYQF-UHFFFAOYSA-N 326.783 4.566 0 40 EJAB Cc1cccc(-n2nc(C)c3c2C[C@@H](c2ccccc2C)CC3=O)c1 20632902 ONDQLKCOITYNEO-QGZVFWFLSA-N 330.431 4.710 0 40 EJAB CC(C)c1ccc(OC[C@@H](C)NC(=O)c2ccc(Cl)cc2)cc1 28290925 AOCOOAXDMOFETL-CQSZACIVSA-N 331.843 4.661 0 40 EJAB Fc1ccc(C2=CCN(Cc3c(C4CC4)[nH]c4ncccc34)CC2)cc1 57761909 OZXRTPBDOCVQKK-UHFFFAOYSA-N 347.437 4.869 0 40 EJAB CCN(Cc1ccccn1)C(=O)N[C@H](c1cc2ccccc2o1)C1CC1 84438838 SPTWYAUVWRQOSC-FQEVSTJZSA-N 349.434 4.511 0 40 EJAB O=C(Oc1ccccc1-c1ccccc1)[C@@H]1Cc2ccccc2S1 89851215 QJNZUZUMMPKFBL-FQEVSTJZSA-N 332.424 4.976 0 40 EJAB CC(C)c1ccc(NC(=O)C[C@@H](C)CC(=O)Nc2ccccc2)cc1 101552191 UVYQFCXVCFQJPQ-INIZCTEOSA-N 338.451 4.804 0 40 EJAB C[C@]12CC[C@@H]3[C@H](CC[C@@]4(C)CC5(CC[C@@]34C)OCCO5)[C@H]1CCC2=O 253617279 GOQSFMJREPWSEI-QGJLOBTQSA-N 346.511 4.731 0 40 EJAB O=C(N[C@H]1CCC(F)(F)C1)[C@@H](c1ccccc1)c1ccc(Cl)cc1 612490026 BAPKSJAIOVKUOG-IRXDYDNUSA-N 349.808 4.776 0 40 EJAB C[C@@H]1CCN(Cc2nc3ccccc3n2C(F)F)[C@@H]2CCCC[C@H]12 613416695 XNISAHDRTYMJOE-IIAWOOMASA-N 333.426 4.832 0 40 EJAB Cc1cc(-c2cc(F)ccc2OC[C@H]2CCOC2)c2cnccc2c1 630050536 HDESZFSYGDVQBV-HNNXBMFYSA-N 337.394 4.765 0 40 EJAB Cc1ccc(O[C@@]2(c3ccccc3)OC(=O)c3ccccc32)c(C)c1 174533 IDKALQUUIVVTIN-QFIPXVFZSA-N 330.383 4.754 0 40 EJAB CCn1c([C@H]2CC(=O)N(c3c(C)cc(C)cc3C)C2)nc2ccccc21 252300 HXFDEUCGDHJXHT-KRWDZBQOSA-N 347.462 4.502 0 40 EJAB CCCCCOC(=O)COc1cc(Cl)c(Cl)cc1Cl 1711131 BNANYJKQNHOIPC-UHFFFAOYSA-N 325.619 4.759 0 40 EJAB CSc1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2 1731589 VAKQWULGGDTKGR-UHFFFAOYSA-N 330.522 4.963 0 40 EJAB in-vitro FC(F)(F)c1cc(-c2nsc(Cl)n2)cc(C(F)(F)F)c1 2141797 UOZJPNRTFVDINU-UHFFFAOYSA-N 332.656 4.896 0 40 EJAB CCOc1ccc(C(=O)Oc2cccc3ccccc23)cc1OCC 3252469 RLODJFQRIAOVNA-UHFFFAOYSA-N 336.387 4.856 0 40 EJAB O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)[C@@H]1C[C@H]2CC[C@@H]1C2 4109609 NWMIBZXECKEBCV-ZKYQVNSYSA-N 332.856 4.838 0 40 EJAB Cc1cccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccccc2F)c1 4854267 ZKTWVUOOSCPDMT-FQEVSTJZSA-N 349.409 4.573 0 40 EJAB Cc1ccccc1NC(=O)Cc1csc(-c2ccccc2Cl)n1 5403463 FPSFIGXLFOPKQG-UHFFFAOYSA-N 342.851 4.953 0 40 EJAB Cc1cccc2sc(NC(=O)Cc3c(F)cccc3Cl)nc12 5617606 MPDDVSYTHRNTME-UHFFFAOYSA-N 334.803 4.578 0 40 EJAB CCOc1ccc([C@H](C)c2cc3c(cc2OCC)OCO3)c(C)c1 5841566 MLROCJRZHJKKLT-AWEZNQCLSA-N 328.408 4.673 0 40 EJAB CC(=O)c1ccccc1NC(=O)C1c2ccccc2-c2ccccc21 6085002 XUHNJNMYRKIXMA-UHFFFAOYSA-N 327.383 4.640 0 40 EJAB CC(C)c1ccccc1-n1c(S)nnc1-c1ccc(Cl)cc1 6146369 CZMIBAZISYHUNL-UHFFFAOYSA-N 329.856 5.000 0 40 EJAB O=C(Nc1oc2ccccc2c(=O)c1-c1ccccc1)C1CCCCC1 6814515 MGAAMVXPEATYAW-UHFFFAOYSA-N 347.414 4.979 0 40 EJAB CCNCc1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1 8227170 DAHVZDQYNXISOY-UHFFFAOYSA-N 340.250 4.691 0 40 EJAB O=C(CCC(=O)c1ccc(Cl)s1)N[C@@H]1CCCc2ccccc21 8988224 DMWJAEBBQGDHPC-CQSZACIVSA-N 347.867 4.558 0 40 EJAB Cc1cccc(NCC(=O)N2CC[C@H](C)Sc3ccccc32)c1C 12527047 DDCCSCYNGHCNFV-HNNXBMFYSA-N 340.492 4.633 0 40 EJAB COc1ccc(-c2nnc([C@H](C)Nc3cccc4c3CCCC4)o2)cc1 12555058 DSKVAQGAFMBOJL-AWEZNQCLSA-N 349.434 4.797 0 40 EJAB Cc1ccc(F)c(NC(=S)Nc2ccccc2C(F)(F)F)c1 13840289 VNNVQFWPPBINPP-UHFFFAOYSA-N 328.334 4.962 0 40 EJAB O=C(CCCc1cccs1)Nc1ccc(Br)cc1F 15008049 ADUPLYPEXUWRSB-UHFFFAOYSA-N 342.233 4.611 0 40 EJAB O=C(CNc1ccc(Cl)cc1F)Nc1ccc(C(F)(F)F)cc1 15122770 WUHDGXDJXROHMF-UHFFFAOYSA-N 346.711 4.549 0 40 EJAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(OC)cc1 19931807 BALGGTVZOLUPIQ-KRWDZBQOSA-N 349.883 4.536 0 40 EJAB Cc1ccc(-n2nc(C)c3c2C[C@@H](c2ccc(F)cc2)CC3=O)cc1 20633014 SVRACDZGBCAMOY-MRXNPFEDSA-N 334.394 4.541 0 40 EJAB O=C(Nc1ccc(Cl)cc1)c1cccnc1NCc1ccccc1 22072272 CFNICJBOCKFNKL-UHFFFAOYSA-N 337.810 4.599 0 40 EJAB O=C(N[C@@H](c1ccc2c(c1)CCCC2)c1cccs1)c1ccncc1 24658793 WEUWAKXLNMIHFT-FQEVSTJZSA-N 348.471 4.541 0 40 EJAB CNc1nnc(SCc2sc3ccccc3c2Cl)s1 25051869 IKBZFIMTUUVKMD-UHFFFAOYSA-N 327.887 4.740 0 40 EJAB Cc1ccc(-c2nnc(CN[C@@H](c3ccc(F)cc3)C(C)C)o2)cc1 25928656 KUGOIGHMXBJWJA-LJQANCHMSA-N 339.414 4.671 0 40 EJAB O=C(Nc1c(-c2cccs2)nc2ccc(Cl)cn12)c1ccco1 28225404 CQQQHQYOPAZIEH-UHFFFAOYSA-N 343.795 4.562 0 40 EJAB CCC(CC)C(=O)Nc1ccccc1-c1nc(-c2ccccc2)no1 32622131 CKXREWNEPITSGA-UHFFFAOYSA-N 335.407 4.778 0 40 EJAB C[C@@H](NC1CCN(Cc2ccccc2)CC1)c1cc2ccccc2o1 34878955 OKINKJRZLKXZEO-QGZVFWFLSA-N 334.463 4.748 0 40 EJAB O=C(Nc1cccnc1Oc1ccccc1)c1cc(Cl)ccc1F 40088000 FQNYAFZNRAURJF-UHFFFAOYSA-N 342.757 4.919 0 40 EJAB Cc1ccc(C)c([C@@H](C)NC(=O)[C@H](C)Oc2ccc(C)c(C)c2)c1 59351462 OTVIJUITKKKGLX-MSOLQXFVSA-N 325.452 4.565 0 40 EJAB CCOc1ccc(C(=O)c2cnc3ccc(C)cc3c2Cl)cc1 71775361 FJZIMOZVSGQHRM-UHFFFAOYSA-N 325.795 4.826 0 40 EJAB CC[C@H](C)Nc1ccc([C@@H]2CCCCN2C(=O)c2ccccc2)cn1 72213570 PQPUMGBUZNYLNW-LPHOPBHVSA-N 337.467 4.659 0 40 EJAB CCN(CC)CCSc1ncnc2scc(-c3ccccc3)c12 75319699 TYHJAVRBDZZTTR-UHFFFAOYSA-N 343.521 4.792 0 40 EJAB CCOC(=O)c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 96538913 DICNKVFMNAUFHM-UHFFFAOYSA-N 325.191 4.749 0 40 EJAB CSc1cccc(NC(=O)C23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)c1 102880407 WNGXPAXWHTYBLV-LGBHXNNWSA-N 335.900 4.925 0 40 EJAB CCC[C@@H](C)NC(=O)c1ccc(OC)c(CSc2ccccc2)c1 224330173 LFDGLWPEZIKKCI-OAHLLOKOSA-N 343.492 4.906 0 40 EJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NC[C@@H](C)c1ccccc1 224460108 SFPHTOUHFLNXDO-VGSWGCGISA-N 347.458 4.917 0 40 EJAB CCCC[C@@H](CC)CNC(=O)[C@@H](CC)Oc1ccc(Cl)cc1 224621873 QAOSRGSBYKFGGB-RHSMWYFYSA-N 325.880 4.830 0 40 EJAB CCOc1ccccc1NC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C 224887074 SZFBMUMSDGOFSM-MRXNPFEDSA-N 341.451 4.923 0 40 EJAB C[C@@H](CC(C)(C)c1ccccc1)NC(=O)Cc1cccc(Cl)c1 225092029 FWQFHCZIIVJCNX-HNNXBMFYSA-N 329.871 4.755 0 40 EJAB CC(=O)[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@@]2(C)[C@@H]3CC[C@]2(C)O)C1 257346309 XWDRJXANNWFPCX-PVDCFTIDSA-N 332.528 4.985 0 40 EJAB CC1(C)[C@@H]2CC(CCOC(=O)NC(=O)c3ccc(Cl)cc3)=C[C@H]1C2 103618 ACUJRDRFVKBRIY-LSDHHAIUSA-N 347.842 4.589 0 40 EJAB Cc1cccc(OCc2nnc(SCc3ccc(Cl)cc3)o2)c1 380972 SERRBOIDYYXNEA-UHFFFAOYSA-N 346.839 4.903 0 40 EJAB CCCCN(CCCC)Cc1cc(=O)oc2cc3c(cc12)CCC3 2413162 OWVKRTILCIBUDE-UHFFFAOYSA-N 327.468 4.684 0 40 EJAB biogenic COC(=O)[C@@]1(C)CCC[C@]2(C)c3cc(O)c(C(C)C)cc3CC[C@@H]12 4720788 LLPVUJKHELUZHR-NRSPTQNISA-N 330.468 4.699 0 40 EJAB CCOc1c(Cl)cc(C(=O)Nc2cc(C)ccc2C)cc1OC 6207079 UARMIVKWIREMMY-UHFFFAOYSA-N 333.815 4.616 0 40 EJAB Oc1cccc2c(Nc3ncnc4sc5c(c34)CCC5)cccc12 6923201 NMKVBWFYGULVOF-UHFFFAOYSA-N 333.416 4.782 0 40 EJAB c1ccc(Cc2nnc(SCc3cc(-c4ccccc4)on3)o2)cc1 7290790 QMMIQNQOHGHCRS-UHFFFAOYSA-N 349.415 4.608 0 40 EJAB Fc1cccc(-c2nc(-c3ccc4c(c3)OCCCO4)cs2)c1 8156722 VGBPYUDFVFENIS-UHFFFAOYSA-N 327.380 4.778 0 40 EJAB Cc1ccnc(NC(=O)c2ccc(C3SCCCS3)cc2)c1 9339221 NQOOKVINGINMSD-UHFFFAOYSA-N 330.478 4.511 0 40 EJAB Cc1cc2cc3c(nc2cc1C)OC(=O)N(Cc1ccc(F)cc1)C3 13226805 JQJPGQRCONBFLQ-UHFFFAOYSA-N 336.366 4.505 0 40 EJAB Cc1cc(C(=O)O)ccc1NC(=O)c1sc2ccccc2c1Cl 13391285 YUDVLGAHICDXND-UHFFFAOYSA-N 345.807 4.814 0 40 EJAB C[C@@H](NC(=O)CCC(=O)c1ccccc1)c1cccc(C(F)(F)F)c1 14118866 WHMAHWMWJJKZDL-CYBMUJFWSA-N 349.352 4.546 0 40 EJAB CC(C)(C(=O)Nc1ccc(Br)cc1F)c1ccccc1 19435571 VTCOLPQAGBDPKY-UHFFFAOYSA-N 336.204 4.505 0 40 EJAB Cc1cc(C)cc(Nc2nn(-c3ccccc3)c3c2C(=O)C[C@@H](C)C3)c1 20672015 UZLPXNOAAGUKRB-INIZCTEOSA-N 345.446 4.998 0 40 EJAB O=C(O)C/C(=C/c1ccc(C(F)(F)F)cc1)c1nc2ccccc2o1 21759663 MFZSACFOOXAQTO-XFXZXTDPSA-N 347.292 4.862 0 40 EJAB CC1CCN(C(=O)c2ccc(CN3CCCc4ccccc43)cc2)CC1 30864285 LXZDBSRBZORUJS-UHFFFAOYSA-N 348.490 4.512 0 40 EJAB Cc1ccn2c(NC(=O)[C@@H]3CC=CCC3)c(-c3ccccc3)nc2c1 32721472 VHBVSDGJZDRGQJ-QGZVFWFLSA-N 331.419 4.605 0 40 EJAB CC(C)(C)c1ccc(C(=O)c2c(F)c(F)c(F)c(F)c2F)cc1 95916149 MYMAJMRZQGWGOV-UHFFFAOYSA-N 328.280 4.911 0 40 EJAB CCOc1cccc2cc([C@H](C)N[C@H](C)c3cnc(C)nc3C)oc12 95967183 XYZVXJZMLQFPEP-OCCSQVGLSA-N 339.439 4.650 0 40 EJAB Cc1cccc2cc(C(=O)NCc3ccc(Cl)cc3Cl)oc12 226043803 CMWLUXSCFYISRJ-UHFFFAOYSA-N 334.202 4.978 0 40 EJAB O=C(Nc1cccs1)Nc1ccccc1-c1cn2c(n1)CCCC2 575618504 BUEZSBYTMOZYHN-UHFFFAOYSA-N 338.436 4.592 0 40 EJAB c1ccc(-c2nc(NCC[C@H]3CCCS3)c3ccccc3n2)cc1 1559247575 PBOFELUXQMXPIL-MRXNPFEDSA-N 335.476 4.994 0 40 EJAB COc1ccc(-c2nc3ccccc3nc2-c2ccccc2)cc1OC 387558 WQFWLPFTUVYYOL-UHFFFAOYSA-N 342.398 4.981 0 40 EJAB COc1cccc(-c2cnc(OC(C)(C)C)nc2OC(C)(C)C)c1 481007 RGTKYXHNGGNZIV-UHFFFAOYSA-N 330.428 4.507 0 40 EJAB Cc1cc(-c2noc(COc3cccc(C)c3C)n2)c2ccccc2n1 1442066 PWNAAVWUGXMYBO-UHFFFAOYSA-N 345.402 4.789 0 40 EJAB CCC[C@@H](C(=O)OCCN1CCCC12CCCCC2)C1CCCC1 1843287 VXWHBMILFDTMFQ-LJQANCHMSA-N 335.532 4.935 0 40 EJAB O=C(Cc1ccccc1Br)c1ccccc1C(F)(F)F 2393028 MCPUKYDFNVDYOT-UHFFFAOYSA-N 343.142 4.893 0 40 EJAB O=C1N(c2cccc(C(F)(F)F)c2)[C@H](c2ccc(F)cc2)C1(F)F 3179873 ANVZUBJKXRJHBJ-CYBMUJFWSA-N 345.242 4.568 0 40 EJAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N[C@@H](C)CCCC(C)C 3449340 OWGOJWGYZXCZMV-AWEZNQCLSA-N 347.890 4.779 0 40 EJAB COc1ccc(C(=O)OCC2c3ccccc3-c3ccccc32)cc1 4659156 UEPSEPGOTGQOBE-UHFFFAOYSA-N 330.383 4.665 0 40 EJAB C[C@@H](CCc1ccccc1)NC(=O)c1ccc(-c2ccc(F)cc2)o1 4673533 VFOHHJUJVGOCTD-HNNXBMFYSA-N 337.394 4.837 0 40 EJAB O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1cccc(Cl)c1 6881762 BJVNBKUMZWUAKH-UHFFFAOYSA-N 332.133 4.847 0 40 EJAB CCCOc1ccc(Oc2nc3cc(C)nn3c3ccccc23)cc1 7737805 BRYPWVBEZUREIQ-UHFFFAOYSA-N 333.391 4.772 0 40 EJAB O=C(/C=C/c1cccc(Cl)c1)N[C@@H](c1ccccc1)c1ccco1 7808762 CYEKOSQFXAVEPZ-SGWGQVFISA-N 337.806 4.852 0 40 EJAB Cc1ccc(Cl)cc1NC(=O)c1cnc2onc(C(C)C)c2c1 11479398 OLPZMGNCKCVWKX-UHFFFAOYSA-N 329.787 4.560 0 40 EJAB CCc1ccc(C(=O)c2c(-c3ccccc3)nc3sccn23)cc1 12541325 MRVQOBCIHJXYMX-UHFFFAOYSA-N 332.428 4.856 0 40 EJAB CC[C@H](NC(=S)Nc1ccc(Br)cc1)c1ccccc1 13931523 NSSHHOGCWGOHLT-HNNXBMFYSA-N 349.297 4.887 0 40 EJAB Cc1ccc2cccc(NC(=O)c3ccc(Br)cc3)c2n1 13946230 AFSOHMBVONVFNK-UHFFFAOYSA-N 341.208 4.558 0 40 EJAB Cc1cc2oc(C(=O)Nc3nc4c(s3)CCCC4)c(C)c2cc1C 15832130 KDIDEFJINUIZJN-UHFFFAOYSA-N 340.448 4.946 0 40 EJAB COc1cc(Cl)cc2c1OC=CC(C(=O)Nc1cccc(C)c1)=C2 15838658 BDPSCEPXJVUAOB-UHFFFAOYSA-N 341.794 4.585 0 40 EJAB CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(CC)C2=O)cc1Cl 17299843 ZSLJVQNWQXUPIK-ADVUTCEVSA-N 339.844 4.574 0 40 EJAB O=C(Nc1c(-c2ccc(F)cc2)nc2sccn12)c1ccsc1 18706231 RZSZZGMUXKYMTH-UHFFFAOYSA-N 343.408 4.516 0 40 EJAB c1ccc(-c2cc(-c3cccnc3)n3nc(-c4ccccc4)nc3n2)cc1 19960946 CDEAEHHNZNCKQQ-UHFFFAOYSA-N 349.397 4.520 0 40 EJAB CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)Cc1c(F)cccc1Cl 20337793 LSVPVYMPCCZPIV-XJKSGUPXSA-N 325.855 4.743 0 40 EJAB CC[C@H](Oc1cccc2ccccc12)C(=O)N1CCCc2ccccc21 30857248 ZVQHADBHNKPXCR-NRFANRHFSA-N 345.442 4.977 0 40 EJAB Cc1cccc(C(=O)Nc2nc(-c3c(F)cccc3F)cs2)c1C 32561405 WDRHHKWNLVGDIR-UHFFFAOYSA-N 344.386 4.957 0 40 EJAB COc1ccc(C(C)(C)C)cc1NC(=O)COc1cccc(Cl)c1 32942944 ASRKRIQTVIKMBF-UHFFFAOYSA-N 347.842 4.664 0 40 EJAB COc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@@]2(C)[C@@H](OCCF)CC[C@@H]12 33771935 DGIIPHVYWDBDOJ-NXNFSMPISA-N 332.459 4.906 0 40 EJAB Cc1ccc2nc(C3CCN(C(=O)Nc4ccccc4C)CC3)[nH]c2c1 35291866 RKNBHDPTQOQPKD-UHFFFAOYSA-N 348.450 4.591 0 40 EJAB CCn1c(SCc2ccccc2Cl)nnc1-c1ccccc1 50608755 OWVGBDJHMNQRGT-UHFFFAOYSA-N 329.856 4.911 0 40 EJAB CC(C)CN1CCCC[C@@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 72214340 YDMLKMFGJDTJEX-MRXNPFEDSA-N 333.476 4.612 0 40 EJAB CCOC(=O)c1ccc(-c2ccc(Br)cc2Cl)o1 73638312 AGARFPYTRNKTNG-UHFFFAOYSA-N 329.577 4.539 0 40 EJAB Cc1nccc(-c2cccc(NC(=O)c3sccc3C3CC3)c2)n1 84290750 LEWMRDFDBVLTSC-UHFFFAOYSA-N 335.432 4.643 0 40 EJAB Cc1cnc(C)n1-c1nc(-c2ccccc2)c2cc(Cl)ccc2n1 97105690 RXEBLUXWEHJRSD-UHFFFAOYSA-N 334.810 4.753 0 40 EJAB COc1cc(C)c([C@H](C)NC(=O)c2ccccc2C)cc1C(C)C 223262373 XOSNWIYQKFQQLK-INIZCTEOSA-N 325.452 4.926 0 40 EJAB Cc1cc(C)cc(O[C@H](C)C(=O)N[C@H](C)c2cc(C)c(C)cc2C)c1 223472588 AGVVYDJUVDBMLV-RTBURBONSA-N 339.479 4.873 0 40 EJAB Cc1nc(NC(=S)N[C@@H](C)c2ccccc2)c(Cl)cc1Cl 223954582 HEIUZMHWVZPOHK-VIFPVBQESA-N 340.279 4.744 0 40 EJAB CCCC[C@@H](CC)CNC(=O)[C@H](C)Oc1cccc2ccccc12 224287395 FNCDBQXUDCKGAT-DLBZAZTESA-N 327.468 4.940 0 40 EJAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCC1CCCCC1 224458102 DEFWWPANJQYFQV-IBGZPJMESA-N 325.452 4.694 0 40 EJAB CC[C@@H](NC(=S)Nc1ccc(OC)c(Cl)c1)c1ccccc1 225479921 SKMNGEROXJWXIA-OAHLLOKOSA-N 334.872 4.786 0 40 EJAB CCOc1cccc(NC(=S)N[C@@H](C)c2cc(C)ccc2C)c1 225537165 UQFNNKBEJZBBFS-HNNXBMFYSA-N 328.481 4.750 0 40 EJAB CC(C)C[C@]1(C)CCCN1C(=O)c1cc(C(F)(F)F)ccc1F 622637578 ANAOSYMQYKNVBC-INIZCTEOSA-N 331.353 4.885 0 40 EJAB COc1ccc(-c2nc3ccccn3c2NCc2ccccc2)cc1 319569 NFTFXWRJSDIZEK-UHFFFAOYSA-N 329.403 4.622 0 40 EJAB COc1cc2sc(NC(=O)c3cccc(C)c3)nc2cc1Cl 557375 ARMDYILAJXEZLJ-UHFFFAOYSA-N 332.812 4.519 0 40 EJAB O=C(Nc1ccccc1)OCc1cc(-c2ccc(Cl)cc2)on1 1394152 IPCFIQPBQANGGF-UHFFFAOYSA-N 328.755 4.744 0 40 EJAB Cc1ccc(-c2csc(-n3nc(-c4ccccc4)cc3N)n2)cc1 1415881 VBVOTHKZRAGWBH-UHFFFAOYSA-N 332.432 4.553 0 40 EJAB Cc1cc(C)c2oc(-c3cc(NC(=O)C(C)C)cc(C)c3O)nc2c1 4988497 NDNSYSKYJKYBIF-UHFFFAOYSA-N 338.407 4.720 0 40 EJAB Cc1ccc(C(C)C)c(OCCCCCCNC[C@@H]2CCCO2)c1 5856410 LHQBJAXIPLIGRV-IBGZPJMESA-N 333.516 4.826 0 40 EJAB Cc1ccc(CN(Cc2ccco2)C(=O)COc2ccc(C)cc2)cc1 6810672 UFXVUSIBUWFHDM-UHFFFAOYSA-N 349.430 4.504 0 40 EJAB c1csc(-c2cc(CSc3ncnc4ccccc34)no2)c1 7637130 HDJJLISSALRFBJ-UHFFFAOYSA-N 325.418 4.639 0 40 EJAB CSc1ccc(CN(C)[C@@H](C)c2nnc(-c3cccs3)o2)cc1 7918594 YLMHSGRFASYVHD-LBPRGKRZSA-N 345.493 4.713 0 40 EJAB CCCCc1ccc2nc(C)c(CN3CCCC[C@@H]3C)c(O)c2c1 8717224 ODNRMWTVUNTCHN-HNNXBMFYSA-N 326.484 4.966 0 40 EJAB COc1ccc(C)cc1N[C@H](C)C(=O)Nc1cccc2ccccc12 8728996 PTFPNVAXWAKIBM-OAHLLOKOSA-N 334.419 4.596 0 40 EJAB CCCSc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1 9176235 XHAXZZVFUFWFIS-UHFFFAOYSA-N 330.840 4.541 0 40 EJAB Cc1cccc(-c2noc(CCCC(=O)Nc3ccc(C)c(C)c3)n2)c1 9196400 UCMDWSOMRNSBLT-UHFFFAOYSA-N 349.434 4.623 0 40 EJAB CCc1ccccc1NC(=O)Cc1csc(-c2ccsc2)n1 9479427 HOOAVFXYJNCZPO-UHFFFAOYSA-N 328.462 4.615 0 40 EJAB CC(C)[C@H](NC(=O)Nc1cccc(Cl)c1)c1nc2ccccc2[nH]1 12602343 KVONCAHDUZURBP-INIZCTEOSA-N 342.830 4.735 0 40 EJAB C[C@@H]1CCCCN1Cc1cc(F)cc2c1O[C@H](c1ccccc1)OC2 16047204 QPCFTGNGVCQFQN-QVKFZJNVSA-N 341.426 4.808 0 40 EJAB c1ccc(CCN2COc3ccc4oc5ccccc5c4c3C2)cc1 19624912 QDTWXSRKRNDHGP-UHFFFAOYSA-N 329.399 4.981 0 40 EJAB Cc1ccc([C@H]2CC(=O)c3c(C)nn(-c4ccc(C)cc4)c3C2)cc1 20632983 LUMRGPMGJWDYIX-GOSISDBHSA-N 330.431 4.710 0 40 EJAB Cc1cc(C(=O)N(C)Cc2ccccc2N2CCCCC2)c(C)s1 24653464 JGHKWLMKEMZIGB-UHFFFAOYSA-N 342.508 4.627 0 40 EJAB C[C@@H](NC(=O)/C(=C/c1ccco1)c1ccccc1)c1ccc(F)cc1 38756433 CCRVRUYKSYJERG-NPQOUYBPSA-N 335.378 4.837 0 40 EJAB O=C(Nc1cccc(Br)c1)Nc1ccc(Cl)cc1F 51354356 VQOCWYXZSASPBI-UHFFFAOYSA-N 343.583 4.886 0 40 EJAB CC(=O)Nc1ccccc1OCc1coc(-c2ccccc2Cl)n1 60098383 QVCYWYXABCTIFV-UHFFFAOYSA-N 342.782 4.532 0 40 EJAB Cc1ccc(-c2nn3c(-c4cc5ccccc5o4)nnc3s2)cc1 96193778 VWMOJMZMWNXEJG-UHFFFAOYSA-N 332.388 4.574 0 40 EJAB O=C(O)CC/C(=C/c1ccccc1F)c1nc2ccccc2s1 96767635 WRLIFSWSUQUGRG-QBFSEMIESA-N 327.380 4.841 0 40 EJAB CC(=O)Nc1cc(NCc2ccc(C)cc2Br)ccc1C 97229642 DRALLGTTXLLIAU-UHFFFAOYSA-N 347.256 4.636 0 40 EJAB COc1ccccc1-c1nc(-c2ccc3c(c2)[C@H](C)C(=O)N3)cs1 101089405 IAIJWLNVDYHYEX-NSHDSACASA-N 336.416 4.541 0 40 EJAB Cc1cc(Cl)ncc1NC(=O)c1csc(-c2ccccc2F)n1 135858115 HKUURMFJDPBDDD-UHFFFAOYSA-N 347.802 4.558 0 40 EJAB CCN1C(=O)/C(=C\c2ccc(Cl)c(Cl)c2)c2ccccc2C1=O 222375998 FLFFCQNACFMZDZ-ZROIWOOFSA-N 346.213 4.536 0 40 EJAB S=C(NCC1(c2ccc(Cl)cc2)CCCC1)Nc1ccncc1 223977650 RXCHXGQMNKIQRZ-UHFFFAOYSA-N 345.899 4.533 0 40 EJAB COc1ccc([C@H](CC(C)C)NC(=O)Nc2ccccc2OC)cc1 225767754 BLBZFZXHDOPTEF-SFHVURJKSA-N 342.439 4.613 0 40 EJAB CCCOc1ccc(NC(=O)C2(OC)CCCCC2)c2ccccc12 225805881 YMZHYPFOJVIWTN-UHFFFAOYSA-N 341.451 4.916 0 40 EJAB CC1(C)Oc2c(O)cccc2[C@H]2O[C@H]3CCc4ccccc4[C@@H]3C[C@@H]21 257303041 SFNPYWZETKKMGD-QGZVKYPTSA-N 336.431 4.739 0 40 EJAB CCC(=O)N1CCCC[C@@H]1c1cc(-c2ccc(F)cc2)cc(C)n1 257330075 XMRDEJZXFKTWMX-LJQANCHMSA-N 326.415 4.660 0 40 EJAB CCCc1cc(C(=O)N2Cc3ccccc3C(C)(C)C2)sc1C 1127833640 IJEMUPHYKQVGGH-UHFFFAOYSA-N 327.493 4.943 0 40 EJAB O=C(Cc1ccccc1Cl)NCc1cc(-c2ccoc2)cs1 1775969662 FHUDRGDGHFELKA-UHFFFAOYSA-N 331.824 4.520 0 40 EJAB COc1cccc2c1OC13Oc4c(cccc4OC)C=C1CCCC3=C2 154869 ONSHTVOBFZONKV-UHFFFAOYSA-N 348.398 4.836 0 40 EJAB O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccncc1 258355 WXBOHWNGKSFRRM-UHFFFAOYSA-N 331.400 4.611 0 40 EJAB Cc1ccccc1-c1nnc(SCc2ccc(Cl)cc2)n1C 319312 IWIIFLFFEVXNCC-UHFFFAOYSA-N 329.856 4.736 0 40 EJAB Cc1cccc(Cc2cnc(NC(=O)CCc3ccc(C)o3)s2)c1 818330 FLCSWZFQFSWVLK-UHFFFAOYSA-N 340.448 4.515 0 40 EJAB CCOc1c(C)cc([C@@H](C)c2cc3c(cc2OC)OCO3)cc1C 1584150 RDZZOOYNBGZWRE-CQSZACIVSA-N 328.408 4.591 0 40 EJAB O=C(c1cccc(CN2CCCCC2)c1)c1cccc(C(F)(F)F)c1 2515023 AHKXKHXZHVVBTD-UHFFFAOYSA-N 347.380 4.922 0 40 EJAB COc1ccc(NC(=O)NCC(c2ccccc2)c2ccccc2)cc1 3123400 RYXVLVBGCNLXJZ-UHFFFAOYSA-N 346.430 4.649 0 40 EJAB O=C(Nc1nnc(-c2ccccc2)s1)c1ccc2ccccc2c1 4079002 YOLFEZJZLSVSLQ-UHFFFAOYSA-N 331.400 4.611 0 40 EJAB Cc1ccc(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1Cl 4715599 AZHSDRVOJSHDMK-IVKJLDKCSA-N 331.887 4.983 0 40 EJAB C[C@H]1CCc2nc3ccccc3c(C(=O)NC3CCCCCC3)c2C1 6112604 VFQZKTBXWXBIMF-HNNXBMFYSA-N 336.479 4.812 0 40 EJAB CCCCCNCc1cccc(OCC)c1OCc1ccccc1 7261347 AGCBHVONFDTWKU-UHFFFAOYSA-N 327.468 4.944 0 40 EJAB Cc1ccc(Cn2c([C@H](C)N3CCCCC3)nc3ccccc32)cc1 7343624 ZYXOUXHVJHAXIM-SFHVURJKSA-N 333.479 4.940 0 40 EJAB O=C(CNc1ccc(F)cc1)Nc1ccc(Oc2ccccc2)cc1 7971676 IXXHDZZULCTFFS-UHFFFAOYSA-N 336.366 4.669 0 40 EJAB CN(Cc1ccsc1)C(=O)c1ccc2noc(-c3ccccc3)c2c1 8185027 OHGGDDJIGPGHLL-UHFFFAOYSA-N 348.427 4.829 0 40 EJAB O=C(/C=C/c1ccc(-c2ccc(F)cc2)s1)OCc1cccnc1 11650334 JBSCCPOJXWKERQ-CSKARUKUSA-N 339.391 4.706 0 40 EJAB CCCn1c(S[C@H](C)c2ccc(F)cc2)nc2ccccc2c1=O 12772941 SWOODINMWBYBAU-CYBMUJFWSA-N 342.439 4.799 0 40 EJAB Cc1coc2c1c1c(c3oc(=O)c4c(c32)CCCC4)CCC(C)(C)O1 12896072 MGBDRGXUUAEZIR-UHFFFAOYSA-N 338.403 4.830 0 40 EJAB biogenic Cc1cccc(NC(=O)c2ccc(OCc3cscn3)cc2)c1C 12983053 CHIKKAHCOHKWGL-UHFFFAOYSA-N 338.432 4.591 0 40 EJAB C[C@]12CC[C@@H]3[C@H](CC[C@H]4CC(CC(=O)O)=CC[C@@]43C)[C@H]1CCC2=O 13408504 ZMIHCYKKQDEVNI-GLDUVZCJSA-N 330.468 4.609 0 40 EJAB Cc1ccc(NC(=S)Nc2ccc(Br)cc2F)cc1 13788469 IOZBHLNVIHOFDY-UHFFFAOYSA-N 339.233 4.706 0 40 EJAB CCCCNc1nc2ccccc2n1Cc1cc(-c2ccco2)on1 15552286 MDHKDNITRFZJJK-UHFFFAOYSA-N 336.395 4.545 0 40 EJAB Fc1ccc(CSc2nccn3nc(-c4ccccc4)cc23)cc1 16842532 RNYPRHZLMVNRNE-UHFFFAOYSA-N 335.407 4.828 0 40 EJAB C[C@@H](c1ccc(F)cc1)N(C)CCC(=O)Nc1cccc(Cl)c1 22200088 LEGTZNJPTWWNBT-ZDUSSCGKSA-N 334.822 4.501 0 40 EJAB CCc1sc(N)c(C(=O)OC)c1-c1ccc(Cl)cc1Cl 31861794 HZRUZLKBXOTOAR-UHFFFAOYSA-N 330.236 4.653 0 40 EJAB CCCCn1c(S[C@@H](C)c2nc(-c3ccco3)no2)nc(C)c1C 32809271 HHDWVDXKMFMTIR-ZDUSSCGKSA-N 346.456 4.796 0 40 EJAB CCc1nc(C)c2c(C)c(C(=O)N(C3CC3)[C@@H](C)C(C)C)sc2n1 58262690 YOACSGCXIDRRCA-ZDUSSCGKSA-N 345.512 4.520 0 40 EJAB CCc1ccc(O[C@@H](CC)C(=O)N[C@@H](CC)c2ccc(C)cc2)cc1 59351808 VGVZRPRSCLSJEW-SFTDATJTSA-N 339.479 4.982 0 40 EJAB CCc1ccc2oc(-c3ccc(NC(=O)CC(C)C)cc3O)nc2c1 70462052 OIMXODWNPFBQRQ-UHFFFAOYSA-N 338.407 4.747 0 40 EJAB CCOc1ccc(-c2nc(-c3ccccc3Cl)n[nH]2)cc1OCC 85385140 DTJYAOBOQXGAOT-UHFFFAOYSA-N 343.814 4.590 0 40 EJAB CC(C)=C[C@@H]1[C@@H](C(=O)OCc2ncc(-c3ccccc3)o2)C1(C)C 89914111 NGISNRZQKUCZRE-QAPCUYQASA-N 325.408 4.623 0 40 EJAB CC(=O)N1N=C(c2cccc(Cl)c2)C[C@@H]1c1ccc2ncccc2c1 95116802 KDDLDKRDPPJVTQ-HXUWFJFHSA-N 349.821 4.586 0 40 EJAB CCCCC[C@H](O)/C=C\[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)O 97528770 DPNOTBLPQOITGU-FNQWWAFDSA-N 338.488 4.504 0 40 EJAB FC(F)(F)c1c(Cl)cc(I)cc1Cl 136673618 PEQRQAJIWMEZQI-UHFFFAOYSA-N 340.897 4.617 0 40 EJAB Cc1ccc(N2CCC(C(=O)Nc3ccccc3Cl)CC2)cc1 219848876 QRTGHESEAFIMOU-UHFFFAOYSA-N 328.843 4.504 0 40 EJAB COc1ccc(C(=O)Nc2ccccc2C)cc1COc1ccccc1 224084652 CWKBJYOROLQKCU-UHFFFAOYSA-N 347.414 4.835 0 40 EJAB CC(C)(C)c1ccc(O[C@@H](Cc2cccc(Cl)c2)C(=O)O)cc1 225058701 CFJLIBARRWTEMX-KRWDZBQOSA-N 332.827 4.712 0 40 EJAB CCOc1ccc(C(=O)N[C@H](CC)c2ccc(C)cc2C)cc1C 225447954 WSIFVEHJKFPRHK-LJQANCHMSA-N 325.452 4.892 0 40 EJAB CCOc1ccc(NC(=O)[C@](C)(CC(C)C)OCC)cc1Cl 225691208 ZHYJVYFKGFZHBQ-KRWDZBQOSA-N 327.852 4.519 0 40 EJAB C[C@@H](O)c1ccc(NC(=O)c2cccc(OCc3ccccc3)c2)cc1 226273382 DPRJSJAODJIBRI-MRXNPFEDSA-N 347.414 4.571 0 40 EJAB O=C(c1ccccc1)C(Cc1ccc(Cl)nc1)C(=O)c1ccccc1 408730097 FIYQZSGUTOGYNY-UHFFFAOYSA-N 349.817 4.660 0 40 EJAB CCc1ccccc1NC(=O)c1c(C)nn(-c2ccccc2)c1Cl 258471 HRCSDKZVFFWVNT-UHFFFAOYSA-N 339.826 4.649 0 40 EJAB COc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccccc2F)cc1 501039 ZYCPFAQBMLDKPW-FQEVSTJZSA-N 348.377 4.605 0 40 EJAB CCOc1ccc(/C=C2\C(=O)N(C)c3ccccc32)c2ccccc12 575126 QEGFSDOPXQKSCF-RGEXLXHISA-N 329.399 4.756 0 40 EJAB COc1ccc(-c2noc([C@H](C)Oc3cccc(Cl)c3)n2)cc1 579631 DZTKMQCHZJNUAP-NSHDSACASA-N 330.771 4.539 0 40 EJAB CC(C)OP(=O)(OC(C)C)[C@H](O)c1ccccc1C(F)(F)F 2238315 MWTKZEQBKNPZEB-ZDUSSCGKSA-N 340.278 4.739 0 40 EJAB CC[C@H](C)c1ccc(NC(=O)CSc2nc(C)c(C)c(C)n2)cc1 2625885 XUZFXVSFWBUQTI-LBPRGKRZSA-N 343.496 4.646 0 40 EJAB CC(C)OP(=O)(OC(C)C)[C@H](N)CC12CC3CC(CC(C3)C1)C2 3900017 WUUDGCVRDYMTOY-LESVLKBLSA-N 343.448 4.921 0 40 EJAB biogenic CC(C)(C)c1ccc(C(=O)Nc2cccc(Oc3cnccn3)c2)cc1 4108374 WKQHAKWSRBPSAJ-UHFFFAOYSA-N 347.418 4.819 0 40 EJAB Cc1ccc(S(=O)(=O)Oc2cc(C)c(Cl)cc2C(C)C)cc1 4659230 IRNQOAFIRYEHCL-UHFFFAOYSA-N 338.856 4.848 0 40 EJAB C[C@H](NC(=O)C1c2ccccc2Oc2ccccc21)c1cccs1 5579009 NKBCFNRYMLRSFM-ZDUSSCGKSA-N 335.428 4.863 0 40 EJAB Cc1ccc(-n2c(=S)[nH]c3sc4c(c3c2=O)CCCC4)c(C)c1 6016940 SXZBDYBQWCVDFC-UHFFFAOYSA-N 342.489 4.605 0 40 EJAB CC1=C(C)[C@H](c2cn(C)c3ccccc23)N(CCc2ccccc2)C1=O 6417386 NSMLPKZBRTVFBX-JOCHJYFZSA-N 344.458 4.641 0 40 EJAB O=C(Cc1ccc(Br)cc1)Nc1ccc2ccccc2c1 6832564 SKBLOLXXNGGONR-UHFFFAOYSA-N 340.220 4.784 0 40 EJAB Cc1ccccc1/N=C/c1cc(Cl)c(OCC(=O)O)c(Cl)c1 8570819 YFHQTSFNGYHKQD-UFWORHAWSA-N 338.190 4.516 0 40 EJAB O=C(NC(=S)Nc1ccccc1)c1cccc2c(Cl)cccc12 9064074 DDWDEEANEYEBCH-UHFFFAOYSA-N 340.835 4.620 0 40 EJAB Cc1ccc(C)c2sc(NC(=O)c3cccc(OC(C)C)c3)nc12 9141256 VONUXYJVJHLQAK-UHFFFAOYSA-N 340.448 4.953 0 40 EJAB Cc1[nH]c2ccc(C(=O)Nc3nc(-c4ccccn4)cs3)cc2c1C 9656807 KBZRQPHTIHBATH-UHFFFAOYSA-N 348.431 4.556 0 40 EJAB O=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)c1cccc(F)c1 10119998 RLMNKMROHHKYPJ-UHFFFAOYSA-N 346.361 4.810 0 40 EJAB Cc1ccccc1[C@H](C)NC(=O)c1sc(-c2cccs2)nc1C 12860679 AALOQOOGLWNAEV-LBPRGKRZSA-N 342.489 4.979 0 40 EJAB COc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)cc1 14577232 DKOJCTVARLVGRZ-NRFANRHFSA-N 331.415 4.523 0 40 EJAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccoc1C 19684250 MFKXPFQYKQSKMK-UHFFFAOYSA-N 327.302 4.648 0 40 EJAB C[C@@H](OC(=O)c1cccnc1Oc1ccccc1)c1ccc(F)cc1 23219555 ULJFSZGLDYRUIO-CQSZACIVSA-N 337.350 4.931 0 40 EJAB C[C@H](NC(=O)CCc1ccccc1O)c1ccc(Cl)cc1Cl 23555689 ZIRDYTBQWRYTMP-NSHDSACASA-N 338.234 4.509 0 40 EJAB C[C@H]1CCc2nc(NC(=O)c3occc3-c3ccccc3)sc2C1 25280192 JBFRACXQDWWNTE-LBPRGKRZSA-N 338.432 4.780 0 40 EJAB O=C(c1cc2c(s1)CCCCCC2)N1CCC[C@H]1c1ccncc1 25512202 GVZDFOOGYKVCLM-KRWDZBQOSA-N 340.492 4.779 0 40 EJAB COc1ccc2nc(C)c(C(=O)Nc3c(C)cc(C)cc3C)cc2c1 25765233 KOGGWCRXJNVCSF-UHFFFAOYSA-N 334.419 4.729 0 40 EJAB Cc1ccccc1Cn1nc(C)c(NC(=O)CCC2CCCC2)c1C 27921988 YFQNMMAFMYXIJI-UHFFFAOYSA-N 339.483 4.766 0 40 EJAB Cc1cc(C(=O)Nc2ccc(OCC(F)(F)F)cc2)sc1C 32865076 VADNTMQYNIRPQA-UHFFFAOYSA-N 329.343 4.558 0 40 EJAB c1ccc(-c2nn(-c3ccccc3)cc2CNc2ccccn2)cc1 60847385 MWYNQOTVVPEDOC-UHFFFAOYSA-N 326.403 4.546 0 40 EJAB Cc1cccc(C)c1Oc1ccccc1NC(=O)/C=C/c1cnccn1 65836364 IPOXSDMAWGFNHJ-ZHACJKMWSA-N 345.402 4.538 0 40 EJAB C[C@@H](Nc1cccc(NC(=O)c2ccoc2)c1)c1ccc(F)c(F)c1 95958791 VBUCHYYKJBNLIO-GFCCVEGCSA-N 342.345 4.983 0 40 EJAB COc1ccc([C@H](NCc2cc(C)on2)c2ccccc2Cl)cc1 96417400 YVYZWVVSRXFALF-IBGZPJMESA-N 342.826 4.524 0 40 EJAB Cc1ccccc1Cc1nnc(CN[C@@H]2C[C@H](C)CC[C@H]2C(C)C)o1 108382313 HDQQIMLHXLPZFI-AYOQOUSVSA-N 341.499 4.519 0 40 EJAB CC[C@H](Oc1ccc(C)cc1C)C(=O)N[C@@H](C)c1cc(C)ccc1C 113970606 VLBFNSMPFPMDJI-ICSRJNTNSA-N 339.479 4.955 0 40 EJAB C[C@H](N[C@@H](C[C@@H]1CCOC1)c1ccccc1)c1nc2ccccc2o1 192746186 HVDCYEUGZSLQNM-BXWFABGCSA-N 336.435 4.646 0 40 EJAB Cc1cc(C)c([C@@H](C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1C 223441605 PJHPXLPLMADSTO-CVEARBPZSA-N 345.870 4.910 0 40 EJAB Cc1ccc(/C=C/C(=O)NCCOc2ccccc2C(C)(C)C)cc1 223670320 ZCIMDWNQDQTELI-BUHFOSPRSA-N 337.463 4.501 0 40 EJAB CCOc1ccc(C[C@H](Sc2ccc(Cl)cc2)C(=O)O)cc1 225108384 BGTNRWQPTQYSFQ-INIZCTEOSA-N 336.840 4.527 0 40 EJAB CCCC[C@@H](C(=O)OC)N1c2cc(OC)ccc2[C@H](C)CC1(C)C 260612679 AIDBFBKFOLNUAO-PBHICJAKSA-N 333.472 4.519 0 40 EJAB COc1ccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c(C)c1 409130390 HPDPXCZAMYYRKH-GZTJUZNOSA-N 345.464 4.620 0 40 EJAB CN(C(=O)c1cccc(Cl)c1)c1nc(-c2ccccc2)cs1 932623 SBLLJHHUWNVYDW-UHFFFAOYSA-N 328.824 4.740 0 40 EJAB Cc1cccc(C)c1Nc1nnc(S[C@@H]2CCCCC2=O)s1 3313094 VOAAGGPFFMCOGC-CYBMUJFWSA-N 333.482 4.502 0 40 EJAB C[C@H](NC(=O)CSc1cccc(C(F)(F)F)c1)c1ccccc1 3455458 RPROVBJKJBDBEV-LBPRGKRZSA-N 339.382 4.675 0 40 EJAB Cc1cc(Cl)ccc1OCCCC(=O)N[C@H](C)c1ccccc1 4696111 BZVUWGKTLKZCGR-OAHLLOKOSA-N 331.843 4.685 0 40 EJAB O=C(Cc1ccc(F)cc1)Nc1ccccc1-c1nc2ccccc2[nH]1 5155409 NTFTZVJZTGAGGG-UHFFFAOYSA-N 345.377 4.550 0 40 EJAB COc1ccc(Cc2nnc(SCc3ccccc3Cl)o2)cc1 6230415 NMRJINTWBUHVEC-UHFFFAOYSA-N 346.839 4.615 0 40 EJAB Oc1nc(/C(Cl)=C/c2ccc(OC(F)F)cc2)nc2ccccc12 6909533 ZAHLHAIISVIRLJ-LCYFTJDESA-N 348.736 4.674 0 40 EJAB Clc1nc2ccccc2cc1COc1ccc(-c2nnco2)cc1 7441125 DUAZYZRPNDYOLM-UHFFFAOYSA-N 337.766 4.517 0 40 EJAB CC[C@@H](C)c1ccc(OCCCn2c(CO)nc3ccccc32)cc1 8710271 DCTHJYMQWIVMAD-MRXNPFEDSA-N 338.451 4.511 0 40 EJAB CC[C@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(OC)cc1 8718992 RKGQGMMDHOXIEZ-INIZCTEOSA-N 337.341 4.595 0 40 EJAB CCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)c1cccs1 9938161 UBAAFMDMEXNWAQ-UHFFFAOYSA-N 327.449 4.989 0 40 EJAB O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1 10922537 LSNNKYMNZLBJKO-DUXPYHPUSA-N 338.259 4.653 0 40 EJAB Cc1ccc(CNc2ncc(-c3ccsc3)c(-c3cccnc3)n2)o1 12144366 YOFVILLHLYXQGY-UHFFFAOYSA-N 348.431 4.781 0 40 EJAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](C)c1cccs1 12816773 SKIQSLQVLOJNQJ-ZJUUUORDSA-N 344.263 4.700 0 40 EJAB Cc1ccc2cc3c(nc2c1C)OC(=O)N(Cc1ccccc1F)C3 13227578 MPWHGHNDCCPRAF-UHFFFAOYSA-N 336.366 4.505 0 40 EJAB COc1ccc2cc(CN3c4ccccc4C[C@@H]3C)c(Cl)nc2c1 14672785 ANPDPOCHALHZAZ-ZDUSSCGKSA-N 338.838 4.848 0 40 EJAB Cc1c([C@@H]2c3ccccc3C(=O)N2C(C)(C)C)c2ccccc2n1C 23289085 DQKHAGSNWYDTAH-FQEVSTJZSA-N 332.447 4.830 0 40 EJAB O=C(Nc1ccc(F)cc1F)N1CCC[C@@H]1c1ccccc1Cl 46018644 FSPSDDVECOOQQR-MRXNPFEDSA-N 336.769 4.987 0 40 EJAB Cc1cc([C@H]2CCCN2Cc2csc(Nc3ccccc3)n2)on1 48251686 DCUYNJLMPBIEQO-MRXNPFEDSA-N 340.452 4.520 0 40 EJAB COc1cc([C@@H](C)NC(=O)c2ccsc2)ccc1OC1CCCC1 48339915 QHUAYSFESDPTLH-CYBMUJFWSA-N 345.464 4.569 0 40 EJAB CC(C)C[C@@H](C)N(C(=O)COC1CCCC1)c1ccc2[nH]ccc2c1 58222829 TYYMOWHOYMHMFA-MRXNPFEDSA-N 342.483 4.895 0 40 EJAB CCc1ccc(O[C@@H](CC)C(=O)N[C@@H](C)c2cc(C)ccc2C)cc1 59351537 PNYFQDZILXGCMZ-UWJYYQICSA-N 339.479 4.901 0 40 EJAB Cc1cccc([C@H]2CC(c3ccco3)=NN2C(=O)c2ccccc2C)c1 96012473 PZKRFJDOJOVOHU-HXUWFJFHSA-N 344.414 4.888 0 40 EJAB COc1ccc(-c2nc(S)c(-c3ccc(Cl)cc3)[nH]2)cc1OC 102922364 MCQUVYJGBSIOJN-UHFFFAOYSA-N 346.839 4.703 0 40 EJAB CC(C)(C)OC(=O)N1CCC[C@H]1c1ccc(F)c(Br)c1 199830312 ARDAHWPIQGJSKM-ZDUSSCGKSA-N 344.224 4.660 0 40 EJAB CCc1ccc(O[C@@H](CC)C(=O)Nc2cccc(SC)c2)cc1 222879607 AOQMMAISUNDZSW-SFHVURJKSA-N 329.465 4.767 0 40 EJAB CSc1cccc(NC(=O)[C@H](C)Oc2cccc3c2CCCC3)c1 225060207 WJEYWARYFZSKMS-AWEZNQCLSA-N 341.476 4.693 0 40 EJAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NC(C)(C)Cc1ccccc1 225527927 WWUZFYMRVDGIRY-FQEVSTJZSA-N 339.479 4.598 0 40 EJAB CCCO[C@](C)(C(=O)Nc1cc(C)c(OCC(C)C)c(C)c1)C1CC1 225674428 CTGYNJQIJACKEA-NRFANRHFSA-N 347.499 4.872 0 40 EJAB CCOc1cccc(NC(=S)NC2(c3ccccc3)CCCC2)c1 225862162 IKPCLSOKUYUKFF-UHFFFAOYSA-N 340.492 4.841 0 40 EJAB COc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)c(C)n1 225866378 IOAFXLQKUGMZJY-UHFFFAOYSA-N 338.451 4.548 0 40 EJAB CSc1cccc(C(=O)N2CCCC[C@@H]2CSC(C)(C)C)c1 390832495 ZSAVPDPFEQULRN-OAHLLOKOSA-N 337.554 4.935 0 40 EJAB CCc1cccc2c(CN3CCC[C@H](c4nccs4)C3)c[nH]c12 2037850005 GXABLHXGBLALQP-HNNXBMFYSA-N 325.481 4.566 0 40 EJAB C[C@@H](c1ccccc1)N(C(=O)Nc1ccccc1)C1=NC[C@@H](C)S1 503374 WRLMYLQCBSGTDJ-CABCVRRESA-N 339.464 4.773 0 40 EJAB CCc1cccc(C)c1NC(=O)COc1c(C)cc(C)cc1Cl 513706 ORRJANSHOLCUBC-UHFFFAOYSA-N 331.843 4.845 0 40 EJAB Cc1ccccc1Cn1c(COc2ccccc2)nc2ccccc21 551553 CTTNGKFCZMRGCE-UHFFFAOYSA-N 328.415 4.972 0 40 EJAB CC(C)Oc1ccc([C@H](CC(=O)Nc2nccs2)C(C)C)cc1 553282 WSTLLHGYYSJOTH-MRXNPFEDSA-N 332.469 4.699 0 40 EJAB O=C(/C=C/c1ccc(Br)o1)Nc1cccc2ccccc12 3180841 WICYDPWHMSIGID-PKNBQFBNSA-N 342.192 4.847 0 40 EJAB Cc1cccc(C)c1NC(=O)Cn1cc(C(=O)C(C)C)c2ccccc21 4478316 FJMWMEMTPIQYCC-UHFFFAOYSA-N 348.446 4.736 0 40 EJAB O=C(CCSCc1ccc(Cl)c(Cl)c1)Nc1cccnc1 4973388 XNJHXBGSTGSEGS-UHFFFAOYSA-N 341.263 4.650 0 40 EJAB CSc1cccc2sc(NC(=O)/C=C/c3cccs3)nc12 5299244 CBJWDHHHSQQROE-BQYQJAHWSA-N 332.475 4.732 0 40 EJAB O=C(Nc1ccccc1)c1ccccc1C(=O)c1ccc(Cl)cc1 5604014 DKVZEAMTOMSMLK-UHFFFAOYSA-N 335.790 4.823 0 40 EJAB CCCCOc1ccc2ccccc2c1/C=C1\SC(=O)N(C)C1=O 6323453 AQHRTNWASSSTGS-ATVHPVEESA-N 341.432 4.685 0 40 EJAB C[C@H](CNC(=O)c1ccc(C2SCCS2)cc1)c1ccccc1 8167696 VKGSMQLBNZUURS-CQSZACIVSA-N 343.517 4.699 0 40 EJAB O=C(CSc1ccc(Cl)cc1)Nc1ccc2ncsc2c1 10217351 FIOJEBPGPROYSF-UHFFFAOYSA-N 334.853 4.681 0 40 EJAB COc1ccccc1-c1nc2ccccc2c(C)c1Br 19413810 HGIBWYDYTYOTBM-UHFFFAOYSA-N 328.209 4.981 0 40 EJAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccc(F)c(Cl)c2)c1 20495043 ZBHVGFUYVNFURN-ZDUSSCGKSA-N 335.806 4.810 0 40 EJAB Cc1ccn(-c2ccc(NC(=O)Nc3ccc(F)c(Cl)c3)cc2)n1 28219818 NJSRWBGKIALDBP-UHFFFAOYSA-N 344.777 4.617 0 40 EJAB Cc1cccc(NC(=O)CSc2ccnc3ccc(Cl)cc23)c1 32616727 XDSCJNCQBKXSEW-UHFFFAOYSA-N 342.851 4.927 0 40 EJAB CC1(C)C[C@@H](NC(=O)Nc2cccc(Cl)c2)c2ccccc2O1 40409952 XLGOWECUGUJUGS-OAHLLOKOSA-N 330.815 4.764 0 40 EJAB CCCCOC(=O)c1ccc(NC(=O)Nc2ccc(F)cc2F)cc1 51354091 JYOVRRFXVBGCHH-UHFFFAOYSA-N 348.349 4.566 0 40 EJAB O=C(Nc1nc(-c2ccccc2)cs1)c1cc(-c2ccccc2)on1 58390664 URGOZSWPALESQY-UHFFFAOYSA-N 347.399 4.717 0 40 EJAB Fc1cc(F)cc(NC(=S)Nc2ccc(Br)cc2)c1 71761050 NZBZEYSPVQLFBK-UHFFFAOYSA-N 343.196 4.536 0 40 EJAB Brc1ccc([C@@H]2CCCCN2Cc2ccccc2)cn1 72211580 YUVABGLADCUINI-INIZCTEOSA-N 331.257 4.571 0 40 EJAB c1ccc(CN2CCCC[C@H]2c2cccnc2N2CCCCC2)cc1 72216129 TXJVYQRUGVRPAO-NRFANRHFSA-N 335.495 4.799 0 40 EJAB C[C@@H]1CCCN(C(=O)N[C@@H](c2ccccc2)c2cc3ccccc3o2)C1 84697468 JDKXIXWXHOYWSX-IERDGZPVSA-N 348.446 4.964 0 40 EJAB COc1ccccc1NC(=O)N(Cc1ccoc1)Cc1cccs1 90612230 QOULGKIPSGCARS-UHFFFAOYSA-N 342.420 4.584 0 40 EJAB CCOc1ccc(C(=O)N[C@@H](CC)c2ccc(C)cc2C)cc1C 225447924 WSIFVEHJKFPRHK-IBGZPJMESA-N 325.452 4.892 0 40 EJAB Cc1ccc(C)c(NC(=O)CSCc2ccc(Cl)cc2F)c1 225615006 QYZHSSZBLNVXQD-UHFFFAOYSA-N 337.847 4.968 0 40 EJAB CCCCOc1ccc(NC(=O)C2(C)CCCC2)c2cccnc12 225881277 MBHAHDCDWSBWSY-UHFFFAOYSA-N 326.440 4.933 0 40 EJAB Cc1cc(N)cc2nc(/C=C/c3ccc(Br)cc3)oc12 226249869 OBICDTBMQVOKFB-QPJJXVBHSA-N 329.197 4.651 0 40 EJAB CCN1C(=O)S/C(=C/c2ccc(Sc3ccccc3)cc2)C1=O 409099237 QZHHUGOVAPGAQA-FOWTUZBSSA-N 341.457 4.894 0 40 EJAB O=C(COc1ccccc1)c1cccc(OCc2cccc(F)c2)c1 575242816 OGNABWUIRLDRPK-UHFFFAOYSA-N 336.362 4.666 0 40 EJAB Cc1oc(C(=O)O)cc1CN1CCCCC[C@H]1/C=C\c1ccccc1 575929354 XHCPFVLQJLXSNA-JZHDPFOFSA-N 339.435 4.744 0 40 EJAB O=C(NCC1(c2ccsc2)CC1)c1ccc(Cl)cc1Cl 1888921988 QTVPQIJAQVSJID-UHFFFAOYSA-N 326.248 4.517 0 40 EJAB Cc1cccc(NC(=O)Nc2cc(C(F)(F)F)cc(Cl)n2)c1 165324 RCWLJGNGDAOMOJ-UHFFFAOYSA-N 329.709 4.706 0 40 EJAB Cc1cc2ccc(C)c(C)c2nc1SCC(=O)N1CCC(C)CC1 412479 GWWPOJKVJYJYFK-UHFFFAOYSA-N 342.508 4.511 0 40 EJAB CC1(C)C(=O)C(C)(C)C12O[C@@](c1ccccc1)(C(F)(F)F)CS2 478291 VIKOOWXPYXPQTB-HNNXBMFYSA-N 344.398 4.539 0 40 EJAB CCO[C@]12c3ccccc3O[C@H](c3ccccc3)[C@H]1C2(Cl)Cl 974573 TUHXFTQSJNJHPZ-BRWVUGGUSA-N 335.230 4.856 0 40 EJAB Cc1cc(C(=O)CCCC(=O)c2cc(C)c(O)c(C)c2)cc(C)c1O 1680957 WAFVKZSSATUCSS-UHFFFAOYSA-N 340.419 4.567 0 40 EJAB O=C(Cc1ccc(Cl)c(Cl)c1)NCc1ccccc1Cl 2644192 HAFPFQYULTULPS-UHFFFAOYSA-N 328.626 4.506 0 40 EJAB C[C@@H](OC(=O)c1cc(F)cc(F)c1)C(=O)c1ccc(C(C)(C)C)cc1 3422262 LSYSKSDFGIUWOW-GFCCVEGCSA-N 346.373 4.691 0 40 EJAB O=C(Nc1ccc(F)cc1)c1cc(-c2ccco2)nc2ccccc12 3549376 WHFSVRLQHXNXCU-UHFFFAOYSA-N 332.334 4.886 0 40 EJAB C[C@H](C(=O)O)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 4024648 NPBNRBWMDNZEBN-DFMSTVSLSA-N 346.511 4.647 0 40 EJAB biogenic,in-vitro Cc1ccc(-n2c(C)nc3c(c(C)c(C)n3-c3ccccc3)c2=N)cc1 4627570 WOWTVQBJTJJSNG-UHFFFAOYSA-N 342.446 4.529 0 40 EJAB CC(C)CC[C@@]1(CC(=O)Nc2cncs2)CCO[C@H](C(C)C)C1 8992118 VVVCWIBWABJZOL-MAUKXSAKSA-N 338.517 4.729 0 40 EJAB O=C(Nc1ccc2c(c1)OCCCO2)c1ccc(-c2ccccc2)cc1 11758735 YQFSXKLTYBGONT-UHFFFAOYSA-N 345.398 4.767 0 40 EJAB Cc1ccc(C)c(CSCC(=O)N[C@@H]2CCCc3ccccc32)c1 12566973 JOSYTUKGCVFZOQ-HXUWFJFHSA-N 339.504 4.730 0 40 EJAB CCCn1c(S[C@@H](C)c2ccc(F)cc2)nc2ccccc2c1=O 12772937 SWOODINMWBYBAU-ZDUSSCGKSA-N 342.439 4.799 0 40 EJAB Cc1cc(C)cc(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)c1 12853133 OSXXMGMGIYPBTQ-UHFFFAOYSA-N 348.450 4.759 0 40 EJAB CSc1ccc(Cl)c(C(=O)Nc2cccc3cccnc23)c1 12926961 ARTQCZOUVDDJQI-UHFFFAOYSA-N 328.824 4.862 0 40 EJAB CSc1ccc(NC(=O)c2cc(C)n(Cc3ccco3)c2C)cc1 13001140 QLWSFRVOMSEXFC-UHFFFAOYSA-N 340.448 4.720 0 40 EJAB COC(=O)/C=C(\C)CC[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C(=O)O)=CCC[C@H]12 13401019 CCDSRPQULZAXRF-LIECZFJOSA-N 348.483 4.749 0 40 EJAB biogenic CCCCc1ccc(N2C(=O)CS[C@@H]2c2ccc(F)cc2)cc1 17198469 XAXLNZQZFACRHH-LJQANCHMSA-N 329.440 4.947 0 40 EJAB O=C(COc1ccc(F)cc1)Nc1ccc(Oc2ccccc2)cc1 19935054 BQHKVQMXZHXFDV-UHFFFAOYSA-N 337.350 4.636 0 40 EJAB C[C@@H](NC(=O)CCc1ccc(C(C)(C)C)cc1)c1ccc(F)cc1 20041762 KIDMBWUYAUNMMX-OAHLLOKOSA-N 327.443 4.933 0 40 EJAB Cc1[nH]c2ccc(C(=O)N(C)Cc3ccc(Cl)s3)cc2c1C 23643897 VLUSXKIAVQQRKR-UHFFFAOYSA-N 332.856 4.772 0 40 EJAB Cc1nc2cc(NC(=O)c3cccnc3Oc3ccccc3)ccc2o1 24348136 OQDDNWGAMIOFTO-UHFFFAOYSA-N 345.358 4.576 0 40 EJAB C[C@H](NCc1cccc2cccnc12)c1cccc(Br)c1 28925723 WXTYAZXBAQKCIT-ZDUSSCGKSA-N 341.252 4.848 0 40 EJAB C[C@@H]1CCCCN1C(=O)c1cn(Cc2ccccc2)c2ccccc12 32901811 IRSWFGVIWCEMSD-QGZVFWFLSA-N 332.447 4.704 0 40 EJAB O=C(Nc1ccccc1COc1ccccc1)c1ccnc(Cl)c1 40157009 ZGIUXDIKKNDFMT-UHFFFAOYSA-N 338.794 4.566 0 40 EJAB Fc1ccc(NC(=S)Nc2cccc(OC(F)(F)F)c2)c(F)c1 43568819 FIYDJBYOQBNBJE-UHFFFAOYSA-N 348.296 4.672 0 40 EJAB CC[C@H](Oc1ccccc1C)C(=O)N[C@@H](CC)c1ccc(C)cc1 44900533 XLTLCBSEBSLCNG-OALUTQOASA-N 325.452 4.728 0 40 EJAB COc1ccc(Oc2cc(CNc3nc4ccccc4o3)ccn2)cc1 52427268 UKIUXYFLHSXNHT-UHFFFAOYSA-N 347.374 4.636 0 40 EJAB Cc1ccc([C@@H]2CSCCN2C(=O)Nc2cccc(C)c2)cc1 84148758 DGODQHPMJDZAFH-SFHVURJKSA-N 326.465 4.625 0 40 EJAB Cc1cccc(NC(=O)NCCc2c(C)[nH]c3c(C)ccc(C)c23)c1 96182560 XQFMZZIBWLDDGQ-UHFFFAOYSA-N 335.451 4.766 0 40 EJAB O=C(O)Cc1onc(-c2ccccc2)c1Sc1ccc(Cl)cc1 96191099 IZWKIWWXVWTLMM-UHFFFAOYSA-N 345.807 4.773 0 40 EJAB CC[C@H](Oc1ccc(C)cc1C)C(=O)NCCCc1cccc(C)c1 222965793 UAERXXNNPFRUNN-FQEVSTJZSA-N 339.479 4.518 0 40 EJAB CCOc1ccc(C(=O)Nc2cccc(F)c2)cc1COCC(C)C 224736504 BSRPGFMUELEBDF-UHFFFAOYSA-N 345.414 4.649 0 40 EJAB COc1c(C)cc(NC(=O)C2(c3ccccc3F)CCCC2)cc1C 225517937 YDEYVBWQGRDOHM-UHFFFAOYSA-N 341.426 4.902 0 40 EJAB Nc1cc(Cl)ccc1NC(=O)c1ccc(-c2ccc(F)cc2)o1 226347974 MWLVDXNHFVBNTQ-UHFFFAOYSA-N 330.746 4.574 0 40 EJAB CC[C@H](C)N1C(=O)S/C(=C/c2ccc(OCC(C)C)cc2)C1=O 409018046 XENRCAYGEDFLJQ-RKPNYOAGSA-N 333.453 4.556 0 40 EJAB CCOc1ccc(Cl)cc1/C=C1/SC(=O)N([C@H](C)CC)C1=O 409097113 LMIMNZOACZOIPZ-GMROUXNLSA-N 339.844 4.574 0 40 EJAB Nc1c(Br)cc(C2CCCCC2)cc1Br 152815 HWWWUEPYMLJAJK-UHFFFAOYSA-N 333.067 4.842 0 40 EJAB O=C(Oc1ccc(Br)cc1)c1ccc(Cl)cc1Cl 325098 WNLSWBYAYZEJPU-UHFFFAOYSA-N 346.007 4.975 0 40 EJAB Cc1ccc2nc(SCC(=O)Nc3ccc(F)cc3)c(C)cc2c1 420916 JWXJCADXVZXHCX-UHFFFAOYSA-N 340.423 4.722 0 40 EJAB Cc1cc(SCC(=O)N2CCCc3ccccc32)nc2ccccc12 421436 ILQPZDVYGFYYRK-UHFFFAOYSA-N 348.471 4.615 0 40 EJAB CCCCN(CCCC)CC(=O)c1ccc(Br)cc1 1598630 AFZZPOJYXXVIIF-UHFFFAOYSA-N 326.278 4.534 0 40 EJAB Cc1c(CCNC(=O)c2ccc(F)cc2)ccc2c1[nH]c1ccccc12 1716598 QQLZWTYOBBQDID-UHFFFAOYSA-N 346.405 4.741 0 40 EJAB CC1(C)C[C@H](CNCC[C@@H](c2ccc(F)cc2)c2ccco2)CCO1 1821196 PVZQSKKTJZATRH-APWZRJJASA-N 345.458 4.736 0 40 EJAB CCn1cc(CC[C@H](C)NC(=O)c2ccc(F)cc2)c2ccccc21 3765547 UFDHMGMQXJJYBE-HNNXBMFYSA-N 338.426 4.551 0 40 EJAB CCCNC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccc(C)cc2)n1 5891843 XZZQZTFXIPMMHO-UHFFFAOYSA-N 343.430 4.831 0 40 EJAB biogenic CCn1c(CSCc2ccc(Cl)cc2Cl)n[nH]c1=S 5909233 ZFUIERSCXXIDFR-UHFFFAOYSA-N 334.297 4.701 0 40 EJAB CC(=O)[C@H](Sc1nc(C)cc(-c2ccccc2)n1)c1ccccc1 6203214 QMKFKEPRPGTJGR-IBGZPJMESA-N 334.444 4.874 0 40 EJAB CC[C@@H](C)c1ccc(NC(=O)[C@@H](C)N(C)Cc2ccccc2F)cc1 6872953 BZMUUPYJEWJFRW-HZPDHXFCSA-N 342.458 4.798 0 40 EJAB CC(C)(C)c1ccc(CCC(=O)NCCSCc2ccco2)cc1 10329510 DBCDQAICLUVPBM-UHFFFAOYSA-N 345.508 4.559 0 40 EJAB Cc1cc(C)cc(NS(=O)(=O)Cc2c(Cl)cccc2Cl)c1 13678239 UFRQKRZGICWRNE-UHFFFAOYSA-N 344.263 4.552 0 40 EJAB COc1ccc(C)cc1[C@H](C)NC(=O)/C=C/c1ccc([C@H]2C[C@@H]2C)o1 16235757 HYCPIHNPNGVLPJ-OXSPJYMCSA-N 339.435 4.611 0 40 EJAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)C(CC)CC 20159013 OOFTUCUVINNTPD-UHFFFAOYSA-N 345.464 4.967 0 40 EJAB CC(=O)c1ccc(Oc2nc(-c3ccncc3)nc3ccccc23)cc1 24039997 VGNPQVPZVNRMNB-UHFFFAOYSA-N 341.370 4.687 0 40 EJAB Cc1ccc(CN(C)C(=O)CSCc2cccc(Cl)c2)cc1 30752817 FKWGSWXHHQTBIG-UHFFFAOYSA-N 333.884 4.540 0 40 EJAB Cc1[nH]c2ccc(C(=O)N(C)Cc3ccc(Cl)cc3)cc2c1C 30844529 WKXDXEGZGVXHRW-UHFFFAOYSA-N 326.827 4.710 0 40 EJAB CC(C)Cc1nnc(NC(=O)Nc2cccc(Cl)c2Cl)s1 32611062 CEYLSSVAMRIJDN-UHFFFAOYSA-N 345.255 4.687 0 40 EJAB Cc1ccc(/N=C2\NC(=O)/C(=C\c3ccccc3Cl)S2)cc1 35647350 GMCVEIOLENIZSD-XNTDXEJSSA-N 328.824 4.540 0 40 EJAB Cc1ccc(C(=O)[C@H](Sc2cnccn2)c2ccc(C)cc2)cc1 72298277 IYJMEZALYPUXBW-HXUWFJFHSA-N 334.444 4.810 0 40 EJAB Fc1cccc(-c2cccc([C@H]3CCCN(Cc4ccccn4)C3)n2)c1 72348925 KBLNUCCYFBCFJU-SFHVURJKSA-N 347.437 4.662 0 40 EJAB O=C(O)c1ccccc1Nc1ccnc2c(Cl)cc(Cl)cc12 78401484 JDDGRYCMRKAABC-UHFFFAOYSA-N 333.174 4.983 0 40 EJAB CCOC(=O)c1csc(-c2cccc(OCc3ccccc3)c2)n1 90470934 SSXQYAVTKXTMJY-UHFFFAOYSA-N 339.416 4.566 0 40 EJAB Cc1ccc(CN[C@@H](C)c2ccc(Oc3cccnc3)c(F)c2)nc1 95416689 OPFHXODUGVALLU-HNNXBMFYSA-N 337.398 4.567 0 40 EJAB CCOCc1ccccc1NC(=O)N(CC)[C@H](CC)c1ccncc1 96418004 XHHCMKOTLOCWRO-LJQANCHMSA-N 341.455 4.623 0 40 EJAB CCSc1ccccc1NC(=O)[C@@H](CC)Oc1ccc(OC)cc1 216236567 YSIOBQKWMGWIFE-QGZVFWFLSA-N 345.464 4.603 0 40 EJAB O=C(COc1cccc2c1CCCC2)Nc1cccc2ccccc12 225471416 MAYPPKFHALZUKA-UHFFFAOYSA-N 331.415 4.736 0 40 EJAB CC[C@H](NC(=S)Nc1ccc(OC(C)C)cc1)c1ccccc1 225481516 PRPAQUAVIGOELW-SFHVURJKSA-N 328.481 4.912 0 40 EJAB COc1ccc(NC(=S)NC2CCCCCCC2)cc1Cl 225517141 OCLVTTWZFKIOIU-UHFFFAOYSA-N 326.893 4.748 0 40 EJAB COc1ccccc1[C@@H]1Nc2ccc(C(=O)O)cc2[C@H]2[C@H]3CC[C@@H](C3)[C@@H]21 245257962 IZWUCCUWLLDQMI-UCCCNAJCSA-N 349.430 4.690 0 40 EJAB CCOC1CC2(CCN(C[C@@H](C)c3ccc(C(F)(F)F)cc3)C2)C1 512826041 BIDPPDUQVDHRDW-RWBZWWBESA-N 341.417 4.700 0 40 EJAB Cc1ccc2sc(C(=O)N3CCC[C@@H]3c3csc(C)n3)cc2c1 584084968 OIFAELWYVPBAMQ-OAHLLOKOSA-N 342.489 4.952 0 40 EJAB Cc1c(Cl)cccc1-n1nnnc1-c1ccc(C(C)(C)C)cc1 411273 CXGYBIOMJXYPSB-UHFFFAOYSA-N 326.831 4.589 0 40 EJAB C[C@H]1C[C@@H](c2nc(-c3cccc(Br)c3)cs2)CCO1 497076 YNLILRFUBKENFI-JQWIXIFHSA-N 338.270 4.855 0 40 EJAB Cc1ccc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 1358613 ICCCFRVOFPOVHQ-UHFFFAOYSA-N 336.460 4.625 0 40 EJAB O=C(c1cccc(CN2CCCCC2)c1)c1ccccc1C(F)(F)F 2515022 ROOUZWKSHJZISN-UHFFFAOYSA-N 347.380 4.922 0 40 EJAB CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2557148 ILCTUFVQFCIIDS-KRUBMYLRSA-N 332.484 4.530 0 40 EJAB COc1ccc(C(=O)CNc2cccc(Oc3ccccc3)c2)cc1 3296546 WSGZEMIINVZTFQ-UHFFFAOYSA-N 333.387 4.782 0 40 EJAB C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N(C)C1CCCCC1 3348168 VIGUFBWERMJIAM-NSHDSACASA-N 329.271 4.585 0 40 EJAB COc1ccccc1Nc1nnc(SCc2cccc(F)c2)s1 3363778 IJTWWLGMTYSWLG-UHFFFAOYSA-N 347.440 4.722 0 40 EJAB Cc1ccccc1N1C(=O)S[C@@H](Nc2ccc(C(C)C)cc2)C1=O 3647930 XXTHDLNZLMKPAT-QGZVFWFLSA-N 340.448 4.756 0 40 EJAB CCOc1ccc(C(c2ccc(OCC)cc2)C2CCNCC2)cc1 4776315 SLBWETXQSUZRES-UHFFFAOYSA-N 339.479 4.616 0 40 EJAB COc1cccc(OC)c1OCCCCCCN1C[C@@H](C)C[C@@H](C)C1 4836884 BPLNDHPQMGBONF-HDICACEKSA-N 349.515 4.621 0 40 EJAB CCCCN(CCCC)S(=O)(=O)c1cc(Cl)ccc1Cl 5419579 UUTIEZLXJXNIQC-UHFFFAOYSA-N 338.300 4.584 0 40 EJAB CCCc1nc2sc3c(=S)nc[nH]c3c2c2c1COC(C)(C)C2 5822852 WQICTKCACUBZDX-UHFFFAOYSA-N 345.493 4.706 0 40 EJAB COc1cc2c(cc1NC(=O)Cc1ccccc1F)oc1ccccc12 6581246 OHDLZPCRBFMJNG-UHFFFAOYSA-N 349.361 4.915 0 40 EJAB c1ccc(-c2cc3c(SC[C@H]4CCCO4)ncnc3s2)cc1 6602312 YHCHTSMYBVKGPR-CYBMUJFWSA-N 328.462 4.629 0 40 EJAB Cc1cc(C(=O)Nc2nc(-c3cc(F)ccc3F)cs2)c(C)o1 6968677 COKKHEMSPNHITE-UHFFFAOYSA-N 334.347 4.550 0 40 EJAB Cc1ccc(-c2csc(NC(=O)C3(c4ccccc4)CC3)n2)s1 7735688 ACECVVVVWPTQRR-UHFFFAOYSA-N 340.473 4.850 0 40 EJAB Cc1cccn2c(NC(=O)[C@@H]3CC=CCC3)c(-c3ccccc3)nc12 7987813 YUNGRSTVLLAWFV-QGZVFWFLSA-N 331.419 4.605 0 40 EJAB Cc1nc(NCCc2ccccn2)c2c(-c3ccccc3)csc2n1 8149239 BHFMHNMBGPGRSJ-UHFFFAOYSA-N 346.459 4.716 0 40 EJAB Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C\c2ccsc2)S1 8277688 AXZBOHMJHZPANS-NTUHNPAUSA-N 334.853 4.602 0 40 EJAB CC(=O)[C@H](Sc1nnc2cc(C)c3ccccc3n12)c1ccccc1 8429117 RCMWGUQMMBARHB-IBGZPJMESA-N 347.443 4.613 0 40 EJAB O=C(CCc1ccccc1)N1N=C(c2ccccc2)C[C@@H]1c1ccco1 8734928 UWVKKZSIVKUROQ-HXUWFJFHSA-N 344.414 4.590 0 40 EJAB CCc1nc2ccccc2n1CC(=O)Nc1ccc(C(C)(C)C)cc1 9378248 WRIBLLUYYPANQE-UHFFFAOYSA-N 335.451 4.535 0 40 EJAB Cc1ccc2nc(-c3ccc(NC(=O)c4ccno4)cc3)sc2c1 10253797 FXQZIPPKTXYKFQ-UHFFFAOYSA-N 335.388 4.512 0 40 EJAB Cc1cnc(NC(=O)[C@H](C)c2ccc(-c3ccccc3)c(F)c2)s1 12407531 VMBKYGOMLSZGIQ-CYBMUJFWSA-N 340.423 5.000 0 40 EJAB CC(C)c1ccc(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc1 12574369 RKQWTHASFAOVEK-IBGZPJMESA-N 333.435 4.664 0 40 EJAB C[C@H](NCc1coc(-c2ccc(Cl)cc2)n1)c1cccc(F)c1 12799101 HZBIVEBVXWDBTI-LBPRGKRZSA-N 330.790 4.985 0 40 EJAB C[C@H](Oc1ccc(F)cc1)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 12947551 AAVRHBDEERLXEG-KPZWWZAWSA-N 347.817 4.514 0 40 EJAB Cc1ccc(Nc2nnc(Nc3ccc(C)cn3)c3ccccc23)nc1 13212996 CBTJRVOLBJJBLS-UHFFFAOYSA-N 342.406 4.524 0 40 EJAB O=C(Cc1cccc2ccccc12)Nc1cc(-c2ccccc2)no1 13624405 PSDVXQGVKHTKRH-UHFFFAOYSA-N 328.371 4.676 0 40 EJAB CCCOc1ccc(Br)cc1C(=O)Nc1cccc(C)c1 14651611 KJYPFZDPXKQZDP-UHFFFAOYSA-N 348.240 4.799 0 40 EJAB C[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(Cl)cc1 15340284 NWERHAUROMUNIV-NSHDSACASA-N 340.275 4.790 0 40 EJAB CSCc1cccc(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)c1 16490046 IEOFUOMPOXHWDS-UHFFFAOYSA-N 341.263 4.691 0 40 EJAB Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1cccc(Cl)c1C 28237883 ZMQRAMBCNLAZGV-UHFFFAOYSA-N 339.826 4.703 0 40 EJAB Cc1ccc(-c2noc(Cc3nc(-c4ccccc4)cs3)n2)cc1 33298160 RCDDRBGVOVDFFY-UHFFFAOYSA-N 333.416 4.759 0 40 EJAB Fc1cccc(COc2ccccc2C(=S)N2CCCCC2)c1 33692525 SLWQQNGWSTWDCF-UHFFFAOYSA-N 329.440 4.566 0 40 EJAB c1cncc(CNC[C@H](c2cccs2)c2c[nH]c3ccccc23)c1 61014007 LCARFNAGLFSNAL-SFHVURJKSA-N 333.460 4.546 0 40 EJAB CCOc1ccc(OCC)c(NC(=S)Nc2cc(F)ccc2C)c1 71761564 RRMXAKXHVSEJTD-UHFFFAOYSA-N 348.443 4.740 0 40 EJAB CC(C)c1nccn1-c1cccc([C@@H]2CCCN2Cc2ccccc2)n1 72379085 BTFRQMZLMLUPSI-FQEVSTJZSA-N 346.478 4.728 0 40 EJAB Cc1cc(OCCCC(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)ccc1Cl 104745354 KDRWISDSIVSYKX-CVYDXHPNSA-N 349.902 4.748 0 40 EJAB Cc1ccc2c(c1)[C@H](NC(=O)c1cc3ccccc3o1)CC(C)(C)O2 219948466 GWWHXTZTHRHTKE-MRXNPFEDSA-N 335.403 4.773 0 40 EJAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1cccc(OC(C)C)c1 222959296 ZVXRWRBRWDJPGZ-LJQANCHMSA-N 341.451 4.887 0 40 EJAB CC[C@@H](NC(=O)[C@H](C)Oc1ccccc1)c1ccc2c(c1)CCCC2 223105223 SLMRRSDFOOQKMP-HRAATJIYSA-N 337.463 4.600 0 40 EJAB CC[C@@H](Oc1ccccc1Cl)C(=O)NC(C)(C)CC(C)(C)C 224439956 AZJACTVVWRFVLC-CQSZACIVSA-N 325.880 4.828 0 40 EJAB Cc1cc(C)c(C[C@@H](Oc2cccc3ccccc23)C(=O)O)c(C)c1 225137113 JEEIRHWHLVTXPI-OAQYLSRUSA-N 334.415 4.840 0 40 EJAB CC(C)c1ccc(NC(=O)c2cc3cccc(Cl)c3oc2=O)cc1 226039369 ILRDPUMKMQVHSW-UHFFFAOYSA-N 341.794 4.822 0 40 EJAB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(N2CCCC2)cc1 408675986 DCBLFFXZQQJWTC-UHFFFAOYSA-N 335.234 4.846 0 40 EJAB Cc1ccc(NC(=O)c2c(C)nn(-c3ccccc3)c2Cl)cc1C 44665 KDAXIVMMXFLDFF-UHFFFAOYSA-N 339.826 4.703 0 40 EJAB COc1cc2c(cc1OC)C(c1ccc(Cl)cc1)=NC(C)(C)C2 519468 VNLSVJYUZWXTAM-UHFFFAOYSA-N 329.827 4.529 0 40 EJAB biogenic O=C(c1ccccc1)N1N=C(c2cccs2)C[C@H]1c1cccs1 522062 WIEIGQJCHVWDFQ-HNNXBMFYSA-N 338.457 4.801 0 40 EJAB CC(C)OC(=S)SCC(=O)c1ccc(-c2ccccc2)cc1 1743808 KJEAREBGAZHABP-UHFFFAOYSA-N 330.474 4.979 0 40 EJAB O=C(c1cccc(CN2CCCC2)c1)c1cccc(Cl)c1Cl 2515084 ARDYNEROAUNCGD-UHFFFAOYSA-N 334.246 4.820 0 40 EJAB C[C@H](Sc1ccc(Cl)cc1)C(=O)NC12CC3CC(CC(C3)C1)C2 5863579 WAOWDWDYYPCOGX-UHSVVUDUSA-N 349.927 4.906 0 40 EJAB Cc1ccc(-c2n[nH]c(SCc3nc4ccccc4s3)n2)cc1 5865912 OLQBHFILRAQSSK-UHFFFAOYSA-N 338.461 4.682 0 40 EJAB O=C(N[C@@H](c1ccc(F)cc1)c1cccs1)c1cc(F)cc(F)c1 7737493 JZEUHGBPDKYQGW-KRWDZBQOSA-N 347.361 4.685 0 40 EJAB Cc1ccc(C)c(OCC(=O)N[C@@H](C)c2ccc3ccccc3c2)c1 8185126 OOZYGCZKKITIJK-KRWDZBQOSA-N 333.431 4.713 0 40 EJAB Cc1nc2ccc(Oc3ccccc3)cc2c(O)c1CN1CCCC1 8572523 FQMKRNNCUWLCFS-UHFFFAOYSA-N 334.419 4.637 0 40 EJAB CC(C)CNC(=O)[C@@H](C)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 9547995 CZVHTUAPZNBQBZ-LBPRGKRZSA-N 328.843 4.850 0 40 EJAB O=C(Nc1cc(-c2ccc(F)c(F)c2)no1)c1ccccc1Cl 11914845 OUCLYCOMSNCJEC-UHFFFAOYSA-N 334.709 4.526 0 40 EJAB COc1cccc(NC(=S)Nc2ccc(C(F)(F)F)cc2)c1 13747943 XCVCYGYEUNYBOL-UHFFFAOYSA-N 326.343 4.523 0 40 EJAB CC(=O)NCc1ccc(-c2nc(-c3ccc(F)cc3)sc2C)s1 14093723 GRPCCKSKVXQHTI-UHFFFAOYSA-N 346.452 4.622 0 40 EJAB CC(=O)Nc1ccc(CN[C@@H](C)c2cccc(C(F)(F)F)c2)cc1 14168503 XBJCJBGPJFKXGZ-LBPRGKRZSA-N 336.357 4.515 0 40 EJAB CC[C@@H](NC(=O)[C@H](C)Oc1cccc(C)c1C)c1ccc(C)cc1 20454858 YFKNUPKPDIULHY-PKOBYXMFSA-N 325.452 4.647 0 40 EJAB CCOc1ccc(NC(=O)[C@H](CC)Oc2ccccc2Cl)cc1 20456555 MADQZGCYDNISLK-INIZCTEOSA-N 333.815 4.535 0 40 EJAB O=C(Nc1ccccc1)Nc1ccc(NC(=O)C2CCCCC2)cc1 23011037 LQOJCELIHAYVLF-UHFFFAOYSA-N 337.423 4.849 0 40 EJAB O=C(CSCc1ccc(F)cc1Cl)Nc1ccc(F)c(F)c1 23413355 VTGLWNFITHVBQX-UHFFFAOYSA-N 345.773 4.629 0 40 EJAB O=C(N[C@@H]1CCSc2c(F)cccc21)c1cc2c(s1)CCCC2 28043538 GRMSDYDBLPUCRW-CQSZACIVSA-N 347.480 4.733 0 40 EJAB O=C(c1c(F)cccc1Cl)N(Cc1ccc2cc[nH]c2c1)C1CC1 32088457 CPUDEXFSAKUMGY-UHFFFAOYSA-N 342.801 4.765 0 40 EJAB Cc1cnc2c(c1)nc(C1CCCCC1)n2Cc1ccc(C(=O)O)cc1 36324987 YFAWXXBLVPFIFK-UHFFFAOYSA-N 349.434 4.534 0 40 EJAB CCN(C)c1cccc(NC(=O)N2CCC[C@H]2c2ccccc2C)c1 58323191 OARJDUISCYSJCY-FQEVSTJZSA-N 337.467 4.820 0 40 EJAB Cc1cnc(CN[C@H](c2ccccc2)c2nc(C(C)(C)C)cs2)o1 95966863 LGAUJEFKQMFLQS-QGZVFWFLSA-N 341.480 4.616 0 40 EJAB CC(C)c1noc(-c2ccccc2NC(=O)c2ccccc2Cl)n1 96346529 WLSSCCBSGBJMOU-UHFFFAOYSA-N 341.798 4.766 0 40 EJAB Cc1cccc(CCCNC(=O)[C@H](C)Oc2ccc3ccccc3c2)c1 219025476 GIPGVYQESFGHSZ-SFHVURJKSA-N 347.458 4.665 0 40 EJAB C[C@@H](NC(=O)c1ccc(N2CCCCC2)cc1)c1ccc2c(c1)CCC2 223196640 PCIUPCIHUJBTBN-QGZVFWFLSA-N 348.490 4.657 0 40 EJAB COc1ccc(C(=O)N2CCCC2)cc1CSc1ccc(C)cc1 224340147 XDHMLTJEDBMOKZ-UHFFFAOYSA-N 341.476 4.532 0 40 EJAB COc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccccc2C)cc1C 224475118 HJEGMNNGDLSFKN-QFIPXVFZSA-N 345.442 4.831 0 40 EJAB Cc1cc(O[C@H](Cc2cc(Cl)ccc2C)C(=O)O)ccc1Cl 225077281 QHNQWXPVPHAGME-MRXNPFEDSA-N 339.218 4.685 0 40 EJAB Cc1ccc(O[C@H](Cc2ccc(Oc3ccccc3)cc2)C(=O)O)cc1 225109241 YJYDKNONAHAXSM-OAQYLSRUSA-N 348.398 4.862 0 40 EJAB Cc1ccc(NC(=S)NCCCSCc2ccccc2)cc1C 225595845 IXKNOUVCLNEJAD-UHFFFAOYSA-N 344.549 4.913 0 40 EJAB CCC[C@](C)(OCC)C(=O)Nc1ccc(OCC)c(C(F)(F)F)c1 225821271 XAFDHHKJGSDXAX-INIZCTEOSA-N 347.377 4.638 0 40 EJAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1nnc(-c2ccccc2Cl)s1 247840122 FBLJVCBHQZBBNU-SRVKXCTJSA-N 347.871 4.623 0 40 EJAB CC(C)CCn1ncc(NC(=O)N2CCC[C@@H]2C2CCC2)c1C(C)C 572576835 KUQZYIYGGMIZKN-GOSISDBHSA-N 346.519 4.849 0 40 EJAB C[C@H]1CC[C@H](NC(=O)c2ccccc2SCc2cscn2)CC1 594560612 JGPGXVURIYFAIO-HDJSIYSDSA-N 346.521 4.744 0 40 EJAB O=C(Nc1nc2ccc(F)cc2s1)c1ccc(Cl)c(Cl)c1 1263208 RAGBGWZTYXPNGR-UHFFFAOYSA-N 341.194 4.995 0 40 EJAB O=C(Nc1ccccc1)c1cc2cc(Br)ccc2s1 1386248 DUJHHTZZQBYBIV-UHFFFAOYSA-N 332.222 4.916 0 40 EJAB COc1cc(NCCCN(CC(C)C)CC(C)C)c2ncccc2c1 1656118 YULHIVWGMIOUAZ-UHFFFAOYSA-N 343.515 4.659 0 40 EJAB CC(=O)c1sc(NC(=O)C2CCCCC2)nc1-c1ccccc1 3229479 QWRRYBHQSGXIBN-UHFFFAOYSA-N 328.437 4.532 0 40 EJAB CCOc1ccc(/C=C2/N=C(c3ccc(C(C)(C)C)cc3)OC2=O)cc1 3258989 PYWGEBIIPMRWPH-XMHGGMMESA-N 349.430 4.727 0 40 EJAB CCc1c(C)sc2nc(-c3cccc(C(F)(F)F)c3)[nH]c(=O)c12 3331409 XHOWYSGUSJWPGZ-UHFFFAOYSA-N 338.354 4.541 0 40 EJAB COC1(OC)CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@]2(C)CCC[C@@]32O)C1 3844004 LARNLKQGNRQTPJ-SRHAUSEGSA-N 336.516 4.523 0 40 EJAB NC(=O)/C(=C\c1ccc(Cl)cc1Cl)c1nc2ccccc2s1 3849077 WMLNQKREFJFAQC-YRNVUSSQSA-N 349.242 4.629 0 40 EJAB O=c1oc(Nc2ccc(C(F)(F)F)cc2)nc2ccc(Cl)cc12 4050033 XEHLRDSARRJQOC-UHFFFAOYSA-N 340.688 4.604 0 40 EJAB Cc1cccc(NC(=S)NC(=O)Cc2cccc3ccccc23)c1C 4621473 UGBGDBTZDFINEK-UHFFFAOYSA-N 348.471 4.512 0 40 EJAB CCCOc1cccc(C(=O)Nc2nc3c(C)cc(C)cc3s2)c1 5469455 XCUCGXHVMROJTD-UHFFFAOYSA-N 340.448 4.954 0 40 EJAB CC(=O)[C@@H](Sc1nc(C)cc(-c2ccccc2)n1)c1ccccc1 6203212 QMKFKEPRPGTJGR-LJQANCHMSA-N 334.444 4.874 0 40 EJAB COc1cc(Cl)c(C)cc1NC(=O)c1cccc(C(F)(F)F)c1 7983560 OSNNHCNJYGKTDR-UHFFFAOYSA-N 343.732 4.928 0 40 EJAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1cc2c(s1)CCC2 8279861 ILPRARPHRXIIEQ-LLVKDONJSA-N 342.489 4.680 0 40 EJAB CC1=C(C)[C@H](Nc2ccccc2)N([C@H](C)CCc2ccccc2)C1=O 8986008 JLGJJBBOKQARCR-IIBYNOLFSA-N 334.463 4.625 0 40 EJAB COc1ccc(C(=O)N(Cc2ccco2)Cc2sccc2C)cc1 9204499 ZKUIYIXBGWUIRJ-UHFFFAOYSA-N 341.432 4.501 0 40 EJAB Cc1ccc(SC[C@H]2CSc3nnc(-c4ccccc4)n32)cc1 12898253 NHFBFWKDOZFLSY-HNNXBMFYSA-N 339.489 4.693 0 40 EJAB O=C(Nc1ccc(F)cc1)N[C@H](c1ccc(F)cc1)c1cccs1 12998292 NCBRZMLHYVKUEP-QGZVFWFLSA-N 344.386 4.937 0 40 EJAB O=C(c1ccccc1CCc1ccccc1)N1CCc2ccccc2C1 13688237 MJKDPZUANDVKOB-UHFFFAOYSA-N 341.454 4.670 0 40 EJAB O=C(Nc1ccc(F)c(F)c1F)C12C[C@@H]3C[C@@H](CC(Cl)(C3)C1)C2 15003114 UGGPJAJIQQDCHJ-KBDCMEBJSA-N 343.776 4.620 0 40 EJAB O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1cc2c(F)cccc2s1 22882745 XVRQWKPENVCZLD-UWVGGRQHSA-N 345.361 4.891 0 40 EJAB COC(=O)c1nc(-c2ccccc2)oc1Sc1ccc(C)cc1 26842512 BDVLRCXJXYEAQX-UHFFFAOYSA-N 325.389 4.588 0 40 EJAB CC(C)c1noc([C@@H](C)Sc2ncc(-c3ccc(F)cc3)o2)n1 32761082 HFARWGOKQGFQAH-SNVBAGLBSA-N 333.388 4.840 0 40 EJAB COc1cccc(/C=C(/CCC(=O)O)c2nc3ccccc3s2)c1 33530782 FILMMPWPTQTCBB-KAMYIIQDSA-N 339.416 4.710 0 40 EJAB O=C1C[C@@H](c2ccsc2)c2snc(-c3ccc(Cl)cc3)c2N1 35324581 GMNXZKPKGUCKDF-LBPRGKRZSA-N 346.864 4.999 0 40 EJAB Cc1ccc(-c2nn3c(N4C[C@@H](C)C[C@@H](C)C4)cc(C)nc3c2C)cc1 40216945 CHYCQOQQUMQGAW-IYBDPMFKSA-N 348.494 4.804 0 40 EJAB O=C(NCc1ccccc1)c1cccc(Oc2nc3ccccc3o2)c1 51207638 NPZMURKDHXLGDK-UHFFFAOYSA-N 344.370 4.550 0 40 EJAB Cc1cccc2cc3c(nc12)OCCN(Cc1ccc(Cl)cc1)C3 57709651 VBKXOJAELDRJFS-UHFFFAOYSA-N 338.838 4.591 0 40 EJAB CC[C@H](NC(=O)COc1ccc2ccccc2c1)c1ccc(C)cc1 59351743 AHIVMPYMWCJTMH-NRFANRHFSA-N 333.431 4.795 0 40 EJAB CC(C)(NC(=O)c1cnc(-c2ccccc2F)s1)c1ccccc1 65447098 VDMWHDLAYYUCML-UHFFFAOYSA-N 340.423 4.614 0 40 EJAB c1csc(Cc2nnc(SCc3nc4ccccc4s3)o2)c1 66262016 WCOAHWIMPZIZGJ-UHFFFAOYSA-N 345.474 4.624 0 40 EJAB CC[C@H]1c2ccsc2CCN1C(=O)Nc1ccc2[nH]ccc2c1 69419482 WRFUYHCIUSIOCV-INIZCTEOSA-N 325.437 4.771 0 40 EJAB Cc1cccc(NC(=O)c2ccc3onc(-c4csc(C)n4)c3c2)c1 96037849 MAMZOQOTPNNPNP-UHFFFAOYSA-N 349.415 4.820 0 40 EJAB COc1ccc([C@H](C)N[C@H](C)c2cc(C)sc2C)cc1NC(C)=O 96476493 GNXZAMQTLRWCFV-QWHCGFSZSA-N 346.496 4.744 0 40 EJAB C[C@H]1Cc2ccccc2N1C(=O)C12C[C@@H]3C[C@H](CC(Cl)(C3)C1)C2 103070415 RPGLWNQAGYWZSU-XUGZQBACSA-N 329.871 4.542 0 40 EJAB C[C@@H](SCc1ccccc1)C(=O)NCc1cccc2ccccc12 222827915 BCQIOCRYGYGKKU-MRXNPFEDSA-N 335.472 4.778 0 40 EJAB CC(C)Sc1ccccc1C(=O)NCCOc1ccccc1Cl 224640381 BOEKCQYRRHDKRG-UHFFFAOYSA-N 349.883 4.649 0 40 EJAB CCc1ccc(CC)c(CNC(=O)c2ccc(Br)cc2)c1 225853999 NXTWXUFJNYTKBC-UHFFFAOYSA-N 346.268 4.504 0 40 EJAB CC[C@@H](C)Oc1ccccc1/C=C1/SC(=O)N([C@H](C)CC)C1=O 409010136 JSRSAXALTMZHFM-BPLGGGKVSA-N 333.453 4.699 0 40 EJAB FC(F)(F)c1ccc(-c2ccc(OCCN3CCCC3)cc2)cc1 1039 FOCUKKUAGZPPCU-UHFFFAOYSA-N 335.369 4.847 0 40 EJAB in-man COc1ccc(NC(=O)C[C@H](C(C)C)[C@H]2CCOC(C)(C)C2)cc1 491175 HKQAZWUSSIHYBS-MAUKXSAKSA-N 333.472 4.501 0 40 EJAB biogenic CN(Cc1ccccc1)c1ncnc2sc(-c3ccccc3)cc12 2645201 RBKUPSGXWMKDSA-UHFFFAOYSA-N 331.444 4.995 0 40 EJAB COc1ccc(O[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)cc1 4517016 YPIDMQYLIAPRSE-LLVKDONJSA-N 330.771 4.539 0 40 EJAB CCCCC(=O)N(CCCC)c1nnc(-c2ccccc2C)s1 4982392 VQYBGBGDISMMPD-UHFFFAOYSA-N 331.485 4.837 0 40 EJAB Cc1ccc(SCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 5753016 ZKNXBNHYHQSRTL-UHFFFAOYSA-N 325.355 4.745 0 40 EJAB CCCOc1ccc([C@H](C)c2cc3c(cc2OCC)OCO3)cc1 5785301 WRGIAQUHDAENLX-AWEZNQCLSA-N 328.408 4.755 0 40 EJAB Cc1cc(C)c2nc(NC(=O)Cc3ccc(Cl)cc3)sc2c1 6273305 XVIPPRDDJOGUFD-UHFFFAOYSA-N 330.840 4.748 0 40 EJAB O=C(Nc1nc2ccc(Cl)cc2s1)c1cc2c(s1)CCC2 7485928 IDANDBBLLUZHQP-UHFFFAOYSA-N 334.853 4.752 0 40 EJAB Cc1ccc(NC(=O)c2ccc(OCc3cscn3)cc2)cc1C 8007328 JYPMYOVTJMXBPQ-UHFFFAOYSA-N 338.432 4.591 0 40 EJAB COc1ccccc1[C@H](C)NC(=O)c1ccc(-c2ccccc2)nc1C 12791723 GNDIZDICYMLMMQ-HNNXBMFYSA-N 346.430 4.557 0 40 EJAB C[C@@H](CCc1ccccc1)NC(=O)[C@@H](C)Oc1ccc2ccccc2c1 13708702 XFUXOPMVKPUVEQ-ZWKOTPCHSA-N 347.458 4.745 0 40 EJAB CCCCOc1cccc(NCc2ccc(OCCOCC)cc2)c1 19738352 GPQDGHSJYRHLAU-UHFFFAOYSA-N 343.467 4.893 0 40 EJAB Cc1cccc(-n2ncc3c2C[C@H](c2ccc(Cl)cc2)CC3=O)c1 20632821 SSWNKIAKLQVZEW-HNNXBMFYSA-N 336.822 4.747 0 40 EJAB Cc1noc(NC(=O)Nc2ccc(Cl)cc2)c1-c1ccccc1 20636208 UAKJJMPMYSYGRG-UHFFFAOYSA-N 327.771 4.947 0 40 EJAB O=C(NC1CCCCC1)N(Cc1cccs1)c1ccc(F)cc1 21149611 ZNEXRBQPHPHKBD-UHFFFAOYSA-N 332.444 4.936 0 40 EJAB O=C(N[C@H](c1ccccc1)c1cc2ccccc2o1)[C@@H]1CC=CCC1 24709022 WNVKKJFOTZADNL-DYESRHJHSA-N 331.415 4.995 0 40 EJAB O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1cc(F)cc(F)c1 28210852 WLNFOJJBPNPZRB-UHFFFAOYSA-N 335.659 4.889 0 40 EJAB O=C(CSc1ccc(Cl)cc1)Nc1nc(-c2ccc[nH]2)cs1 28254436 YCUGRCLZFNKKSJ-UHFFFAOYSA-N 349.868 4.522 0 40 EJAB CN(CC(=O)Nc1cc(Cl)ccc1Cl)[C@@H]1CCc2ccccc21 29482632 ZJDXLGCYHNUWIR-QGZVFWFLSA-N 349.261 4.551 0 40 EJAB CC[C@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)c1ccc(F)cc1 30848547 WETOUCQQAVXXNA-LRDDRELGSA-N 335.806 4.514 0 40 EJAB Cc1ccc(NC(=O)Cc2cccc3ccccc23)c2cccnc12 31091670 PBPNVIBANOUWNR-UHFFFAOYSA-N 326.399 4.878 0 40 EJAB COc1ccc2cc([C@@H](C)C(=O)N(C)Cc3ccsc3)ccc2c1 32741286 MMVOIFIKEKHYMT-CQSZACIVSA-N 339.460 4.672 0 40 EJAB C[C@H](NC(=O)c1[nH]c2ccc(F)cc2c1Cl)c1cccc(F)c1 40144971 OVEJUQMGDSPWLO-VIFPVBQESA-N 334.753 4.591 0 40 EJAB Cc1ccc(C)c(NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)c1 40913171 YUYCWSVMAPYEJU-HNNXBMFYSA-N 331.843 4.980 0 40 EJAB Cc1cc(Cl)ccc1NC(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 57412133 WPCVEQQAISTHKU-UHFFFAOYSA-N 346.217 4.944 0 40 EJAB O=C(Nc1cnccc1Oc1ccccc1)c1cc2ccccc2o1 58363243 LGJAEYNLQIPHDE-UHFFFAOYSA-N 330.343 4.872 0 40 EJAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)N1CCC[C@H]1c1cccs1 58773523 ZAFJFOWSYFHMPC-YOEHRIQHSA-N 338.476 4.946 0 40 EJAB COC(=O)C1=C(Nc2ccc(OC)cc2)C=C(C)C[C@H]1c1ccccc1 66091576 IBRAMJQFBKGLGE-IBGZPJMESA-N 349.430 4.668 0 40 EJAB O=C(Nc1ccc(-c2cc[nH]n2)cc1)N1CCC[C@@H]1c1ccsc1 70037198 PIXAHGPMSYVHML-QGZVFWFLSA-N 338.436 4.507 0 40 EJAB O=c1[nH]c2c(s1)[C@H](/C=C/c1ccccc1)[C@H]1[C@H]3CC[C@@H](C3)[C@H]1S2 101262109 VGFYUYWOQJIDBW-IJGIHTAISA-N 341.501 4.754 0 40 EJAB Cc1cccc(C(=O)Nc2cc(N3CCCC[C@H]3C)c(C)cc2N)c1 216867151 SKUSFOBCLIVPFH-MRXNPFEDSA-N 337.467 4.517 0 40 EJAB Cc1ccc(COc2c(Cl)cc(C=O)cc2Br)cc1 216910437 QMCILXJMOVBXAP-UHFFFAOYSA-N 339.616 4.802 0 40 EJAB CN(Cc1ccccc1)C(=O)c1cc2cc3ccccc3nc2s1 223132046 HZNJWLSXJRIXCA-UHFFFAOYSA-N 332.428 4.722 0 40 EJAB CCOc1ccc(CNC(=O)Cc2ccc(-c3ccccc3)cc2)cc1 224978801 OLXIHHXTXVWNQM-UHFFFAOYSA-N 345.442 4.611 0 40 EJAB CC(C)(C)SCCNC(=O)CCc1ccc(Cl)c(Cl)c1 225325852 QWLXYEWWHVTEFH-UHFFFAOYSA-N 334.312 4.574 0 40 EJAB CCCOc1c(C)cc(NC(=O)[C@@](C)(OCCC)C2CC2)cc1C 225674040 DGDUDTUUPKDTDQ-FQEVSTJZSA-N 333.472 4.626 0 40 EJAB CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC(C)C)cc1 225733603 DBFIWNVIUSRJHC-FQEVSTJZSA-N 335.488 4.891 0 40 EJAB COc1ccc(NC(=S)NC2(c3cccc(C)c3)CCCC2)cc1 225847138 RQWYGOQDMJMIJY-UHFFFAOYSA-N 340.492 4.760 0 40 EJAB CCN(C(=O)C(F)(F)F)c1ccc(N2CCCC[C@@H]2C)c(Cl)c1 226284878 KDPBSTRAYFABIK-NSHDSACASA-N 348.796 4.634 0 40 EJAB O=C(c1cnc2c(F)cccc2c1)N1CCC[C@H](c2ccccc2)CC1 584853642 ZJGAHXWTTXPWGF-KRWDZBQOSA-N 348.421 4.784 0 40 EJAB Cc1ccc(C(=O)N2CCC[C@H]2COc2ccc(Cl)cc2)c(C)c1 1540513751 TUJFJUGSDSUOSU-KRWDZBQOSA-N 343.854 4.640 0 40 EJAB CCc1sc(-n2cccc2)nc1C(=O)Nc1cc(Cl)ccc1C 1565524193 FNXVYJFSXOXCAW-UHFFFAOYSA-N 345.855 4.710 0 40 EJAB Cc1cccc(Oc2ccc(N3C(=O)c4ccccc4C3=O)cc2)c1C 241258 RCZBOBBLHZCFMW-UHFFFAOYSA-N 343.382 4.896 0 40 EJAB Oc1ccc(-c2nnc(SCc3c(F)cccc3Cl)o2)cc1 410800 UURBLVPMIPWZBJ-UHFFFAOYSA-N 336.775 4.527 0 40 EJAB O=C(CNC1CCCCC1)N1c2ccccc2Sc2ccccc21 411893 WYFLXQSLHNEEOA-UHFFFAOYSA-N 338.476 4.738 0 40 EJAB Cc1ccc(C(=O)NC(=S)Nc2cccc3ccccc23)c(C)c1 570452 XSEHZKPAEJJAQQ-UHFFFAOYSA-N 334.444 4.583 0 40 EJAB CCN(CC)C(=S)S[C@H](C(=O)c1ccccc1)c1ccccc1 1846585 NGQKUDOEPPQSBC-SFHVURJKSA-N 343.517 4.971 0 40 EJAB Cc1cc(C(F)(F)C(F)(F)F)c2c(C)nn(-c3ccccc3)c2n1 2733765 GXKTZWVCMBYHLQ-UHFFFAOYSA-N 341.283 4.691 0 40 EJAB CCN(C(=O)c1ccccc1F)c1nc2cc(Cl)ccc2s1 3422651 ZPPCNRBKEUKTRG-UHFFFAOYSA-N 334.803 4.756 0 40 EJAB CCCn1c([C@@H]2CC(=O)N(c3cc(C)ccc3C)C2)nc2ccccc21 4033352 XOIMWOMTJDQCOV-QGZVFWFLSA-N 347.462 4.584 0 40 EJAB O=C(CSc1ncnc2ccccc12)Nc1ccc2ccccc2c1 5505348 KRDGZIVBTZCELT-UHFFFAOYSA-N 345.427 4.514 0 40 EJAB CCc1ccc2c(c1)C(c1cccs1)=NNC(c1ccc(F)cc1)=N2 6844190 ORERDWINJFMMQB-UHFFFAOYSA-N 349.434 4.884 0 40 EJAB Cc1oc2c(F)c(F)c(F)c(F)c2c1C(=O)NC1CCCCCC1 6937954 YKFYBDFYBHOQIP-UHFFFAOYSA-N 343.320 4.750 0 40 EJAB Cc1ccc2nc(-c3ccccc3)c(NC(=O)c3cc(C)oc3C)n2c1 7988357 CJSATKNECYJLHR-UHFFFAOYSA-N 345.402 4.772 0 40 EJAB CC(C)(C)C(=O)Nc1ccc2c(c1)C(=O)Nc1cc(Cl)ccc1O2 9135194 KJADAQVNOLLZRZ-UHFFFAOYSA-N 344.798 4.683 0 40 EJAB O=C(NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)[C@H]1CC=CCC1 10691237 IGYIAWKLXSLBBW-ICSRJNTNSA-N 344.458 4.772 0 40 EJAB O=C(Nc1ccc(F)cc1)N[C@@H](c1ccccc1)c1cccs1 12806566 YEIFQJDIFPQYOA-KRWDZBQOSA-N 326.396 4.798 0 40 EJAB Cc1cc2cc3c(nc2cc1Cl)OCCN(Cc1ccccc1)C3 13563713 VWXBHTROKFCCMF-UHFFFAOYSA-N 338.838 4.591 0 40 EJAB CCOc1ccccc1NC(=O)c1cc(Cl)cc(Cl)c1OC 14258169 ZGWOROWTLWZUMX-UHFFFAOYSA-N 340.206 4.653 0 40 EJAB O=C(COc1ccc(F)cc1)Nc1cc(C(F)(F)F)ccc1Cl 14738007 JUJZIEKZLWFGEC-UHFFFAOYSA-N 347.695 4.515 0 40 EJAB Cc1cccc(OCCS[C@@H](C)C(=O)Nc2ccccc2Cl)c1 15492272 IGZMAJADLSWDBG-AWEZNQCLSA-N 349.883 4.788 0 40 EJAB Cc1cc(C)c2sc(NC(=O)c3ccc4ccccc4c3)nc2n1 17014100 SMEUOSATSZKDGZ-UHFFFAOYSA-N 333.416 4.714 0 40 EJAB FC(F)Sc1ccc(-[n+]2c(-c3ccccc3)cn3c2CCC3)cc1 19799286 ZARMCKZIPCTRAS-UHFFFAOYSA-N 343.422 4.693 0 40 EJAB CCSc1ccccc1NC(=O)[C@@H](CC)Oc1cccc(OC)c1 20484648 ZPWPVWGADUZPKM-QGZVFWFLSA-N 345.464 4.603 0 40 EJAB Cc1cc(C(=O)N2CCC[C@@H]2c2ccccc2)c(C)n1Cc1ccco1 22766291 OKAIASBCDISWCZ-OAQYLSRUSA-N 348.446 4.724 0 40 EJAB Cc1cc(NC(=O)CCC2CCCCC2)n(Cc2ccccc2)n1 28220113 KCISTHVFDIOSLL-UHFFFAOYSA-N 325.456 4.539 0 40 EJAB Cc1ccc(CN(Cc2ccccc2)C[C@@H](O)c2ccccc2)cc1 36031637 HAIRCBXPJLYHGO-HSZRJFAPSA-N 331.459 4.731 0 40 EJAB Clc1ccc(-c2nc(CN(Cc3ccccc3)C3CC3)no2)cc1 36396174 GTGNWUKJAAOPKO-UHFFFAOYSA-N 339.826 4.555 0 40 EJAB Cc1cc(C)cc(NC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)c1 38833563 OALNMMPQVXIGTI-MRXNPFEDSA-N 336.479 4.788 0 40 EJAB Cc1ccc(Nc2nc(C)nc(Nc3ccc(Cl)cc3)n2)cc1 40385352 JGRAIHIOJNRRTK-UHFFFAOYSA-N 325.803 4.629 0 40 EJAB O=C(Nc1ccccc1F)c1cc(-c2cccc3ccccc23)[nH]n1 44838107 JHTCRVLFJLTQHD-UHFFFAOYSA-N 331.350 4.621 0 40 EJAB Cc1cccc(-c2nc(CN(C)Cc3ccc4ccccc4c3)no2)c1 58357122 NOLMESRZPZOJFJ-UHFFFAOYSA-N 343.430 4.830 0 40 EJAB Cc1ccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(C)c(C)c2)cc1C 59351221 ABXSXFGGMCGFNZ-ZWKOTPCHSA-N 325.452 4.565 0 40 EJAB O=S(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1 59688038 CNVAMALKSHUQPU-UHFFFAOYSA-N 338.272 4.891 0 40 EJAB Cc1ccccc1C1(CNCc2ccc3ccccc3c2)CCOCC1 71825385 SCYJUNJJAKDKMP-UHFFFAOYSA-N 345.486 4.986 0 40 EJAB C[C@H](OC(=O)c1nc(-c2ccccc2)oc1C1CC1)c1ccccn1 73529070 APIMLHXXLJJFOO-ZDUSSCGKSA-N 334.375 4.532 0 40 EJAB O=C(NC12CC3CC(CC(C3)C1)C2)c1[nH]c2ccc(F)cc2c1Cl 89807233 BKKKLDLHTJQCHG-UHFFFAOYSA-N 346.833 4.659 0 40 EJAB CC[C@@H](C)[C@H](CSC(F)(F)F)NC(=O)OCc1ccccc1 95918487 IAHBOUIYIJQXRM-YPMHNXCESA-N 335.391 4.581 0 40 EJAB CCN(C(=O)/C=C(\C)C1CC1)[C@@H](c1ccc(F)cc1)c1cccnc1 96190154 RMWAVGQKBKQYRK-AXDNMFEOSA-N 338.426 4.515 0 40 EJAB Cc1noc2c1[C@@H](c1cccc(F)c1)C1=C(O)CC(C)(C)CC1=N2 102736674 AMJSWTWOXLZYPP-MRXNPFEDSA-N 326.371 4.972 0 40 EJAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@H](C)C(=O)[C@@]4(C)CC[C@@H]32)C1 118915059 CEDMTUMXNJENDO-LKWIHXOASA-N 344.495 4.696 0 40 EJAB O=C(/C=C/c1ccco1)N1CCCC[C@H](c2ccc(Cl)cc2)C1 206876112 TVXJKRASIONUOI-OFAQMXQXSA-N 329.827 4.743 0 40 EJAB O=C(O)c1cc(Cl)c2[nH]c(-c3ccc(Cl)cc3Cl)nc2c1 216922827 CSRVLBGQYFHMSR-UHFFFAOYSA-N 341.581 4.888 0 40 EJAB CC[C@@H](NC(=O)/C=C/c1ccccc1OC)c1ccc2c(c1)CCCC2 223016399 LNFPGWHUEJIYAM-IBUXMESJSA-N 349.474 4.855 0 40 EJAB O=C(COc1cccc2c1CCCC2)Nc1cccc(C(F)(F)F)c1 223784227 FLMSBQPPUCTIEF-UHFFFAOYSA-N 349.352 4.602 0 40 EJAB O=C(CCc1cccc2ccccc12)NCCSC1CCCC1 224721538 AZMYUERONQRREN-UHFFFAOYSA-N 327.493 4.564 0 40 EJAB CC(C)Oc1ccc(NC(=S)N[C@H]2CCCc3ccccc32)cc1 225461772 HKBRETMTXQMALS-IBGZPJMESA-N 340.492 4.838 0 40 EJAB CC[C@H](CNC(=S)Nc1ccc(C)cc1C)Cc1ccccc1 225629328 WGOBOPXEUHVTTR-KRWDZBQOSA-N 326.509 4.859 0 40 EJAB O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1cncs1 513163692 BKFAMVGSYVLCED-UHFFFAOYSA-N 347.399 4.717 0 40 EJAB Cc1ccc2c(c1)C(C)(C)[C@@]1(/C=C/c3ccccc3)N=C(O)CCN21 519108 MHKNHLTWQVRVIA-SDNYCIMKSA-N 332.447 4.863 0 40 EJAB biogenic O=C1CC2(CCCC2)CC(=O)N1c1ccc(Oc2ccccc2)cc1 1739775 UVMFGNVCACQRGA-UHFFFAOYSA-N 335.403 4.693 0 40 EJAB CCOC(=O)c1c(CSc2ccccc2)oc2ccc(O)cc12 2206727 QOMJXOZGZZSHKH-UHFFFAOYSA-N 328.389 4.607 0 40 EJAB COc1cc2ccccc2cc1C(=O)OCc1c(F)cccc1Cl 3344684 MICRSWUTZCCYPE-UHFFFAOYSA-N 344.769 4.998 0 40 EJAB Cc1cccc(NC(=O)C2[C@H]3CC[C@H]4[C@@H](CC[C@@H]23)C4(Cl)Cl)c1 4380146 ILZRVBWTTJKFOR-GJZITSJHSA-N 338.278 4.790 0 40 EJAB CCCCC(=O)Nc1ccc(C(=O)Nc2c(C)cccc2CC)cc1 4696325 PRJAOJXLERRYQR-UHFFFAOYSA-N 338.451 4.938 0 40 EJAB O=C1CS[C@H](c2ccc(Cl)cc2)N1c1nc2ccccc2s1 5002208 SJUBORWFZVAIIV-OAHLLOKOSA-N 346.864 4.728 0 40 EJAB C[C@@H](Sc1ncnc2sccc12)C(=O)c1c[nH]c2ccccc12 6115365 NAZUGVWJFYIQRY-SNVBAGLBSA-N 339.445 4.536 0 40 EJAB O=C(Nc1ccc(F)cc1)Nc1ncc(C(F)(F)F)cc1Cl 6527971 DTJAQOKZZRBQQQ-UHFFFAOYSA-N 333.672 4.537 0 40 EJAB Cc1nn(-c2ccc(Cl)cc2)c2oc(=O)cc(-c3ccccc3)c12 6796400 VLARWKZIQZJNHE-UHFFFAOYSA-N 336.778 4.608 0 40 EJAB Cc1nnc(SCc2csc(-c3ccc(Cl)cc3)n2)s1 7193013 JMHDUKUUFVLCJY-UHFFFAOYSA-N 339.898 4.916 0 40 EJAB Cc1cccc(NC(=S)NCCSCc2ccccc2)c1C 7369738 RMEQGQQGTOKXLS-UHFFFAOYSA-N 330.522 4.523 0 40 EJAB Cc1nc(-c2ccc(CNC(=O)c3ccc(C)c(C)c3)s2)cs1 7820680 DQSPWHNWYKCTPY-UHFFFAOYSA-N 342.489 4.727 0 40 EJAB Cc1ccc(NC2=NN=C(c3cc(F)ccc3F)CS2)c(C)c1 7849241 VULNQESQMHTQHW-UHFFFAOYSA-N 331.391 4.501 0 40 EJAB CC(=O)NCc1ccc(-c2csc(-c3ccc(C)cc3C)n2)cc1 8209869 OHQDWJQFTPEMNG-UHFFFAOYSA-N 336.460 4.730 0 40 EJAB O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)c1ccno1 10253831 HCCXUAUBMWSCOT-UHFFFAOYSA-N 347.399 4.717 0 40 EJAB Cc1cc(C)n(-c2ccc(S[C@@H](C)c3ccccc3Cl)nn2)n1 11140478 KYQCBKAACJFIFO-ZDUSSCGKSA-N 344.871 4.786 0 40 EJAB C[C@H](c1ccco1)N(C(=O)/C=C/c1cccc(F)c1)c1ccccn1 12526727 JICPCPSIZNONQN-AUECHBEKSA-N 336.366 4.621 0 40 EJAB CSc1ccccc1C(=O)Nc1ccc(N2CCCCC2)cc1 14907976 RIGQOFMLFZWRLQ-UHFFFAOYSA-N 326.465 4.651 0 40 EJAB C[C@H](SC/C=C/c1ccccc1)C(=O)Nc1ccc(F)c(F)c1 15493873 IGHWYDBSUYRWIL-LJLILKBBSA-N 333.403 4.738 0 40 EJAB Cc1ccc(C)c([C@H](C)NC(=O)CSCc2ccc(F)cc2)c1 20492499 VSDXVHTZOCPNBP-HNNXBMFYSA-N 331.456 4.553 0 40 EJAB COCc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)cc1 23121167 UGQNALLLSMTTLG-QFIPXVFZSA-N 345.442 4.661 0 40 EJAB Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1ccc(Cl)cc1F 27976911 QAHSJEQLUFEADO-UHFFFAOYSA-N 343.789 4.534 0 40 EJAB FC(F)(F)c1nc2ccccc2n1Cc1nc2ccccc2s1 29299678 MTZLOJVDXBJJMM-UHFFFAOYSA-N 333.338 4.713 0 40 EJAB O=C(c1ccc(Br)cc1)c1c[nH]c2cc(Cl)ccc12 37367983 PCJJGPDGHAQKIK-UHFFFAOYSA-N 334.600 4.815 0 40 EJAB COc1ccc2oc(/C=C/N(C)C)c(C(=O)c3ccc(C)cc3)c2c1 49581093 CRDBPMQHWGVLIV-VAWYXSNFSA-N 335.403 4.513 0 40 EJAB CCOc1ccc2nc(Cl)c(CNCc3ccccc3)cc2c1 57577641 CPUVBVXAGSOOOK-UHFFFAOYSA-N 326.827 4.577 0 40 EJAB O=C(O)c1c(Cl)nc(-c2ccccc2Cl)n1-c1ccccc1 69949534 CHPJNGYQTSYXOS-UHFFFAOYSA-N 333.174 4.544 0 40 EJAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1)c1ccc(C)cc1 113943586 XTDCNRBECPGJOS-RDTXWAMCSA-N 331.843 4.683 0 40 EJAB COc1ccc2c(c1)CCC[C@H]2NC(=S)Nc1cccc(Cl)c1 225702338 KFTBBBHEVDJTIH-QGZVFWFLSA-N 346.883 4.713 0 40 EJAB CCCCOc1ccc(NC(=O)C2(OCC)CCC(C)CC2)cc1 225719578 JGGSUBYTZXZAMV-UHFFFAOYSA-N 333.472 4.789 0 40 EJAB COc1ccc(NC(=S)N[C@@H](C)c2ccccc2C)cc1Cl 225753071 DRXKTQALRSLAKT-LBPRGKRZSA-N 334.872 4.705 0 40 EJAB O=C(Nc1cc(-c2ccco2)nn1-c1ccc(Cl)cc1)C1CCC1 605634898 KRYXGKKRYCLRIX-UHFFFAOYSA-N 341.798 4.524 0 40 EJAB Cc1cc(C)c(NC(=O)CSc2nc3ccccc3s2)c(C)c1 408170 BYLMRGRMPIRZNF-UHFFFAOYSA-N 342.489 4.952 0 40 EJAB Cc1cc(C)cc(OCc2nnc(SCc3ccc(F)cc3)o2)c1 418627 NUWKUDFJLCRGPA-UHFFFAOYSA-N 344.411 4.697 0 40 EJAB CCC(CC)c1nnc(NC(=O)c2cc(C)nc3ccccc23)s1 2651532 PPWZZRHCHLPICP-UHFFFAOYSA-N 340.452 4.551 0 40 EJAB Cc1ccc(C)c(-c2nn(-c3ccccc3)c(=O)c3ccccc23)c1 3115096 HDPYJKCUAJBHIQ-UHFFFAOYSA-N 326.399 4.670 0 40 EJAB Cc1ccc(Nc2nnc(S[C@@H]3CCCCC3=O)s2)c(C)c1 3338739 FPUYSDXPWZGLGG-CQSZACIVSA-N 333.482 4.502 0 40 EJAB CCCSc1nc(-c2cccc(C)c2)nc2c1COC(C)(C)C2 5206017 WLQOSGCHNNAPPN-UHFFFAOYSA-N 328.481 4.805 0 40 EJAB CC1(C)Cc2cccc(OCC(=O)C34CC5CC(CC(C5)C3)C4)c2O1 6110594 BCKWRNJTRIGOPP-UHFFFAOYSA-N 340.463 4.564 0 40 EJAB Cc1ccc(CSc2nc3nc(C)c(Br)cc3[nH]2)cc1 6204557 GGLSWNQKLAUEAQ-UHFFFAOYSA-N 348.269 4.630 0 40 EJAB CCCOc1ccc2ccccc2c1/C=C1\SC(=O)N(CC)C1=O 6324663 WCFTUMSAQRZTDV-ATVHPVEESA-N 341.432 4.685 0 40 EJAB O=C(/C=C/c1ccc(Cl)cc1Cl)NCCCc1ccccc1 6338973 CALGHLVHMKOXLF-PKNBQFBNSA-N 334.246 4.756 0 40 EJAB Cc1ccc(NC(=O)C2(Cc3nc4ccccc4[nH]3)CCCC2)cc1 6648272 WMTPBZMHGWNDAD-UHFFFAOYSA-N 333.435 4.613 0 40 EJAB O=C(Nc1ccccc1C(F)(F)F)c1ccc(N2CCCCC2)cc1 7504889 JZGUQQPURZIDDL-UHFFFAOYSA-N 348.368 4.948 0 40 EJAB O=C(CCc1ccc(-c2ccc(Cl)cc2)o1)Nc1nccs1 8843825 QJBHXNCWLRPYBP-UHFFFAOYSA-N 332.812 4.628 0 40 EJAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1cccc(OC(C)C)c1 10715471 XVJUEVGUMYUKIL-GOSISDBHSA-N 327.424 4.578 0 40 EJAB C[C@H](NC(=O)c1cc2ccccc2o1)c1ccc(OC(F)F)cc1 12998936 KRTCBKVIFCEMSH-NSHDSACASA-N 331.318 4.525 0 40 EJAB Cc1nc(C(=O)OCc2ccccc2)cc(OCc2ccccc2)c1C 13207379 LHZQVAJJDVISKK-UHFFFAOYSA-N 347.414 4.634 0 40 EJAB Cc1cc(C(=O)O)ccc1NC(=O)c1ccc(-c2ccccc2)cc1 13391157 UCJFVMZYFSPFHI-UHFFFAOYSA-N 331.371 4.613 0 40 EJAB COc1ccc(C)cc1[C@H](C)NC(=O)N(C)[C@@H](C)c1ccc(F)cc1 22396297 MJQNYRDLTXLKLQ-GJZGRUSLSA-N 344.430 4.606 0 40 EJAB O=C(Nc1ccc2oc(-c3ccccc3)cc(=O)c2c1)c1cccs1 22714020 IYZLHTMQXQHASB-UHFFFAOYSA-N 347.395 4.774 0 40 EJAB biogenic Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccccc3)N2Cc2ccccc2)cc1 36020490 RLTHUIVLGQTWJM-BVQDOMOSSA-N 327.427 4.803 0 40 EJAB Cc1ccc([C@@H](NC(=O)CSc2ccc(F)c(F)c2)C2CC2)cc1 40024477 LTCCVQXPXOQPID-LJQANCHMSA-N 347.430 4.633 0 40 EJAB CC[C@@H](NC(=O)CSCc1ccc(C)cc1)c1ccc(C)cc1 44886350 YQYRSPPBRRUKAK-LJQANCHMSA-N 327.493 4.804 0 40 EJAB CCOc1ccccc1CNC(=O)c1ccccc1SC(C)C 56137797 NGFMYBDWWOTCRP-UHFFFAOYSA-N 329.465 4.516 0 40 EJAB Cc1cc(Oc2ncccn2)ccc1NC(=O)CCC1CCCCC1 60106253 KHFQASUZWZWPBX-UHFFFAOYSA-N 339.439 4.876 0 40 EJAB O=C(CCc1ccncc1)N1CCC[C@@H]1c1cccc2ccccc12 69491141 PJSIFHNPKROOQN-OAQYLSRUSA-N 330.431 4.531 0 40 EJAB Cn1c(C(=O)N(Cc2ccco2)c2ccccc2F)cc2ccccc21 89749583 JWSPFWHXVYPMSC-UHFFFAOYSA-N 348.377 4.757 0 40 EJAB O[C@@]1(Cc2ccccc2)CCCC[C@@](O)(Cc2ccccc2)CCC1 96509987 UZMMNQWJBZIJIW-GOTSBHOMSA-N 338.491 4.678 0 40 EJAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1Cl 96586405 XEZFHRKOLYESJR-ZDUSSCGKSA-N 329.827 4.625 0 40 EJAB Cc1ccc(C)c(O[C@@H](C)C(=O)N[C@H](C)c2cc(C)ccc2C)c1 113945960 UDQOPOUTJFJBCC-MSOLQXFVSA-N 325.452 4.565 0 40 EJAB COc1ccc([C@@H](CC(C)C)NC(=O)CCc2ccc(F)cc2)cc1 224570374 YNBBNMZRZCQKHC-HXUWFJFHSA-N 343.442 4.671 0 40 EJAB Cc1cc(O[C@H](Cc2ccc(Cl)cc2C)C(=O)O)ccc1Cl 225074502 DUVXVVHFPSNIIW-MRXNPFEDSA-N 339.218 4.685 0 40 EJAB CCCOc1c(C)cc(NC(=O)C2(OC)CCC(C)CC2)cc1C 225641643 QLJXWASWARAGAU-UHFFFAOYSA-N 333.472 4.626 0 40 EJAB COC(=O)/C=C/c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 226258163 UTAPPMQLZSLMMM-QPJJXVBHSA-N 330.689 4.805 0 40 EJAB Cc1cc([N+](=O)Nc2ccccc2)ccc1[N+](=O)Nc1ccccc1 367936964 ANPIJYIAYVOPNO-UHFFFAOYSA-N 334.379 4.870 0 40 EJAB Cc1nc(-c2ccc(C(=O)N(C)c3ccc(Cl)nc3)s2)cs1 1524976027 YGRIENLIEARMHS-UHFFFAOYSA-N 349.868 4.505 0 40 EJAB CCOC(=O)c1c(NC(=O)C2CCCCC2)sc2c1CC[C@@H](C)C2 37378 YMBNOESXWZMFOL-GFCCVEGCSA-N 349.496 4.568 0 40 EJAB COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(F)cc2)cc1 70030 TVQXICRPBYQONC-FQEVSTJZSA-N 348.377 4.605 0 40 EJAB COc1ccc(C(=O)[C@H](C)c2ccc(CC(C)C)cc2)c(OC)c1 165847 UVHJXEPTGFQBHN-OAHLLOKOSA-N 326.436 4.889 0 40 EJAB Nc1nnc(-c2ccccc2SCc2ccc(Cl)cc2)s1 184295 LWSVSIPOZRMJCL-UHFFFAOYSA-N 333.869 4.733 0 40 EJAB C[C@H](NC(=O)c1cc(-c2ccco2)nc2ccccc12)c1ccccc1 483603 MHVRQPGAUSOMIA-HNNXBMFYSA-N 342.398 4.986 0 40 EJAB O=c1oc(Cc2cccc3ccccc23)nc2sc3c(c12)CCCC3 1465825 SFVPWWZVORSTFA-UHFFFAOYSA-N 347.439 4.872 0 40 EJAB C[C@@H](CN1CCCC1)[C@](O)(c1ccc(Cl)cc1)C1CCCCC1 1698651 SYKZFXRPVKSEHD-OXJNMPFZSA-N 335.919 4.840 0 40 EJAB CC(C)[C@H](C(=O)Nc1nc2ccccc2[nH]1)c1ccc(Cl)cc1 2644589 YGXFVCBCJIVVGV-INIZCTEOSA-N 327.815 4.595 0 40 EJAB CCSc1ncnc2c1sc1nc(C)c3c(c12)CC(C)(C)OC3 4707942 WWBKQCVTPWPPSQ-UHFFFAOYSA-N 345.493 4.511 0 40 EJAB C[C@@H](NC(=O)COc1ccccc1-c1ccccc1)c1ccc(F)cc1 5458267 GZLFQQMMBADTAC-MRXNPFEDSA-N 349.405 4.749 0 40 EJAB CC(C)Oc1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc1 5644325 OZKJFYHOOCBGTD-UHFFFAOYSA-N 341.451 4.789 0 40 EJAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1Cl 5866530 HOBJBJACWDLDOS-VIFPVBQESA-N 328.170 4.539 0 40 EJAB CC[C@H](Oc1ccccc1F)C(=O)Nc1c(Cl)cccc1Cl 8477537 JWLNXYKGQHDLFO-ZDUSSCGKSA-N 342.197 4.929 0 40 EJAB Cc1[nH]c2ccc(C(=O)OCc3ncc(-c4ccccc4)o3)cc2c1C 9552068 KUIKWBOSJDFJEP-UHFFFAOYSA-N 346.386 4.797 0 40 EJAB CN(Cc1ccccc1C(F)(F)F)C(=O)Nc1ccccc1F 12735773 LILJHPOOQHBEIQ-UHFFFAOYSA-N 326.293 4.508 0 40 EJAB O=C(Cc1c(Cl)cccc1Cl)N[C@H](c1cccs1)C1CC1 12912292 QVOKBQOMJDSFCW-INIZCTEOSA-N 340.275 4.865 0 40 EJAB C[C@@H](c1cccs1)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 12926412 XQWMRZXHZKJLNX-NSHDSACASA-N 333.844 4.645 0 40 EJAB COc1ccc(NC(=O)c2ccc(Oc3ccc(F)cc3)cc2)cc1 12974283 RMTHGMIGRZBONY-UHFFFAOYSA-N 337.350 4.879 0 40 EJAB C[C@H](O)[C@]1(C)CCC2=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)C[C@H](O)CC[C@@]12C 13400133 GKVQKZCWVOOFCZ-GUFKTVLLSA-N 332.528 4.841 0 40 EJAB CC[C@H](Oc1ccccc1C)C(=O)Nc1ccccc1Br 13994842 VUBYDBKTAQKJAG-HNNXBMFYSA-N 348.240 4.554 0 40 EJAB CC(C)CCNC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 15511914 KFUWEHVWLNGGRE-UHFFFAOYSA-N 334.419 4.785 0 40 EJAB O=C(NC1CCCC1)c1ccccc1-c1ncc(-c2ccccc2)o1 21706889 ODKMTECORNETAD-UHFFFAOYSA-N 332.403 4.681 0 40 EJAB O=C(O)c1ccc(CSc2nc(-c3ccc(F)cc3)cs2)o1 26421262 ZTFAHJCTEYBGRG-UHFFFAOYSA-N 335.381 4.533 0 40 EJAB CC[C@H](NC(=O)CCc1ccc(Cl)cc1)c1ccc(OC)cc1 36625236 BZSXDXANWZSWKB-SFHVURJKSA-N 331.843 4.549 0 40 EJAB COC(=O)c1cc(Nc2ccc(F)c(Cl)c2)c2ccccc2n1 38486741 GIBOMSWQWVBXRQ-UHFFFAOYSA-N 330.746 4.558 0 40 EJAB Cc1nc2c3ccccc3nc(S[C@@H](C)CCc3ccccc3)n2n1 58358121 OWZMYQKWUSVXQB-AWEZNQCLSA-N 348.475 4.699 0 40 EJAB CC[C@H](NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1)c1ccc(C)cc1 59351758 RGUFYOJJJDOGQT-XLIONFOSSA-N 325.452 4.647 0 40 EJAB Cc1c(F)cccc1NC(=S)Nc1ccc(OC(F)(F)F)cc1 71326028 AMQYAKHUQMCVGL-UHFFFAOYSA-N 344.333 4.842 0 40 EJAB Cc1ncsc1CCOC(=O)C1(c2cccc(Cl)c2)CCCC1 71847873 SSUHMPAVBKXRPB-UHFFFAOYSA-N 349.883 4.703 0 40 EJAB CC(C)CN1CCCC[C@@H]1c1ccc(N(C)C(=O)OC(C)(C)C)nc1 72214460 UYEGIPATYIFYGT-QGZVFWFLSA-N 347.503 4.636 0 40 EJAB Cc1ccc(C)c(-n2ccnc2SCc2ccn(C(C)C)n2)c1 95397967 JCMPNSFPNBHDFU-UHFFFAOYSA-N 326.469 4.559 0 40 EJAB c1ccc(-c2cs/c(=N\Cc3ccco3)n2-c2ccccc2)cc1 100052982 AWOSEVVAGGVRBE-MRCUWXFGSA-N 332.428 4.900 0 40 EJAB CCc1c(C)nc2c(-c3ccccc3)c(Cc3ccccc3)nn2c1O 102598502 MBRQXLIYFALIRM-UHFFFAOYSA-N 343.430 4.564 0 40 EJAB CCCC[C@@H](CC)CNC(=O)CCCc1nc2cc(C)ccc2o1 224949450 TWVIAIJUOATLOX-MRXNPFEDSA-N 330.472 4.792 0 40 EJAB CC(C)c1ccc(N(C)S(=O)(=O)c2ccc3ccccc3c2)cc1 225044764 JILDRAOITUEUMZ-UHFFFAOYSA-N 339.460 4.788 0 40 EJAB CC[C@H](C)Oc1ccc(NC(=O)[C@@](C)(OC)C2CC2)c2ccccc12 225813445 YCWYPVJDDPAVJW-QKKBWIMNSA-N 341.451 4.771 0 40 EJAB COc1cccc([C@@H]2Nc3c(C(=O)O)cccc3[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)c1 250441492 KIVRFPDDAWMQAB-NFKIQKPMSA-N 349.430 4.690 0 40 EJAB CCc1sc(C)nc1-c1ccc(C(=O)Nc2cccc(O)c2)cc1 408579627 IUSWMTLQCHZRPO-UHFFFAOYSA-N 338.432 4.639 0 40 EJAB O=C(Nc1ccccc1)[C@@H](NC1CCCCC1)c1ccc(Cl)cc1 408734322 MZOHFSACIVVPHT-IBGZPJMESA-N 342.870 4.942 0 40 EJAB Cc1cccc(NC(=O)COc2ccc(CNc3ccccc3)cc2)c1 409268995 COCIXVUSMOWKFX-UHFFFAOYSA-N 346.430 4.625 0 40 EJAB C[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccccc2Cl)N3)C1 2492885 PUGTXTOXWGPIBZ-RFAUZJTJSA-N 332.856 4.955 0 40 EJAB Cc1cs/c(=N/c2ccc(Cl)c(Cl)c2)n1C[C@@H]1CCCO1 3277259 SMJWQSAEWBKNKT-ZSPVLXODSA-N 343.279 4.576 0 40 EJAB O=C(NC(=S)Nc1cccc2ccccc12)c1cccc(Cl)c1 4089268 DGAARZZSPKHWTI-UHFFFAOYSA-N 340.835 4.620 0 40 EJAB COc1ccc(C)c2sc(NC(=O)c3ccccc3SC)nc12 4517470 BVTLDLFVPUDILL-UHFFFAOYSA-N 344.461 4.588 0 40 EJAB CCc1ccc(-c2csc(NC(=O)Cc3ccccc3F)n2)cc1 6220770 YEUNPILBEXRYSP-UHFFFAOYSA-N 340.423 4.693 0 40 EJAB Cc1ccc(C)c(NC(=S)Nc2cccc(Br)c2)c1 8104046 CBBIUCZIESDQFF-UHFFFAOYSA-N 335.270 4.875 0 40 EJAB Cc1ccc([C@@H]2Nc3ccccc3C(=O)N2[C@@H](C)c2ccccc2)o1 8160161 NPBZZUSYPKCCOE-MGPUTAFESA-N 332.403 4.916 0 40 EJAB CCCCCCOc1c(Br)cc(C=O)cc1OCC 11832242 FCXIGDUMSJLRRT-UHFFFAOYSA-N 329.234 4.619 0 40 EJAB CC(C)(C)CC(=O)Nc1ccc(OCCOc2ccccc2)cc1 12137889 IYXKXUKLNUGVKZ-UHFFFAOYSA-N 327.424 4.519 0 40 EJAB C[C@@H](NC(=O)c1csc(-c2ccc(F)cc2)n1)c1ccc(F)cc1 12771192 CMEXYJODFYMACR-LLVKDONJSA-N 344.386 4.579 0 40 EJAB Clc1ccc2[nH]cc(-c3nnnn3-c3ccc4ccccc4c3)c2c1 13126781 CREGBRLXPSFGQK-UHFFFAOYSA-N 345.793 4.617 0 40 EJAB aggregator O=C(Cc1c(F)cccc1Cl)Nc1cccc(Cl)c1Cl 13326505 FUAIKPULBFFXMA-UHFFFAOYSA-N 332.589 4.967 0 40 EJAB Cn1cccc1CN1CCCCC[C@H]1c1cc(-c2cccs2)on1 19291137 CPSYBAJXZOCCGH-KRWDZBQOSA-N 341.480 4.859 0 40 EJAB Cc1nc2cc(Cl)ccc2cc1C(=O)N1c2ccccc2C[C@H]1C 24860612 OHYLBHMGEIDACF-GFCCVEGCSA-N 336.822 4.788 0 40 EJAB C[C@@H](c1nc2ccccc2n1C(F)F)N1CCc2ccccc2C1 24976566 DZOPFFXKTSJNPC-ZDUSSCGKSA-N 327.378 4.551 0 40 EJAB Cc1nc2sc3c(c2c(-c2ccc(Cl)cc2)c1C(N)=O)CCC3 25008245 VLFHFZSYNUGCBZ-UHFFFAOYSA-N 342.851 4.513 0 40 EJAB Cc1cccc(-n2nnnc2C2(Nc3ccccc3C)CCCCC2)c1 35622755 DTIRVJDIANFKMG-UHFFFAOYSA-N 347.466 4.551 0 40 EJAB COc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1ccccc1C(C)C 38755814 BTKHFSKLKJAATK-ZDUSSCGKSA-N 347.842 4.878 0 40 EJAB COc1ccccc1C[C@@H]1CCCN1Cc1ncc(-c2ccccc2)o1 58434118 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4.811 0 40 EJAB CC(C)C[C@@H](NC(=O)c1ccccc1Br)c1ccccc1 7036988 PRICOIBCMUABGP-QGZVFWFLSA-N 346.268 4.966 0 40 EJAB CC[C@H](O)c1nc2ccccc2n1CCCOc1ccc(C)cc1C 7548867 WAIKSTFCCDFGHV-IBGZPJMESA-N 338.451 4.566 0 40 EJAB CC(C)CC[C@@]1(CC(=O)Nc2cncs2)CCO[C@@H](C(C)C)C1 8992120 VVVCWIBWABJZOL-CRAIPNDOSA-N 338.517 4.729 0 40 EJAB Cc1ccc(OCCSc2cc(-c3ccccc3)nc(C)n2)cc1 12016920 OBXFXUZKLCWBBM-UHFFFAOYSA-N 336.460 4.932 0 40 EJAB CC[C@H](NC1=CC(=O)OC12CCCCC2)C12CC3CC(CC(C3)C1)C2 12418786 SWXJXPQCUJPXRU-QQABJKMWSA-N 343.511 4.715 0 40 EJAB Cc1ccc2c(c1)S[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)C2 12551903 VDERLXDZEAMPNZ-OAHLLOKOSA-N 338.259 4.957 0 40 EJAB Cc1c(C(=O)Oc2ccccc2)oc2ccc(Br)cc12 12619369 PXJPOEGYDXQOOT-UHFFFAOYSA-N 331.165 4.723 0 40 EJAB O=C(CCSCc1ccc(F)cc1Cl)NC1CCCCC1 12917394 BYVIBRMEEFQFRX-UHFFFAOYSA-N 329.868 4.551 0 40 EJAB CCc1ccc(-n2nc(C)c3c2N=C(O)C[C@@H]3c2ccsc2)cc1 13654148 YCVFAZRDOUOUHQ-MRXNPFEDSA-N 337.448 4.928 0 40 EJAB CC(C)C(=O)Nc1ccc2nc(-c3ccoc3)c(-c3ccoc3)nc2c1 19086245 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EJAB COc1ccc(CNCc2ccc(F)c(-c3cccs3)c2)cc1F 83953174 UAUPVTVNJSGQAD-UHFFFAOYSA-N 345.414 4.992 0 40 EJAB COc1ccc2cc(C(=O)CC3(CC(=O)O)CCCCC3)ccc2c1 95634427 NDXYCPSZSYAZMH-UHFFFAOYSA-N 340.419 4.846 0 40 EJAB NC(=O)c1cccc(-c2cc(Cl)ccc2Cl)c1C(F)(F)F 98071592 DOFYVDPPSSUXQV-UHFFFAOYSA-N 334.124 4.778 0 40 EJAB COc1cccc([C@@H]2Nc3c(C(=O)O)cccc3[C@H]3[C@H]4CC[C@@H](C4)[C@@H]32)c1 197188762 KIVRFPDDAWMQAB-JSXMMJNGSA-N 349.430 4.690 0 40 EJAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1cccc(C)c1 222932369 VVKVBALHORXWJS-HXUWFJFHSA-N 339.479 4.766 0 40 EJAB Cc1ccc(CCC(=O)Nc2ccc(Br)cc2)cc1C 223183115 PVGAKRQNBPKEPS-UHFFFAOYSA-N 332.241 4.637 0 40 EJAB COc1ccc(C(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1Cl 223496741 NYJWEPOMTWJDGS-CQSZACIVSA-N 331.843 4.765 0 40 EJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccc(COC)c1 224475741 IOXOMIOHAOBGNL-QGZVFWFLSA-N 349.883 4.996 0 40 EJAB O=C(CCc1ccc(Cl)cc1)NCCCc1ccccc1Cl 225308168 PUIDNGDWBRJDEO-UHFFFAOYSA-N 336.262 4.675 0 40 EJAB CC[C@H](C)Oc1ccc(NC(=O)C2(OC)CCCCCC2)cc1C 225632039 YEUDOQFIEIQDQA-INIZCTEOSA-N 333.472 4.850 0 40 EJAB CCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC)c(C(F)(F)F)c1 225821247 XAFDHHKJGSDXAX-MRXNPFEDSA-N 347.377 4.638 0 40 EJAB C[C@H](N[C@H](C[C@H]1CCOC1)c1ccccc1)c1ncc(C(C)(C)C)o1 248795621 YUAZECNHUZQIIG-LZLYRXPVSA-N 342.483 4.791 0 40 EJAB CCOc1cc(/C=C/C(=O)Nc2ccc(C)c(Cl)c2)ccc1OC 408613702 XNZNQYFXLSYCQJ-JXMROGBWSA-N 345.826 4.708 0 40 EJAB O=C1C[C@@H](c2ccccc2Br)Sc2ccccc2N1 481206 BQMQTZXFGICBGL-AWEZNQCLSA-N 334.238 4.625 0 40 EJAB Cc1ccccc1C(=O)Nc1cccc(-c2cn3cccc(C)c3n2)c1 2647495 LSBGANJIANBICK-UHFFFAOYSA-N 341.414 4.870 0 40 EJAB CN(Cc1ccc(F)cc1)C(=O)COc1ccccc1-c1ccccc1 3419590 BKEZWEPPGPIFBL-UHFFFAOYSA-N 349.405 4.530 0 40 EJAB Cc1cccc2sc(NC(=O)CCSc3ccccc3)nc12 4078567 VUXIUXQJOQCCGN-UHFFFAOYSA-N 328.462 4.726 0 40 EJAB O=C(CCSc1ccccc1)Nc1nc2ccc(F)cc2s1 4194470 IFJCYXRGGJBWNJ-UHFFFAOYSA-N 332.425 4.556 0 40 EJAB CC1(C)c2cc(F)ccc2N2CCC(O)=N[C@]21/C=C/c1ccccc1 5516383 XSJSSVGCHWDXHC-XMZCSZCVSA-N 336.410 4.693 0 40 EJAB C[C@H](NC(=O)NC(=S)c1cccc2ccccc12)c1ccccc1 6522092 UELVFRGVPUOUAL-AWEZNQCLSA-N 334.444 4.576 0 40 EJAB Cc1ccc(NC(=O)N(C)[C@@H](C)c2nc3ccccc3s2)cc1 6939460 XDPRKGJLIHVMIE-ZDUSSCGKSA-N 325.437 4.830 0 40 EJAB Cc1ccc(OCCCC(=O)N[C@H]2CCSc3ccccc32)cc1 7814072 VBITULJGVZYMAI-SFHVURJKSA-N 341.476 4.507 0 40 EJAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1c(C)cccc1C(C)C 8049303 IALQVYTVNZNAAT-KRWDZBQOSA-N 341.451 4.923 0 40 EJAB O=C(CCC1CCCCC1)Nc1cccc(NC(=O)c2ccco2)c1 11178280 OVFLUAKWXOSMDS-UHFFFAOYSA-N 340.423 4.831 0 40 EJAB CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccc2ncccc2c1 12528160 TWZFHYSLPMQESF-FQEVSTJZSA-N 349.821 4.586 0 40 EJAB Cc1ccsc1CN(CCCO)Cc1cccc2ccccc12 13997305 AXVRHDXCDOVEGT-UHFFFAOYSA-N 325.477 4.594 0 40 EJAB Cc1ccc(C(=O)Nc2nc(-c3cc(F)ccc3F)cs2)cc1C 14086044 AMVGCYZWZPQDMM-UHFFFAOYSA-N 344.386 4.957 0 40 EJAB Cc1cc(COc2ccc3c(=O)c(-c4ccccc4)c(C)oc3c2)on1 14198186 KOLYDWBRMDBFPB-UHFFFAOYSA-N 347.370 4.644 0 40 EJAB CCOCCOc1ccc(NCc2ccc(O[C@@H](C)CC)cc2)cc1 19738435 GNNFVVWQMFYUFR-KRWDZBQOSA-N 343.467 4.891 0 40 EJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccccc1C 20105593 QJRSBYDAYPTJKK-OAQYLSRUSA-N 333.431 4.622 0 40 EJAB CCOC(=O)C1=CS[C@](Cc2ccccc2)(c2ccccc2)S1 24494804 GPDNDYVCQHMPLI-IBGZPJMESA-N 342.485 4.967 0 40 EJAB Cc1ccc(C(=O)Nc2c(-c3cccs3)nc3c(C)cccn23)cc1 27015839 KQFMPJRRTYKTKX-UHFFFAOYSA-N 347.443 4.932 0 40 EJAB O=C(Nc1cccc(CN2CCCCC2)c1)c1c(F)cccc1Cl 27142476 INPXLZSYAAHPCY-UHFFFAOYSA-N 346.833 4.717 0 40 EJAB O=C(Nc1ccc(OC(F)F)cc1)Nc1nc2ccccc2s1 27516703 CABJLKKPXVCAKK-UHFFFAOYSA-N 335.335 4.542 0 40 EJAB O=C(O)c1cccc(Nc2ccnc3c(C(F)(F)F)cccc23)c1 34925931 YCXYJLLVGUWTKC-UHFFFAOYSA-N 332.281 4.695 0 40 EJAB C[C@@H](NC(=O)c1cc(-c2ccco2)on1)c1cccc2ccccc12 37133083 HXMPQROBSNOAMC-CYBMUJFWSA-N 332.359 4.579 0 40 EJAB CCCCOC(=O)c1ccc(NC(=O)Nc2ccc(C)c(C)c2)cc1 51354154 IJAZJNHOXNJTEN-UHFFFAOYSA-N 340.423 4.904 0 40 EJAB O=C(c1cccc(-c2nc3ccc(F)cc3s2)c1)N1CCCCC1 59843062 MHCBCHTXTFGDBP-UHFFFAOYSA-N 340.423 4.729 0 40 EJAB CC(C)OC(=O)c1cccc(NC(=O)/C=C/c2cc3ccccc3o2)c1 67340046 LPCNUIVXWWHEMY-ZHACJKMWSA-N 349.386 4.650 0 40 EJAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1ccc2c(c1)C(=O)c1ccccc1-2 103521082 KNWKNLLHCPJJQD-KKUMJFAQSA-N 331.415 4.663 0 40 EJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@H](C)c1ccc(C)c(C)c1 219378827 MRBKSLOMULMOAD-QUCCMNQESA-N 339.479 4.955 0 40 EJAB O=C(c1cc2ccccc2s1)N1CCC(c2cccs2)CC1 225622464 JPCNSWDNFAXFOD-UHFFFAOYSA-N 327.474 4.983 0 40 EJAB Cc1cc(C)c(C(=O)NCCSc2ccc(Cl)cc2)cc1C 225639958 VTQAJGNPVLOSST-UHFFFAOYSA-N 333.884 4.787 0 40 EJAB COc1cccc(NC(=O)N[C@@H](c2ccccc2)c2cccc(C)c2)c1 225763732 JTMNMIUQSXKADY-NRFANRHFSA-N 346.430 4.915 0 40 EJAB CC(C)(C)[C@@H]1CCN(C(=O)CCc2ccc(Cl)cc2Cl)C1 622506463 LLOHKSUYCCLDIA-CYBMUJFWSA-N 328.283 4.821 0 40 EJAB O=C1S/C(=C\c2ccc(Cl)cc2)C(=O)N1Cc1ccccc1 1781457 LQQKFMQBKAGDMX-GDNBJRDFSA-N 329.808 4.577 0 40 EJAB Cc1ccc([C@@H]2C[C@@H](c3ccc(C(C)C)cc3)Nc3ncnn32)cc1 2500086 VURWMRDUQVGSOW-PMACEKPBSA-N 332.451 4.856 0 40 EJAB O=C(c1ccc(CN2CCCCC2)cc1)c1cc(F)cc(Cl)c1 2514526 LSZCQGVMRPYPKP-UHFFFAOYSA-N 331.818 4.696 0 40 EJAB Clc1cc(Br)c(Br)c(Br)c1 2545237 LFFJEPXOSKOCRR-UHFFFAOYSA-N 349.247 4.628 0 40 EJAB O=C(CSc1cc(Cl)ccc1Cl)NC1CCCCCC1 3343418 AQSRCFHJQBMSMY-UHFFFAOYSA-N 332.296 4.925 0 40 EJAB Cc1ccc(-c2nn(-c3ccc(F)cc3)c(=O)c3ccccc23)cc1 3349546 VXNMJLLJWOHBRY-UHFFFAOYSA-N 330.362 4.500 0 40 EJAB CN(Cc1ccccc1)C(=O)C1c2ccccc2Oc2ccccc21 4673028 DPOLFJVEJCHIAK-UHFFFAOYSA-N 329.399 4.583 0 40 EJAB COc1cc2c(cc1OC)[C@H]1CCCC[C@H]1O[C@@H]2c1ccc(F)cc1 4783958 YCLLGORVUPSCES-FQELHTAISA-N 342.410 4.989 0 40 EJAB Cc1nc(-c2ccc(Cl)cc2)sc1CCNC(=O)C1CCCC1 5136908 XVSXADMVOLDDNJ-UHFFFAOYSA-N 348.899 4.621 0 40 EJAB COc1ccc([C@@H]2NN=C(C34CC5CC(CC(C5)C3)C4)S2)cc1 5744852 BXGULLHPJRBZRU-DUKHMXAISA-N 328.481 4.560 0 40 EJAB CCCCCCOc1ccc(C(=O)Nc2ccccc2OC)cc1 5951263 VWIZZSVEGMKPCJ-UHFFFAOYSA-N 327.424 4.907 0 40 EJAB O=C(OCc1cccc2ccccc12)c1cncn1-c1ccc(F)cc1 6909628 GXRLGQSNWVBLPZ-UHFFFAOYSA-N 346.361 4.522 0 40 EJAB Cc1cc(C)cc(-c2nnc(SCc3nc4ccccc4o3)o2)c1 7160397 UKJFBACWNFLCOU-UHFFFAOYSA-N 337.404 4.787 0 40 EJAB O=C(Nc1nc(CSCc2ccc(F)cc2)cs1)c1ccco1 12230233 XGMRDKQRHDOTOJ-UHFFFAOYSA-N 348.424 4.561 0 40 EJAB Cc1ccc(-n2cnnc2SCc2ccc(F)cc2)cc1Cl 12609171 WIJPUNVQMVXCSA-UHFFFAOYSA-N 333.819 4.661 0 40 EJAB O=C(Cc1ccc2ccccc2c1)NCc1cccc(C(F)(F)F)c1 13001265 CBNHEHONBKAJBA-UHFFFAOYSA-N 343.348 4.718 0 40 EJAB c1csc(-c2cnc(NC3CCCC3)nc2-c2nccs2)c1 13266529 LZXMMTXALMFKFS-UHFFFAOYSA-N 328.466 4.683 0 40 EJAB CCOc1ccc(NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1 13689086 AXKZZZJDJVJXPP-OAHLLOKOSA-N 335.403 4.645 0 40 EJAB O=C(NCCSCc1ccc(Cl)c(Cl)c1)C1CCCCC1 13716914 SGVGLESNOHNSFN-UHFFFAOYSA-N 346.323 4.923 0 40 EJAB O=C1Nc2ccc(Br)cc2/C1=C/c1cccc(Cl)c1 15016058 GXAHQMQHHHLBDQ-QPEQYQDCSA-N 334.600 4.595 0 40 EJAB COc1ccc2[nH]c(CN3CCc4c([nH]c5ccccc45)[C@H]3C)cc2c1 19498298 AYTVKBARGSNCCG-CQSZACIVSA-N 345.446 4.777 0 40 EJAB C[C@H](c1cc2ccccc2o1)N(C)Cc1nnc(-c2ccccc2)o1 30005526 PUDNZQAUXMRESW-CQSZACIVSA-N 333.391 4.676 0 40 EJAB O=C(CCC1CCCC1)Nc1cnn(Cc2c(F)cccc2Cl)c1 32609693 MHLQSZIKTOJCHB-UHFFFAOYSA-N 349.837 4.633 0 40 EJAB Cc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3C)n[nH]2)cc1 57477055 IXFZRZWQILKCMZ-UHFFFAOYSA-N 325.799 4.599 0 40 EJAB CC[C@@H](Oc1ccc(C)cc1)C(=O)N[C@@H](C)c1ccc(C)c(C)c1 59351300 WKFXRRSRCZPGOP-FXAWDEMLSA-N 325.452 4.647 0 40 EJAB Cc1csc(-c2ccc(C(=O)N3CCC[C@H]4CCCC[C@@H]43)cc2)n1 71847880 QSBIJYSONPMEBP-QAPCUYQASA-N 340.492 4.913 0 40 EJAB COC(=O)N(C)c1ccc(NCc2cccc(-c3ccncc3)c2)cc1 89365238 FCYTUOXPTDMZJY-UHFFFAOYSA-N 347.418 4.563 0 40 EJAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H](C)c1ccc(F)cc1 113970675 CPIWGPKRMZUKBI-FZKQIMNGSA-N 349.833 4.822 0 40 EJAB CCc1ccccc1O[C@@H](C)C(=O)N[C@H](CC)c1ccc(C)c(C)c1 219295789 RDADDGPYIMYRLK-FXAWDEMLSA-N 339.479 4.901 0 40 EJAB COc1cc(C)c([C@H](C)NC(=O)c2ccc(C)cc2)cc1C(C)C 223262525 ODOKXPZNOFKOLW-INIZCTEOSA-N 325.452 4.926 0 40 EJAB C[C@H](CNC(=O)c1ccccc1OCc1ccccc1)c1ccccc1 224274161 NKQNCWKSAQNUKL-GOSISDBHSA-N 345.442 4.799 0 40 EJAB COC1(C(=O)Nc2ccc(OC(C)C)c3ccccc23)CCCC1 225804692 OTSVNHMLZZTUCO-UHFFFAOYSA-N 327.424 4.525 0 40 EJAB CCCCc1ccc(NS(=O)(=O)c2ccc(OCC)c(C)c2)cc1 408553909 RKYFXOAZUVJVBW-UHFFFAOYSA-N 347.480 4.537 0 40 EJAB CC(C)[C@H]1N(C(=O)Cc2ccc(Cl)c(Cl)c2)CC12CCC2 622613585 TUCPCGQVOXXHNH-MRXNPFEDSA-N 326.267 4.573 0 40 EJAB CC(C)n1cc(C(C)(C)NCc2ccc3oc4ccccc4c3c2)nn1 894984768 HGJVSKNLCKJGPT-UHFFFAOYSA-N 348.450 4.783 0 40 EJAB c1ccc(-c2cc3c(-n4cnc5ccccc54)ncnc3s2)cc1 102539 LONAXYDCJAQUKD-UHFFFAOYSA-N 328.400 4.697 0 40 EJAB c1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)cc1 115103 PPEFRUATYSNLBV-FXAWDEMLSA-N 332.428 4.990 0 40 EJAB Cc1csc(NC(=O)c2cc(-c3ccco3)nc3ccccc23)n1 3249761 FJNSTSOBVHFVEK-UHFFFAOYSA-N 335.388 4.512 0 40 EJAB COC(=O)c1c(NC(=O)c2ccc3ccccc3c2)sc(C)c1C 4570491 JXBMOYKGUOEEAD-UHFFFAOYSA-N 339.416 4.557 0 40 EJAB CC(=O)c1cccc(NC(=O)c2sc(-c3cccs3)nc2C)c1 6789195 MJICEMWGBADAAF-UHFFFAOYSA-N 342.445 4.635 0 40 EJAB O=C(CSC[C@@H]1CC1(Cl)Cl)Nc1ccc2ccccc2c1 6850494 HBBOMHHSWCFYOF-ZDUSSCGKSA-N 340.275 4.705 0 40 EJAB C[C@@H](NCc1ccc(C(=O)Nc2ccccc2)cc1)c1ccccc1 7016094 DRXRKRLRCUCMSJ-QGZVFWFLSA-N 330.431 4.790 0 40 EJAB CC(=O)c1ccc(OCc2c(-c3ccccc3)nc3ccccn23)cc1 8136380 MPNXQYVTTDGQSN-UHFFFAOYSA-N 342.398 4.783 0 40 EJAB Brc1ccc(C2=CCN(Cc3ccccc3)CC2)cc1 8700484 IXIPFXSBPXIFIC-UHFFFAOYSA-N 328.253 4.738 0 40 EJAB CCOc1ccccc1NC(=O)CCc1ccc(C(C)(C)C)cc1 10368946 COCYECNVAFOJPS-UHFFFAOYSA-N 325.452 4.954 0 40 EJAB COc1ccc2cc(C(=O)Nc3ccc(C)c(Cl)c3)c(C)nc2c1 10405160 GCWJFJKBMWANOS-UHFFFAOYSA-N 340.810 4.766 0 40 EJAB O=C(CCc1ccccc1)Nc1ccc(-c2cn3ccsc3n2)cc1 12583489 VGGRCIJGUJMXJQ-UHFFFAOYSA-N 347.443 4.634 0 40 EJAB CC(C)[C@@H](NC(=O)Nc1cccc(Cl)c1)c1nc2ccccc2[nH]1 12602341 KVONCAHDUZURBP-MRXNPFEDSA-N 342.830 4.735 0 40 EJAB CSc1ccc(Cl)c(C(=O)Nc2ccc3oc(C)nc3c2)c1 12762309 HYJLBIWYWOVIGJ-UHFFFAOYSA-N 332.812 4.764 0 40 EJAB CSc1ccccc1C(=O)NCCCc1ccc(OC(C)C)cc1 13669163 NJECYSNUGINSEO-UHFFFAOYSA-N 343.492 4.558 0 40 EJAB Cc1cnc(NC(=O)c2sc(-c3ccccc3Cl)nc2C)s1 13722571 UPVWEVYHNVJAGY-UHFFFAOYSA-N 349.868 4.789 0 40 EJAB COC(=O)C1=CS[C@@](Cc2ccccc2)(c2ccccc2)S1 18194568 LLSIZJHNEKXLHW-GOSISDBHSA-N 328.458 4.577 0 40 EJAB Cc1ccc(C)c(O[C@@H](C)C(=O)N[C@@H](CC(C)C)c2ccccc2)c1 20108266 PRGLFZBRJBSBMU-ICSRJNTNSA-N 339.479 4.974 0 40 EJAB O=C(O)c1cccc2c1N[C@H](c1ccccc1)[C@@H](c1ccccc1)N2 22115700 CGCADNMILNKOBY-RTBURBONSA-N 330.387 4.705 0 40 EJAB COC(=O)c1c(CCc2ccc(Cl)cc2Cl)cccc1OC 35973630 RQEFUYGEENXSCX-UHFFFAOYSA-N 339.218 4.574 0 40 EJAB O=C(C[C@@H]1C=CCC1)Nc1cc(C(F)(F)F)ccc1N1CCCC1 36397717 GVLZMHCAAXUPSF-CYBMUJFWSA-N 338.373 4.600 0 40 EJAB CCc1cccc2c(-c3csc(-c4cccc(C(N)=O)c4)n3)c[nH]c12 40118796 ZCHOSKQWKQFTTB-UHFFFAOYSA-N 347.443 4.620 0 40 EJAB Cc1noc(C)c1CSc1ccccc1C(=O)N1CCCCCC1 50079087 HAPLBQOOOIIWIS-UHFFFAOYSA-N 344.480 4.600 0 40 EJAB Cc1ccc(-c2cc(C(=O)Nc3c(C)cccc3Cl)n[nH]2)cc1 57477056 JQAFYPSJQFZCCD-UHFFFAOYSA-N 325.799 4.599 0 40 EJAB CCCCN(C(=O)c1cc(C2CC2)n(C(C)(C)C)n1)c1ccccc1 59257767 BOEQNLSNYRJKHU-UHFFFAOYSA-N 339.483 4.962 0 40 EJAB COc1cc(CO)c(Cl)cc1OCc1ccc(Cl)c(Cl)c1 95095047 BQPWGHVACSVMIN-UHFFFAOYSA-N 347.625 4.727 0 40 EJAB CCCC[C@@H]1OC[C@@]2(COC(=O)NC(C)C)[C@@H](C)C=C(C)[C@H]1[C@H]2C 105365108 CTQMHZOSXPTAQT-MUPNANLLSA-N 337.504 4.545 0 40 EJAB biogenic CC[C@@H](NC(=O)[C@H](C)Oc1cc(C)ccc1C)c1ccc(C)c(C)c1 219073827 HROMRLLVVNNENC-AZUAARDMSA-N 339.479 4.955 0 40 EJAB CC(C)Oc1ccc(CNC(=O)CCc2cccc3ccccc23)cc1 222674912 YPNQFLAMBYYNPY-UHFFFAOYSA-N 347.458 4.876 0 40 EJAB CCc1ccc([C@H](C)NC(=O)[C@H](CC)Oc2cc(C)ccc2C)cc1 224797044 GMWLLEHIAUAJLX-PXNSSMCTSA-N 339.479 4.901 0 40 EJAB C[C@H](Cc1cccc2ccccc12)C(=O)NCCc1ccc(F)cc1 224941670 LTMPEKUUETVKRM-MRXNPFEDSA-N 335.422 4.516 0 40 EJAB Cc1cc(O[C@@H](Cc2cc(Cl)ccc2C)C(=O)O)ccc1Cl 225077318 QHNQWXPVPHAGME-INIZCTEOSA-N 339.218 4.685 0 40 EJAB COc1ccc(NC(=S)N[C@@H]2CCCc3ccccc32)cc1Cl 225459585 WQHWHCRYXWOGFX-MRXNPFEDSA-N 346.883 4.713 0 40 EJAB O=C1OC(Cc2ccccc2)=N/C1=C/c1ccc(Cl)cc1Cl 408844389 OFZNZBCSLNBKPA-OQLLNIDSSA-N 332.186 4.532 0 40 EJAB O=C(/C=C/c1ccsc1)NCCc1ccc(-c2ccsc2)s1 585148101 UBSXVCUJYFCYCK-DAFODLJHSA-N 345.514 4.910 0 40 EJAB CCCN(CCC)c1ccc(C(=O)Oc2c(C)cccc2OC)cc1 1578146 YVCMFYWMLHMQIP-UHFFFAOYSA-N 341.451 4.849 0 40 EJAB Cc1nn(C(=O)c2ccc(F)cc2)c(C)c1Sc1ccc(F)cc1 2685879 PVNZGECVABMYHX-UHFFFAOYSA-N 344.386 4.618 0 40 EJAB COc1ccc(Cl)cc1NC(=O)CSc1c[nH]c2ccccc12 4108465 MXYOVBJKPFTHJI-UHFFFAOYSA-N 346.839 4.561 0 40 EJAB Cc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccnc4)=NN32)cc1 4292017 UXXCNNLBRRVPLR-RBBKRZOGSA-N 341.414 4.632 0 40 EJAB CCCC[C@H](CC)CNC(=O)C(C)(C)Oc1ccc(Cl)cc1 6310784 RZOIIDSMYKCXHG-AWEZNQCLSA-N 325.880 4.830 0 40 EJAB Cc1nc(Nc2ccc(F)cc2)sc1C(=O)Nc1ccccc1 8042167 WVKDUYYQGLYBBN-UHFFFAOYSA-N 327.384 4.587 0 40 EJAB O=C(CCSc1ccccc1)Nc1cccc(C(F)(F)F)c1 8306761 YYOPHJRIWWCUBC-UHFFFAOYSA-N 325.355 4.826 0 40 EJAB CC[C@@H](C)NCc1cccc(OC)c1OCc1ccccc1Cl 8326032 PQXZFTYFTVVGHO-CQSZACIVSA-N 333.859 4.816 0 40 EJAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccc2ccccc2n1 8329090 YVQHQGXJECWFOS-UHFFFAOYSA-N 346.386 4.529 0 40 EJAB c1ccc(COCc2nc3ccccc3n2Cc2ccccc2)cc1 8710270 GOGUNPGBSJJBNG-UHFFFAOYSA-N 328.415 4.801 0 40 EJAB Cc1cc(Nc2ccc(C(C)C)cc2)n2nc(-c3ccco3)nc2n1 9526448 QVDDRGCNSVKWQU-UHFFFAOYSA-N 333.395 4.560 0 40 EJAB Cc1ccsc1-c1nnc2sc(-c3ccc(Cl)cc3)nn12 12391760 XZYGUPFJHPVANM-UHFFFAOYSA-N 332.841 4.543 0 40 EJAB Cc1ccccc1[C@H](Sc1nnc2ccccn12)c1ccccc1 12853947 CRXGVCGKKNVRLG-LJQANCHMSA-N 331.444 4.919 0 40 EJAB CCc1noc(C)c1C(=O)Nc1nc(-c2ccccc2Cl)cs1 14019168 NXBRYYRVVGGZSR-UHFFFAOYSA-N 347.827 4.575 0 40 EJAB CSc1ccc(Cl)c(C(=O)Nc2nc3ccccc3s2)c1 14825977 FLSNXPOBUNYUFX-UHFFFAOYSA-N 334.853 4.924 0 40 EJAB O=C(O)c1cc(NC(=O)c2ccc(Cl)cc2Cl)ccc1Cl 20138596 SAMUOISPSLMJSM-UHFFFAOYSA-N 344.581 4.597 0 40 EJAB CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)c1cc(C)ccc1C 22529715 FLIFOIYPOHBSJM-MAUKXSAKSA-N 345.870 4.992 0 40 EJAB C[C@@H](NC(=O)CCc1ccc(Cl)cc1Cl)c1ccc(F)cc1 23053821 MQGFBWWFHMQUGA-LLVKDONJSA-N 340.225 4.943 0 40 EJAB CCCCC(=O)Nc1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1 32623244 FNBAXUKBLSMSIH-UHFFFAOYSA-N 339.370 4.671 0 40 EJAB Cc1cc(C)cc(OCCC(=O)N[C@@H](c2cccs2)C(C)C)c1 32765737 RWXYIWIXTVKYBU-LJQANCHMSA-N 331.481 4.647 0 40 EJAB CC(=O)Nc1cccc([C@H](C)NC(=O)Nc2ccc(C(C)C)cc2)c1 40096983 IIYVFABYIWUUNT-AWEZNQCLSA-N 339.439 4.651 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)COc2ccc3ccccc3c2)c(C)c1 59351586 XSFHDMPTNPIMIV-QGZVFWFLSA-N 333.431 4.713 0 40 EJAB CC[C@H](Sc1nncn1-c1ccccc1OC)c1ccccc1 64367964 YVUFARBXOUNYBT-KRWDZBQOSA-N 325.437 4.519 0 40 EJAB CCc1ccc([C@H](C)NC(=O)COc2ccc(C(C)(C)C)cc2)cc1 78457856 SJFZXNXPNFYYHL-INIZCTEOSA-N 339.479 4.803 0 40 EJAB Cc1cc(C)c2c(N)c(-c3nc4cccc(Cl)c4o3)sc2n1 78546462 DOJFFOLALQSEII-UHFFFAOYSA-N 329.812 4.957 0 40 EJAB O=C(C1CCC(F)(F)CC1)N(CC(F)F)c1cccc(Cl)c1 90000706 AVHDYSAKEAIHPX-UHFFFAOYSA-N 337.744 4.764 0 40 EJAB CN1c2ccccc2S[C@@]12C=Cc1cc(Br)ccc1O2 137214358 RZZMJKVEIFYGLJ-INIZCTEOSA-N 346.249 4.751 0 40 EJAB CC1(C)C[C@@H](NC(=O)CCc2ccccc2Cl)c2ccccc2O1 220016739 SIGSWICQHOYJND-QGZVFWFLSA-N 343.854 4.691 0 40 EJAB COc1ccc(C(=O)N[C@@H](C)c2cc(C(C)C)c(OC)cc2C)cc1 223262615 YAYYWHYDWUVJEE-HNNXBMFYSA-N 341.451 4.627 0 40 EJAB Fc1cccc(-c2nccnc2[C@@H]2CCCN(C3CCCCC3)C2)c1 257281566 OPWIUZLVAZGWTA-QGZVFWFLSA-N 339.458 4.795 0 40 EJAB O=C(Oc1ccc(-c2ccccc2)nn1)c1ccc(Cl)cc1Cl 408532419 XZAJADYNDLNATK-UHFFFAOYSA-N 345.185 4.670 0 40 EJAB CC(C)CCn1ncc(NC(=O)N2CCC[C@H]2C2CCC2)c1C(C)C 572576837 KUQZYIYGGMIZKN-SFHVURJKSA-N 346.519 4.849 0 40 EJAB Cc1ccc(-c2csc(N[C@H]3OC(=O)c4ccccc43)n2)c(C)c1 100299 ZTHSHHFQXQCOET-KRWDZBQOSA-N 336.416 4.708 0 40 EJAB CC1(C)CC(c2c[nH]c3ccccc23)=CC2=Nc3ccccc3[C@]21O 1618970 ZJSCSYPLASWQES-QFIPXVFZSA-N 328.415 4.955 0 40 EJAB CC(=O)c1ccc(OCCCCCOc2ccc(C(C)=O)cc2)cc1 3068337 WYUJOAJHEHUTMT-UHFFFAOYSA-N 340.419 4.720 0 40 EJAB biogenic Cc1cccc2c(CCNC(=O)CC[C@@H](C)c3ccccc3)c[nH]c12 3465921 WBYMBCDCSJNOIS-MRXNPFEDSA-N 334.463 4.719 0 40 EJAB CCc1ccc(Nc2nnc(SC[C@@H]3CCCCO3)s2)cc1 3532129 MPXCXLCFGOYBKY-AWEZNQCLSA-N 335.498 4.505 0 40 EJAB C[C@]12CC[C@@H]3[C@@H](CC[C@H]4CC(CC(=O)O)=CC[C@@]43C)[C@@H]1CCC2=O 3849768 ZMIHCYKKQDEVNI-GQDVPIKJSA-N 330.468 4.609 0 40 EJAB Cc1ccc2sc(NC(=O)CSc3ccc(F)cc3)nc2c1C 4496764 CFSBCIHLZYJKFJ-UHFFFAOYSA-N 346.452 4.783 0 40 EJAB CCCCCc1nc2ccccc2c(=O)n1-c1ccccc1Cl 4545670 WCEZVUGVUDHEBK-UHFFFAOYSA-N 326.827 4.772 0 40 EJAB Cc1ccc(NC(=O)[C@@H](C)Sc2nc(C)c(C)n2CC(C)C)cc1 5152018 PCOBXVYIXPJHDK-MRXNPFEDSA-N 345.512 4.584 0 40 EJAB Cc1ccc(NC2(c3nnnn3-c3ccc(C)cc3)CCCCC2)cc1 5363254 HHELPBWEXWNHCR-UHFFFAOYSA-N 347.466 4.551 0 40 EJAB O=C(CSc1ncnc2sccc12)c1ccc2c(c1)CCCC2 6115367 RGCOKUISDUCOCB-UHFFFAOYSA-N 340.473 4.545 0 40 EJAB O=C(COc1cccc2cccnc12)Nc1cc(Cl)cc(Cl)c1 6127951 ROBDPPXCHLVBRL-UHFFFAOYSA-N 347.201 4.559 0 40 EJAB Cc1ccc(-c2cc(C(=O)Nc3nccs3)c3ccccc3n2)cc1 6277674 MKRFIPBQOYXIKH-UHFFFAOYSA-N 345.427 4.919 0 40 EJAB CCS[C@@H]1c2ccccc2C(=O)N1[C@H](C)CCc1ccccc1 9425635 DRHRJCGGYNUMQG-FOIQADDNSA-N 325.477 4.915 0 40 EJAB CC1=Nc2ccccc2N=C(NC(=O)c2ccco2)[C@@H]1c1ccccc1 9667379 KCJDQXLNWQZJTL-IBGZPJMESA-N 343.386 4.629 0 40 EJAB CCOc1ccc(NC(=S)Nc2ccccc2C(F)(F)F)cc1 13791832 ZQUSNTHYBKDGPT-UHFFFAOYSA-N 340.370 4.913 0 40 EJAB CCc1ccc2oc(C(=O)Nc3ccc4nsnc4c3)c(C)c2c1 15841348 RKTBPXQDGVMYHB-UHFFFAOYSA-N 337.404 4.561 0 40 EJAB COCc1ccc(C(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)cc1 23143649 HBJKOTXXDZIIGZ-KRWDZBQOSA-N 345.442 4.991 0 40 EJAB C[C@@H](NC(=O)CSCc1cccc(Cl)c1)c1ccc(F)cc1 23488901 MHMAEBGYSRRKIC-GFCCVEGCSA-N 337.847 4.590 0 40 EJAB O=C(/C=C/c1ccsc1)N1Cc2ccccc2[C@@H](c2ccccc2)C1 29226895 YLAMAVSQZZJMSQ-RQWLHQTBSA-N 345.467 4.936 0 40 EJAB Cc1ccccc1-n1ncc(C(=O)Nc2cccc(C)c2C)c1C1CC1 29736601 FQEQJYKXYSWNFK-UHFFFAOYSA-N 345.446 4.927 0 40 EJAB C[C@@H](Oc1cccc2ccccc12)c1nc2c3ccccc3ncn2n1 32117729 VTGVDELXKDPIMF-CQSZACIVSA-N 340.386 4.571 0 40 EJAB Cc1ccc(CSc2nnc(COc3c(C)cccc3C)o2)cc1 33721473 SGHSVAPGDOOYJE-UHFFFAOYSA-N 340.448 4.866 0 40 EJAB COc1cccc(COCc2cc(C(C)(C)C)ccc2C)c1C(=O)O 35973495 BPNZJQSHOKSHEU-UHFFFAOYSA-N 342.435 4.716 0 40 EJAB O=C(Cc1cccs1)c1ccc(Br)cc1C(F)(F)F 54270011 CKCAWMFNNCCZJD-UHFFFAOYSA-N 349.171 4.955 0 40 EJAB Cc1cccc(N2CCN(Cc3cccc(Cl)c3Cl)CC2)c1C 57537494 NOLYQEPZSCSRLB-UHFFFAOYSA-N 349.305 4.932 0 40 EJAB Cc1cc(SC(C)(C)C)ccc1NC(=O)N(C)Cc1ccncc1 69628873 FCISHPRSYFPLIH-UHFFFAOYSA-N 343.496 4.945 0 40 EJAB Cc1c([C@H](C)N[C@H](C)c2ccncc2)cnn1-c1cccc(Cl)c1 89544956 JPUFRYKDVHSEAH-KGLIPLIRSA-N 340.858 4.641 0 40 EJAB C[C@H]1Cc2ccccc2N1C(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 195531359 RPGLWNQAGYWZSU-BVZIGLSBSA-N 329.871 4.542 0 40 EJAB C[Si](C)(C)c1cc([Si](C)(C)C)c(Cl)c(Cl)c1Cl 196173448 LKWQVHJXEOZHJJ-UHFFFAOYSA-N 325.815 4.737 0 40 EJAB Cc1ccc(N2CCC(C(=O)Nc3ccc(Cl)cc3)CC2)cc1 219849019 PMRNUSUZGHAVSF-UHFFFAOYSA-N 328.843 4.504 0 40 EJAB Cc1cc(C)c([C@H](C)NC(=O)COc2ccc(C(C)C)cc2)cc1C 223452057 CIKSIMUJSYRGFV-SFHVURJKSA-N 339.479 4.991 0 40 EJAB Cc1cc(C)cc(O[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)O)c1 225088203 YLNFHAMGLYXKKF-INIZCTEOSA-N 339.218 4.685 0 40 EJAB O=C(Cc1cccs1)N[C@H]1CC2(CCCCC2)Oc2ccccc21 225366838 OUDXAJNUJQTMFX-KRWDZBQOSA-N 341.476 4.634 0 40 EJAB Cc1cc(C)c(NC(=O)c2snnc2-c2ccc(F)cc2)c(C)c1 225781451 JYXXNGQNWUVZAW-UHFFFAOYSA-N 341.411 4.522 0 40 EJAB CCN(C(=O)C(F)(F)F)c1cc(C)c2oc(-c3ccccc3)nc2c1 226281969 RCGZNFXRJXRTKZ-UHFFFAOYSA-N 348.324 4.718 0 40 EJAB c1ccc(C2=NN3[C@H](c4ccsc4)Oc4ccccc4[C@H]3C2)cc1 227485561 YASSPHSXBBCXCW-QUCCMNQESA-N 332.428 4.990 0 40 EJAB COc1ccc(C(=O)CCc2cc(Cl)cc(Cl)c2)cc1OC 228921500 MIEUPMKKYBORMW-UHFFFAOYSA-N 339.218 4.826 0 40 EJAB CO[C@H](C)c1nsc(Oc2ccc(Sc3ccncc3)cc2)n1 252500408 SUXRUIKAECPICO-LLVKDONJSA-N 345.449 4.584 0 40 EJAB Cc1nc(C(C)C)sc1[C@H](C)N(C)Cc1ccsc1C(=O)O 568066186 SCVFHPSLWIBQDN-NSHDSACASA-N 338.498 4.528 0 40 EJAB O=C(CCc1c(Cl)cccc1Cl)N1CCC2(CC1)CC2(F)F 653905320 YJOYCFZSDFYUHH-UHFFFAOYSA-N 348.220 4.574 0 40 EJAB CC(=O)O[C@H]1c2cc(C)ccc2N[C@@H](c2ccc(F)cc2)C1(C)C 172764 VYOMGGLYTZAYIH-OALUTQOASA-N 327.399 4.931 0 40 EJAB Cc1cc(C)cc(NC(=O)c2ccc(Cl)c(NC(=O)C(C)C)c2)c1 365557 RDAXFOGLQSTZMP-UHFFFAOYSA-N 344.842 4.804 0 40 EJAB CCSc1ncnc2c1sc1nc(C(C)C)c3c(c12)CCC3 520863 HKPVDZBLTJXEPS-UHFFFAOYSA-N 329.494 4.964 0 40 EJAB CCC(=O)N(CC[C@H](C(C)C)[C@H]1CCOC(C)(C)C1)Cc1ccco1 2105617 LSPWQLQHZZKYDW-PKOBYXMFSA-N 349.515 4.886 0 40 EJAB biogenic Cc1cccc(-c2cc(C(=O)n3nc(C)cc3C)c3ccccc3n2)c1 2739033 UPBATVXRTIQNFA-UHFFFAOYSA-N 341.414 4.712 0 40 EJAB Cc1nc(S[C@@H](C)C(=O)c2c[nH]c3ccccc23)c2ccccc2n1 4221363 OJIMYSFCISMSNI-LBPRGKRZSA-N 347.443 4.783 0 40 EJAB COc1cccc2c1CC[C@H]1[C@H]2CC[C@@H]2C[C@H](OC(C)=O)CC[C@]12C 4532603 NTOWCXZNUSRHKI-HGWOPWLJSA-N 342.479 4.873 0 40 EJAB COc1ccc([C@@H](c2ccccc2OC)c2ccccc2C(=O)O)cc1 4692316 ZWGVQLGYUMKFFA-OAQYLSRUSA-N 348.398 4.582 0 40 EJAB C[C@@H](Sc1nc2ccccc2[nH]1)C(=O)Nc1cccc2ccccc12 4911136 GOHOLEHGQQTCMQ-CYBMUJFWSA-N 347.443 4.835 0 40 EJAB CCc1ccc(-c2csc(NC(=O)c3cc(Cl)ccn3)n2)cc1 5269664 OUDDLTHIMXFDML-UHFFFAOYSA-N 343.839 4.673 0 40 EJAB Cc1ccc(C(=O)OCC2CCCCC2)cc1NC(=O)c1ccco1 5994914 SHYFQQUIHPMTEB-UHFFFAOYSA-N 341.407 4.577 0 40 EJAB Cc1cc(SCC(=O)Nc2cc(F)ccc2F)nc2ccccc12 6788607 PFHWVWVIJKXOBB-UHFFFAOYSA-N 344.386 4.552 0 40 EJAB CCOc1ccc(OCC)c(NC(=O)c2ccc3ccccc3c2)c1 7791742 BNYRSVIEHTVLEI-UHFFFAOYSA-N 335.403 4.890 0 40 EJAB CCOc1cc2c(cc1/C=C/c1ccc3cccc(O)c3n1)O[C@@H](C)C2 12549219 WYEUIHYRRUSHTG-PLWJUESGSA-N 347.414 4.833 0 40 EJAB CC(=O)N[C@@H](C)CCc1ccc(-c2csc(-c3ccco3)n2)cc1 12738218 VHMUKGBFTAKMAN-ZDUSSCGKSA-N 340.448 4.527 0 40 EJAB CCn1c(S[C@@H]2CCCCCC2=O)nnc1-c1ccc(Cl)cc1 12867297 KUTNOZVXXCYWFH-OAHLLOKOSA-N 349.887 4.612 0 40 EJAB C[C@@H](Nc1ncnc2scc(-c3ccccc3)c12)c1ccccn1 15171935 FIBZVJIQGIKIRE-CYBMUJFWSA-N 332.432 4.926 0 40 EJAB O=C(N[C@H]1CCc2ccccc21)c1sc2ccccc2c1Cl 16471725 TXZDCTTWWYVOGV-AWEZNQCLSA-N 327.836 4.972 0 40 EJAB Cc1ccccc1OCC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 17963047 RXXZNTZDGSVAHN-GFCCVEGCSA-N 338.234 4.558 0 40 EJAB C[C@@H]1CC[C@@H](c2cccn2C)N(C(=S)Nc2ccccc2)CC1 18943507 DTCACUGAERELGV-QAPCUYQASA-N 327.497 4.585 0 40 EJAB CN(C)c1cccc(C(=O)Nc2ccc(Nc3ccccc3)cc2)c1 21007019 MOJWAMFHQWNTRQ-UHFFFAOYSA-N 331.419 4.749 0 40 EJAB COc1ccc(NC(=O)c2ccccc2Nc2ccccc2)cc1OC 26521037 GWOFNQWGTQKIGI-UHFFFAOYSA-N 348.402 4.700 0 40 EJAB Cc1nc2ccccc2nc1S[C@H](C)C(=O)c1c[nH]c2ccccc12 29282954 RNAAMWVZTYNFDK-CYBMUJFWSA-N 347.443 4.783 0 40 EJAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1cccc(SC)c1 38753628 RSCNBVQEWSYKCY-OAHLLOKOSA-N 335.856 4.858 0 40 EJAB C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)Cc1cccc2cccnc12 40072292 DPITXOXFOGZSLL-AWEZNQCLSA-N 338.838 4.650 0 40 EJAB Cc1ccc(Cl)cc1NC(=O)NC1CCC(C(F)(F)F)CC1 43357175 RFJCDUOTHRXXGH-UHFFFAOYSA-N 334.769 4.891 0 40 EJAB Cc1ccc([C@H](C)NC(=O)[C@H](C)SCc2ccccc2)c(C)c1 44902180 UQFCWIZSYLWDIJ-IRXDYDNUSA-N 327.493 4.803 0 40 EJAB Cc1cccc(OC(F)F)c1NC(=O)CCCc1cccs1 58163030 NADYHKHADSVJQZ-UHFFFAOYSA-N 325.380 4.619 0 40 EJAB CC[C@H](NC(=O)[C@@H](C)Oc1ccc(C)c(C)c1)c1ccc(C)cc1 59351752 AKAWAWUHLUATMB-XLIONFOSSA-N 325.452 4.647 0 40 EJAB Cc1nc(N2CCCCC2)ccc1[C@H]1CCCN1Cc1ccccc1 72219270 XKUHDEMVKPZUNL-OAQYLSRUSA-N 335.495 4.717 0 40 EJAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(C)cc1 222912558 ATVMXSYPQWLIAC-HXUWFJFHSA-N 339.479 4.766 0 40 EJAB CCc1ccccc1O[C@@H](C)C(=O)N[C@H](C)c1cc(C)c(C)cc1C 223463909 OYMSJLJCUIRBHF-MSOLQXFVSA-N 339.479 4.819 0 40 EJAB CCOc1ccc(C(=O)Nc2ccc(C)cc2)cc1COCC(C)C 224735627 OLIRMFSXWDRJIF-UHFFFAOYSA-N 341.451 4.819 0 40 EJAB CCc1ccc(CC)c(CNC(=O)[C@H](C)Oc2ccccc2Cl)c1 224763050 UUAYEPDHTPYXCK-AWEZNQCLSA-N 345.870 4.549 0 40 EJAB CCCOc1ccc(NC(=O)C2(c3ccccc3)CCCC2)c(C)n1 225859364 AXBBDZHEHNMECJ-UHFFFAOYSA-N 338.451 4.629 0 40 EJAB Cc1cccc(-n2nc(C(=O)O)cc2-c2cccc3ccccc23)c1 408726782 URCLALSTUWFXGY-UHFFFAOYSA-N 328.371 4.699 0 40 EJAB CCCCN1C(=O)S/C(=C\c2cc(C(C)C)c(OC)cc2C)C1=O 409061921 KAZFTMWZHBBUFI-BOPFTXTBSA-N 347.480 4.963 0 40 EJAB Cc1ccsc1/C=C1/SC(=O)N(CCCc2ccccc2)C1=O 409133663 MEBBQUPURPGKPR-FOWTUZBSSA-N 343.473 4.726 0 40 EJAB COc1ccccc1[C@@H]1Nc2ccc(Cl)cc2[C@@H]2OCCC[C@H]12 409191096 ZTKNUNAHEXHPEO-MDASCCDHSA-N 329.827 4.983 0 40 EJAB CCOC1CC2(CCN(C(=O)c3sc4ccc(C)cc4c3C)C2)C1 585082115 JADFXPZZCXDOHW-UHFFFAOYSA-N 343.492 4.549 0 40 EJAB CO[C@H](C)CCNc1nc(-c2cccc(Cl)c2)nc2c1CCCC2 1651076778 BQLCKJUXAYKXIN-CYBMUJFWSA-N 345.874 4.513 0 40 EJAB Cc1ccc(-c2ccc3c(c2)C2(CCOCC2)CN3C(=O)C(C)C)cc1 2056225283 IHUHLTDPLUORDZ-UHFFFAOYSA-N 349.474 4.713 0 40 EJAB CCOc1ccc2nc(SCC(=O)c3ccccc3F)sc2c1 3277258 XTLMGRWDUPARCH-UHFFFAOYSA-N 347.436 4.809 0 40 EJAB CCOc1ccc(N(C(=O)Nc2ccccc2C)C2=NCCC2)cc1 4570572 QDCBDMOYWMKRQW-UHFFFAOYSA-N 337.423 4.625 0 40 EJAB COc1ccc2c(c1)SC[C@@]1(C)C2=CC[C@]2(C)C(=O)CC[C@]21C 4666767 QQHXASQOUYMTQW-HSALFYBXSA-N 328.477 4.970 0 40 EJAB CN(C)c1ccc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 4798343 KDFIQHQZSXYODC-UHFFFAOYSA-N 343.641 4.965 0 40 EJAB O=C(CCSCc1ccc(Cl)c(Cl)c1)Nc1nccs1 4983115 ZBUYHLKANYADDZ-UHFFFAOYSA-N 347.292 4.712 0 40 EJAB CCc1ccc(NC(=O)[C@H](C)Sc2nc3ccccc3o2)cc1 5033592 BJONGIPRBVYECD-LBPRGKRZSA-N 326.421 4.510 0 40 EJAB Cc1ccc(Cn2cc(C=O)c3cc(Br)ccc32)cc1 6814215 GHJWLOQODJBCSR-UHFFFAOYSA-N 328.209 4.573 0 40 EJAB Cc1cccc(NCc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)c1 8715532 MFFCKBRVPRAFRA-UHFFFAOYSA-N 347.443 4.572 0 40 EJAB Cc1ccc([C@H](N[C@@H](C)C(=O)Nc2ccc(C)c(F)c2)C2CC2)cc1 10351437 CSZYKZMDYFNJRB-YWZLYKJASA-N 340.442 4.510 0 40 EJAB O=C(O)Cc1csc(-c2ccc(Oc3ccc(Cl)cc3)cc2)n1 11961807 QYGZPIIKYHNMPF-UHFFFAOYSA-N 345.807 4.883 0 40 EJAB C[C@H](NC(=O)[C@@H](C)N(C)Cc1ccc2ccccc2c1)c1ccccc1 12767385 YZPQRRYNVAHOEH-ZWKOTPCHSA-N 346.474 4.538 0 40 EJAB Cc1cc(C)c(-c2csc(NC(=O)c3ccoc3C)n2)c(C)c1 12788656 CGRDJFHOMMKSCW-UHFFFAOYSA-N 326.421 4.889 0 40 EJAB Cc1ccc(NC(=O)CCc2c(C)nn(CC(C)C)c2C)c(Cl)c1 12915052 QTPOLNALNABMDD-UHFFFAOYSA-N 347.890 4.689 0 40 EJAB CCC(CC)NC(=O)c1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1 12971964 ZNUTVHQEWKRTPL-UHFFFAOYSA-N 349.434 4.630 0 40 EJAB Cc1cc(C)c2nc3c(cc2c1)CN(Cc1ccccc1)C[C@@H](C)O3 13562930 UKEPZOZSQMORDS-QGZVFWFLSA-N 332.447 4.635 0 40 EJAB C[C@H](NC(=O)Cc1noc2ccccc12)c1ccc(Cl)c(Cl)c1 14185044 GSBCKCZOQRXZMS-JTQLQIEISA-N 349.217 4.555 0 40 EJAB COc1ccc2[nH]c(C)c(CCNCc3cccc4ccccc34)c2c1 19848511 YJHVLCIPGSVBHL-UHFFFAOYSA-N 344.458 4.970 0 40 EJAB Cc1ccc([C@H]2CC(=O)c3cnn(-c4ccc(Cl)cc4)c3C2)cc1 20632747 WOGHTTZPJQJDLV-OAHLLOKOSA-N 336.822 4.747 0 40 EJAB O=C(CCc1ccc(-c2ccccc2F)o1)Nc1ccc(Cl)cn1 26861140 XIYBQWPKLHJTJN-UHFFFAOYSA-N 344.773 4.705 0 40 EJAB O=C(CCc1nc2ccccc2o1)Nc1ccc2c3c(cccc13)CC2 27247987 MGPXEUFWUOQQDE-UHFFFAOYSA-N 342.398 4.651 0 40 EJAB CC(C)c1noc([C@@H](C)Sc2nc3ccccc3n2C(F)F)n1 27814389 PQIHKIGDJWSXLD-SECBINFHSA-N 338.383 4.791 0 40 EJAB CCN(C(=O)CN[C@H](c1ccccc1)C(C)(C)C)c1ccccc1C 40155741 DBBUSWYGLFTDGJ-OAQYLSRUSA-N 338.495 4.725 0 40 EJAB CC(C)(C)OC(=O)N1CCC[C@H](Nc2cccc(C(F)(F)F)c2)C1 40448235 USNKDMFQLHTYBS-AWEZNQCLSA-N 344.377 4.517 0 40 EJAB CCCCOc1cccc(C(=O)Nc2ccc(C)c3ncccc23)c1 41156670 SLCWFKMDUUXTSK-UHFFFAOYSA-N 334.419 4.974 0 40 EJAB O=C(O)c1ccc2nc(NC3=Nc4cccc5cccc3c45)sc2c1 55116550 MRWITIIGKAFMPF-UHFFFAOYSA-N 345.383 4.652 0 40 EJAB O=C(Nc1ccc(Cl)cc1)N[C@@H](c1ccccc1)c1ccco1 58014497 MUSIUWFWPYAXBR-KRWDZBQOSA-N 326.783 4.844 0 40 EJAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N[C@H]1CCc2ccccc21 65474406 ZEOJTQRXOLIDOR-ZWKOTPCHSA-N 338.451 4.588 0 40 EJAB OC1=Nc2c(cnn2C2CCCC2)[C@@H](c2cccc(OC(F)F)c2)C1 71282938 UDXFGGOYANRGEE-CQSZACIVSA-N 347.365 4.723 0 40 EJAB CC(C)c1ocnc1C[S@](=O)Cc1cc(Cl)ccc1Cl 92251965 XPAWEVUILFJGRX-FQEVSTJZSA-N 332.252 4.554 0 40 EJAB CC1=NN(c2ccccc2)C(=O)[C@H]1Cc1ccc(Cl)cc1Cl 100998739 PYEMINPFIWISLB-HNNXBMFYSA-N 333.218 4.575 0 40 EJAB Cc1c(C(=O)CN2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c2ccccc2n1C 101116583 DWVYRXCRUOQLHN-ZHRRBRCNSA-N 338.495 4.570 0 40 EJAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCCSC1CCCCC1 222982658 JUCNNDIUGPHPAC-LJQANCHMSA-N 349.540 4.643 0 40 EJAB COc1cccc(NC(=O)Nc2ccc(OC3CCCC3)cc2)c1 225762973 YBOSDKPFZYJNSX-UHFFFAOYSA-N 326.396 4.661 0 40 EJAB O=C(CCc1ccccc1C(=O)O)Nc1ccccc1-c1ccccc1 540774054 DCTZKUXTCJHCOW-UHFFFAOYSA-N 345.398 4.623 0 40 EJAB CC(C)CN1C(=O)N(c2cccc3ccccc23)[C@@](C)(O)CC1(C)C 262610 CEUXGJHIPQYBHM-NRFANRHFSA-N 340.467 4.615 0 40 EJAB Cc1cccc(Nc2nc(N3CCc4ccccc43)ncc2F)c1C 1430712 WETZUAIKXUEFNA-UHFFFAOYSA-N 334.398 4.670 0 40 EJAB CC(C)(C)c1ccc2oc(=O)n(SC(Cl)(Cl)Cl)c2c1 1668484 OJYFRDUJOXBZCE-UHFFFAOYSA-N 340.659 4.716 0 40 EJAB CCC(=O)c1cc(Br)ccc1OCc1ccc(C)cc1 3256651 KVRKCWLZFNADSK-UHFFFAOYSA-N 333.225 4.929 0 40 EJAB O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCCC[C@@H]1c1cccnc1 4000504 QKORLSWPVRPZBR-GOSISDBHSA-N 339.826 4.584 0 40 EJAB biogenic CCC[C@@H]1OC[C@]2(COC(=O)c3ccccc3)[C@@H](C)[C@H]1C(C)=C[C@H]2C 4025810 NXYZFNXQKYPHHD-HYSHPYSWSA-N 342.479 4.877 0 40 EJAB COc1cccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)c1 6248371 IOPLTMOJYOFZIG-UHFFFAOYSA-N 331.415 4.538 0 40 EJAB COc1ccc(NC(=O)CCCc2c[nH]c3ccccc23)cc1Cl 6303199 AXZQCXUZQBSJGA-UHFFFAOYSA-N 342.826 4.791 0 40 EJAB CSc1ccc(Cl)c(C(=O)NCCc2ccc(Cl)cc2)c1 6840734 KXGKVSDSPJJKHP-UHFFFAOYSA-N 340.275 4.688 0 40 EJAB CN(Cc1ccccc1)Cc1ccc(C(=O)Nc2ccccc2)cc1 7016151 LUWVEUKSIXUUGA-UHFFFAOYSA-N 330.431 4.571 0 40 EJAB O=C(Nc1ccc(F)c(F)c1)c1ccc(COc2ccccc2)cc1 8129340 WXHLTOHNZYATKL-UHFFFAOYSA-N 339.341 4.796 0 40 EJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1SC 8478676 AWDHFEBXWLOYSB-OAHLLOKOSA-N 335.856 4.858 0 40 EJAB O=C(CSCc1ccc(Cl)cc1)N1CCCc2ccccc21 10449453 FLENTSOHLBFEOZ-UHFFFAOYSA-N 331.868 4.553 0 40 EJAB O=C(Nc1ccc2c(c1)OCCCO2)c1ccccc1-c1ccccc1 11723549 LPKAJWFHTUHEGI-UHFFFAOYSA-N 345.398 4.767 0 40 EJAB CCN(C(=O)Cc1cccc(F)c1)c1nc2cc(Cl)ccc2s1 12882281 SFHUMPNXVCXSJT-UHFFFAOYSA-N 348.830 4.684 0 40 EJAB CSc1ccc(CN(C)CN2C(=O)c3cccc4cccc2c34)cc1 13000046 IDXNDSGZAMAVFE-UHFFFAOYSA-N 348.471 4.611 0 40 EJAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1Cl 20452063 JVFRUEBHXDOAAC-OAHLLOKOSA-N 342.197 4.929 0 40 EJAB Cc1ccc([C@H](C)NC(=O)COc2cccc3ccccc23)c(C)c1 20456967 SAAPEWRDPNCWJE-KRWDZBQOSA-N 333.431 4.713 0 40 EJAB CC(C)Oc1cccc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)c1 20458182 VPMUFXGROZDVEJ-CYBMUJFWSA-N 333.815 4.533 0 40 EJAB O=C(Cn1c(-c2ccccc2)cc2ccccc21)Nc1ccc(O)cc1 20714541 DJLXQFDSTLAMQA-UHFFFAOYSA-N 342.398 4.653 0 40 EJAB Cc1cccc(OCCSCC(=O)Nc2cccc(Cl)c2C)c1 23412391 BGCYNFJAGSCLNJ-UHFFFAOYSA-N 349.883 4.708 0 40 EJAB Cc1ccc(-c2cc(C(=O)Nc3cc(Cl)ccc3C)no2)cc1 27664259 DWWNFRXDLFDXPN-UHFFFAOYSA-N 326.783 4.864 0 40 EJAB CCOc1ccc2nc(Nc3nc4ccc(C)cc4o3)sc2c1 57353016 RGRHXNXWIIVWSH-UHFFFAOYSA-N 325.393 4.888 0 40 EJAB Cc1cc([C@@H]2CCCN2C(=O)OCc2ccccc2)cnc1Cl 72217775 WLIMJSWDCLJYKR-INIZCTEOSA-N 330.815 4.517 0 40 EJAB O=C([C@@H]1CCC[C@H](C(F)(F)F)C1)N1CCCC[C@H]1c1nccs1 72285841 HIBVFONIZXZQGG-AGIUHOORSA-N 346.418 4.565 0 40 EJAB CC(C)N1CCC[C@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 72358408 XWOWUMJXYSIURX-HNNXBMFYSA-N 349.400 4.750 0 40 EJAB COc1ccc(-c2nc(Cl)cc(-c3ccc(F)cc3)n2)cc1OC 78401299 BZWRREGNYPDARB-UHFFFAOYSA-N 344.773 4.620 0 40 EJAB CCc1ccc([C@@H](C)NC(=O)[C@H](CC)Oc2cc(C)cc(C)c2)cc1 78458422 XUJGYJUPLKBZAS-UTKZUKDTSA-N 339.479 4.901 0 40 EJAB CCc1ccc(/C=C2\CN(C)C/C(=C\c3ccc(CC)cc3)C2O)cc1 95093709 OLLXKZAKKAXRMF-HOFJZWJUSA-N 347.502 4.585 0 40 EJAB FC(F)(F)c1cc(Br)cc2c1ncn2[C@H]1CCCCO1 95631102 ALDWWBLXLYZIPX-LLVKDONJSA-N 349.150 4.517 0 40 EJAB CC[C@@H](Nc1ccc(CN2CCCC2=O)cc1)c1ccc(F)cc1 96415082 KCHWJMDSZQJARM-LJQANCHMSA-N 326.415 4.511 0 40 EJAB C[C@@H](NC(=O)C1c2ccccc2-c2ccccc21)[C@H]1C[C@H]2CC[C@H]1C2 102347788 CRBVYEMBTIFLTN-FAPUVCABSA-N 331.459 4.740 0 40 EJAB CSC1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc(F)ccc2s1 206760369 HNRFHJAJGOITPK-PBWFPOADSA-N 335.469 4.539 0 40 EJAB Cc1ccc(C(=O)NCCSCc2ccccc2Cl)c(C)c1 223409965 ZASUEIPCJVENLW-UHFFFAOYSA-N 333.884 4.620 0 40 EJAB O=C(CSCc1c(Cl)cccc1Cl)NCC1CCCCC1 223444455 APFJABDZKABPBK-UHFFFAOYSA-N 346.323 4.923 0 40 EJAB Cc1cccc(OCCNC(=O)c2ccccc2SC(C)C)c1C 223950523 VEFBEJJBHLCBOR-UHFFFAOYSA-N 343.492 4.613 0 40 EJAB Cc1ccc(O[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)O)cc1C 225086272 OPFYURMURCAUHO-INIZCTEOSA-N 339.218 4.685 0 40 EJAB Cc1ccc(NC(=S)N[C@@H](c2ccccc2)c2cccc(C)c2)nc1 225701495 QMDDEUKGWASGET-FQEVSTJZSA-N 347.487 4.774 0 40 EJAB CCCCOc1ccc(NC(=O)[C@](C)(CC)OCC)c2cccnc12 225893593 ZCYMHAPDLMVNBA-FQEVSTJZSA-N 344.455 4.557 0 40 EJAB CN1[C@H](c2ccccc2)C[C@H](O)[C@@H](c2ccccc2)[C@H]1c1ccccc1 245380445 ZIIZMWKPNMCHTR-CJRSTVEYSA-N 343.470 4.949 0 40 EJAB CC(=O)c1sc2ccccc2c1OC(=O)c1ccccc1Cl 266477 WGSVRPILSQNVRX-UHFFFAOYSA-N 330.792 4.977 0 40 EJAB O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1ccc(Cl)cc1 1297916 HWCMRGBNHGQCFD-UHFFFAOYSA-N 349.777 4.796 0 40 EJAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C(=O)CC[C@H]32)C1 2159612 FDCINQSOYQUNKB-AHGXXGQGSA-N 332.484 4.530 0 40 EJAB biogenic Cc1cccc(-n2ncc3c(Nc4ccc(Cl)cc4)ncnc32)c1 2310410 ZVXAXIZRXDEXBB-UHFFFAOYSA-N 335.798 4.521 0 40 EJAB Cc1sc2ncnc(SCC(=O)c3ccccc3Cl)c2c1C 2623079 RCEMLUBESSIJSV-UHFFFAOYSA-N 348.880 4.937 0 40 EJAB CCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccc(C)c(C)c1)CO3 4000104 OYSUZSNZWNDRRN-UHFFFAOYSA-N 349.430 4.637 0 40 EJAB biogenic O=C(O)c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@H]1[C@H](c1ccccc1F)N2 4151497 YEKIJPBPCQBBIK-RMXLQIEMSA-N 337.394 4.820 0 40 EJAB Cc1nc(-c2ccccc2)sc1C(=O)NCCC1=CCCCC1 6764501 YRHPUBOTKCQGHB-UHFFFAOYSA-N 326.465 4.739 0 40 EJAB Cc1cc(CSc2nnc(-c3ccccc3)c3ccccc23)on1 10022552 OSTVSZVEJFFRHK-UHFFFAOYSA-N 333.416 4.886 0 40 EJAB c1ccc(C(Sc2nnc(NC3CC3)s2)c2ccccc2)cc1 12755941 VOWSRTQXLIJULT-UHFFFAOYSA-N 339.489 4.994 0 40 EJAB FC(F)Sc1ccc(-[n+]2cc(-c3ccccc3)n3c2CCC3)cc1 13496547 OBHBFVSATIULAJ-UHFFFAOYSA-N 343.422 4.693 0 40 EJAB O=C(Nc1ccc(F)c(F)c1)c1ccccc1OCc1ccccc1 13687305 OYBAZBRRHJGDPX-UHFFFAOYSA-N 339.341 4.796 0 40 EJAB Fc1ccc(NC(=S)Nc2ccc(Br)cc2F)cc1 13788475 DEDYDRZGIWSFAX-UHFFFAOYSA-N 343.196 4.536 0 40 EJAB CN(C(=O)/C=C/c1csc(-c2ccc(F)cc2)n1)c1ccccc1 16202805 NGZXMPWAHFFHTH-VAWYXSNFSA-N 338.407 4.625 0 40 EJAB Cc1c(C(=O)Nc2ccc(Cl)cc2)oc2c1C(=O)CC(C)(C)C2 16740283 MDROTEBRHNTSDV-UHFFFAOYSA-N 331.799 4.649 0 40 EJAB Cc1cccc(Nc2nn(-c3ccc(F)cc3)c3c2C(=O)C[C@@H](C)C3)c1 20672248 RADOSKWIUMIRLI-AWEZNQCLSA-N 349.409 4.828 0 40 EJAB CC(C)c1ccc(Nc2ncccc2C(=O)NCc2ccccc2)cc1 22071988 IVVFNWHHVIXGCB-UHFFFAOYSA-N 345.446 4.879 0 40 EJAB CCOc1cccc(NC(=O)[C@H](CC)Oc2ccccc2Cl)c1 22508783 YPKMYSBYEAKMLY-INIZCTEOSA-N 333.815 4.535 0 40 EJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H](CC)c1ccccc1 22513166 VKEBEGDJQWJNNA-WOJBJXKFSA-N 325.452 4.728 0 40 EJAB Cc1ccc(Cl)cc1NC(=O)c1cc(C)n(Cc2ccco2)c1C 23296452 WGYVVWCBUDFTRL-UHFFFAOYSA-N 342.826 4.960 0 40 EJAB CC[C@@H](NC(=O)CCc1ccccc1Cl)c1ccc(OC)cc1 29701905 IJMKSLBPKXAABI-GOSISDBHSA-N 331.843 4.549 0 40 EJAB CCC[C@H](NC(=O)c1ccc2nc(C)c(C)nc2c1)c1ccccc1 32741349 RKOPVNDOOYVFHT-SFHVURJKSA-N 333.435 4.518 0 40 EJAB COc1ccc2ccccc2c1/C=C1\N=C(c2ccc(C)cc2)OC1=O 33781788 DEPFMDFJOSMNAC-UYRXBGFRSA-N 343.382 4.501 0 40 EJAB Cc1ccc(-c2cc(C(F)F)nc(NCc3ccco3)n2)cc1C 36614144 YEAOXMVVHOUYQC-UHFFFAOYSA-N 329.350 4.903 0 40 EJAB C[C@H](NC(=O)Nc1ccccc1SC(F)F)c1cccs1 43552892 IJIZOGMIATXVFU-VIFPVBQESA-N 328.409 4.946 0 40 EJAB CCc1ccc2oc(-c3ccc(NC(=O)C(C)(C)C)cc3O)nc2c1 70462055 PZFGGGJFJQTRLH-UHFFFAOYSA-N 338.407 4.747 0 40 EJAB CC(C)(C)C(=O)Nc1ccc(-c2nc3cc(Cl)ccc3o2)c(O)c1 70462067 FLSFCZNTCMNYPP-UHFFFAOYSA-N 344.798 4.838 0 40 EJAB CCc1ccc([C@@H](C)NC(=O)COc2ccc(C(C)(C)C)cc2)cc1 78457851 SJFZXNXPNFYYHL-MRXNPFEDSA-N 339.479 4.803 0 40 EJAB COc1ccc(C2=NN3[C@@H](CC(C)C)Oc4ccccc4[C@H]3C2)cc1 102754887 PBZXUXBYDBXDLZ-TZIWHRDSSA-N 336.435 4.611 0 40 EJAB CC[C@H](NC(=O)c1ccccc1OC(C)C)c1ccc(C)c(C)c1 219745495 MYURZLCIVKQYNG-IBGZPJMESA-N 325.452 4.972 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)CSCc2ccccc2F)c(C)c1 222709523 LZHOKZNJGKZBRX-OAHLLOKOSA-N 331.456 4.553 0 40 EJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NC(C)(C)CC(C)(C)C 224621515 RSNCNJDTSCAMGG-OAHLLOKOSA-N 325.880 4.828 0 40 EJAB CCC[C@@H](C)NC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 224895274 HXGLMRUNJNBOPJ-OAHLLOKOSA-N 334.419 4.927 0 40 EJAB CCC1(CC)C[C@@H](NC(=O)c2ccc(F)cc2)c2ccccc2O1 224906657 ZIPOXIZZMRIPOV-QGZVFWFLSA-N 327.399 4.638 0 40 EJAB CCCOc1ccc(NC(=O)C2(OCCC)CCCCCC2)c(C)n1 225910147 KQSBQQACABCLRH-UHFFFAOYSA-N 348.487 4.637 0 40 EJAB C[C@H](CCc1ccccc1)NC(=O)/C(=C/c1ccco1)c1ccccc1 408574028 HKSDOYWBUXUIIW-YMNYDYPGSA-N 345.442 4.958 0 40 EJAB CCn1c(SC(=O)Cc2ccc(Cl)cc2)nc2ccccc21 408692670 RXOGAWCPANFQED-UHFFFAOYSA-N 330.840 4.571 0 40 EJAB Cc1cnc([C@@H]2CCCN(Cc3[nH]c4ccccc4c3Cl)C2)s1 2037849990 CUOPYKKHVGKRGL-CYBMUJFWSA-N 345.899 4.966 0 40 EJAB CC(C)c1ccc(NC(=O)CSc2nc3ccccc3o2)cc1 550825 MPVIQMPXCIVJBV-UHFFFAOYSA-N 326.421 4.682 0 40 EJAB Cc1c(-c2ccccc2)c2ccccc2n1CCc1ccc(C)[n+](C)c1 1300614 JEGBGKBZQRNQPQ-UHFFFAOYSA-N 341.478 4.992 0 40 EJAB O=S(=O)(CSc1ccc(Cl)cc1)c1ccc(Cl)cc1 1400283 IRBXEBMMQCXXDG-UHFFFAOYSA-N 333.261 4.517 0 40 EJAB O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1cccc(F)c1 4072666 PBKXJDWEUNAUGQ-UHFFFAOYSA-N 338.816 4.916 0 40 EJAB Cc1[nH]c2ccccc2c1[C@H]1[C@@H](CCNC(=O)c2ccco2)C1(C)C 5274537 RYNNDFMUPGRFQM-DNVCBOLYSA-N 336.435 4.629 0 40 EJAB CCCCN(CCCC)C[C@@H](O)c1ccc(C)c(Br)c1 5973433 KXKDEORXASPZRH-QGZVFWFLSA-N 342.321 4.693 0 40 EJAB Cc1ccc(-c2csc(NC(=O)[C@@H](C)Oc3ccccc3)n2)cc1 6341854 OWRWYFDHVXFHBU-CQSZACIVSA-N 338.432 4.525 0 40 EJAB CCCOc1c(Cl)cc(C(=O)Nc2ccccc2F)cc1OC 6636244 UCWKIKLWVOSBHY-UHFFFAOYSA-N 337.778 4.529 0 40 EJAB C[C@@H](NC(=S)Nc1ccc(F)cc1)c1ccc2c(c1)CCCC2 7970482 CHLZDGQUSYVHDQ-CYBMUJFWSA-N 328.456 4.752 0 40 EJAB O=C(Oc1ccccc1)N1CCC[C@H](c2nc3ccccc3s2)C1 7987947 WFAJDZMVRDYIGS-AWEZNQCLSA-N 338.432 4.675 0 40 EJAB Cc1ccc(C)c(-c2nnc(NC(=O)c3ccc(C(C)(C)C)cc3)o2)c1 9275105 KDDFJUJGONSCOI-UHFFFAOYSA-N 349.434 4.903 0 40 EJAB Cc1ccc(C)c(C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)c1 11071752 RDRJBFZPOBHFNV-UHFFFAOYSA-N 330.431 4.714 0 40 EJAB CC(C)C(=O)N1CCCCC[C@H]1c1cc(-c2ccc(F)cc2)on1 12185536 ABNGWNKVZLIDQG-KRWDZBQOSA-N 330.403 4.580 0 40 EJAB COc1cccc(CC(=O)Nc2nc3ccc4ccccc4c3s2)c1 12347818 WTEVHCZXNYDZFB-UHFFFAOYSA-N 348.427 4.639 0 40 EJAB Cc1ccc(S[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)c(C)c1 12475444 YIQBFASMPGVTKT-GOSISDBHSA-N 329.440 4.555 0 40 EJAB CCC[C@H](C)NC(=O)c1cccnc1Sc1ccc(Cl)cc1 12798718 NTPZYWJSHNVUGK-LBPRGKRZSA-N 334.872 4.805 0 40 EJAB Cc1cc2oc(=O)cc(CN3CCCc4ccccc43)c2cc1Cl 13070214 DBMVZXLNXWVDGH-UHFFFAOYSA-N 339.822 4.708 0 40 EJAB CC(C)(C)SCCNC(=O)c1ccccc1OCc1ccccc1 13687146 MGEHECXEYRKGKU-UHFFFAOYSA-N 343.492 4.527 0 40 EJAB C[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(Cl)cc1 13708279 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Cc1cc2[nH]c(Cc3ccc(Br)cc3)nc2cc1Cl 73638839 PAORVLUKXMXDRW-UHFFFAOYSA-N 335.632 4.878 0 40 EJAB CC[C@H](C)Sc1ccc(NC(=O)N[C@@H](C)c2ccon2)c(C)c1 96004123 QIWBKQIXOWNPLG-STQMWFEESA-N 333.457 4.756 0 40 EJAB Cc1ccc(-c2nn3c(-c4cc5ccccc5o4)nnc3s2)c(C)c1 96193781 HBGWPFVXVJKXEC-UHFFFAOYSA-N 346.415 4.883 0 40 EJAB CC(C)(C)c1ccc(C(=O)CCC(=O)Nc2ccc(F)cc2)cc1 96653395 GQNYRNHJMJJLAC-UHFFFAOYSA-N 327.399 4.725 0 40 EJAB CCCOc1ccc(C(=O)NCCSc2ccc(Cl)cc2)cc1 218980311 PGBPCVBMWOFWFI-UHFFFAOYSA-N 349.883 4.651 0 40 EJAB CC(C)c1ccccc1OCC(=O)NCc1cccc2ccccc12 222891477 XWMHXKUUSRYUBO-UHFFFAOYSA-N 333.431 4.658 0 40 EJAB CC[C@@H](Oc1ccc(C)cc1)C(=O)N[C@@H](C)c1cc(C)c(C)cc1C 223473129 HBECUWPNRDJHIR-GHTZIAJQSA-N 339.479 4.955 0 40 EJAB CCc1ccc(CC)c(CNC(=O)[C@H](C)Oc2ccc(C)c(C)c2)c1 225111200 QXYGYUVVFUGGTN-KRWDZBQOSA-N 339.479 4.512 0 40 EJAB Cc1ccc(CCC(=O)Nc2cccc(Br)c2)cc1C 225353648 XLKGFNFCTNNBSK-UHFFFAOYSA-N 332.241 4.637 0 40 EJAB CC(C)c1ccc(NC(=O)c2snnc2-c2ccc(F)cc2)cc1 225778078 BSLGBSCFISDYKW-UHFFFAOYSA-N 341.411 4.720 0 40 EJAB Cc1noc(C2CC2)c1NC(=O)N1CC2(CCCCC2)[C@H]1C(C)C 573211814 WLZXUMVLEXSMGN-QGZVFWFLSA-N 331.460 4.683 0 40 EJAB COc1ccc(/C=C2/c3cc(C)ccc3-c3ncccc32)cc1OC 48950 MQPYQCCDIKQJIK-XDHOZWIPSA-N 329.399 4.977 0 40 EJAB Cc1cccc(Cl)c1CNC(=O)C[C@@H](C)C(Cl)(Cl)Cl 165053 QJGBCHQEDVSZRC-SECBINFHSA-N 343.081 4.661 0 40 EJAB COc1ccccc1C(=O)Nc1ccc(Cl)cc1C(F)(F)F 363778 IATMWTJRFFPFRA-UHFFFAOYSA-N 329.705 4.620 0 40 EJAB Cc1cccc(-c2nnc(SCC(=O)c3ccc(Cl)cc3)o2)c1 411638 NUTADUVLVKXPIR-UHFFFAOYSA-N 344.823 4.673 0 40 EJAB Cc1cccc(-n2ncc3c(Nc4ccc(C)c(Cl)c4)ncnc32)c1 426397 IIPZMUYNNPIFBA-UHFFFAOYSA-N 349.825 4.829 0 40 EJAB CCCN1[C@H]2CCC[C@H]1CC(NC(=O)c1ccc(C(C)(C)C)cc1)C2 1369941 OFKUSYBRPXZRKU-PMACEKPBSA-N 342.527 4.509 0 40 EJAB c1ccc(-c2nccc(-c3ccc(-n4cnc5ccccc54)cc3)n2)nc1 1390329 AXHORYJGDBVDII-UHFFFAOYSA-N 349.397 4.545 0 40 EJAB CCN(C(=O)Oc1cccc(NC(=O)OC(C)C)c1)c1ccccc1 2582008 PWEOEHNGYFXZLI-UHFFFAOYSA-N 342.395 4.669 0 40 EJAB in-vitro COc1cccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@H]3[C@H]4CC[C@H](C4)[C@@H]32)c1 4622526 GAHFOJIJYCNZSE-DKPMNZTPSA-N 349.430 4.690 0 40 EJAB CCCc1sc(NC(=O)c2ccncc2)nc1-c1ccc(F)cc1 5952278 ONQVVQSFNURJNZ-UHFFFAOYSA-N 341.411 4.549 0 40 EJAB Cc1noc(C(C)C)c1C(=O)Nc1ccc(N2CCCCCC2)cc1 8146624 BCYNBTJCLHRLQB-UHFFFAOYSA-N 341.455 4.739 0 40 EJAB COc1ccc2nc(NC(=O)Nc3cccc(Cl)c3)sc2c1 8974636 YSSLVVFGCLMODW-UHFFFAOYSA-N 333.800 4.602 0 40 EJAB CCC(=O)Nc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1 9698600 AKKUEPGGCOVNCF-UHFFFAOYSA-N 337.206 4.594 0 40 EJAB Cc1c(C(=O)Nc2nc(-c3cccs3)ns2)oc2ccccc12 11914369 ZENGEKIRTGHBNF-UHFFFAOYSA-N 341.417 4.574 0 40 EJAB O=C(Nc1cccc(Cl)c1)c1cccc(OCc2cscn2)c1 12739838 SNODTAVBDQHWBG-UHFFFAOYSA-N 344.823 4.628 0 40 EJAB Cc1ccc(F)c(NC(=S)Nc2cccc(C(F)(F)F)c2)c1 13840290 HXLNVXGEAXHOGW-UHFFFAOYSA-N 328.334 4.962 0 40 EJAB Cc1cccc(NC(=O)c2ccc(OC(C)C)c(Br)c2)c1 14657979 CZNRPMXXGFNXIG-UHFFFAOYSA-N 348.240 4.797 0 40 EJAB CN(CCNc1cc(C(F)(F)F)nc2ccccc12)c1ccccc1 15590034 ZCRRDZBALCNDKE-UHFFFAOYSA-N 345.368 4.802 0 40 EJAB COc1ccc([C@@H](C)NC(=O)CCSc2ccc(Cl)cc2)cc1 20046417 AXHPJNZFZKIPEA-CYBMUJFWSA-N 349.883 4.708 0 40 EJAB CC[C@H](NC(=O)c1ccc(N2CCCCC2)cc1)c1ccc(C)cc1 20491065 IBMNBOBDCIUEEX-NRFANRHFSA-N 336.479 4.866 0 40 EJAB Cc1nn(C)c2sc(C(=O)Nc3ccc(Cl)cc3Cl)cc12 21969650 IAMKYRVBGGXUCC-UHFFFAOYSA-N 340.235 4.502 0 40 EJAB C[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@H]1CCCc2ccccc21 22515144 IZZGWODHWTYIQI-AOMKIAJQSA-N 345.442 4.801 0 40 EJAB COc1cccc(C(=O)Oc2ccc3c(-c4ccccc4)noc3c2)c1 32105021 PKKZVDUKDGSHAS-UHFFFAOYSA-N 345.354 4.723 0 40 EJAB COc1ccc2cc([C@@H](C)C(=O)NCc3sccc3C)ccc2c1 32800779 KVQUNMGOEROGAO-CQSZACIVSA-N 339.460 4.638 0 40 EJAB Cc1nc2c3ccccc3nc(S[C@@H](C)c3ccc(F)cc3)n2n1 32871531 ISURWEDSQLOMEI-NSHDSACASA-N 338.411 4.578 0 40 EJAB O=C1OC(c2ccc(Cl)cc2)=N/C1=C\c1c(O)ccc2ccccc12 33849109 NWSGWHIJSBTUSJ-BOPFTXTBSA-N 349.773 4.543 0 40 EJAB CCC(=O)c1ccc(OC(=O)c2nc(-c3cccs3)oc2C)cc1 40128613 IBPJVSNKKSVWPW-UHFFFAOYSA-N 341.388 4.523 0 40 EJAB C[C@H](NCc1cc2ccccc2[nH]c1=O)c1cccc2ccccc12 71857912 PDISLSVNNDHLII-HNNXBMFYSA-N 328.415 4.532 0 40 EJAB Cc1ccccc1CC1(Cc2ccccc2C)OC(=O)N2CCCC=C21 72233786 DWDOBKJJDPQOLR-UHFFFAOYSA-N 347.458 4.957 0 40 EJAB CC(C)[C@H]1SCC(O)=Nc2c1cnn2-c1ccc(Cl)cc1F 79484646 OUOVTRGMSQQPEQ-CQSZACIVSA-N 339.823 4.697 0 40 EJAB FC(F)(F)c1nc(N[C@H]2C[C@H]2c2ccccc2)c2ccccc2n1 84525475 BUWRPUDKFVOJAV-ZFWWWQNUSA-N 329.325 4.617 0 40 EJAB Cc1ccc(N2C(=O)N[C@H]3C[C@@]2(C)Oc2ccc(Cl)cc23)cc1C 102225802 XRCXRMBWMXFTPJ-QFBILLFUSA-N 342.826 4.726 0 40 EJAB Brc1ccc2c(c1)[C@@H]1OCC[C@@H]1[C@H](c1cccs1)N2 107175031 WUIPKVXSZJTSSV-VCTAVGKDSA-N 336.254 4.755 0 40 EJAB Brc1ccc(-c2ccc(/C=N\Nc3ccccn3)o2)cc1 136372413 DSXVUYSTVYFWCT-ODLFYWEKSA-N 342.196 4.550 0 40 EJAB CC[C@@H](NC(=O)CSCc1ccccc1F)c1ccc(C)c(C)c1 222712116 HFIWCLTZTLWGIB-LJQANCHMSA-N 345.483 4.943 0 40 EJAB CCCOCc1cc(C(=O)Nc2c(C)cccc2CC)ccc1OC 224412175 BYIYYNMVQWSQBF-UHFFFAOYSA-N 341.451 4.745 0 40 EJAB Cc1cc(C)cc(O[C@H](Cc2ccc(Cl)cc2Cl)C(=O)O)c1 225085523 WJRLGBMFANXBMW-MRXNPFEDSA-N 339.218 4.685 0 40 EJAB CC[C@@H](C)Oc1c(C)cc(NC(=O)C2(OC)CCCCC2)cc1C 225629691 RQXYPYAADZDSJS-MRXNPFEDSA-N 333.472 4.769 0 40 EJAB CC(C)Oc1ccc(NC(=O)C(Cl)(Cl)Cl)c2ccccc12 225784461 ICSJMJYJZXEFEC-UHFFFAOYSA-N 346.641 4.936 0 40 EJAB CCOc1ccc(NC(=O)c2ccc(-c3cccs3)o2)c(C)c1 544020528 OGCYIENVHHTXSN-UHFFFAOYSA-N 327.405 4.968 0 40 EJAB Cc1cccc(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)c1 363247 VKVXVCHJQFWHGM-UHFFFAOYSA-N 344.625 4.973 0 40 EJAB CC[C@H](C)c1ccc(OCC(=O)Nc2nc3ccccc3s2)cc1 505735 FNBAZNOYFPXBNG-ZDUSSCGKSA-N 340.448 4.827 0 40 EJAB CCC(=O)c1cn(CC(=O)Nc2ccccc2Cl)c2ccccc12 560777 HLUWQMJKTDWNMW-UHFFFAOYSA-N 340.810 4.526 0 40 EJAB O=c1c2cc(-c3ccccc3)sc2[nH]c(=S)n1-c1ccccc1 1098295 ZXUNSJWVCFTBMQ-UHFFFAOYSA-N 336.441 4.777 0 40 EJAB CC(C)c1cccc(C(C)C)c1NC(=O)CSc1nncs1 3413021 RTXFUCLCAWPSLJ-UHFFFAOYSA-N 335.498 4.516 0 40 EJAB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(F)c(Cl)c1 3565879 ZMGKLDPOSRVDMB-VIFPVBQESA-N 328.170 4.539 0 40 EJAB COc1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CCCC2)cc1 4133106 BHWPOVDAKWUESY-IBGZPJMESA-N 334.419 4.509 0 40 EJAB C[C@@]12Cc3cnoc3C=C1CC[C@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(C)O 4802415 NYIRPOUXYQWAQW-LANMLWSUSA-N 327.468 4.608 0 40 EJAB C[C@@H](Oc1ccc2c(c1)[nH]c1ccccc12)C(=O)Nc1ccccc1F 5498299 NKYOZGCIIBHXFE-CYBMUJFWSA-N 348.377 4.866 0 40 EJAB CCN(CC)CCOc1ccccc1/C=C\c1noc2ccccc12 5758991 XCCTZLPFLYIKIJ-YPKPFQOOSA-N 336.435 4.719 0 40 EJAB COc1cccc(-c2nc(-c3cc(OC)ccc3OC)cs2)c1 7643874 KIEIVOGGNYSQKG-UHFFFAOYSA-N 327.405 4.503 0 40 EJAB CC(C)(C)NC(=O)c1ccccc1NC(=O)Nc1cccc(Cl)c1 8556667 JUNNCLNJEXIUQU-UHFFFAOYSA-N 345.830 4.512 0 40 EJAB O=C(CN1CCC[C@@H]1c1ccccc1)Nc1cccc(Cl)c1Cl 10311215 OJPAJXXYEDPOSB-MRXNPFEDSA-N 349.261 4.769 0 40 EJAB O=C(Nc1ccc(F)cc1F)c1ccccc1OCc1ccccc1 13687175 OMZDZIZCDKMKFM-UHFFFAOYSA-N 339.341 4.796 0 40 EJAB O=C(NCc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1F 15425919 DWTLPRYTWZCDDL-UHFFFAOYSA-N 332.589 4.716 0 40 EJAB O=C(CCn1c(-c2ccccc2)cc2ccccc21)Nc1nccs1 20737970 CWFFOAUKJJHPIT-UHFFFAOYSA-N 347.443 4.794 0 40 EJAB CCn1c(C)cc(C(=O)CSC2=Nc3ccccc3CS2)c1C 21627598 GAPIZUCBXIWOHL-UHFFFAOYSA-N 344.505 4.975 0 40 EJAB Cc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccc(C)c(C)c2)cn1 25032705 QQWMBIGGUJHXOA-NRFANRHFSA-N 330.431 4.526 0 40 EJAB O=C(CSc1nccn1-c1ccc(Cl)cc1)c1ccccc1 26042215 WQBQVFXSWQMICO-UHFFFAOYSA-N 328.824 4.501 0 40 EJAB O=S(=O)(Nc1ccccc1SC1CCCC1)c1ccccc1 32094431 ZTMYNONEOGSGBB-UHFFFAOYSA-N 333.478 4.522 0 40 EJAB Cc1c(C(=O)Nc2cccc3nsnc23)oc2ccc(Cl)cc12 35672791 LQOFDVFZGPMIKM-UHFFFAOYSA-N 343.795 4.652 0 40 EJAB Cc1cc(C)n(-c2ccccc2NC(=O)c2ccc(Cl)cc2F)n1 36748344 MNYOZBPTMDRBOK-UHFFFAOYSA-N 343.789 4.534 0 40 EJAB CCc1cccc(CC)c1NC(=S)N[C@H]1CCc2ccccc2C1 57769439 CZIIJYJLDXEMQO-IBGZPJMESA-N 338.520 4.655 0 40 EJAB CN(Cc1nnc(-c2ccccc2)o1)Cc1ccc(Cl)cc1Cl 57794374 KDFFIOGXKGCGJD-UHFFFAOYSA-N 348.233 4.675 0 40 EJAB O=C(/C=C/c1ccc(OCc2ccccc2)cc1)Nc1ccc(O)cc1 60481377 YDKCNBMZHCAKPQ-OVCLIPMQSA-N 345.398 4.623 0 40 EJAB O=C(CCCc1nc2ccccc2s1)Nc1ccc2ncccc2c1 60788250 GSPGTXROADNPPS-UHFFFAOYSA-N 347.443 4.806 0 40 EJAB C[C@@H](Oc1ccccc1Cl)C(=O)NCc1cccc2ccccc12 222865553 WTWHSFSCZPGOQA-CQSZACIVSA-N 339.822 4.577 0 40 EJAB CCCCOCc1cc(C(=O)Nc2cc(C)cc(C)c2)ccc1OC 224435740 SYZMGTRPBSCJKO-UHFFFAOYSA-N 341.451 4.881 0 40 EJAB CCC1(NC(=S)Nc2ccc(Br)cc2F)CCCC1 225861137 BFPIDLNYOITGMU-UHFFFAOYSA-N 345.281 4.597 0 40 EJAB Cc1cc(N)c(NC(=O)CSc2ccc(Cl)cc2)cc1Cl 226359586 DOHKAWWASSBEFJ-UHFFFAOYSA-N 341.263 4.615 0 40 EJAB O=C(NCc1ccc(F)cc1)N[C@H](c1ccsc1)c1cccs1 390831444 RWBHWCRUEJBPHP-MRXNPFEDSA-N 346.452 4.538 0 40 EJAB COc1ccccc1[C@@H]1Nc2ccc(C)cc2[C@H](OC(C)=O)C1(C)C 806063 WTDLANROZLFVCV-PMACEKPBSA-N 339.435 4.801 0 40 EJAB CN(C)c1ccc(-n2c(-c3ccccc3)nnc2-c2ccccc2)cc1 1278336 DTMZLCNQKQPKHH-UHFFFAOYSA-N 340.430 4.667 0 40 EJAB Cc1c(-c2ccc(Br)cc2)c(=O)oc2ccc(F)cc12 2243267 GRJFZUYFCWOEEK-UHFFFAOYSA-N 333.156 4.670 0 40 EJAB CC(C)CCN1NC2(CCCCCCCCCCC2)NC1=S 3636043 SEFCXMISUMCWNG-UHFFFAOYSA-N 325.566 4.728 0 40 EJAB COc1ccc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)O)cc1 3885013 AMSBESPIMWAFGZ-FYWRMAATSA-N 345.398 4.819 0 40 EJAB C[C@@H]1CC2=C(C[C@@H]1[C@@H]1OC[C@H](CN3CCCCC3)O1)C(C)(C)CCC2 4005769 GWNYATQURCVOGA-BOFXEDATSA-N 347.543 4.767 0 40 EJAB biogenic Cc1nc2ccccc2n1C(=O)c1sc2ccccc2c1Cl 4066911 AHOVTHBLMBXIDP-UHFFFAOYSA-N 326.808 4.901 0 40 EJAB Cc1ccc(-c2csc(NC(=O)c3c(F)cccc3F)n2)c(C)c1 4071277 YKPKTXDOLNYCBS-UHFFFAOYSA-N 344.386 4.957 0 40 EJAB Cc1ccc(/C=C/c2nn3c(-c4ccoc4C)nnc3s2)cc1C 5032094 VMBXAZYTQIBFKI-VOTSOKGWSA-N 336.420 4.541 0 40 EJAB O=C(Nc1sc2ccccc2c(=O)c1-c1ccccc1)c1ccco1 5323454 DPUKSTWLNLJUBW-UHFFFAOYSA-N 347.395 4.774 0 40 EJAB Cc1cccc(N2C(=O)S/C(=C\C=C\c3ccco3)C2=O)c1C 5552762 XDFQYAYLGOSOFN-RMASLCFXSA-N 325.389 4.694 0 40 EJAB Cc1ccccc1OCCn1cc(C(=O)C(F)(F)F)c2ccccc21 6969300 YBZUEOMUVKMQOB-UHFFFAOYSA-N 347.336 4.774 0 40 EJAB Cc1ccc(-c2csc3ncnc(SC[C@@H]4CCCO4)c23)cc1 7540169 HRKQDLVWBIBUTG-AWEZNQCLSA-N 342.489 4.938 0 40 EJAB c1coc(-c2nnc(SCc3csc(-c4ccsc4)n3)o2)c1 7726484 KDAUCYPQUYFGQT-UHFFFAOYSA-N 347.446 4.807 0 40 EJAB CCCCCNC(=O)c1cccnc1Sc1ccccc1Cl 7780243 ODRYVYIVDFINTE-UHFFFAOYSA-N 334.872 4.806 0 40 EJAB Cc1ccc(N(CC(=O)c2cccs2)C2=NCCCCC2)cc1 8411771 CIRICNRVWVZJFD-UHFFFAOYSA-N 326.465 4.718 0 40 EJAB O=C(c1ccc(Cl)cc1)N1CCC(c2nc3ccccc3o2)CC1 8673429 AKUWHSZRKDYTKV-UHFFFAOYSA-N 340.810 4.501 0 40 EJAB Cc1ccc(N2C(=O)N([C@@H](C)c3ccccc3Cl)C(=O)[C@@H]2C)cc1 9545113 QJPZXIPWDTXSSX-KBPBESRZSA-N 342.826 4.567 0 40 EJAB COc1ccc(Cl)cc1-c1nnc(Nc2ccc(Cl)cc2)[nH]1 11114797 MYIQPVUHPXDVAE-UHFFFAOYSA-N 335.194 4.531 0 40 EJAB Cc1ccc(-c2cc(NC(=O)c3ccc(OC(C)C)cc3)on2)cc1 11914822 HGZYLUSZPQBRGF-UHFFFAOYSA-N 336.391 4.690 0 40 EJAB Fc1ccc(-n2cc(C3CCNCC3)c3cc(Cl)ccc32)cc1 13452441 YCXCLZSLZGBCTA-UHFFFAOYSA-N 328.818 4.890 0 40 EJAB C[C@@H](Oc1cccc2ccccc12)C(=O)Nc1cccc(Cl)c1 13708884 AERLLULGFQLOSN-CYBMUJFWSA-N 325.795 4.899 0 40 EJAB COC(=O)c1c(NC(=O)c2cc3ccccc3s2)sc(C)c1C 18119082 ULWZNEJQOVOFHO-UHFFFAOYSA-N 345.445 4.619 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)CSCc2ccccc2C)c(C)c1 19932142 VULOXYCALIMHJF-QGZVFWFLSA-N 327.493 4.722 0 40 EJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)c1ccc(F)cc1 20038655 NENOTJAKBDUDPM-PXAZEXFGSA-N 335.806 4.514 0 40 EJAB Cc1ccc([C@@H](Nc2ccc(C(C)(C)C)cc2)P(=O)(O)O)cc1 24769690 FSSYHJFBZGETBD-KRWDZBQOSA-N 333.368 4.581 0 40 EJAB Cc1cc(C)c2nc(-c3cccs3)cc(C(=O)Nc3ccon3)c2c1 27976947 AJEGUCNGAVLBOM-UHFFFAOYSA-N 349.415 4.820 0 40 EJAB Cc1ccc(NC(=O)c2ccc(Br)s2)c2cccnc12 31093445 NQEPEPQVRHPPEH-UHFFFAOYSA-N 347.237 4.620 0 40 EJAB O=C(CCC(=O)c1cccs1)N[C@@H](c1cccs1)C1CCCC1 32398362 VFWQTNGFMZDJAT-GOSISDBHSA-N 347.505 4.820 0 40 EJAB c1ccc(COc2cccc3[nH]c(COc4ccccc4)nc23)cc1 44699765 MRKQSFVVLXJQEL-UHFFFAOYSA-N 330.387 4.721 0 40 EJAB in-vitro CC[C@@H](Oc1cccc2ccccc12)C(=O)N(C)Cc1ccc(C)cc1 44902709 WGVJGXHQJYUXLA-OAQYLSRUSA-N 347.458 4.964 0 40 EJAB OC1=NC(=S)S/C1=C/c1cccc(OCc2ccc(F)cc2)c1 59224905 WZFMOBHNKNWWIT-OQLLNIDSSA-N 345.420 4.734 0 40 EJAB CC[C@H](NCc1ccc2ccccc2c1)c1ccc2c(c1)OCCO2 84734189 VKXWONRIICWBHO-FQEVSTJZSA-N 333.431 4.852 0 40 EJAB CC[C@@H](C)c1ccc(NC(=O)COC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)cc1 102151297 PMFSHDFIRODOCD-MXSMSXNCSA-N 343.467 4.508 0 40 EJAB O=C(Cc1ccccc1Cl)N1CCS[C@@H](c2ccccc2)CC1 208040678 KYWCHMGRRPGELH-GOSISDBHSA-N 345.895 4.589 0 40 EJAB C[C@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 222940293 VFAAXGKVMIUDBG-AWEZNQCLSA-N 327.855 4.639 0 40 EJAB CC(C)c1ccc(OCC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)cc1 223207025 XMKZSFVZTRQLID-INIZCTEOSA-N 337.463 4.555 0 40 EJAB O=C(Cc1cccc(Cl)c1)Nc1ccc(OC2CCCC2)cc1 223400582 ZKGLUYJVRWRHMF-UHFFFAOYSA-N 329.827 4.843 0 40 EJAB Cc1ccc(OCCNC(=O)c2ccc(-c3ccccc3)cc2)cc1C 223445976 HZGVQEAZZVJBKS-UHFFFAOYSA-N 345.442 4.779 0 40 EJAB CC(C)c1ccc(NC(=S)NCCCc2ccc(F)cc2)cc1 225546218 PZDVVLDMFVGGLE-UHFFFAOYSA-N 330.472 4.868 0 40 EJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NC(C)(C)Cc1ccccc1 225595239 BXRNZPQIJLYNPY-IBGZPJMESA-N 339.479 4.598 0 40 EJAB CCCCOc1c(C)cc(NC(=O)C2(OC)CCCCC2)cc1C 225629640 RTFICPXFDSVXBI-UHFFFAOYSA-N 333.472 4.770 0 40 EJAB CCc1cc(Br)cc(C)c1NC(=O)c1ccc(F)cc1 226097402 PMXJWJZCMBYLOW-UHFFFAOYSA-N 336.204 4.711 0 40 EJAB Nc1ccc(N2CCCCC2)c(NC(=O)c2cccc3ccccc23)c1 226253912 XLDJCFRDLKUDFV-UHFFFAOYSA-N 345.446 4.665 0 40 EJAB Cc1cc(N)cc(Cl)c1NC(=O)c1ccc(-c2ccccc2F)o1 226756044 OTMZEJWJDJAJJM-UHFFFAOYSA-N 344.773 4.882 0 40 EJAB CCOc1ccc(CC(=O)N2CCCC[C@H]2CSC(C)(C)C)cc1 390830001 IAZDTRHZCANIML-KRWDZBQOSA-N 349.540 4.541 0 40 EJAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 490951 FDCINQSOYQUNKB-XVYLQWLCSA-N 332.484 4.530 0 40 EJAB biogenic,in-vitro O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc2c(c1)OCO2 568339 CCJJMMMPEASMKK-UHFFFAOYSA-N 344.581 4.628 0 40 EJAB Cc1ccc(SCCC(=O)NCCSC2CCCCC2)cc1 2179483 NMHMRGOGQOLCBV-UHFFFAOYSA-N 337.554 4.659 0 40 EJAB Cc1ccc(NC(=S)N2CCC[C@@H](C(F)(F)F)C2)cc1Cl 3331094 MRERGKMBAODNCI-SNVBAGLBSA-N 336.810 4.620 0 40 EJAB Cc1ccc(Nc2nnc(S[C@H]3CCCCC3=O)s2)c(C)c1 3338737 FPUYSDXPWZGLGG-AWEZNQCLSA-N 333.482 4.502 0 40 EJAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N[C@H](C)CCCC(C)C 3449342 OWGOJWGYZXCZMV-CQSZACIVSA-N 347.890 4.779 0 40 EJAB CC[C@@H](O)c1nc2ccccc2n1CCCOc1cccc(C)c1C 7548857 RGMWNJXJOKPUSZ-LJQANCHMSA-N 338.451 4.566 0 40 EJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cccc2cccnc12 7671345 LZDHVLHNSQSUFU-UHFFFAOYSA-N 340.810 4.684 0 40 EJAB O=C1OC(/C=C\c2ccccc2)=N/C1=C\c1c(O)ccc2ccccc12 8642193 OPPMZBLNYSANML-XCWBZETHSA-N 341.366 4.555 0 40 EJAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2ccc(C)cc2C)c1C 8851557 KUFHQLPGOJYLHZ-HNNXBMFYSA-N 329.465 4.814 0 40 EJAB Cc1cccc(NC(=O)N2CCC(CCc3ccc(O)cc3)CC2)c1 10383195 LPUKWYUNBSDSMU-UHFFFAOYSA-N 338.451 4.577 0 40 EJAB Cc1ccc2c(CC(=O)OCc3cccc4cccnc34)coc2c1C 11200875 UGAUHTPOIOBXFT-UHFFFAOYSA-N 345.398 4.884 0 40 EJAB Cc1cc(NC(=O)c2ccc(-c3c(Cl)cccc3Cl)o2)no1 11666557 DLGNZCNSSUREQA-UHFFFAOYSA-N 337.162 4.802 0 40 EJAB Cc1cccc(-n2ncc(C(=O)Nc3ccc(C)cc3Cl)c2C)c1 12858042 ATEWOVMQHYEGBI-UHFFFAOYSA-N 339.826 4.703 0 40 EJAB COc1cc(C)c(NCc2cc3ccccc3[nH]c2=O)cc1C(C)C 13561307 QCXUBSSQVSSDPP-UHFFFAOYSA-N 336.435 4.581 0 40 EJAB COc1ccc(CC(=O)Nc2ccccc2Oc2ccccc2)cc1C 13972049 KQJNCEVHDBIQES-UHFFFAOYSA-N 347.414 4.977 0 40 EJAB O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccc(F)c(F)c1 14246361 UNOAIXOFXUQNFJ-UHFFFAOYSA-N 345.345 4.649 0 40 EJAB Cc1ccc(NC(=O)c2cc(Cl)ccc2F)c(Br)c1 15584474 OOAIZEKECUMKMW-UHFFFAOYSA-N 342.595 4.802 0 40 EJAB Cc1ccc(-c2ccc(/C=C/C(=O)NCc3ccco3)o2)cc1Cl 17071484 WMIBGLWGCZLKQG-VQHVLOKHSA-N 341.794 4.831 0 40 EJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N1c2ccccc2C[C@@H]1C 20490076 COOUOLQAVKIERJ-AOMKIAJQSA-N 345.442 4.975 0 40 EJAB Cc1ccc(C)c([C@@H](C)NC(=O)CSCc2ccc(F)cc2)c1 20492498 VSDXVHTZOCPNBP-OAHLLOKOSA-N 331.456 4.553 0 40 EJAB Cc1ccccc1O[C@H](C)C(=O)NC(c1ccccc1)c1ccccc1 20493388 LEBZIDKUBSSMCU-GOSISDBHSA-N 345.442 4.668 0 40 EJAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(F)c(F)c1 28210801 ZHEVNKWEVSTFLV-UHFFFAOYSA-N 335.659 4.889 0 40 EJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCSC1CCCCC1 30866971 HDWBGAFNIYHMMZ-LJQANCHMSA-N 349.540 4.643 0 40 EJAB Cn1c(-c2ccccc2)c([C@H](CN)c2ccccc2)c2ccccc21 32928679 BGDWZIGPBIVRST-HXUWFJFHSA-N 326.443 4.936 0 40 EJAB Cc1ccccc1N1C(=O)/C(=C/c2ccsc2)c2ccccc2C1=O 33462663 QNIQTEAAGZGZPO-LDADJPATSA-N 345.423 4.784 0 40 EJAB CN(Cc1cccc(Cl)c1)C(=O)Nc1ccc(OC(F)F)cc1 40103183 JBCGUHHGSBDDHF-UHFFFAOYSA-N 340.757 4.605 0 40 EJAB Cc1ccccc1-c1cc(-c2nc(-c3ccc(Cl)cc3)no2)[nH]n1 46914365 ZIDKMAHOFNAFFL-UHFFFAOYSA-N 336.782 4.756 0 40 EJAB CCCCOC(=O)c1ccc(NC(=O)Nc2cccc(F)c2C)cc1 51354521 WXZOFUOMITVORZ-UHFFFAOYSA-N 344.386 4.735 0 40 EJAB Cc1c(F)cccc1NC(=S)Nc1cccc(CN2CCCC2)c1 71325984 ISKXLBFEGLQPHG-UHFFFAOYSA-N 343.471 4.539 0 40 EJAB Cc1nc(SCc2cn3ccccc3n2)n(C2CCCCC2)c1C 71798084 HENBZPQOYSGUKL-UHFFFAOYSA-N 340.496 4.945 0 40 EJAB O=C(Oc1cccc(Oc2cccnc2)c1)[C@H]1C[C@@H]1c1ccc(F)cc1 95456217 GNTSXVPOIINLJO-UXHICEINSA-N 349.361 4.722 0 40 EJAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1cccc2[nH]ccc12 95472489 PRVQUABQFBQVJZ-UHFFFAOYSA-N 333.416 4.852 0 40 EJAB Cc1cc(Cl)ncc1NC(=O)c1occc1-c1ccc(F)cc1 133524300 ASGNKPLLIXXRON-UHFFFAOYSA-N 330.746 4.695 0 40 EJAB CC[C@@H](NC(=O)c1ccc(OC(C)C)cc1)c1ccc(C)c(C)c1 218985302 AFHMMILXZHPFHI-HXUWFJFHSA-N 325.452 4.972 0 40 EJAB Cc1ccccc1O[C@@H](C)C(=O)Nc1ccc(OC2CCCC2)cc1 219288151 HPXFCDYKSFHWSC-INIZCTEOSA-N 339.435 4.722 0 40 EJAB CC[C@H](NC(=O)CSCc1cccc(C)c1)c1ccc(C)cc1 222743901 KVHMMEREKGCLOO-IBGZPJMESA-N 327.493 4.804 0 40 EJAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(OC)cc1 222906907 BJBWOCVDOJWWBN-LJQANCHMSA-N 341.451 4.789 0 40 EJAB Cc1ccccc1O[C@@H](C)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 222967553 WVNVUZSQMRVXBZ-SJORKVTESA-N 337.463 4.519 0 40 EJAB C[C@@H]1CC(C)(C)N(Cc2ccc(C(=O)O)o2)c2ccc(Cl)cc21 223233553 XADDXUNPAGKNCN-LLVKDONJSA-N 333.815 4.924 0 40 EJAB Cc1cc(C)c([C@@H](C)NC(=O)COc2ccc(C(C)C)cc2)cc1C 223451993 CIKSIMUJSYRGFV-GOSISDBHSA-N 339.479 4.991 0 40 EJAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCSC1CCCC1 224591846 NODTZXHEOXYFCI-GFCCVEGCSA-N 343.945 4.613 0 40 EJAB CCOCc1cc(C(=O)Nc2cccc(Cl)c2)ccc1OCC 224694695 CVISEPGNGRGGJL-UHFFFAOYSA-N 333.815 4.528 0 40 EJAB CCCOc1ccc(NC(=O)[C@@](C)(OCCC)C2CC2)cc1Cl 225674967 KCFHDXXLSOBIDO-SFHVURJKSA-N 339.863 4.663 0 40 EJAB CCc1ccc([C@@H](C)NC(=O)CCSCc2ccccc2)cc1 225716323 GBMZMCKMLZKZCU-MRXNPFEDSA-N 327.493 4.750 0 40 EJAB CC(=O)Oc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 408978078 YAILCUGJLULOFN-UHFFFAOYSA-N 340.382 4.889 0 40 EJAB O=c1cc(CSCc2ccccc2Cl)c2ccc(O)cc2o1 1652774021 AYCPXTFNTUEPOA-UHFFFAOYSA-N 332.808 4.585 0 40 EJAB Cc1ccc(C(=O)Nc2ccc3c(c2)ncn3-c2ccccc2)cc1 103967 AVUNVYQMZXIHDP-UHFFFAOYSA-N 327.387 4.586 0 40 EJAB Cc1ccc(CNC(=O)C2c3ccccc3Oc3ccccc32)cc1 182642 OALHCRBYIUYDHE-UHFFFAOYSA-N 329.399 4.549 0 40 EJAB COc1nc(-c2ccccc2)ccc1-c1noc(-c2cccc(C)c2)n1 498599 CMMVGQMHZHIRCG-UHFFFAOYSA-N 343.386 4.783 0 40 EJAB Fc1ccc(Cn2c(COc3ccccc3)nc3ccccc32)cc1 1075520 VDSOLMTWWOWELA-UHFFFAOYSA-N 332.378 4.803 0 40 EJAB Cc1ccc(S[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)cc1C 2641303 SVQZOIFGMATRHM-HOTGVXAUSA-N 325.477 4.762 0 40 EJAB O=C1S/C(=C\c2cccc3ccccc23)C(=O)N1c1cccc(O)c1 5376243 JJIDLIXZVVZSSD-WQRHYEAKSA-N 347.395 4.786 0 40 EJAB Cc1onc(-c2ccccc2)c1C(=O)OCc1c(F)cccc1Cl 6628233 OOHFBBXRJUMUTD-UHFFFAOYSA-N 345.757 4.800 0 40 EJAB CSc1ccc(-c2nc3cnccn3c2NC2CCCCC2)cc1 8019294 HQUJMXZSWOIGFN-UHFFFAOYSA-N 338.480 4.863 0 40 EJAB COc1ccc(CCNCc2ccccc2OCc2ccccc2)cc1 8474535 JGURBOOQJPVJMU-UHFFFAOYSA-N 347.458 4.607 0 40 EJAB Oc1cc(CSc2ccc(Cl)cc2)nc2nc3ccccc3n12 9059958 BNAHMIFIMJXNMI-UHFFFAOYSA-N 341.823 4.534 0 40 EJAB Cc1cc(C)cc(OCC(=O)Nc2nc3c(C)cc(C)cc3s2)c1 9141267 CZSXGGTUAQUHFJ-UHFFFAOYSA-N 340.448 4.547 0 40 EJAB Cc1onc(-c2ccccc2)c1C(=O)N(C)Cc1cccc(Cl)c1 15989900 FZMJEWUUFUIPOW-UHFFFAOYSA-N 340.810 4.576 0 40 EJAB COc1ccc2c3c(cc(OC)c2c1)[C@H]1CC[C@H](C(C)=O)[C@@]1(C)CC3 17355326 JAAOEGCBXVGVLL-KCZVDYSFSA-N 338.447 4.892 0 40 EJAB Cc1ccccc1Nc1nn(-c2ccccc2)c2c1C(=O)C[C@@H](C)C2 20671973 YVNVOYCEYHJSHN-AWEZNQCLSA-N 331.419 4.689 0 40 EJAB O=C(c1ccco1)N(Cc1cccc2ccccc12)c1ccccn1 27662933 MTRPYMXGMUOVIP-UHFFFAOYSA-N 328.371 4.675 0 40 EJAB Cc1ccc(CSc2nnc(Cc3ccc(Cl)cc3)o2)cc1 33740372 HBRQSONMYOOHHX-UHFFFAOYSA-N 330.840 4.915 0 40 EJAB O=C(Nc1ccccc1Cl)c1cc(-c2ccc(Cl)cc2)on1 37133202 HUFBWOFUYODVIT-UHFFFAOYSA-N 333.174 4.901 0 40 EJAB Cc1ccc2nc(C(=O)N3CCCC3)cc(Nc3ccc(F)cc3)c2c1 49002997 HPLGNUPFLMFXOV-UHFFFAOYSA-N 349.409 4.662 0 40 EJAB Cc1ccc(O[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1 64982993 BBCDLFSPXLUUBH-ZDUSSCGKSA-N 337.341 4.728 0 40 EJAB Cc1ccc(C2=Nc3cc(C(=O)O)ccc3N(c3ccccc3)C2)cc1 70503641 CXCKTBFRLSEMLY-UHFFFAOYSA-N 342.398 4.966 0 40 EJAB CCCCN1CCC[C@H]1c1cccnc1N(CC)C(=O)OC(C)(C)C 72214804 UQSBIEQAUXXFJN-KRWDZBQOSA-N 347.503 4.780 0 40 EJAB COc1ccccc1NC(=S)N1CCC[C@H]1c1ccccc1Cl 83982599 URBNCTGPUMBAPJ-INIZCTEOSA-N 346.883 4.883 0 40 EJAB C[C@@H](Nc1ncnc2ccc(F)cc12)c1ncc(-c2ccccc2)o1 92656505 ONTLVCDINNZMOI-GFCCVEGCSA-N 334.354 4.597 0 40 EJAB O[C@@H](c1cc(Cl)cc(Cl)c1)c1cccc(Br)c1 95730211 BQBGQMAXAMYKGD-CYBMUJFWSA-N 332.024 4.838 0 40 EJAB O=C(O)CC/C(=C\c1csc(C2CC2)n1)c1nc2ccccc2o1 96296779 CFNCRJHFACKQAJ-FMIVXFBMSA-N 340.404 4.567 0 40 EJAB Cc1cc(Cl)ncc1NC(=O)c1cc(-c2ccc(Cl)cc2)on1 135905739 BXNZEOFEUOAXSP-UHFFFAOYSA-N 348.189 4.604 0 40 EJAB Cc1ccc2oc(C(=O)Nc3scnc3-c3ccccc3)cc2n1 171556513 JQJFWEMSCZRQRC-UHFFFAOYSA-N 335.388 4.512 0 40 EJAB CCOc1ccc(NC(=O)CCc2ccc(Cl)c(Cl)c2)cc1 225322118 GNGCOAVZPLPXGS-UHFFFAOYSA-N 338.234 4.963 0 40 EJAB Cc1cccc(NC(=S)N[C@H](c2ccccc2)c2ccccc2C)n1 225507665 RZQOGVNUKJNQPD-HXUWFJFHSA-N 347.487 4.774 0 40 EJAB Fc1cccc(Cl)c1-c1nc2cccnc2n1Cc1ccccc1 539619731 QCAZNXGIDNCWFY-UHFFFAOYSA-N 337.785 4.939 0 40 EJAB Cn1c(-c2nc3ccccc3nc2-c2ccccc2)nc2ccccc21 533715 NJTURBBDEBEBOF-UHFFFAOYSA-N 336.398 4.851 0 40 EJAB COc1ccc(CNCC[C@H](C(C)C)[C@H]2CCOC(C)(C)C2)cc1 2157196 FGCOYXVIXSZYRW-AZUAARDMSA-N 333.516 4.652 0 40 EJAB biogenic CCN(CC)c1ccc2cc(-c3cccc(Cl)c3)c(=O)oc2c1 2510884 JTNQZUHAKVTVLK-UHFFFAOYSA-N 327.811 4.960 0 40 EJAB biogenic O=C(c1ccc(Br)cc1)c1ccc(OC(F)(F)F)cc1 2530980 BXPDDFIILBUHCI-UHFFFAOYSA-N 345.114 4.579 0 40 EJAB Cc1cc(C)c(C(=O)COC(=O)/C=C/c2cccc(Cl)c2)cc1C 2631986 COGRRGPJYACXHZ-BQYQJAHWSA-N 342.822 4.705 0 40 EJAB Cc1cccc2sc(NC(=O)COc3ccc4ccccc4c3)nc12 3558938 OUGVHMUQMIDOGA-UHFFFAOYSA-N 348.427 4.775 0 40 EJAB Cc1cc(C)c2sc(NC(=O)c3ccc(OC(C)C)cc3)nc2c1 4331423 LHAOGORNDDSUKL-UHFFFAOYSA-N 340.448 4.953 0 40 EJAB Cc1ccc(Nc2ncc3c(n2)C[C@H](c2ccc(F)cc2)CC3=O)cc1 5516429 CLSZSJFNMSPSQA-HNNXBMFYSA-N 347.393 4.580 0 40 EJAB COC(=O)c1cn(CCOc2cccc3ccccc23)c2ccccc12 6950829 MMMLXEKGUKIDFL-UHFFFAOYSA-N 345.398 4.660 0 40 EJAB O=C(Nc1cccc(Cl)c1)N1CCC[C@H]1c1nc2ccccc2[nH]1 9365215 WOCSCTVVVSHYFW-INIZCTEOSA-N 340.814 4.585 0 40 EJAB COc1ccc2cc(C(=O)Nc3ccc(Cl)cc3C)c(C)nc2c1 10406546 SGPQXIGCXAMVAJ-UHFFFAOYSA-N 340.810 4.766 0 40 EJAB CCCC(=O)Nc1nc(-c2ccc(OC)c3ccccc23)cs1 11448994 ZBHIMGFWEBVSQD-UHFFFAOYSA-N 326.421 4.711 0 40 EJAB CN(Cc1ccc2ccccc2c1)C(=O)COc1cccc(Cl)c1 12795708 NOFBUPOIEKZHGW-UHFFFAOYSA-N 339.822 4.531 0 40 EJAB O=C(/C=C/c1ccccc1F)Oc1ccc(C(=O)c2ccccc2)cc1 13141612 ORVZHUOIOFQIRV-NTCAYCPXSA-N 346.357 4.676 0 40 EJAB O=C(Nc1ccc(F)c(Cl)c1)c1ccc(N2CCCCC2)cc1 14396448 QMKXBHFONFYHRU-UHFFFAOYSA-N 332.806 4.722 0 40 EJAB Cc1ccccc1Nc1ncnc2c1cnn2-c1cc(Cl)ccc1C 17136038 YPFDRGUECRPHEB-UHFFFAOYSA-N 349.825 4.829 0 40 EJAB Cc1nc(Nc2ccc(F)cc2)sc1C(=O)Nc1cccc(F)c1 22245782 UHYLHKMVGJSTQH-UHFFFAOYSA-N 345.374 4.726 0 40 EJAB O=C(Nc1ccc(Cl)c2cccnc12)c1ccc2ccccc2n1 25056937 WFGHZMJXKCLYLV-UHFFFAOYSA-N 333.778 4.689 0 40 EJAB CCCSc1ncc(Cl)c(-c2nnc(-c3ccccc3C)o2)n1 28287735 MXEUULQDCRFEIT-UHFFFAOYSA-N 346.843 4.658 0 40 EJAB CC(C)c1ccccc1O[C@@H](C)C(=O)N[C@@H]1CCCc2ccccc21 30871979 LOXFYUCMOYUHEG-OXJNMPFZSA-N 337.463 4.771 0 40 EJAB COc1cc(CNc2cc(Cl)ccc2C)cc(Cl)c1OC 37184679 PATPQKAMSBBUDY-UHFFFAOYSA-N 326.223 4.931 0 40 EJAB C/C(Cl)=C\COc1cc(C)nc2c(Br)cccc12 37858754 HMRIXCDJNBCIKO-RMKNXTFCSA-N 326.621 4.827 0 40 EJAB Cc1ccc(Cl)c(OCC(=O)Nc2ccccc2C(F)(F)F)c1 40160319 AXCNNAADYLCBSE-UHFFFAOYSA-N 343.732 4.685 0 40 EJAB CSc1ncc(-c2ccccc2)n1-c1ccc(OC(F)F)cc1 44088088 IMVHNJSGRRUNLB-UHFFFAOYSA-N 332.375 4.863 0 40 EJAB CC(C)C[C@H](C)N(C(=O)CC[C@H]1CCCO1)c1ccc2[nH]ccc2c1 58179207 NSUGBXBZVOGISE-QFBILLFUSA-N 342.483 4.895 0 40 EJAB O=C(Nc1ccc(Cl)cc1Cl)N1CCC(n2cccc2)CC1 58601474 YCBYPUUANNPHAP-UHFFFAOYSA-N 338.238 4.664 0 40 EJAB O=C(c1ccccc1)N1CCC[C@H]1c1cccnc1NC1CCCCC1 72214026 MERMSEIBXYZREA-FQEVSTJZSA-N 349.478 4.804 0 40 EJAB CCOc1ccccc1C[S@](=O)Cc1csc(C2CCCC2)n1 78394751 NEGTTXUOVMVMTE-HSZRJFAPSA-N 349.521 4.648 0 40 EJAB CC(C)[C@H]1SCC(O)=Nc2c1c(O)nn2C1CCCCCCC1 79482420 KEUBYDAFEYDBCY-OAHLLOKOSA-N 337.489 4.906 0 40 EJAB CN(C(=O)c1ccc(F)cc1Cl)c1ncc(-c2ccccc2)s1 89365683 NXLSLRWGULWGRW-UHFFFAOYSA-N 346.814 4.879 0 40 EJAB CC1CCC(N(C(=O)c2cc(-c3cccs3)on2)C2CC2)CC1 89922625 DAYFUJZLZRDOPI-UHFFFAOYSA-N 330.453 4.586 0 40 EJAB CCS[C@@H]1CC[C@@H](N[C@H](C)c2cc(Cl)c(N)c(Cl)c2)C1 108139568 IAJBWDLSSIBMSE-YUSALJHKSA-N 333.328 4.900 0 40 EJAB CC(C)Oc1cccc(CNC(=O)c2ccccc2SC(C)C)c1 113959039 DNPMNZXNYZUQIJ-UHFFFAOYSA-N 343.492 4.904 0 40 EJAB COC(=O)c1cc(Cl)c2[nH]c(-c3ccc(C(C)(C)C)cc3)nc2c1 216922858 CYEKTVHJKLASED-UHFFFAOYSA-N 342.826 4.967 0 40 EJAB Cc1ccc(C(=O)Nc2ccc3c(c2)ncn3-c2ccccc2C)cc1 103956 FLBBZCLBOBLULO-UHFFFAOYSA-N 341.414 4.895 0 40 EJAB CSc1cccc(NC(=O)CSCc2ccc(Cl)cc2)c1 145952 MAYPNIHOGYMZLN-UHFFFAOYSA-N 337.897 4.934 0 40 EJAB Cc1ccccc1/C=C1/N=C(c2ccc(Cl)cc2Cl)OC1=O 356204 WZJNDWBZPCNMOV-OVCLIPMQSA-N 332.186 4.646 0 40 EJAB COc1ccc(Cc2ccccc2C(=O)c2ccc(OC)cc2)cc1 1593618 IQPPLGSJBCCUIK-UHFFFAOYSA-N 332.399 4.526 0 40 EJAB Cc1ccccc1C(=O)OCC(=O)c1ccc(-c2ccccc2)cc1 1687887 VURQRMBKNCAKHM-UHFFFAOYSA-N 330.383 4.702 0 40 EJAB COc1cccc2cc(-c3cc(=O)oc4ccc(Cl)cc34)oc12 2132050 IRMCDVODLNYBBL-UHFFFAOYSA-N 326.735 4.868 0 40 EJAB biogenic S=c1nc(-c2ccccc2)n(Cc2ccccn2)c2c1CCCC2 2550722 CDRSDMAEEGUBDJ-UHFFFAOYSA-N 333.460 4.602 0 40 EJAB O=C(CNc1cccc2ccccc12)Nc1cccc(C(F)(F)F)c1 3308385 BEWLAIFLAXXVNH-UHFFFAOYSA-N 344.336 4.909 0 40 EJAB CSCCSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1 5689371 BOVXCZAXRIQMRW-UHFFFAOYSA-N 345.468 4.529 0 40 EJAB CCOc1ccccc1NC(=O)c1ccccc1OCc1ccccc1 7310902 XIWZSLWIKUVUHM-UHFFFAOYSA-N 347.414 4.917 0 40 EJAB Fc1ccccc1CSc1nc(C2CC2)n(-c2ccccc2)n1 8074817 PWJBPVQMHZZNQF-UHFFFAOYSA-N 325.412 4.576 0 40 EJAB COc1ccccc1[C@@H](C)NC(=O)N[C@H](C)c1cc2ccccc2o1 10275112 QVVLXKDZMQBKNR-ZIAGYGMSSA-N 338.407 4.563 0 40 EJAB CSc1ccc(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc1 11917962 HEBFGRRYFPXJQJ-UHFFFAOYSA-N 341.432 4.702 0 40 EJAB O=C(Nc1cccc2ccccc12)C1=C(c2ccccc2)SCCO1 12321577 BZJPUHNELWGLLS-UHFFFAOYSA-N 347.439 4.911 0 40 EJAB Cc1ccc(-c2cc(COC(=O)c3cc4ccccc4o3)no2)cc1 12725589 PTIQSCPEMZGPKO-UHFFFAOYSA-N 333.343 4.753 0 40 EJAB C[C@@H](NC(=O)[C@H]1Cc2ccccc2O1)c1ccc(-c2ccccc2)cc1 12848031 JXZGSIXBZBIRSQ-OPAMFIHVSA-N 343.426 4.535 0 40 EJAB Cc1cc(-c2nc3ccccc3[nH]2)ccc1NC(=O)c1ccccc1F 12857262 XJHVKAGWHOLJOW-UHFFFAOYSA-N 345.377 4.930 0 40 EJAB Cc1cccc(CCCNC(=O)CSCc2ccc(Cl)cc2)c1 13674212 VRWHTXHXZXSCEF-UHFFFAOYSA-N 347.911 4.631 0 40 EJAB C[C@@H](SC12CC3CC(CC(C3)C1)C2)C(=O)Nc1cccc(F)c1 18759470 NPEAHAPVNKHACN-XUXNNNHQSA-N 333.472 4.855 0 40 EJAB Cc1ccccc1Nc1nn(-c2ccc(F)cc2)c2c1C(=O)C[C@H](C)C2 20796577 MBZWEMVDIKSBHI-CYBMUJFWSA-N 349.409 4.828 0 40 EJAB Cc1ccc(-c2noc([C@@H](C)Sc3nccn3C3CC3)n2)cc1F 32905716 BHNGXZBGDXLYJP-LLVKDONJSA-N 344.415 4.569 0 40 EJAB Cc1ccc(-c2csc(NC(=O)c3ccc(C)nc3C)n2)c(C)c1 54988082 YXRQGQCEJFWHMK-UHFFFAOYSA-N 337.448 4.691 0 40 EJAB C[C@H](Sc1nnc(Cc2c(F)cccc2Cl)o1)c1cccnc1 66257600 SJQQXEMHQBVCBE-JTQLQIEISA-N 349.818 4.701 0 40 EJAB CSc1ccccc1NCc1nnc(-c2cccc(Cl)c2)o1 95414813 LIUVQTJJMXIQCU-UHFFFAOYSA-N 331.828 4.724 0 40 EJAB COc1ccc(Nc2nc(Cc3ccsc3)cs2)c(OC)c1 96124515 SUBVGYIEFWIEIL-UHFFFAOYSA-N 332.450 4.556 0 40 EJAB CO[C@@](C)(CNC(=O)Nc1ccc(C)c(C)c1)c1cccc(Cl)c1 96393246 KSTZKQMVUZCEDM-IBGZPJMESA-N 346.858 4.640 0 40 EJAB CCSc1ccccc1C(=O)N[C@@H](CC)c1ccc(OC)cc1 113958458 LMGWKTBBEWIZHI-KRWDZBQOSA-N 329.465 4.688 0 40 EJAB O=C1S/C(=C/c2ccccc2F)C(=O)N1c1cccc(Cl)c1 210198920 MJTKRTRNKRGWBV-RIYZIHGNSA-N 333.771 4.720 0 40 EJAB CCOc1ccc(C(=O)Nc2cccc(OC(C)C)c2)cc1Cl 222814744 CFWLGAPWBCDCBZ-UHFFFAOYSA-N 333.815 4.778 0 40 EJAB C[C@H](Nc1ccc(NC(=O)[C@@H](C)c2ccccn2)cc1)c1ccccc1 252481671 CQFDISYUTQWOHM-IRXDYDNUSA-N 345.446 4.997 0 40 EJAB CCCOc1ccc(/C=C/C(=O)Nc2cccc(C)c2)cc1OCC 408566554 HQYSYOIXARLLJD-ZRDIBKRKSA-N 339.435 4.834 0 40 EJAB CCOc1ccc(NC(=O)NCc2ccc(-c3cccs3)o2)cc1 575607883 DXFFDFKOAYUHND-UHFFFAOYSA-N 342.420 4.729 0 40 EJAB Cc1nn(C(=O)c2ccccc2Cl)c(C)c1Sc1ccccc1 407805 NOLLUZCNJBMMQG-UHFFFAOYSA-N 342.851 4.993 0 40 EJAB CC[C@H](C)c1ccc(NC(=S)NC(=O)c2cc(C)cc(C)c2)cc1 505954 DUFUFSJCVZAJND-HNNXBMFYSA-N 340.492 4.944 0 40 EJAB CCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccccc1C)CO3 2125832 YIRRPUDGEJZLOF-UHFFFAOYSA-N 349.430 4.719 0 40 EJAB biogenic Cc1nc(SCC(=O)c2cc(C)n(C)c2C)n(C2CCCC2)c1C 5090161 YPPBTHYMQWHBEP-UHFFFAOYSA-N 345.512 4.545 0 40 EJAB C[C@H](N[C@H](C)c1ccc(Cl)cc1)c1nnc(-c2cccs2)o1 7919221 ZLESPCJLMTWWOW-MNOVXSKESA-N 333.844 4.863 0 40 EJAB CC(=O)[C@@H](Sc1nnc2cc(C)c3ccccc3n12)c1ccccc1 8429116 RCMWGUQMMBARHB-LJQANCHMSA-N 347.443 4.613 0 40 EJAB Clc1ccccc1-c1noc(-c2cc(-c3cccs3)n[nH]2)n1 9002118 QVMHRKKWAROTCL-UHFFFAOYSA-N 328.784 4.509 0 40 EJAB O=C(O)[C@@H](c1c(-c2ccccc2)[nH]c2ccccc12)N1CCCCCC1 12407725 UTWLOFXKVCTXPO-OAQYLSRUSA-N 348.446 4.837 0 40 EJAB COc1ccc2oc(-c3ccc(NC(=O)c4ccccc4)cc3)nc2c1 12843638 MFYZSPCKLJFUIP-UHFFFAOYSA-N 344.370 4.756 0 40 EJAB CCCCSc1nnc([C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)o1 13748489 ZHJGYUQGJGCFPG-RYUDHWBXSA-N 343.493 4.574 0 40 EJAB O=C(N[C@@H](Cc1ccccc1)c1ccccc1)c1c[nH]c2ccccc12 14170598 PMFCZZLBLPKGHU-QFIPXVFZSA-N 340.426 4.882 0 40 EJAB CC(=O)c1ccccc1NC(=O)c1cc(C(C)C)nc2ccccc12 14634685 BVHXJZYQBBEFQU-UHFFFAOYSA-N 332.403 4.813 0 40 EJAB O=C(COC(=O)c1occc1-c1ccccc1)c1cc2ccccc2o1 16537393 BOVZKTMOUBKGDG-UHFFFAOYSA-N 346.338 4.733 0 40 EJAB O=C(Nc1ccc2c(c1)OCCO2)c1cc2c(ccc3ccccc32)o1 24606145 CLQFZKGHRSLOOJ-UHFFFAOYSA-N 345.354 4.610 0 40 EJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCSC(C)(C)C 44946435 AUVIJRYTMNDEFV-SFHVURJKSA-N 345.508 4.645 0 40 EJAB CCOC(=O)c1ccc(-c2cc(C)c(Br)c(CC)c2)o1 45889482 QJCPAWSNLJSDEO-UHFFFAOYSA-N 337.213 4.757 0 40 EJAB COc1ccccc1Oc1ccc(NC(=S)NC(C)(C)C)cc1 54925420 ALWVJLCOTKZOEQ-UHFFFAOYSA-N 330.453 4.572 0 40 EJAB Cc1ccc(C)c(C(=O)N(CCc2ccccc2)Cc2ccccn2)c1 62017878 ROXHTVIHUPYHCA-UHFFFAOYSA-N 344.458 4.584 0 40 EJAB O=C(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)c1ccccc1 72229839 YWOBYTLXRVNYSI-IBGZPJMESA-N 337.806 4.674 0 40 EJAB COc1ccccc1CN(Cc1cccs1)C(=O)c1occc1C 95959094 HWIPVFJZFFJEGG-UHFFFAOYSA-N 341.432 4.501 0 40 EJAB CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCC(=O)C[C@]4(C)[C@H]3CC[C@]12C 118912676 SYTVBUBBHFDVIK-KRUBMYLRSA-N 332.484 4.530 0 40 EJAB Cc1ccccc1O[C@@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 222967445 WVNVUZSQMRVXBZ-IRXDYDNUSA-N 337.463 4.519 0 40 EJAB COc1cccc(C2CCN(C(=O)c3occc3C(C)C)CC2)c1F 585081151 BJASYERAKUFPOL-UHFFFAOYSA-N 345.414 4.571 0 40 EJAB CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)Nc1nc2ccccc2s1 32805 ZJLUSUJYHCDTON-PRHODGIISA-N 341.263 4.826 0 40 EJAB CCOc1ccccc1/C=C1\N=C(c2cccc3ccccc23)OC1=O 430418 ZACSPAKXCIYJJZ-RGEXLXHISA-N 343.382 4.583 0 40 EJAB Cc1nc(Nc2ccc(Cl)cc2)c2cnn(-c3ccccc3)c2n1 1672925 KQZWGMIEOOQKMU-UHFFFAOYSA-N 335.798 4.521 0 40 EJAB CCCCN(c1ccccc1)c1ncnc2c1cnn2-c1ccccc1 3912235 MAOLHAKVLDRTCA-UHFFFAOYSA-N 343.434 4.754 0 40 EJAB Cc1nc(S[C@H](C)C(=O)c2c[nH]c3ccccc23)c2ccccc2n1 4221364 OJIMYSFCISMSNI-GFCCVEGCSA-N 347.443 4.783 0 40 EJAB CCCn1c([C@H]2CC(=O)N(c3ccccc3CC)C2)nc2ccccc21 4384978 HAXGYJMPVSYHMJ-KRWDZBQOSA-N 347.462 4.529 0 40 EJAB O=C(Nc1ccccc1)c1ccccc1-c1nc(-c2ccccc2)no1 4784022 SNIYSNGAYFRNTN-UHFFFAOYSA-N 341.370 4.656 0 40 EJAB COc1cc(C)c(NC(=O)c2ccc(Cl)c(Cl)c2)cc1OC 6259124 KPCFTFCTDDMCLK-UHFFFAOYSA-N 340.206 4.571 0 40 EJAB CCNc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C)c1 6870040 QPQXVYOMFUYBMY-UHFFFAOYSA-N 328.419 4.828 0 40 EJAB O=C(CSc1ccc(Cl)cc1)Nc1ccc(OC(F)F)cc1 7003124 ZWOSHIQBGYWLEW-UHFFFAOYSA-N 343.782 4.672 0 40 EJAB Cc1cccc(-c2noc(-c3cccc(NC(=O)c4ccco4)c3)n2)c1 15671103 PCLPPRPUOJCGRB-UHFFFAOYSA-N 345.358 4.557 0 40 EJAB C[C@@H](NC(=O)c1ccc(Br)o1)c1ccc2ccccc2c1 17962655 ZDTBUXMKKVNAPS-LLVKDONJSA-N 344.208 4.686 0 40 EJAB Cc1nn([C@@H](C)CC(=O)Nc2ccc(Cl)c(Cl)c2)c(C)c1C 19909169 NAYLISHNJZQXBD-VIFPVBQESA-N 340.254 4.705 0 40 EJAB CCc1ccccc1Nc1nn(-c2ccccc2)c2c1C(=O)CCC2 20671862 BQTYJGFKYGTLLZ-UHFFFAOYSA-N 331.419 4.697 0 40 EJAB CC(C)c1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1 22259163 RVIRARXOMFTJNY-UHFFFAOYSA-N 344.263 4.918 0 40 EJAB CC[C@@H](Oc1ccccc1)C(=O)Nc1ccccc1SC(F)F 24038807 NPCKSCRACSESEM-CQSZACIVSA-N 337.391 4.797 0 40 EJAB CCOc1ccccc1C(=O)Nc1cc(-c2ccc(Cl)cc2)no1 27662967 OXRSOBHOFKMPIV-UHFFFAOYSA-N 342.782 4.646 0 40 EJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N[C@@H](C)CCc1ccccc1 30849020 XPGVYYBZELJCDL-RXVVDRJESA-N 339.479 4.598 0 40 EJAB CCN(Cc1ccco1)C(=O)c1ccc2noc(-c3ccccc3)c2c1 58368538 IXMDBTSZZBPZGP-UHFFFAOYSA-N 346.386 4.750 0 40 EJAB CCc1ccc2nc(-c3cc(Br)ccc3N)sc2c1 62720008 YKJXFMVNRLWYGQ-UHFFFAOYSA-N 333.254 4.870 0 40 EJAB CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc2cc[nH]c2c1 71844246 JWWIYNVVGDWQOE-TZIWHRDSSA-N 332.447 4.966 0 40 EJAB Cc1cccc([C@H]2CCCCCN2C(=O)CCc2c(C)noc2C)c1 71910506 KKUDYCSLMFDSLF-HXUWFJFHSA-N 340.467 4.676 0 40 EJAB Cc1nc(-c2cccc(NC(=O)c3cccc4cnccc34)c2)oc1C 73046360 DMFKDLOFRIVCAZ-UHFFFAOYSA-N 343.386 4.759 0 40 EJAB O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)N1CCCCCCC1 78413778 ZGMTVOZTTVRRLM-UHFFFAOYSA-N 344.455 4.916 0 40 EJAB CC1=Nc2c(c(=O)[nH]n2C2CCCCC2)[C@H](c2ccc(F)cc2)S1 85411909 QSJDIASRIAVKNQ-INIZCTEOSA-N 345.443 4.707 0 40 EJAB CO[C@@H]1CC2(CCN(Cc3ccc(F)cc3)CC2)c2ccc(C)cc21 96100194 MQNRSTFMNOKCLC-OAQYLSRUSA-N 339.454 4.759 0 40 EJAB Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cccc(F)c2)o1 102910919 JEGPZCQKPPPDBE-RXVVDRJESA-N 348.377 4.969 0 40 EJAB COc1ccc(CC(=O)Nc2ccccc2-c2ccccc2)cc1C 225782087 UOGKUFZILWJGHN-UHFFFAOYSA-N 331.415 4.852 0 40 EJAB CC(C)C(=O)N[C@]1(C)C[C@H](c2ccccc2F)O[C@@H]2C[C@H](C)CC[C@H]21 257286046 PJZJLIXGBICXAI-PZBVGEIHSA-N 347.474 4.623 0 40 EJAB CC1(C)C(c2ccccc2)=Nc2nonc2N[C@]1(C)c1ccccc1 408721509 ITGZCQDIIJKZCS-HXUWFJFHSA-N 332.407 4.558 0 40 EJAB Cc1c(C(=O)Nc2nc3ccccc3[nH]2)oc2c(Cl)cccc12 3428133 RYYCDFZJPBABAD-UHFFFAOYSA-N 325.755 4.523 0 40 EJAB Cc1cccc2c(CCNC(=O)CC[C@H](C)c3ccccc3)c[nH]c12 3465923 WBYMBCDCSJNOIS-INIZCTEOSA-N 334.463 4.719 0 40 EJAB COc1c(Cl)cc(C(=O)Nc2ccc(Cl)cc2)cc1Cl 4503093 NKLDRCMQDSGCQY-UHFFFAOYSA-N 330.598 4.908 0 40 EJAB CC(C)Oc1ccc(OCCn2c(=S)[nH]c3ccccc32)cc1 4619824 YZOYCNWEAPMHQM-UHFFFAOYSA-N 328.437 4.565 0 40 EJAB Cc1ccc(CN2C(=O)S/C(=C/c3ccc(Cl)cc3)C2=O)cc1 4669016 KZLKXQJXVRKSKW-MHWRWJLKSA-N 343.835 4.885 0 40 EJAB COCCn1cc(NC(=O)Nc2c(C)cccc2C)c2ccccc21 5266532 CPBBMLARNOSFNJ-UHFFFAOYSA-N 337.423 4.549 0 40 EJAB O=C(CC(c1ccccc1)c1ccccc1)Nc1nc2ccccc2[nH]1 5387570 OYBXXQXOLFCYFG-UHFFFAOYSA-N 341.414 4.724 0 40 EJAB CC(C)c1cccc(C(C)C)c1NC(=O)CCc1n[nH]c(=S)o1 5733786 RAYPYKDBSIOIQW-UHFFFAOYSA-N 333.457 4.550 0 40 EJAB Cc1c(C=O)c2ccccc2n1CCCOc1ccccc1Cl 5881647 BYOVAGRNCHIYSU-UHFFFAOYSA-N 327.811 4.885 0 40 EJAB O=C(Nc1ccc(OC(F)F)cc1)C1(c2ccccc2F)CCCC1 6508446 YPOUSJQEQUFIRA-UHFFFAOYSA-N 349.352 4.878 0 40 EJAB Cc1cccc(N(CC(=O)c2ccc(F)cc2)C2=NCCCC2)c1C 8415094 KUMMQDWYHGLJIC-UHFFFAOYSA-N 338.426 4.714 0 40 EJAB Cc1cc2nnc(SCc3nc4ccccc4o3)n2c2ccccc12 8457992 MFJJQHNJTOFROD-UHFFFAOYSA-N 346.415 4.624 0 40 EJAB Cc1ccccc1-c1nnc(COc2ccc(Cl)cc2Cl)o1 12138164 ROAJKMATVBITHX-UHFFFAOYSA-N 335.190 4.931 0 40 EJAB Cc1ccc(C(=O)N(C)Cc2ccccc2N2CCCCC2)cc1C 12557736 YPUWGMGQHVVYPI-UHFFFAOYSA-N 336.479 4.566 0 40 EJAB Cc1cc(C)nc(-n2nc(-c3ccccc3)cc2-c2ccccc2)n1 12569540 ROCVRBCXERLSQN-UHFFFAOYSA-N 326.403 4.613 0 40 EJAB Cc1nc2cc(N[C@@H](C)C(=O)Nc3cc(Cl)ccc3C)ccc2o1 12730441 LBGXJWYKPKRWEK-NSHDSACASA-N 343.814 4.537 0 40 EJAB C[C@H](c1cccs1)N(C)C(=O)/C=C/c1nc2ccccc2s1 14068834 SUTQTCFOJRKSIQ-BZYZDCJZSA-N 328.462 4.591 0 40 EJAB COc1ccccc1NC(=O)[C@@H](C)SCc1ccc(Cl)cc1 20979003 RCQCYYSWNGJDGF-GFCCVEGCSA-N 335.856 4.609 0 40 EJAB O=C(Nc1ccccc1O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 22024235 BOEKTPAXTXIWSB-UHFFFAOYSA-N 349.230 4.682 0 40 EJAB COc1ccc([C@@H](C)NC(=O)Nc2cccc(Cl)c2Cl)cc1 32609773 IKJWFKADGPVNCD-SNVBAGLBSA-N 339.222 4.885 0 40 EJAB C[C@H](SCc1nc2ccccc2c(=O)[nH]1)c1ccccc1Cl 32891558 DWWPGCWEYSFGRX-NSHDSACASA-N 330.840 4.571 0 40 EJAB Cc1cccc(Nc2cc(C(=O)N3CCCCC3)nc3ccccc23)c1 44169555 YGYPEGWUVBHGBT-UHFFFAOYSA-N 345.446 4.913 0 40 EJAB Cc1ccc(OCC(=O)Nc2ccc3[nH]c4ccccc4c3c2)c(C)c1 44781774 WEVKQUXYMWINPP-UHFFFAOYSA-N 344.414 4.955 0 40 EJAB CCOc1cc2c(cc1NC(=O)c1sccc1C(C)C)O[C@H](C)C2 66287237 FMCTUAYOMDMSJX-GFCCVEGCSA-N 345.464 4.846 0 40 EJAB Cc1c(-c2nc(-c3ccccc3)cs2)nnn1-c1cccc(F)c1 67341603 ZESMKQBLZYBHHW-UHFFFAOYSA-N 336.395 4.505 0 40 EJAB CC(C)n1cc(CCCC(=O)Nc2nccs2)c2ccccc21 72405462 HJJGDINZESMMKU-UHFFFAOYSA-N 327.453 4.640 0 40 EJAB CCc1nnc(CSc2nnc(-c3ccccc3)c3ccccc23)o1 96409759 AVXNPFJOOLCZFX-UHFFFAOYSA-N 348.431 4.535 0 40 EJAB Cc1c(C(=O)N[C@@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)oc2c(Cl)cccc12 102282525 VJCZSCBJRSKIRM-JLNYLFASSA-N 331.843 4.949 0 40 EJAB Cc1ccc(C)c(O[C@@H](C)C(=O)N[C@@H](C)c2cc(C)ccc2C)c1 113945962 UDQOPOUTJFJBCC-ROUUACIJSA-N 325.452 4.565 0 40 EJAB CCc1ccc(OCCNC(=O)CCc2ccc(C(C)C)cc2)cc1 224597627 LYKNCZAXYMFJMO-UHFFFAOYSA-N 339.479 4.500 0 40 EJAB C[C@H](Oc1ccc2ccccc2c1)C(=O)NC(C)(C)Cc1ccccc1 225627732 NNVVGKTVBDRYQA-KRWDZBQOSA-N 347.458 4.745 0 40 EJAB Cc1ccc2nc(SC(=O)c3ccc(Br)cc3)[nH]c2c1 408620551 JZKLIKRULWNCLO-UHFFFAOYSA-N 347.237 4.566 0 40 EJAB CC(C)[C@H](C(=O)N[C@@H]1CCCc2ccccc21)c1ccc(F)cc1 1585810541 ZHGLLBPSPKYPOA-UXHICEINSA-N 325.427 4.759 0 40 EJAB Clc1ccc(I)c2oc3ccccc3c12 2362797674 VEXWVAGAINHUGX-UHFFFAOYSA-N 328.536 4.844 0 40 EJAB Cc1ccc(C(C)C)c(OCC(=O)Nc2nc3ccccc3s2)c1 354994 HSYCQJATGGKVLI-UHFFFAOYSA-N 340.448 4.746 0 40 EJAB CCc1cc(=O)oc2c3c(ccc12)OCN(c1ccc(C(C)C)cc1)C3 490810 PONKEDDQHNBUIS-UHFFFAOYSA-N 349.430 4.835 0 40 EJAB biogenic CCC(=O)c1cn(CCOc2ccccc2Cl)c2ccccc12 560742 XCWUQQDYQDGJNJ-UHFFFAOYSA-N 327.811 4.966 0 40 EJAB CCOC(=O)c1c(NC(=O)C2(C)CCCCC2)sc2c1CCCC2 1464917 HRZBESOGQVEAIX-UHFFFAOYSA-N 349.496 4.713 0 40 EJAB CCCCn1c([C@H](C)NC(=O)c2cccc(C)c2)nc2ccccc21 2721308 JADVDUYRLDILJT-INIZCTEOSA-N 335.451 4.636 0 40 EJAB CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(Oc3ccccc3)cc2)c1C 3402664 XAXIUHKRWCKSCV-UHFFFAOYSA-N 348.402 4.879 0 40 EJAB COc1ccccc1[C@@H]1Nc2c(C(=O)O)cccc2[C@H]2[C@H]3CC[C@H](C3)[C@@H]21 4151487 CNVSMRIFPOSVDX-BRLNETSTSA-N 349.430 4.690 0 40 EJAB CCC(CC)C(=O)Nc1cccc(-c2cn3c(C)csc3n2)c1 5083698 OPUNHJLSCGHPFE-UHFFFAOYSA-N 327.453 4.746 0 40 EJAB CC(C)(C)c1ccccc1NC(=O)Cc1ccc(Br)cc1 5443285 DEMQKMFPPJGZTG-UHFFFAOYSA-N 346.268 4.928 0 40 EJAB CCCCCCNC(=O)Nc1ccc(OCc2ccccc2)cc1 6264040 CLRWNOQADCRGGA-UHFFFAOYSA-N 326.440 4.967 0 40 EJAB CC[C@H]1CCc2sc(C(=O)Nc3cccc(C(C)=O)c3)cc2C1 6376934 YQFJFHISEBISKZ-ZDUSSCGKSA-N 327.449 4.718 0 40 EJAB O=C(CSc1ccccc1C(=O)O)c1ccc(Cl)cc1Cl 6473651 LXQPOOCNLKSNCC-UHFFFAOYSA-N 341.215 4.667 0 40 EJAB Cc1ccc(C)c(SCC(=O)Nc2ccccc2OC(F)F)c1 6544873 URRRWXGTVYWZGO-UHFFFAOYSA-N 337.391 4.636 0 40 EJAB O=NNc1ncc(Sc2ccccc2)nc1Sc1ccccc1 6581754 OFIGDJOUFYONDB-UHFFFAOYSA-N 340.433 4.872 0 40 EJAB COc1ccc(CCC(=O)Nc2ccc(C(C)(C)C)cc2)cc1OC 6597648 UOACNWSONJAKRL-UHFFFAOYSA-N 341.451 4.573 0 40 EJAB O=C(/C=C/c1ccccc1Cl)Nc1ccc(OC(F)(F)F)cc1 6889358 OOIHOSILCRCZJV-BJMVGYQFSA-N 341.716 4.891 0 40 EJAB COc1ccc(C(=O)N(CC(C)C)c2nc3ccccc3s2)cc1 7643585 BJSWBKYLBFQVFT-UHFFFAOYSA-N 340.448 4.608 0 40 EJAB O=C(/C=C/c1ccco1)Nc1nc(-c2ccc(F)cc2Cl)cs1 15639823 QNYXZWSSETWULM-GQCTYLIASA-N 348.786 4.848 0 40 EJAB CCOP(=O)(OCC)[C@H](Nc1ccccn1)c1ccc(F)cc1 20828949 ORDVWOCVTJTWBC-INIZCTEOSA-N 338.319 4.598 0 40 EJAB CC(=O)N(CC[C@@](C)(c1ccccc1)C1CC1)[C@@H]1CCOC(C)(C)C1 32070661 DIYDHMDCFFPHKX-IRLDBZIGSA-N 343.511 4.551 0 40 EJAB O=C(Nc1cc(-c2ccccc2)n[nH]1)c1cc(Cl)ccc1Cl 32611650 BXOBPAOMMWMVJE-UHFFFAOYSA-N 332.190 4.636 0 40 EJAB C[C@H](Nc1ncnc2ccccc12)c1ccc(OC(F)(F)F)cc1 32816989 OVWHRZGXXIOKRA-NSHDSACASA-N 333.313 4.702 0 40 EJAB Clc1cccc(Cl)c1Cc1noc(C(Cl)(Cl)Cl)n1 39274962 VFQNYEBZQMCDFQ-UHFFFAOYSA-N 346.428 4.794 0 40 EJAB Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccccc1C(C)(C)C 39994065 NYXZVOIXRJKUOD-UHFFFAOYSA-N 341.499 4.635 0 40 EJAB CC[C@H](Oc1cccc2ccccc12)C(=O)N(C)Cc1ccccc1 44901191 UURVKIMZHVJWOC-FQEVSTJZSA-N 333.431 4.656 0 40 EJAB CCN(C(=O)c1csc(-c2cccs2)n1)c1cccc(F)c1 45515539 IFEMIYNKCUUVHV-UHFFFAOYSA-N 332.425 4.677 0 40 EJAB Cc1ccccc1-n1ccnc1SCc1nc2ccccc2nc1C 48235047 DUXZPEKLYDSLFK-UHFFFAOYSA-N 346.459 4.725 0 40 EJAB c1ccc(COc2ccc3c(c2)CN(Cc2ccccc2)CO3)cc1 90751686 CWRJGFCAEHHUIW-UHFFFAOYSA-N 331.415 4.618 0 40 EJAB Cc1ccc(N2C(=S)N[C@H]3C[C@@]2(C)Oc2c(Cl)cccc23)cc1 101170175 BUOXSHXSYOQFTM-MAUKXSAKSA-N 344.867 4.583 0 40 EJAB Cc1cc(O[C@@H](C)C(=O)Nc2cccc(OC(C)C)c2)ccc1Cl 222846047 GXZFQDGLAFRPRA-AWEZNQCLSA-N 347.842 4.842 0 40 EJAB CCN(Cc1ccccc1)C(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C 223088930 XYIGNNBRYSMEFW-GOSISDBHSA-N 339.479 4.934 0 40 EJAB Cc1ccc(S[C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCC3)cc1 223156079 QIXNGLGESGHKPI-HOTGVXAUSA-N 339.504 4.842 0 40 EJAB 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4.523 0 40 EJAB CCC(=O)c1ccc(OC)c2cccc(OC(=O)c3ccccc3)c12 5307489 DPGNEZSTXIITQY-UHFFFAOYSA-N 334.371 4.660 0 40 EJAB Cc1cc(S(=O)(=O)Oc2ccc(C(C)C)c(C)c2)ccc1Cl 5749957 VDMKRSOZQPWGQC-UHFFFAOYSA-N 338.856 4.848 0 40 EJAB O=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1ccco1 6553454 NOVCIKZNFNRXJB-UHFFFAOYSA-N 326.333 4.508 0 40 EJAB COc1ccc2cc([C@H](C)C(=O)NCc3ccc(C)cc3)ccc2c1 8190361 HTOSSTCZJJSNAT-INIZCTEOSA-N 333.431 4.577 0 40 EJAB C[C@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)c1ccccc1 9052947 CMZCHAYVRDJCHW-AWEZNQCLSA-N 347.443 4.578 0 40 EJAB O=C(/C=C/c1ccc(Cl)cc1Cl)N1CCc2sccc2C1 10885139 CLYHEFAWOKYQDL-DUXPYHPUSA-N 338.259 4.653 0 40 EJAB C[C@H](CCc1ccccc1)NC(=O)[C@@H](C)Oc1cccc2ccccc12 13709467 BEPMIORKXPXNBJ-QZTJIDSGSA-N 347.458 4.745 0 40 EJAB O=C(Nc1cc2ccccc2nc1C1CCCCC1)c1ccncc1 13997927 FUKPUQJBGKMWIX-UHFFFAOYSA-N 331.419 4.930 0 40 EJAB COc1ccc(/C=C/c2noc(C)c2NC(=O)c2ccc(C)cc2)cc1 14139101 ABUSCMARQLPBLJ-MDWZMJQESA-N 348.402 4.723 0 40 EJAB COc1cc(SC)ccc1C(=O)N[C@@H](C)c1ccccc1Cl 16017726 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100032825 HRDLQYJWHKFHLY-ONUMYQOESA-N 344.867 4.521 0 40 EJAB CC1(C)[C@@H]2C=C(CCOC(=O)NC(=O)c3ccc(Cl)cc3)C[C@@H]1C2 102196643 ACUJRDRFVKBRIY-HUUCEWRRSA-N 347.842 4.589 0 40 EJAB CC1(C)CC2=Nc3nonc3N[C@@H](c3cccc(Cl)c3)C2=C(O)C1 102748820 JYGFDXYZHIAZNF-AWEZNQCLSA-N 344.802 4.594 0 40 EJAB CC[C@H](Oc1ccccc1F)C(=O)N[C@H](CC)c1ccc(C)cc1C 219582712 SSBZCLWTTJLGGP-MOPGFXCFSA-N 343.442 4.867 0 40 EJAB CCOc1ccc(C(=O)N[C@@H](C)CC)cc1COc1ccccc1C 224369579 IZVKZCQGBIFBII-INIZCTEOSA-N 341.451 4.501 0 40 EJAB CCCC[C@H](CC)CNC(=O)C1CCN(Cc2ccc(C)cc2)CC1 224530548 UEIUOSXNSMJRRL-IBGZPJMESA-N 344.543 4.540 0 40 EJAB CCCCc1ccc(C[C@H](Oc2ccccc2Cl)C(=O)O)cc1 225127926 VAUZODUFPCTPQL-SFHVURJKSA-N 332.827 4.757 0 40 EJAB COc1ccc(C(=O)Sc2nc3cc4ccccc4cc3[nH]2)cc1 409393052 UTOUXYATSGKMAY-UHFFFAOYSA-N 334.400 4.657 0 40 EJAB O=C(NC[C@@H](c1ccco1)c1cccs1)c1cc2ccccc2o1 585146758 MATVLJQMMGEJAQ-AWEZNQCLSA-N 337.400 4.649 0 40 EJAB Cc1ccc(OC(C)C)c(-c2ccc(C(=O)O)c(CC(C)C)n2)c1 585265119 GTCUSDZQMYCTCI-UHFFFAOYSA-N 327.424 4.741 0 40 EJAB Cc1ccc(CSc2nc3sc(C)c(C)c3c(=O)n2C)cc1C 527227 KVZFEAGJNOVYIZ-UHFFFAOYSA-N 344.505 4.521 0 40 EJAB CC(C)COc1cccc(C(=O)Nc2ccc(N3CCCC3)cc2)c1 570234 WSOPPRLHFATMEZ-UHFFFAOYSA-N 338.451 4.574 0 40 EJAB c1ccc(CSc2nc(N3CCCC3)c3sccc3n2)cc1 1398462 QXHRPAQZAJCPEG-UHFFFAOYSA-N 327.478 4.584 0 40 EJAB CC(C)N(C[C@@H](c1ccccc1)[C@](C)(O)c1ccccc1)C(C)C 1670729 PKBJERGOXGFAOR-FCHUYYIVSA-N 325.496 4.797 0 40 EJAB O=S(=O)(Cc1ccccc1)/C(=C/c1ccccc1)c1ccccc1 1692025 ONFIELJYPYBFER-LTGZKZEYSA-N 334.440 4.800 0 40 EJAB CCCCc1nc2sc3c(OC(C)C)ncnc3c2c2c1CCC2 2233364 JYYNIVGRGBZDQL-UHFFFAOYSA-N 341.480 4.858 0 40 EJAB CCCCCn1c([C@@H](C)NC(=O)Cc2ccccc2)nc2ccccc21 2721364 AUNVSARGGBGUQR-QGZVFWFLSA-N 349.478 4.646 0 40 EJAB O=C(COc1ccc(F)cc1Cl)Nc1cccc(C(F)(F)F)c1 3417808 LNQVJKCSUIXKET-UHFFFAOYSA-N 347.695 4.515 0 40 EJAB CC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1Br 4644808 ILVMPBQLHJPEPA-UHFFFAOYSA-N 348.284 4.875 0 40 EJAB Cc1nnc(SCCc2ccccc2)n1-c1ccc(Cl)cc1 4675249 JAQUWCGADJHGDD-UHFFFAOYSA-N 329.856 4.564 0 40 EJAB Cc1nc2c(C)cccc2c(SC(=N)N)c1CC=C(Cl)Cl 4826688 UARNTGBELQUOTD-UHFFFAOYSA-N 340.279 4.699 0 40 EJAB C[C@@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc(Cl)cc3)=NN12 5235440 RBWGKDKKNHJEOR-QFYYESIMSA-N 333.218 4.883 0 40 EJAB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1cccnc1 5336486 DLGOCZZDDWIPIO-UHFFFAOYSA-N 348.189 4.604 0 40 EJAB C[C@@H](NC(=O)c1ccccc1C(F)(F)F)c1ccccc1Cl 7780023 HYDYSPUXGLSIMN-SNVBAGLBSA-N 327.733 4.850 0 40 EJAB CCOc1ccc(Cl)cc1-c1nc2cc(Cl)ccc2c(=O)o1 8186310 FOSURPLJFBGTNT-UHFFFAOYSA-N 336.174 4.561 0 40 EJAB O=C(OCc1nc2ccccc2o1)c1ccc(-c2ccc(O)cc2)cc1 8264894 QYUCHNIBHYCFCU-UHFFFAOYSA-N 345.354 4.557 0 40 EJAB C[C@H]1Cc2ccccc2N1C(=O)CSCc1ccc(Cl)cc1 10449647 BYCDJWIPMGNIEZ-ZDUSSCGKSA-N 331.868 4.551 0 40 EJAB CCCCOc1ccc(S(=O)(=O)Nc2cc(C)cc(C)c2)cc1C 11565950 DWCVLJVZKQQSPL-UHFFFAOYSA-N 347.480 4.592 0 40 EJAB O=C(c1ccccc1Cl)N(Cc1cccs1)c1ccccn1 11914631 QLMMKRSVJDYOHU-UHFFFAOYSA-N 328.824 4.644 0 40 EJAB CSc1ncccc1C(=O)N[C@@H](c1ccccc1)c1ccc(C)cc1 12784069 HMPVCHWEAQLNQN-IBGZPJMESA-N 348.471 4.631 0 40 EJAB Oc1ccc(Br)cc1-c1cc(-c2ccccc2Cl)[nH]n1 13126309 MMLKBDGKQVDEEK-UHFFFAOYSA-N 349.615 4.865 0 40 EJAB Cc1cccc(NC(=O)C2[C@H]3CC[C@@H]4[C@@H](CC[C@H]23)C4(Cl)Cl)c1 13154344 ILZRVBWTTJKFOR-BYNSBNAKSA-N 338.278 4.790 0 40 EJAB c1cncc(CN(Cc2ccc3ncccc3c2)Cc2cccs2)c1 13569725 SZXCSEGZRWVPFK-UHFFFAOYSA-N 345.471 4.894 0 40 EJAB O=c1c(-c2ccccc2)coc2c3c(ccc12)OCN(C1CCCC1)C3 13693679 WZYGQAFILSJOSD-UHFFFAOYSA-N 347.414 4.555 0 40 EJAB biogenic C[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccccc1Cl 13708512 NTOUXQYDFQYWMQ-AWEZNQCLSA-N 339.822 4.577 0 40 EJAB Cc1noc(C)c1C(=O)Nc1ccccc1Oc1ccccc1Cl 14198557 YEBNYFAZGKTGPB-UHFFFAOYSA-N 342.782 4.989 0 40 EJAB CCc1ccc(C(=O)Nc2ccc(Br)cc2Cl)cc1 14258396 MUYXYYNGJUJGNQ-UHFFFAOYSA-N 338.632 4.917 0 40 EJAB O=c1[nH]c(S/C=C/c2ccccc2)nc2sc3c(c12)CCCC3 16450947 OKYOFHCXZLDXCY-ZHACJKMWSA-N 340.473 4.626 0 40 EJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NC12CC3CC(CC(C3)C1)C2 20104669 NPSRSGNKQIJIEE-XAPRQVHKSA-N 347.886 4.582 0 40 EJAB O=c1oc2ccccc2cc1-c1ccc(Br)cc1Cl 20160508 WZSASEJEXLPIIN-UHFFFAOYSA-N 335.584 4.876 0 40 EJAB Cc1ccc(NC(=O)c2sc(N(C)c3ccccc3)nc2C)cc1 22237679 IFFSVGWYIMMWTM-UHFFFAOYSA-N 337.448 4.780 0 40 EJAB CSc1ccccc1C(=O)Nc1ccc(NC(=O)CC(C)C)cc1 25765627 ZYRQQVGCURPLED-UHFFFAOYSA-N 342.464 4.645 0 40 EJAB O=C(Nc1ccc(Cl)c2ncccc12)c1ccc2ncsc2c1 26072859 LTAJKORHYIJZBM-UHFFFAOYSA-N 339.807 4.750 0 40 EJAB C[C@@H]1c2ccsc2CCN1C(=O)c1ccc(OC2CCCC2)cc1 31897169 GYXXTFMZJKVAQL-CQSZACIVSA-N 341.476 4.829 0 40 EJAB COc1cc(-c2nc3ccccc3[nH]2)ccc1OCc1ccccc1 41005010 RWSUFBSSRIITSD-UHFFFAOYSA-N 330.387 4.818 0 40 EJAB Cc1oc(C)c(C(=O)OCc2csc(Cc3ccccc3)n2)c1C 58670084 BJEOTJYUMGZZNW-UHFFFAOYSA-N 341.432 4.609 0 40 EJAB CC1CCN(C(=O)c2ccc(-c3nc4ccccc4s3)cc2)CC1 59842881 HGVYYHJBDPZZGV-UHFFFAOYSA-N 336.460 4.835 0 40 EJAB Cc1cc(C)c2sc(NC(=O)Nc3c(F)cccc3F)nc2c1 70655601 CNHQFMMDRKCDHZ-UHFFFAOYSA-N 333.363 4.835 0 40 EJAB Cc1c(F)cccc1NC(=S)Nc1ccc(Br)cc1 71760538 UHBMQDXRNYCIIJ-UHFFFAOYSA-N 339.233 4.706 0 40 EJAB C[C@@H](N[C@H](c1ccccc1)C1CCCCC1)c1nnc2ccccn12 95350757 XMNOPTVIEGMIKN-OXQOHEQNSA-N 334.467 4.702 0 40 EJAB CSc1ccc(CNc2cccc(CCCOC(C)=O)c2)cc1 95945449 UGEIDBYNDXIMHI-UHFFFAOYSA-N 329.465 4.516 0 40 EJAB O=C(Nc1cccc2c1CCCC2)c1ccc(F)cc1C(F)(F)F 96171234 FLLJWMQMMHFDSE-UHFFFAOYSA-N 337.316 4.976 0 40 EJAB CC[C@H](Nc1nc2cc(C(F)(F)F)ccc2s1)c1ncc[nH]1 97104046 KDDZLKXUASUVRZ-VIFPVBQESA-N 326.347 4.601 0 40 EJAB CC[C@@H](NC(=O)Nc1ccc(Cl)cc1)c1ccc(OC)c(OC)c1 222636951 LBSBYZNUIMZNEC-OAHLLOKOSA-N 348.830 4.630 0 40 EJAB CCOCc1cc(C(=O)Nc2c(CC)cccc2CC)ccc1OC 224408539 QHCDZBVSQRTMAJ-UHFFFAOYSA-N 341.451 4.609 0 40 EJAB Fc1ccc(NC(=S)NCCCc2ccc(Cl)cc2)cc1F 225544403 JESXSLROLSNZOA-UHFFFAOYSA-N 340.826 4.537 0 40 EJAB O=C(NC1CCCCC1)N[C@H]1CC2(CCCCC2)Oc2ccccc21 225754100 YLMFCLLSGZNWRI-SFHVURJKSA-N 342.483 4.845 0 40 EJAB O=C(NCc1cccc2ccccc12)c1cc(-c2ccc(F)cc2)on1 225900249 RODHKTFZPAFDLY-UHFFFAOYSA-N 346.361 4.564 0 40 EJAB C[C@H](N[C@@H](C[C@H]1CCOC1)c1ccccc1)c1nc2ccccc2o1 248725458 HVDCYEUGZSLQNM-FCEWJHQRSA-N 336.435 4.646 0 40 EJAB O=C1S/C(=C\c2cccc(C(F)(F)F)c2)C(=O)N1c1ccccc1 408809710 IKFAAXMSCVTXHG-UVTDQMKNSA-N 349.333 4.946 0 40 EJAB CC(C)C(=O)N1CCCC[C@H]1c1nnc(-c2ccc3ccccc3c2)o1 521393925 JYTUJJPJSHITIF-SFHVURJKSA-N 349.434 4.599 0 40 EJAB C[C@@H](Cc1csc2ccccc12)NC(=O)/C=C/c1cccs1 575621541 PLVMEJQNTZXLRK-XEHSLEBBSA-N 327.474 4.723 0 40 EJAB Clc1ccc([C@H]2CN(CC[C@@H]3C[C@H]3C3CC3)CCO2)cc1Cl 1615405296 BMGZJDFEDBZEQF-QIIPPGSGSA-N 340.294 4.803 0 40 EJAB O=C(Nc1cc(Cl)cc(Cl)c1)Nc1cc(-c2ccco2)n[nH]1 170349 HIRGGMMABDISOJ-UHFFFAOYSA-N 337.166 4.621 0 40 EJAB CC(C)Cn1c(=S)[nH]c2c(c1=O)C1(CCCC1)Cc1ccccc1-2 1248150 HIKJOWMQYZINPE-UHFFFAOYSA-N 340.492 4.597 0 40 EJAB COc1cnc(SCc2ccc(Cl)c(Cl)c2)nc1Cl 1388683 CWGCYJGOFZYJAU-UHFFFAOYSA-N 335.643 4.738 0 40 EJAB O=C(COc1ccc(Cl)cc1)[C@H]1CSc2ccc(Cl)cc21 1560022 MGNUXJOBUOCQBL-AWEZNQCLSA-N 339.243 4.831 0 40 EJAB Cc1ccc(C(=O)CSc2nc(C)nc3c2oc2ccccc23)cc1 5254219 KQUFSHQKEJIEFA-UHFFFAOYSA-N 348.427 4.968 0 40 EJAB CCCSc1nc(-c2ccc(C)cc2)nc2c1COC(C)(C)C2 5269181 ZPBDSQLVMGIHSE-UHFFFAOYSA-N 328.481 4.805 0 40 EJAB C[C@H](SCc1ccccc1)C(=O)Nc1ccc(C(F)(F)F)cc1 5736422 XOFORBCLWACDLF-LBPRGKRZSA-N 339.382 4.966 0 40 EJAB CCCCc1ccc2nc(NC(=O)c3ccccc3OC)sc2c1 6398153 MNEQYLXLXUBWJO-UHFFFAOYSA-N 340.448 4.900 0 40 EJAB O=C1CC2(CCCCC2)C(=O)N1Cc1ccc(-c2ccccc2)cc1 7046908 WQVDFALGOBDYMA-UHFFFAOYSA-N 333.431 4.563 0 40 EJAB CCc1ccc(Cl)c(CC)c1NC(=O)c1cccnc1SC 8230069 LMHVDWQWNNFZMQ-UHFFFAOYSA-N 334.872 4.834 0 40 EJAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1ncnc2ccccc12 8395266 KTECRJNXGQCZJH-ZDUSSCGKSA-N 347.443 4.783 0 40 EJAB COc1cc(CNC2CCCC2)ccc1OCc1cccc(Cl)c1 8471877 YXQGQLIPEDAAQF-UHFFFAOYSA-N 345.870 4.960 0 40 EJAB CCCCC(=O)Nc1cc(-c2nc3cc(OC)ccc3o2)ccc1C 9252407 FPPFYSXDZQQOCP-UHFFFAOYSA-N 338.407 4.941 0 40 EJAB COc1ccc(-n2c(SCc3ccccn3)nc3ccccc32)cc1 10392973 AFIDUCJDHOAVNF-UHFFFAOYSA-N 347.443 4.721 0 40 EJAB Oc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)cc1 12275976 ZJTSWZBWWAXWJL-UNMCSNQZSA-N 342.398 4.635 0 40 EJAB CCc1cccc2cc3c(nc12)O[C@@H](C)CN(Cc1ccccc1)C3 13563846 JLBRSCLMUBJBOK-INIZCTEOSA-N 332.447 4.580 0 40 EJAB c1ccc(-c2cn(-c3nc(-c4cccnc4)nc4ccccc34)cn2)cc1 14095727 FCZIJRKIUQVPBD-UHFFFAOYSA-N 349.397 4.545 0 40 EJAB COc1ccccc1NC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 15353186 MWWQOAQRKWSRHD-CYBMUJFWSA-N 334.419 4.554 0 40 EJAB Cc1cc(C[C@@H]2CCC[C@H]2NCc2ccccc2C(F)(F)F)on1 19120585 QNQLRHFQEPRHOY-SUMWQHHRSA-N 338.373 4.503 0 40 EJAB CN(C)[C@H](CNCc1ccc(-c2ccccc2Cl)o1)c1ccco1 22787433 HIFWUDINYJNRML-QGZVFWFLSA-N 344.842 4.586 0 40 EJAB Cc1cccc(Cc2cnc(NC(=O)c3ccoc3C)s2)c1Cl 24831232 LHBIJCZTDODNTL-UHFFFAOYSA-N 346.839 4.849 0 40 EJAB O=C(CCn1ccc2ccccc21)N1CCC(Cc2ccccc2)CC1 32747727 DYIBGTVIWDIAAG-UHFFFAOYSA-N 346.474 4.513 0 40 EJAB Cc1ccc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3s2)cc1 32772701 GVMUWEVDJPFGJY-QGZVFWFLSA-N 336.460 4.972 0 40 EJAB Cc1cccc(-n2nc(Nc3cc(F)cc(F)c3)sc2=S)c1 32815432 LIEBAJRECQUXHD-UHFFFAOYSA-N 335.404 4.994 0 40 EJAB Cc1cc(CNC(=O)c2cc3ccccc3s2)c2ccccc2n1 35316216 SPWVOWKRVBFPFK-UHFFFAOYSA-N 332.428 4.688 0 40 EJAB CC(C)(C)c1cc(Br)ccc1OCC[C@@H]1CCCCN1 42770450 RGEOIXPRHQLIFV-AWEZNQCLSA-N 340.305 4.658 0 40 EJAB O=C(Nc1ccc(F)c(Cl)c1)[C@@H](c1ccccc1)n1cccc1 56907465 FKBVZVMCZGQRID-QGZVFWFLSA-N 328.774 4.509 0 40 EJAB CC(C)n1ccc2c(NC(=O)c3cccc4c3ccn4C)cccc21 70666658 UDPYBVZYMAPJNJ-UHFFFAOYSA-N 331.419 4.966 0 40 EJAB biogenic COc1ccc(-c2cc(NCc3ccccn3)nc3[nH]ccc23)cc1C 72149186 KLWTVIFAKPFOJL-UHFFFAOYSA-N 344.418 4.554 0 40 EJAB C[C@H](NCc1cnn(C(C)(C)C)c1)c1nc(-c2ccccc2)cs1 72271302 NMUOIYOSPNBQHQ-AWEZNQCLSA-N 340.496 4.612 0 40 EJAB Fc1cccc(-c2nccnc2[C@H]2CCCN(Cc3ccccc3)C2)c1 72358348 HLQZGTYIAFFION-IBGZPJMESA-N 347.437 4.662 0 40 EJAB CC(C)c1cc(C(=O)N2CCC[C@H]2CC(C)(C)C)nn1C(C)(C)C 84622458 DFXZYCFJKLLXIO-HNNXBMFYSA-N 333.520 4.802 0 40 EJAB c1ccc([C@H]2C[C@@]34OCCN3[C@]3(CCCC[C@H]23)Oc2ccccc24)cc1 102805917 KMZWVRIIHGSMOD-NNLJWKLDSA-N 347.458 4.638 0 40 EJAB C[C@H](c1ncc(-c2ccccc2)o1)[S@](=O)[C@H](C)c1cccs1 107520607 AUXMYXXGRAOIBV-VJBOLBCHSA-N 331.462 4.974 0 40 EJAB Cc1ccc(C)c(CC(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)c1 219276509 PCYLHRWRWKUDDQ-LJQANCHMSA-N 337.463 4.573 0 40 EJAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc(OC)c1 222906761 UQNSCVHTDFTYJH-LJQANCHMSA-N 341.451 4.789 0 40 EJAB CCc1ccc([C@H](C)NC(=O)[C@H](C)SCc2ccccc2)cc1 225494965 VKVQIMYVJHBVNH-HOTGVXAUSA-N 327.493 4.748 0 40 EJAB COc1ccc([C@@H](CC(C)C)NC(=S)Nc2ccc(F)cc2)cc1 225498243 XNUOBJFTIPLENA-GOSISDBHSA-N 346.471 4.908 0 40 EJAB COc1ccc(CCCNC(=S)Nc2ccc(C(C)C)cc2)cc1 225555670 ARXZMDIBAAFNEC-UHFFFAOYSA-N 342.508 4.738 0 40 EJAB CC(C)(C)c1ccc(NC(=O)C(Cl)(Cl)Cl)c(Cl)c1 163005 LRCRPLNVUBDESN-UHFFFAOYSA-N 329.054 4.946 0 40 EJAB O=C(/C=C/c1ccccc1)Nc1ccc2oc(-c3cccnc3)nc2c1 277217 AJIYEOABHGCCAA-DHZHZOJOSA-N 341.370 4.542 0 40 EJAB CCOc1ccc(C(=O)Nc2nc3c(Cl)cccc3s2)cc1 364088 BBQMXECESGBGGW-UHFFFAOYSA-N 332.812 4.601 0 40 EJAB Cc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)c2ccc(F)cc2)o1 1016825 RDWXFXAWCFYOCS-IBGZPJMESA-N 348.377 4.719 0 40 EJAB CC(=O)c1ccc(NC(=O)C2c3ccccc3-c3ccccc32)cc1 3422051 XSMSRPMJNKHHCA-UHFFFAOYSA-N 327.383 4.640 0 40 EJAB COC1(OC)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1 4041982 LLKUOQXUUFDONQ-ADXOPFBHSA-N 334.500 4.587 0 40 EJAB biogenic O=C(Nc1cccc(F)c1)N1CC=C(c2ccc(Cl)cc2)CC1 4105237 JYRFZGABBBVGNN-UHFFFAOYSA-N 330.790 4.800 0 40 EJAB aggregator Clc1ccc(-c2nnc3sc(-c4ccccc4)nn23)c(Cl)c1 4784632 SBNHLKZNIKCEMH-UHFFFAOYSA-N 347.230 4.827 0 40 EJAB C[C@@H]1CCCCN1C(=O)c1cc2sccc2n1Cc1ccccc1 4970868 QWCKKFSWFIOLFC-OAHLLOKOSA-N 338.476 4.766 0 40 EJAB CC(=O)[C@H](c1ccccc1)[C@H](CC(=O)OC(C)(C)C)c1ccccc1 5379105 LLZKELCVXJGQDL-TZIWHRDSSA-N 338.447 4.875 0 40 EJAB Cc1ccc2c(c1)c1nnc(SC(C)C)nc1n2Cc1ccccc1 5389348 WCILAXAWGRJAGG-UHFFFAOYSA-N 348.475 4.837 0 40 EJAB COc1cccc(Nc2nc(-c3[nH]c(C)c(C(C)=O)c3C)cs2)c1 7843698 HQSRRLAQYFGIPU-UHFFFAOYSA-N 341.436 4.710 0 40 EJAB CCOc1cccc(CNC2CCCC2)c1OCc1ccccc1 8325499 DKQHXZWCKSZPDY-UHFFFAOYSA-N 325.452 4.697 0 40 EJAB CCCN(CCC)Cc1c(C)nc2ccc(OCC(C)C)cc2c1O 8717492 HBTRKNGJSANYQE-UHFFFAOYSA-N 344.499 4.906 0 40 EJAB CC(=O)Nc1ccc2nc(SCc3ccc(C)cc3)sc2c1 9251029 QHBQCPOFMICKHM-UHFFFAOYSA-N 328.462 4.855 0 40 EJAB COc1cc(CN[C@@H](c2cccs2)C(C)C)cc(Cl)c1O 9503239 VEROLWJPZVKINI-OAHLLOKOSA-N 325.861 4.603 0 40 EJAB Cc1ccc(CNC(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)cc1F 10206309 ONBFMVWXLFPZIU-SFHVURJKSA-N 346.833 4.738 0 40 EJAB COc1ccc(C)cc1-c1csc(NC(=O)c2ccccc2F)n1 10577867 YDLZWKYFGXKSHV-UHFFFAOYSA-N 342.395 4.519 0 40 EJAB O=C(Nc1nc2c(C(F)(F)F)cccc2s1)[C@@H]1CC=CCC1 12816379 DHKMJKLWPGYORS-SECBINFHSA-N 326.343 4.610 0 40 EJAB O=C(CCCc1nc2ccccc2s1)Nc1ccccc1Cl 13005955 BWPNAXJOJFKMIZ-UHFFFAOYSA-N 330.840 4.911 0 40 EJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NC12CC3CC(CC(C3)C1)C2 20453953 WDHJKJJLQUQTGN-BUMILGAPSA-N 341.495 4.546 0 40 EJAB Cc1ccc([C@H](C)NC(=O)c2ccc(N3CCCCC3)cc2)c(C)c1 20459206 DKPBZWZUGAHMBN-SFHVURJKSA-N 336.479 4.785 0 40 EJAB O=C(c1ccc(Cl)c(Cl)c1)N1CCc2[nH]c3ccccc3c2C1 22601341 JQTMWBPJNPNRIW-UHFFFAOYSA-N 345.229 4.673 0 40 EJAB CC[C@H](Oc1ccccc1Cl)C(=O)N[C@H](C)c1ccc(F)cc1 30848563 WETOUCQQAVXXNA-WBMJQRKESA-N 335.806 4.514 0 40 EJAB COc1cc(Cl)c(C)cc1N[C@@H](C)c1nnc(-c2cccs2)o1 32739717 MRRCSUJANVYVCB-JTQLQIEISA-N 349.843 4.942 0 40 EJAB CC(=O)c1ccc(NC(=O)[C@@H](C)SC/C=C/c2ccccc2)cc1 32772098 PYSHZXNLXWMFBS-YXMGTMDOSA-N 339.460 4.663 0 40 EJAB COc1ccccc1NC(=O)CCSCc1ccc(SC)cc1 32778749 PKDNJYLATNYKQA-UHFFFAOYSA-N 347.505 4.679 0 40 EJAB C[C@H]1CCCCN1C(=O)c1cn(Cc2ccccc2)c2ccccc12 32901812 IRSWFGVIWCEMSD-KRWDZBQOSA-N 332.447 4.704 0 40 EJAB CCOc1cccc(C=O)c1OCc1ccc(Cl)c(Cl)c1 36672254 XMRRNKFBAZVYPL-UHFFFAOYSA-N 325.191 4.784 0 40 EJAB O=C(Nc1cc(Br)cc2cccnc12)C1CCCCC1 59488868 ZDGZRTBOVLIHLC-UHFFFAOYSA-N 333.229 4.516 0 40 EJAB CCSc1ccc([C@@H]2CCCCN2C(=O)c2ccccc2)cn1 72217157 SILMAZYKEQOZNX-KRWDZBQOSA-N 326.465 4.561 0 40 EJAB CCC(CC)C(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1 96407309 NIUCRWCKHLPZQW-DEOSSOPVSA-N 343.492 4.510 0 40 EJAB c1ccc2sc(CSCc3nnc(C4CC4)n3C3CC3)nc2c1 97370351 CPVNWMWHQSFKRU-UHFFFAOYSA-N 342.493 4.534 0 40 EJAB COc1ccc(Cl)cc1CNc1ccc(OC)c(OC(F)F)c1 97465928 LPMSHOBYWYLXEQ-UHFFFAOYSA-N 343.757 4.571 0 40 EJAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1cccc(SC)c1 216487527 LNFGDYNSKRSFBJ-QGZVFWFLSA-N 329.465 4.821 0 40 EJAB CCn1c2ccccc2n2c(SCc3ccc(Cl)cc3)nnc12 218826078 ARKDHFOUEIOWIQ-UHFFFAOYSA-N 342.855 4.650 0 40 EJAB Cc1cc(C)c([C@H](C)NC(=O)[C@H](C)Sc2ccccc2)cc1C 223398983 GILYBSYTNGBYSJ-IRXDYDNUSA-N 327.493 4.970 0 40 EJAB O=C(NCCSC1CCCC1)/C(=C/c1ccco1)c1ccccc1 223844475 JZJISAJJJYKZBY-XDJHFCHBSA-N 341.476 4.612 0 40 EJAB Cc1ccc2c(c1)[C@@H](NC(=O)Cc1cccc(Cl)c1)CC(C)(C)O2 224240049 GGMQMBXKKDRMMV-KRWDZBQOSA-N 343.854 4.610 0 40 EJAB Cc1cccc(CCCNC(=S)Nc2ccc(F)c(Cl)c2)c1 225392139 IPZJVTNZFBPKFC-UHFFFAOYSA-N 336.863 4.707 0 40 EJAB Cc1c(Cl)cccc1NC(=O)COc1cccc(C(F)(F)F)c1 225810244 CIMHXBLGEYWYOA-UHFFFAOYSA-N 343.732 4.685 0 40 EJAB CCOc1ccc(C2(NC(=S)Nc3ccccc3)CCCC2)cc1 225840188 QUIIKNJGYFACDU-UHFFFAOYSA-N 340.492 4.841 0 40 EJAB Cc1ccc2oc(=O)c(C(=O)Nc3cccc4ccccc34)cc2c1 226036440 NIPMPABDAOXKBX-UHFFFAOYSA-N 329.355 4.507 0 40 EJAB O=C(NC1(c2cccs2)CCCC1)c1ccc2ncsc2c1 390829517 ZMNKZCQDHOIHIQ-UHFFFAOYSA-N 328.462 4.557 0 40 EJAB Cc1ccc(CSc2nnc(C)n2-c2ccc(Cl)cc2)cc1 409101271 AWEGOSLVMVRJND-UHFFFAOYSA-N 329.856 4.830 0 40 EJAB O=C(CCc1ccc(Cl)c(Cl)c1)N1CCC2(CC1)CC2(F)F 844870711 DPDPBVQSCVEHMM-UHFFFAOYSA-N 348.220 4.574 0 40 EJAB O=C(CCc1ccccc1)NN1c2ccccc2CCc2ccccc21 348153 XWNQHSAYPOJWQH-UHFFFAOYSA-N 342.442 4.587 0 40 EJAB biogenic Cc1c(C(=O)Nc2cccc3ccccc23)cnn1-c1ccccc1 385031 QWFQGTLOSCQHOF-UHFFFAOYSA-N 327.387 4.586 0 40 EJAB Fc1ccc(CNc2ncnc3c2[nH]c2ccc(Cl)cc23)cc1 538902 ZRSGQXYIQXTUNC-UHFFFAOYSA-N 326.762 4.516 0 40 EJAB CC(C)COc1cccc(C(=O)Nc2ccccc2C(F)(F)F)c1 568714 XHYNEQCBRAKQHS-UHFFFAOYSA-N 337.341 4.993 0 40 EJAB CCC(CC)NCCCCCNc1cc(OC)cc2cccnc12 1666858 MVOMWXFLAONTKN-UHFFFAOYSA-N 329.488 4.604 0 40 EJAB O=[P@@]1(Nc2ccccc2)OCCCN1Cc1ccccc1Cl 1667929 ZXGSGYKMFCZQTL-QFIPXVFZSA-N 336.759 4.783 0 40 EJAB Cc1[nH]c2ccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2c1C 3330319 FNXFHMVNDVFHOA-UHFFFAOYSA-N 348.324 4.936 0 40 EJAB O=C(OCc1csc(-c2ccccc2)n1)c1ccc(Cl)s1 4242349 ABTWYHBRNXEHID-UHFFFAOYSA-N 335.837 4.882 0 40 EJAB Cn1c(SCc2ccccc2F)nnc1-c1ccc(Cl)cc1 4287901 ZNFGIPOXKUZKGY-UHFFFAOYSA-N 333.819 4.567 0 40 EJAB O=C(O)CCc1ccc(-c2ccc(Cl)cc2)n1-c1ccccc1O 5927321 KROPROVVAUHHNZ-UHFFFAOYSA-N 341.794 4.521 0 40 EJAB CC(C)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 6315967 HNJMQVNBOKGSDE-UHFFFAOYSA-N 343.370 4.630 0 40 EJAB CC(C)c1ccc(-c2nnc(NC(=O)[C@@H]3CC=CCC3)s2)cc1 7987319 QCAUXEWNLYMUJE-CQSZACIVSA-N 327.453 4.623 0 40 EJAB Clc1ccc(OCCCCSc2ncccn2)cc1Cl 8749863 NWAFPTXYMYZFJQ-UHFFFAOYSA-N 329.252 4.735 0 40 EJAB Cc1cccc(C(C)C)c1NC(=O)c1ccc(NC(=O)C2CC2)s1 8768021 RTIFDCMIEUZPFQ-UHFFFAOYSA-N 342.464 4.781 0 40 EJAB CCOc1ccccc1NC(=S)N[C@H](C)c1ccc(C)c(C)c1 13930913 YQNDTQIDNIQWJD-OAHLLOKOSA-N 328.481 4.750 0 40 EJAB Cc1ccc(CSCCNC(=S)Nc2ccc(C)cc2C)cc1 18145687 HMHCADITAVFRNM-UHFFFAOYSA-N 344.549 4.832 0 40 EJAB Clc1ccc2c(c1)C=C(c1nnc(Cc3ccccc3)o1)C=CO2 20716730 GONLWLCULKESKE-UHFFFAOYSA-N 336.778 4.761 0 40 EJAB CCSc1ccccc1NC(=O)c1cc2cccc(OC)c2o1 22512453 PIPXAXDEQZAMHO-UHFFFAOYSA-N 327.405 4.806 0 40 EJAB COc1ccc(Cc2nc(-c3ccc(C)s3)cs2)cc1OC 23624950 PAUNMFNZTSUJEG-UHFFFAOYSA-N 331.462 4.788 0 40 EJAB COc1ccc2oc(C)c(C(=O)Nc3cccc(-c4cnco4)c3)c2c1 58366810 NVLXHCOTAMFLDL-UHFFFAOYSA-N 348.358 4.657 0 40 EJAB Cc1cc(=S)[nH]cc1[C@@H]1CCCN1C(=O)OCc1ccccc1 72218315 HEKMTBNBRXLRNQ-INIZCTEOSA-N 328.437 4.526 0 40 EJAB C[C@H](NC(=S)N1CCC[C@@H]1c1cccc(F)c1)c1ccccc1 84656594 BLBAFQKAHLSWPG-KBXCAEBGSA-N 328.456 4.598 0 40 EJAB CCN(C(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)C1CCCC1 84761142 XYLWGCKMJJCDNB-HUUCEWRRSA-N 325.374 4.600 0 40 EJAB O=C(Nc1ccc(Nc2ccccc2)cc1)c1ccc2nccnc2c1 95469669 LZBHUYSASZXJOS-UHFFFAOYSA-N 340.386 4.626 0 40 EJAB Cc1ccccc1CNc1nnc(-c2cccc(C(F)(F)F)c2)o1 95943650 WFVRIGDKELZZGC-UHFFFAOYSA-N 333.313 4.676 0 40 EJAB C[C@]12CC3CC(CNC(=S)Nc4ccccc4)(C1)C[C@](C)(C3)C2 100619636 CPFTZMYAXMCMFH-QJTDPOQLSA-N 328.525 4.970 0 40 EJAB CCCCc1c(C)nc2c(-c3ccc(Cl)cc3)c(C)nn2c1O 102724749 ZNYLIJKBEAJKTK-UHFFFAOYSA-N 329.831 4.715 0 40 EJAB C[C@H](NC(=O)/C=C/c1ccc(Cl)cc1Cl)[C@H]1C[C@@H]2CC[C@@H]1C2 102963496 LYTBYJYOGOTVFB-XJDSDBKESA-N 338.278 4.948 0 40 EJAB CC[C@H](NC(=O)[C@@H](C)Oc1ccccc1C)c1ccc(C)cc1C 219289967 DEBNOWSXSPKNNH-MJGOQNOKSA-N 325.452 4.647 0 40 EJAB Cc1ccccc1NC(=O)N1CCS[C@H](c2cccs2)CC1 219535049 PSZGJUUUCPRSHR-INIZCTEOSA-N 332.494 4.769 0 40 EJAB CCCCc1ccc(C[C@@H](Oc2ccccc2Cl)C(=O)O)cc1 225127888 VAUZODUFPCTPQL-GOSISDBHSA-N 332.827 4.757 0 40 EJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](C)c1ccccc1 225155638 NRGNZZIXUFYKDA-IERDGZPVSA-N 337.463 4.600 0 40 EJAB Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(Cl)cc1F)CC(C)(C)O2 225318127 NGSHFOVDHRJPHB-MRXNPFEDSA-N 347.817 4.820 0 40 EJAB CCc1ccc([C@H](C)NC(=O)c2ccc(N3CCCCC3)cc2)cc1 225460338 BYIWPTDESVVUEX-KRWDZBQOSA-N 336.479 4.730 0 40 EJAB Cc1cccc(CSCCNC(=O)c2cc(C)c(C)cc2C)c1 225641776 OHJCSSBUGHWZCO-UHFFFAOYSA-N 327.493 4.583 0 40 EJAB Fc1ccccc1NC(=S)NCCCc1cccc2ccccc12 225808409 JIYSKTSEILYAPI-UHFFFAOYSA-N 338.451 4.898 0 40 EJAB CC(=O)[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@]2(C)[C@@H]3CC[C@]2(C)O)C1 257346306 XWDRJXANNWFPCX-GDRPICJLSA-N 332.528 4.985 0 40 EJAB O=C(O)c1c(-c2ccccc2Cl)nn(-c2ccccc2)c1Cl 129904 KJFFPJOZJQPHCC-UHFFFAOYSA-N 333.174 4.544 0 40 EJAB COc1nc(-c2ccc(Cl)cc2)ccc1-c1noc(C(C)(C)C)n1 498691 FFHARAKHSPAWTG-UHFFFAOYSA-N 343.814 4.758 0 40 EJAB O=C(Cc1ccc(Cl)cc1)Nc1nc2c(Cl)cccc2s1 558576 JCIVDOXBMWUOQF-UHFFFAOYSA-N 337.231 4.784 0 40 EJAB CC(C)c1nnc(NC(=O)c2ccc(-c3ccccc3Cl)o2)s1 4539401 MQKHQPBWLOBQGN-UHFFFAOYSA-N 347.827 4.827 0 40 EJAB CCOc1ccc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)cc1 4784124 IFVAZQUSQCYQTG-UHFFFAOYSA-N 325.339 4.737 0 40 EJAB Cc1ccc(C(=O)Oc2c(C)cc(Br)cc2Cl)o1 6649242 FQVKQXYTYIMYGV-UHFFFAOYSA-N 329.577 4.532 0 40 EJAB COC(=O)c1ccc(-c2ccc(CN[C@@H](C)c3ccccc3)o2)cc1 7538804 OPDHHCWBHYXYCA-HNNXBMFYSA-N 335.403 4.584 0 40 EJAB Cc1ccsc1C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 7688726 HMURBFLNGKIKFY-UHFFFAOYSA-N 336.388 4.711 0 40 EJAB CCc1ccc(NC(=O)c2c(C)nn(Cc3ccc(C)cc3)c2C)cc1 8075897 BZMAONIKBKPGBQ-UHFFFAOYSA-N 347.462 4.671 0 40 EJAB O=C(/C=C/c1ccsc1)N1CCC[C@H]1c1nc2ccccc2s1 8327817 VMTIQAWTGYTZLO-KIUWMYQTSA-N 340.473 4.735 0 40 EJAB CCN(Cc1ccncc1)C(=O)c1sc2cc(F)ccc2c1Cl 12531424 IVFYSDZOEMVKFU-UHFFFAOYSA-N 348.830 4.751 0 40 EJAB Fc1ccc(-c2cnc(CN3CCCc4cccc(F)c43)o2)cc1 12801743 FFQSZHIWMCOPBX-UHFFFAOYSA-N 326.346 4.573 0 40 EJAB COc1ccc(CN(C)C(=O)c2ccc(-c3ccccc3)cc2)cc1 12820923 LTQIAPGXFPQNIT-UHFFFAOYSA-N 331.415 4.634 0 40 EJAB Cc1ccccc1C1=N/C(=C\c2c(Cl)cccc2Cl)C(=O)O1 13927356 SUIAVPWTYNCPIB-DHDCSXOGSA-N 332.186 4.646 0 40 EJAB CCSc1ccccc1NC(=O)[C@@H](C)Oc1cc(C)ccc1C 20110441 YFXGTFGQVGUTIA-OAHLLOKOSA-N 329.465 4.821 0 40 EJAB COc1ccc(CN(Cc2cc(F)cc3cccnc23)C2CC2)cc1 32825213 FGIPNOMUVOJXCC-UHFFFAOYSA-N 336.410 4.547 0 40 EJAB CN(Cc1c(F)cccc1Cl)C(=O)c1sccc1-n1cccc1 32895965 ZJCFLOBNMRRLSU-UHFFFAOYSA-N 348.830 4.604 0 40 EJAB O=C(Nc1cccc(-n2cc[nH]c2=S)c1)c1cc(Cl)ccc1F 57993649 VATJFYDMIBCYFP-UHFFFAOYSA-N 347.802 4.580 0 40 EJAB O=C(c1ccc(F)c(C(F)(F)F)c1)N1CCC[C@@H]1c1ccsc1 84340898 MOQBDTFZBDWVPA-CQSZACIVSA-N 343.345 4.883 0 40 EJAB C[C@H](N[C@@H](C)c1ccc2c(c1)CCCC2)c1ccc([S@](C)=O)cc1 95967167 KRGBXPSUMSLGRE-CCHLGUQTSA-N 341.520 4.715 0 40 EJAB CCc1ccc(NC(=O)[C@@H](CC)Oc2ccc3c(c2)CCCC3)cc1 224357738 UAMAWMRFVURFND-OAQYLSRUSA-N 337.463 4.924 0 40 EJAB CC(C)c1ccccc1O[C@H](C)C(=O)NC(C)(C)Cc1ccccc1 224761696 SZFINPVCJRSJDS-QGZVFWFLSA-N 339.479 4.715 0 40 EJAB Cc1ccc(C(=O)NCCSc2ccc(Cl)cc2)c(Cl)c1 224994989 URCROKGBBASBOP-UHFFFAOYSA-N 340.275 4.824 0 40 EJAB CCOC1(C(=O)Nc2ccc(O[C@@H](C)CC)c(C)c2)CCCCC1 225709948 SJOWFHLHPOITRY-INIZCTEOSA-N 333.472 4.850 0 40 EJAB CCO[C@]1(C(=O)Nc2ccc(OC3CCCC3)cc2)CCC[C@H](C)C1 225713412 IVGVRMKGBFBNJK-HRAATJIYSA-N 345.483 4.932 0 40 EJAB CCc1ccc([C@@H](C)NC(=O)CCCOc2ccc(Cl)cc2)cc1 225823838 JHSSAHMWSICIIQ-OAHLLOKOSA-N 345.870 4.939 0 40 EJAB COc1ccc2ccccc2c1CN1CCC[C@@H](c2nccs2)C1 513047064 PINANVRUTQRVTQ-MRXNPFEDSA-N 338.476 4.685 0 40 EJAB CC[C@@H](NC1(c2ccc(OC)cc2)CC1)c1cc(C)ccc1OC 538524165 FGIGPLMURUTNQQ-LJQANCHMSA-N 325.452 4.742 0 40 EJAB Cc1nc2ccc3nc(NC(=O)c4cccs4)sc3c2s1 188296 OTHYBYHPXNNFRX-UHFFFAOYSA-N 331.447 4.528 0 40 EJAB CCCCc1nc(-c2ccc(-c3ccc(Cl)cc3)nc2OC)no1 2211183 SMUIZKYFHIEHFZ-UHFFFAOYSA-N 343.814 4.803 0 40 EJAB O=C(CCc1cccc(Br)c1)c1ccc(F)c(F)c1 2516737 PFNTUJDWHFJWLR-UHFFFAOYSA-N 325.152 4.543 0 40 EJAB O=C(NC1CCCCCC1)c1c2c(nc3ccccc13)CCCCC2 3335443 TYSLORBKJBRAAG-UHFFFAOYSA-N 336.479 4.956 0 40 EJAB O=C(CNC1CCCCCC1)N1c2ccccc2CCc2ccccc21 4001556 YQOOFZOXWWUUDO-UHFFFAOYSA-N 348.490 4.762 0 40 EJAB CCCCCCOc1ccc(C(=O)Nc2cccc(OC)c2)cc1 5951249 LWQNCLIALSADQR-UHFFFAOYSA-N 327.424 4.907 0 40 EJAB CCCCC1=N[C@H]2Sc3c(OC(C)C)ncnc3[C@H]2C2=C1CCC2 6309790 WQNWRPQOFRRICC-BEFAXECRSA-N 343.496 4.905 0 40 EJAB O=C(CSC/C=C/c1ccccc1)Nc1ccccc1OC(F)F 6313918 ATJILNDPXZLKRH-RMKNXTFCSA-N 349.402 4.673 0 40 EJAB Cc1ccsc1C(=O)Nc1nc(-c2c[nH]c3ccccc23)cs1 6542862 JTIGJZBRCAKXPG-UHFFFAOYSA-N 339.445 4.914 0 40 EJAB O=C(c1ccccc1)N(Cc1ccc(Cl)cc1)Cc1ccco1 6810560 PQDUQOCJMPKPQJ-UHFFFAOYSA-N 325.795 4.776 0 40 EJAB CC[C@H](Oc1ccccc1)C(=O)N[C@@H](C)c1ccc2ccccc2c1 6852173 JNIZUJSBFOWAEK-KKSFZXQISA-N 333.431 4.875 0 40 EJAB CC[C@H](O)c1nc2ccccc2n1CCCOc1cc(C)cc(C)c1 7425470 ZEOWFFPZXZPPFW-FQEVSTJZSA-N 338.451 4.566 0 40 EJAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(F)cc1Cl 7605928 YPXMFCDXHPLXCC-SNVBAGLBSA-N 342.197 4.847 0 40 EJAB O=C1CCCN1c1ccc(NC2c3ccccc3-c3ccccc32)cc1 7848466 YDBPBHOMIDYUQC-UHFFFAOYSA-N 340.426 4.995 0 40 EJAB CC1=C(C)[C@@H](Nc2ccccc2)N([C@@H](C)CCc2ccccc2)C1=O 8986004 JLGJJBBOKQARCR-KKSFZXQISA-N 334.463 4.625 0 40 EJAB O=C(O)[C@H](c1c(-c2ccccc2)[nH]c2ccccc12)N1CCCCCC1 12407723 UTWLOFXKVCTXPO-NRFANRHFSA-N 348.446 4.837 0 40 EJAB CSCC[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc(C)cc3)=NN12 13759471 PACSKYNGPFMXIT-ICSRJNTNSA-N 338.476 4.618 0 40 EJAB CCOc1ccccc1NC(=S)N[C@@H](C)c1ccc(C)c(C)c1 13930912 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Fc1ccc(Oc2ccc(CNc3nc4ccccc4o3)cn2)cc1 52409262 XQJLKUBKYTXRAO-UHFFFAOYSA-N 335.338 4.766 0 40 EJAB CS[C@@H](C)C(=O)Nc1ccc(Sc2nc(C)cs2)cc1C 58167862 YKGDLDLTQPUKIA-NSHDSACASA-N 338.523 4.601 0 40 EJAB Cc1ccccc1-c1nnc(-c2ccc(C(=O)OC[C@@H]3C[C@@H]3C)cc2)o1 63246422 XTDBJNVREHZWHC-YOEHRIQHSA-N 348.402 4.525 0 40 EJAB COc1ccccc1[C@H]1CCCCN1C(=O)OCc1ccccc1 72221490 MWGOYYLBIOAMSW-GOSISDBHSA-N 325.408 4.559 0 40 EJAB O=C(Nc1nc2ccccc2s1)N[C@H]1CCc2c(Cl)cccc21 84603696 HNSNJERSMJVKON-ZDUSSCGKSA-N 343.839 4.759 0 40 EJAB CC1=Nc2c(c(=O)[nH]n2C2CCCCC2)[C@@H](c2cccc(F)c2)S1 85411937 WWWKFZZBEKLUPO-MRXNPFEDSA-N 345.443 4.707 0 40 EJAB CCc1onc(C)c1NC(=O)CC(c1ccccc1)c1ccccc1 89395117 YYESJCABGAPKJQ-UHFFFAOYSA-N 334.419 4.706 0 40 EJAB CCOc1cc(CO)cc(Cl)c1OCc1ccc(F)cc1Cl 95095030 MBOXFJDUWYJCHV-UHFFFAOYSA-N 345.197 4.603 0 40 EJAB Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)N5CCCCC5)(C4)C2)C3)cc1 100482507 LAGFEPOYFSBVPA-WSUXWNOTSA-N 337.507 4.846 0 40 EJAB Cc1ccc(C)c(O[C@@H](C)C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)c1 223454486 KOPHRMDDCOOXPX-OALUTQOASA-N 339.479 4.873 0 40 EJAB COc1ccc(C(=O)N[C@@H](CC(C)C)c2ccccc2)cc1Cl 223637154 YAVVEABJPSFUJN-KRWDZBQOSA-N 331.843 4.866 0 40 EJAB COc1ccc(C(=O)N[C@H](c2ccccc2)c2cccc(C)c2)cc1C 224737188 ODZLBLUGCSUXDJ-JOCHJYFZSA-N 345.442 4.831 0 40 EJAB Cc1ccc2c(c1)[C@H](NC(=S)Nc1ccc(F)cc1)CC(C)(C)O2 225673488 ADNWNWPEZYLEMS-MRXNPFEDSA-N 344.455 4.723 0 40 EJAB Cc1ccc2oc(=O)c(C(=O)Nc3cc(Cl)cc(Cl)c3)cc2c1 226036645 ITKPMAMQLWFHGC-UHFFFAOYSA-N 348.185 4.661 0 40 EJAB CCCc1nc(-c2ccc(Cl)cc2OC(C)C)ccc1C(=O)O 585265998 XRYAZQQKEHQUQH-UHFFFAOYSA-N 333.815 4.840 0 40 EJAB O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1ncccc1F 1521807028 KSAHUKPMFCUPRS-UHFFFAOYSA-N 349.390 4.750 0 40 EJAB O=C([C@H](Sc1ccccc1)c1ccccc1)N1CCCCCC1 39001 LVHBBFLSPULZSX-LJQANCHMSA-N 325.477 4.923 0 40 EJAB c1csc(-c2nc3ccccn3c2Nc2ccc3c(c2)OCCO3)c1 427582 MZNDHAIFIYNGFY-UHFFFAOYSA-N 349.415 4.578 0 40 EJAB CCCc1nc2sc3c(NCC(C)C)ncnc3c2c2c1CCC2 538981 ZUQWPIVJXOMCBC-UHFFFAOYSA-N 340.496 4.749 0 40 EJAB CCOCCN(C(=O)c1ccccc1Cl)c1cccc(C)c1C 2322773 MQXISTSRKUSSEB-UHFFFAOYSA-N 331.843 4.640 0 40 EJAB CCCCC(=O)Nc1cc(-c2nc3cccnc3s2)ccc1C 2972294 FMZZLUVHKAZAER-UHFFFAOYSA-N 325.437 4.795 0 40 EJAB Cc1occc1-c1nnc2sc(/C=C/c3cccc(Cl)c3)nn12 5032098 MMBCJONRAWFYKQ-AATRIKPKSA-N 342.811 4.578 0 40 EJAB CC(C)Cc1nc2sc3c(=S)nc[nH]c3c2c2c1CCCC2 5817376 DWXHEBPSUUUWLD-UHFFFAOYSA-N 329.494 4.979 0 40 EJAB Cc1nc(/C=C/C(=O)N[C@@H](c2ccc(Cl)cc2)C(C)C)cs1 10857961 KKBYNZACGAFXBC-KBOKABMXSA-N 334.872 4.632 0 40 EJAB O=C(NCCc1cccc2cccnc12)Nc1cccc2ccccc12 11563350 LEIRDADXGMKHPJ-UHFFFAOYSA-N 341.414 4.752 0 40 EJAB Cc1ccc2cc3c(nc2c1)OC(=O)N(Cc1ccc(Cl)cc1)C3 12236784 UUKGNEFBDYWRCW-UHFFFAOYSA-N 338.794 4.711 0 40 EJAB CCOc1cccc(=O)c2c(C)n(-c3cccc4cccnc34)c(C)c12 13692880 PQKDESXPOXCMOZ-UHFFFAOYSA-N 344.414 4.554 0 40 EJAB COc1cc(NC(=O)c2sccc2-c2ccccc2)cc(OC)c1 14125099 ZESVHBDTTNUOOR-UHFFFAOYSA-N 339.416 4.685 0 40 EJAB Oc1ccc(-c2csc(-c3cccc(Br)c3)n2)c(O)c1 14229063 VBNDADLXTFMJQM-UHFFFAOYSA-N 348.221 4.651 0 40 EJAB c1csc(-c2nc(COc3ccc(-c4nnco4)cc3)cs2)c1 14675594 SFEKJXFXOMOXNT-UHFFFAOYSA-N 341.417 4.501 0 40 EJAB C[C@@H](CN[C@H](Cc1ccsc1)c1nccs1)c1ccccc1 19456522 NNNZEKCJZYVZOT-WMLDXEAASA-N 328.506 4.882 0 40 EJAB CCCCOc1cccc(NC[C@H](C)Oc2ccc(OC)cc2)c1 19738347 WOFLLZUGSBYOCQ-INIZCTEOSA-N 329.440 4.754 0 40 EJAB CC(C)C[C@H](NC(=O)CSCc1ccccc1)c1ccccc1 19932831 SQQWMXAAROJOKY-IBGZPJMESA-N 327.493 4.823 0 40 EJAB CC[C@H](NC(=O)[C@@H](C)Oc1ccccc1Cl)c1ccc(C)cc1 20483537 LJQRUZFQCATJAU-PBHICJAKSA-N 331.843 4.683 0 40 EJAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N(C)c1ccccc1 20890226 ROXJLGLWNRDQCK-UHFFFAOYSA-N 344.773 4.719 0 40 EJAB O=C(Nc1cccc(-c2nc(-c3ccccc3)no2)c1)C1CCCCC1 20899997 HMBYRDJCRBSLFL-UHFFFAOYSA-N 347.418 4.922 0 40 EJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(F)c(Cl)c1 30755672 TVYJPJWARDRFHS-INIZCTEOSA-N 335.806 4.892 0 40 EJAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1cccc(OC(C)C)c1 30857354 PDQAXZDHIVCFHX-QGZVFWFLSA-N 347.842 4.923 0 40 EJAB Cc1ccc(CC(=O)N[C@H](c2ccccc2)c2ccccc2C)cc1 38755724 ZEXHARCNVSZSIP-HSZRJFAPSA-N 329.443 4.752 0 40 EJAB COc1ccc(NC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)c(OC)c1 40098616 USTNCPRSPVRGKV-LBPRGKRZSA-N 348.830 4.582 0 40 EJAB COc1ccc([C@@H]2CCCCCN2C(=O)[C@@H]2C[C@@H]2c2ccco2)cc1 70004171 VRTWGQRWALVIPP-OTWHNJEPSA-N 339.435 4.536 0 40 EJAB OC1=Nc2c(cnn2C2CCCC2)[C@@H](c2ccc(F)c(Cl)c2)C1 71281960 HFDSYZKIYVZXLO-GFCCVEGCSA-N 333.794 4.914 0 40 EJAB CCc1ccc([C@@H](C)NC(=O)[C@H](CC)Oc2cccc(Cl)c2)cc1 78458321 ZMRKQHBTUXATDF-KUHUBIRLSA-N 345.870 4.937 0 40 EJAB c1ccc([C@@H]2C[C@]34OCCN3[C@]3(CCCC[C@H]23)Oc2ccccc24)cc1 102805911 KMZWVRIIHGSMOD-TWRVUUBYSA-N 347.458 4.638 0 40 EJAB O=C(Cc1ccccc1)c1ccc(Br)c(C(F)(F)F)c1 124495968 XACALPLSTUHCAA-UHFFFAOYSA-N 343.142 4.893 0 40 EJAB Cc1cc(C)cc(NC(=O)c2ccc(Nc3nc(C)cc(C)n3)cc2)c1 170583738 MBBOMNRSUUFZBQ-UHFFFAOYSA-N 346.434 4.706 0 40 EJAB CC[C@H](Oc1cccc(C)c1)C(=O)N[C@H](C)c1ccc(C)c(C)c1 219318194 ABQNJVVFILAILD-XLIONFOSSA-N 325.452 4.647 0 40 EJAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCc1cccc2ccccc12 222892685 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334.437 4.881 0 40 EJAB COc1ccc(/C=C/C(=O)Nc2cccc3ccccc23)c(OC)c1 147356 PFGAEUORCQTVES-ACCUITESSA-N 333.387 4.509 0 40 EJAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1ccccc1Cl 199631 PIPTXUVLIHGUQI-UHFFFAOYSA-N 346.217 4.740 0 40 EJAB O=C(c1ccccc1Cl)N(Cc1ccccc1)Cc1ccco1 257076 STMRQBSGKNUXDC-UHFFFAOYSA-N 325.795 4.776 0 40 EJAB Clc1ccc(OCc2nnc(SCC3CCCCC3)o2)cc1 411424 BIOUGQIMOYRFER-UHFFFAOYSA-N 338.860 4.974 0 40 EJAB Cc1ccccc1C(=O)Nc1cccc(-c2nnc(-c3ccco3)o2)c1 510339 KVRABTAPTINAMU-UHFFFAOYSA-N 345.358 4.557 0 40 EJAB CC(C)COc1ccc(C(=O)Nc2ccccc2N2CCCC2)cc1 568613 DASXJYHTCBDQSL-UHFFFAOYSA-N 338.451 4.574 0 40 EJAB CN1[C@H]2CC[C@@H]1CC(OC1c3ccccc3CCc3ccccc31)C2 1482030 ZWPODSUQWXAZNC-YOFSQIOKSA-N 333.475 4.516 0 40 EJAB in-man COc1ccc(C(=O)CNc2ccccc2Cc2ccccc2)cc1 3261630 XOFNERDHTGHBDU-UHFFFAOYSA-N 331.415 4.581 0 40 EJAB CCCCCCSc1cc(C(N)=O)cc(SCCCC)n1 3850997 PKMQRXUNMVSDEW-UHFFFAOYSA-N 326.531 4.745 0 40 EJAB biogenic CC(C)c1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)cc1 4565827 LGQMYAMNRMSDQN-GFCCVEGCSA-N 338.476 4.900 0 40 EJAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccccc2OC(F)F)c1 5512296 VDNAJUFONGUUSN-UHFFFAOYSA-N 349.377 4.737 0 40 EJAB Cc1ccc(NC(=O)c2cccc(NC(=O)c3cccc(C)c3)c2)cc1 6645938 CJUVZQULJDQPTM-UHFFFAOYSA-N 344.414 4.808 0 40 EJAB CCc1ccccc1NC(=O)COc1ccccc1-c1ccccc1 7724270 GJKVNHUHTHAKQX-UHFFFAOYSA-N 331.415 4.934 0 40 EJAB Cc1nc2cc(NC(=O)CCc3ccc(-c4ccccc4)o3)ccc2o1 8132084 ZKAPFBKCNLAAFR-UHFFFAOYSA-N 346.386 4.968 0 40 EJAB Cc1ccccc1C(=O)N1CCC(c2nc3ccccc3s2)CC1 8586579 NZVAOAXFSZJJNF-UHFFFAOYSA-N 336.460 4.625 0 40 EJAB CCCCSc1nc(=O)c2c3c(sc2[nH]1)-c1ccccc1CC3 9008258 SKEXWFMJYPOCEO-UHFFFAOYSA-N 342.489 4.642 0 40 EJAB O=C(COc1ccc(C2CCCCC2)cc1)Nc1cccc(F)c1 9141601 SMDUNGQZZIZXJN-UHFFFAOYSA-N 327.399 4.891 0 40 EJAB Cc1ccc(-c2ccc(CCC(=O)Nc3ccc(C(=O)O)cc3)o2)cc1 11690425 UPCFBRYAZJHXLN-UHFFFAOYSA-N 349.386 4.525 0 40 EJAB Cc1cccc(COc2ccccc2C(=O)Nc2ccc(F)cc2)c1 12616659 KXMZHNSKAWCCPN-UHFFFAOYSA-N 335.378 4.965 0 40 EJAB COc1ccc(F)cc1CN1CCC[C@H]1c1nc2ccccc2s1 12877731 ZMRKGWNRKOPZFD-INIZCTEOSA-N 342.439 4.781 0 40 EJAB COc1ccc(-c2ccc(CCC(=O)NCc3ccc(C)cc3)o2)cc1 12999329 NPZODEJHDMMKCY-UHFFFAOYSA-N 349.430 4.513 0 40 EJAB CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@@H]1CC=CCC1 13013169 KRSXWCUVPLXNRH-OAQYLSRUSA-N 349.474 4.970 0 40 EJAB Cc1cc(C)c2cc3c(nc2c1)O[C@H](C)CN(Cc1ccccc1)C3 13562926 SRVUXEXRXVWPLI-QGZVFWFLSA-N 332.447 4.635 0 40 EJAB COc1ccc(NC(=O)c2oc3ccccc3c2COC(C)C)cc1 14016269 POZQRJMBAIJVDB-UHFFFAOYSA-N 339.391 4.619 0 40 EJAB CCOc1ccc(-c2cn3c([n+]2-c2ccccc2)CCCCC3)cc1 15974045 RYGOLMQJSCPBKD-UHFFFAOYSA-N 333.455 4.557 0 40 EJAB Cc1csc([C@@H](Cc2ccsc2)NCc2ccc(F)cc2)n1 19240227 NWYPATMIRKSNMQ-MRXNPFEDSA-N 332.469 4.726 0 40 EJAB C[C@H](CC(=O)Nc1ccc(NC(=O)C(C)(C)C)cc1)c1ccccc1 25065973 CMDQRCZXUJZUMU-OAHLLOKOSA-N 338.451 4.804 0 40 EJAB Cc1nn(-c2ccc(NC(=O)c3ccc(F)cc3)cc2)c(C)c1Cl 28573067 CHVPZTBHRRSHSX-UHFFFAOYSA-N 343.789 4.534 0 40 EJAB O=C(Nc1cccnc1)[C@H]1CCCC[C@@H]1c1nc2ccccc2s1 32904765 IAALHLOENOLSNC-GJZGRUSLSA-N 337.448 4.604 0 40 EJAB CCCCCn1c([C@@H](C)NC(=O)c2ccccc2)nc2ccccc21 38139204 VULKUEZRVYZHMP-MRXNPFEDSA-N 335.451 4.718 0 40 EJAB CCc1ccc2nc(C(=O)OC)cc(Nc3ccc(C)c(C)c3)c2c1 38653202 GNHAQULQBBINQO-UHFFFAOYSA-N 334.419 4.944 0 40 EJAB Clc1ccc(OCC[C@H]2CCCNC2)c(Cc2ccccc2)c1 42773733 USYXJFDCWJZBIC-QGZVFWFLSA-N 329.871 4.699 0 40 EJAB Cc1cc(C)c(S(=O)(=O)N[C@@H](CC(C)C)c2ccccc2)c(C)c1 44846647 AEXOFUFSLOSGOQ-IBGZPJMESA-N 345.508 4.678 0 40 EJAB O=C(Nc1cccc(CNCc2cccc(Cl)c2Cl)c1)C1CC1 48332672 XIJYUMHKZZNNNZ-UHFFFAOYSA-N 349.261 4.632 0 40 EJAB CC(C)[C@H](NC(=O)COc1ccc2ccccc2c1)c1ccccc1 67192416 DJXKMJFEBLAKSI-QFIPXVFZSA-N 333.431 4.732 0 40 EJAB C[C@H]1Cc2ccccc2N(C(=O)c2ccc(Oc3cccnc3)cc2)C1 89941441 ZRDWDQRFABINIW-INIZCTEOSA-N 344.414 4.713 0 40 EJAB CC[C@H](C)c1ccc(NC(=O)COC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)cc1 102151280 PMFSHDFIRODOCD-LAQRGFTBSA-N 343.467 4.508 0 40 EJAB COc1ccc(C)c(N(C(=O)OC(C)(C)C)c2cc(C)ccn2)c1 199721293 GIVHVZOMKFOZEV-UHFFFAOYSA-N 328.412 4.780 0 40 EJAB O=C(O)/C(=C/c1c[nH]c2ccccc12)Sc1nc2ccccc2o1 211502894 HTXWZOCPOKOUMD-SXGWCWSVSA-N 336.372 4.527 0 40 EJAB CCOC(=O)/C=C/c1ccc(OCc2ccc(F)cc2)c(Cl)c1 216889506 LKJSSARHZJEFDP-UXBLZVDNSA-N 334.774 4.634 0 40 EJAB Cc1c(N)cccc1-c1nc2cc(Br)cc(Cl)c2[nH]1 216919752 AWRRMHXMQDPYOI-UHFFFAOYSA-N 336.620 4.536 0 40 EJAB Cc1cc(O[C@@H](Cc2ccc(Cl)cc2C)C(=O)O)ccc1Cl 225074462 DUVXVVHFPSNIIW-INIZCTEOSA-N 339.218 4.685 0 40 EJAB CCOc1ccccc1CCCNC(=S)Nc1ccccc1Cl 225394979 IAHJAEWTMUUKOR-UHFFFAOYSA-N 348.899 4.658 0 40 EJAB CCOc1ccc(NC(=S)NC[C@H](CC)Cc2ccccc2)cc1 225630236 FZDWLOGHQYFJFJ-MRXNPFEDSA-N 342.508 4.641 0 40 EJAB Cc1ccc(OC[C@H](C)NC(=S)Nc2ccc(C(C)C)cc2)cc1 225639531 WCANWKTUTWXIFS-INIZCTEOSA-N 342.508 4.872 0 40 EJAB CCOc1ccc(C(=O)N[C@H](CC)c2ccccc2C)cc1Cl 225821050 VNNSFYFGCJASJS-QGZVFWFLSA-N 331.843 4.928 0 40 EJAB CCN1C(=O)/C(=C\c2cc(Cl)c(O)c(Cl)c2)c2ccccc21 409116588 JNCOWUKEGIGAND-GHXNOFRVSA-N 334.202 4.606 0 40 EJAB O=C(NCC1CC(F)(F)C1)[C@H](c1ccccc1)c1ccc(Cl)cc1 615165993 DLSPGUPEWXWZLZ-QGZVFWFLSA-N 349.808 4.633 0 40 EJAB Cc1ccc(C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)cc1 134219 NHXVRUQOFRMFJC-UHFFFAOYSA-N 342.851 4.948 0 40 EJAB O=C(Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1)c1cccnc1 179643 AERAZOCXEWYOSM-UHFFFAOYSA-N 349.777 4.796 0 40 EJAB C[C@@H]1CCCCN1C(=O)[C@@H](Sc1ccccc1)c1ccccc1 1469209 MNBMQBGZQJIBGJ-APWZRJJASA-N 325.477 4.921 0 40 EJAB COc1ccc2c(c1)c(-c1csc(N)n1)c(C)n2Cc1ccccc1 2213479 SCKPUFBMNXVLJZ-UHFFFAOYSA-N 349.459 4.712 0 40 EJAB CCCCSc1nc(CC)nc2sc3c(c12)CC(C)(C)OC3 2326547 KVAGXFMNYUCYHG-UHFFFAOYSA-N 336.526 4.997 0 40 EJAB O=C(CCc1ccc(Br)cc1)c1ccc(F)c(F)c1 2517206 WUDYHGUMMCYDDS-UHFFFAOYSA-N 325.152 4.543 0 40 EJAB Cc1cc2n(n1)[C@H](C(F)(F)C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2 2783390 JIZFPFIDCXNZOD-RYUDHWBXSA-N 349.278 4.626 0 40 EJAB COc1cc(OC)cc(C(=O)Nc2ccccc2Oc2ccccc2)c1 3551878 WQEGWTUPDPRCPV-UHFFFAOYSA-N 349.386 4.748 0 40 EJAB Cc1nn(-c2ccccc2)c2c1-c1nc3ccccc3nc1C(C)(C)C2 4191177 XBYYHNGXUZJXEM-UHFFFAOYSA-N 340.430 4.625 0 40 EJAB C(=C/c1ccccc1)\CN(C/C=C/c1ccccc1)C[C@H]1CCCO1 4699205 CKKCAEVOVWDVFC-IJVSWKGXSA-N 333.475 4.894 0 40 EJAB Cc1cccc(C(=O)OCc2ccc(C(=O)Nc3ccccc3)cc2)c1 5740263 HAHNQXBTTAOEKC-UHFFFAOYSA-N 345.398 4.604 0 40 EJAB CCOc1ccc(N[C@@H](C)C(=O)Nc2ccc3ccccc3c2)cc1 5934569 JDZYKWGHERFORO-HNNXBMFYSA-N 334.419 4.678 0 40 EJAB Cc1cccc2sc(N(Cc3ccccc3)C(=O)C3CCC3)nc12 7724329 WRZMOCXECMYMCS-UHFFFAOYSA-N 336.460 4.938 0 40 EJAB CC[C@H](C)[C@@H](C(=O)Nc1cc(C(=O)OC)ccc1C)c1ccccc1 7801241 XXUXHTOWRUTVMA-IFXJQAMLSA-N 339.435 4.550 0 40 EJAB Cc1ccc(-c2nnc(NC(=O)Nc3cccc(Cl)c3)s2)cc1 8743664 VZEHFOUAENOVMG-UHFFFAOYSA-N 344.827 4.811 0 40 EJAB CCCCC[C@@H](C)NC(=O)c1ccc2nc(-n3cccc3)sc2c1 9575702 ZFTSCINIJYCZHL-CQSZACIVSA-N 341.480 4.786 0 40 EJAB Cc1c(C(=O)NCc2ccccc2OC(F)(F)F)oc2ccccc12 10996138 HYKAUYCPSSGTEB-UHFFFAOYSA-N 349.308 4.570 0 40 EJAB O=C(CCc1ccccc1)Nc1ccc(-n2cnc3ccccc32)cc1 11273699 XZSRDHQDPNYRDV-UHFFFAOYSA-N 341.414 4.597 0 40 EJAB CCn1c(S[C@H](C)c2ccccc2)nnc1-c1ccccc1OC 12785585 CUICWUBQMJNUQG-CQSZACIVSA-N 339.464 4.827 0 40 EJAB COc1ccc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1OC 13606849 GXKPMXKEYHOACC-MDWZMJQESA-N 339.435 4.653 0 40 EJAB CCn1c(SCc2cccc(Cl)c2)nnc1-c1ccccc1 14067544 BLNORFUREFTANZ-UHFFFAOYSA-N 329.856 4.911 0 40 EJAB c1ccc2[nH]c(Cc3ccc(Cc4nc5ccccc5[nH]4)cc3)nc2c1 14983469 CSHYNPNXPKARNP-UHFFFAOYSA-N 338.414 4.621 0 40 EJAB COc1cccc(-n2ccnc2SCc2cccc3cccnc23)c1 22886346 SJKICMIOOSDVAZ-UHFFFAOYSA-N 347.443 4.721 0 40 EJAB C[C@H](c1ccccc1)N(C)C(=O)c1ccc(COc2ccccc2)o1 25613982 PCRHAMNFDKZCRT-MRXNPFEDSA-N 335.403 4.692 0 40 EJAB COCc1ccccc1CNC(=O)N[C@@H](C)c1ccc2ccccc2c1 26389479 LCKFHNBODOIFJV-INIZCTEOSA-N 348.446 4.547 0 40 EJAB O=C(Nc1ccc(/C=C/CC(=O)c2ccco2)cc1)c1ccccc1 44932666 KAYQDVAPPHGIPN-GQCTYLIASA-N 331.371 4.818 0 40 EJAB O=C(Nc1ccccc1COc1ccccc1)c1ccc2c(c1)COC2 64394718 KVEKBSUKVUHFKN-UHFFFAOYSA-N 345.398 4.548 0 40 EJAB COc1ccc(-n2c(C)nnc2SCc2ccccc2Cl)cc1 75340563 ZWHCTEREOXAXHR-UHFFFAOYSA-N 345.855 4.530 0 40 EJAB CC[C@H](N[C@H](C)c1ccc(Br)s1)c1ccncc1 95423136 ZGNREPSBZXWIQI-PWSUYJOCSA-N 325.275 4.708 0 40 EJAB C[C@@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 222940225 VFAAXGKVMIUDBG-CQSZACIVSA-N 327.855 4.639 0 40 EJAB S=C(NCCCc1ccc(Cl)cc1)Nc1ccccc1Cl 225543023 NSEOPBULTDPZJJ-UHFFFAOYSA-N 339.291 4.913 0 40 EJAB COc1ccc(NC(=S)NC2(c3ccc(C)cc3)CCCC2)cc1 225847154 VAEVQHDGGQKFEZ-UHFFFAOYSA-N 340.492 4.760 0 40 EJAB COc1ccc(C(C)(C)C)cc1NC(=O)c1cccc2cnccc12 608581146 YHTUHWKFGFYMLT-UHFFFAOYSA-N 334.419 4.793 0 40 EJAB CCOc1ccccc1C(=O)NCc1cc(-c2ccsc2)cs1 1775970052 YTXLHICJKGYNJY-UHFFFAOYSA-N 343.473 4.805 0 40 EJAB Clc1nc2ccccc2nc1-c1ccc(Br)s1 160640 FCAARIDXUAAZLX-UHFFFAOYSA-N 325.618 4.774 0 40 EJAB O=C1CSc2c(nc3ccc(Cl)cc3c2-c2ccccc2)O1 526330 DGAMGLCCNHXXHB-UHFFFAOYSA-N 327.792 4.566 0 40 EJAB O=C(Cc1cccc(F)c1)Nc1ccc(OCc2ccccc2)cc1 2632324 CABWLKGWJJACMT-UHFFFAOYSA-N 335.378 4.586 0 40 EJAB Cc1[nH]c2ccccc2c1SCC(=O)N1CCCc2ccccc21 2718321 GERJLWAXQAEOJQ-UHFFFAOYSA-N 336.460 4.548 0 40 EJAB COc1ccccc1NC(=O)[C@@H](C)Nc1ccc(-c2ccccc2)cc1 3353495 LWTVPCXESOUFEX-MRXNPFEDSA-N 346.430 4.801 0 40 EJAB CCCCOc1ccc(C(=O)Nc2cc(F)ccc2C)cc1OC 3456193 BCGHYSZNXWXILW-UHFFFAOYSA-N 331.387 4.574 0 40 EJAB CCOc1ccc(C(C)=O)cc1CSc1ncnc2ccccc12 3515281 CFTFRBUKYXFODE-UHFFFAOYSA-N 338.432 4.523 0 40 EJAB c1coc(CN(Cc2ccco2)c2ncnc3c2oc2ccccc23)c1 4018929 UGLSWGHFSGAXQI-UHFFFAOYSA-N 345.358 4.769 0 40 EJAB CC(=O)c1sc(NC(=O)c2ccccc2C)nc1-c1ccccc1 4070021 HFALOGCIMNDJED-UHFFFAOYSA-N 336.416 4.573 0 40 EJAB COc1ccccc1-n1cnnc1S[C@H](C)c1ccccc1Cl 6534843 PBQLZNHHYJRVRD-GFCCVEGCSA-N 345.855 4.783 0 40 EJAB Cc1ccc(NC(=S)NCc2ccccc2Cl)cc1Cl 7571276 INWWEWZFQIUBTQ-UHFFFAOYSA-N 325.264 4.788 0 40 EJAB CC(C)c1ccc(C(=O)CSc2nnc(C3CC3)n2C2CC2)cc1 7904905 WZQKYBXNTFRGBC-UHFFFAOYSA-N 341.480 4.589 0 40 EJAB CCCCNc1nnc(SCc2ncc(-c3ccccc3)o2)s1 7974696 QFLXMARGVYQVCK-UHFFFAOYSA-N 346.481 4.697 0 40 EJAB O=C(Cc1noc2ccccc12)Nc1ccc(Oc2ccccc2)cc1 8007885 PQLQJJVFQJXKTA-UHFFFAOYSA-N 344.370 4.801 0 40 EJAB Cc1cccc(C(=O)N2CCc3sccc3[C@@H]2c2ccccc2)c1 8115195 IWTYHRULZKDDRU-FQEVSTJZSA-N 333.456 4.844 0 40 EJAB COc1cccc(CNCc2ccccc2)c1OCc1ccccc1 8495528 FTKXFFSISLDQRE-UHFFFAOYSA-N 333.431 4.564 0 40 EJAB CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(OC(C)C)cc1 8569181 OKBZYXDEIMKQAL-SFHVURJKSA-N 327.424 4.578 0 40 EJAB Cc1cc(Nc2cccc(C(=O)O)c2)nc(-c2ccc(Cl)cc2)n1 8702978 OVHVRNKWWLZHKZ-UHFFFAOYSA-N 339.782 4.547 0 40 EJAB CC(=O)c1c(C)[nH]c(C(=O)c2oc3ccc(Cl)cc3c2C)c1C 12972454 UCQNMEBTKKZWBY-UHFFFAOYSA-N 329.783 4.773 0 40 EJAB C[C@@H](NC(=O)c1cc2ccccc2o1)c1ccc(OC(F)F)cc1 12998934 KRTCBKVIFCEMSH-LLVKDONJSA-N 331.318 4.525 0 40 EJAB CC(C)c1ccc(NC(=O)[C@@H](C)N(C)Cc2ccc(Cl)cc2)cc1 13041212 WUGZGVHGHSVDEZ-OAHLLOKOSA-N 344.886 4.922 0 40 EJAB Nc1ccccc1/C=C/c1cc(/C=C/c2ccccc2)c(N)cc1N 13402361 DDUKLWGPDOXUEL-AQASXUMVSA-N 327.431 4.774 0 40 EJAB CN(Cc1ccccn1)C(=O)N1c2ccccc2Sc2ccccc21 13574380 XGRGSCJCTGCHNO-UHFFFAOYSA-N 347.443 4.936 0 40 EJAB CCOc1ccc(NC(=S)N[C@@H](C)c2ccc(C)c(C)c2)cc1 13930910 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CCCCOC(=O)c1ccc2cc(C(=O)OCCCC)ccc2c1 79185372 PCFNKFGGJYQMTR-UHFFFAOYSA-N 328.408 4.754 0 40 EJAB CC(=O)Nc1c(C)cc(NC(=O)N2CCCC[C@@H]2CC(C)C)cc1C 84086152 SAGSTMKDSKRIKV-GOSISDBHSA-N 345.487 4.694 0 40 EJAB O=C(c1cc(F)cc2cccnc12)N(Cc1ccco1)C1CCCC1 95453345 KCBKTUSKALCSRG-UHFFFAOYSA-N 338.382 4.552 0 40 EJAB Cc1cccc(CSCC(=O)N[C@@H](C)c2ccc(C)c(C)c2)c1 222745892 HKRXCYBFZGMIMY-KRWDZBQOSA-N 327.493 4.722 0 40 EJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cccc(C)c1C 224307238 CXLYWMFCZYCZTH-OAQYLSRUSA-N 337.463 4.978 0 40 EJAB CC[C@@H](CNC(=S)Nc1ccc(C)cc1C)Cc1ccccc1 225629295 WGOBOPXEUHVTTR-QGZVFWFLSA-N 326.509 4.859 0 40 EJAB Cc1ccc2c(c1)[C@@H](NC(=O)c1cc(C)c(C)cc1C)CC(C)(C)O2 225650400 ZSXVVCCDDDDCJI-IBGZPJMESA-N 337.463 4.952 0 40 EJAB COCc1ccc([C@@H]2CCCN2[C@@H](C)c2ncc(C(C)(C)C)o2)o1 248599802 BWYMMIASFOEPAU-ZFWWWQNUSA-N 332.444 4.610 0 40 EJAB CCCCOc1ccc(Cl)cc1C(=O)Nc1ccc(OC)cc1 408585629 GQTRASPBRUXPIL-UHFFFAOYSA-N 333.815 4.780 0 40 EJAB CSc1ccccc1C(=O)NC[C@H](c1ccsc1)c1ccco1 618257522 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CCN1C(=O)S/C(=C/c2ccc(-c3ccccc3Cl)o2)C1=O 5552295 PRVZHNZKLKXIJY-NTEUORMPSA-N 333.796 4.656 0 40 EJAB Cc1cc(C(=O)COC(=O)c2c(F)cccc2Cl)c(C)c(C)c1C 5872185 IAXPKEONNGLUEE-UHFFFAOYSA-N 348.801 4.752 0 40 EJAB CCCCOc1ccc(C(=O)Nc2ccc(F)cc2)cc1OCC 6656696 JSGWBWRXDUZJMZ-UHFFFAOYSA-N 331.387 4.656 0 40 EJAB CCCCOc1ccc(C(=O)Nc2ccccc2F)cc1OCC 8289030 ZHAMMDQMMKIUHJ-UHFFFAOYSA-N 331.387 4.656 0 40 EJAB Cc1ccc(NC(=O)CCc2ncc(-c3ccccc3)o2)cc1Cl 10408703 RTTPAEOGWIUDHI-UHFFFAOYSA-N 340.810 4.875 0 40 EJAB Cc1ccccc1NC(=O)[C@H](C)N(C)Cc1ccc2ccccc2c1 12992652 FJLKKRPPIISOIZ-KRWDZBQOSA-N 332.447 4.607 0 40 EJAB COC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2Br)o1 20160502 PEZAFFOMBLTHJC-QPJJXVBHSA-N 341.588 4.549 0 40 EJAB Cc1ccc(Nc2nn(-c3ccccc3)c3c2C(=O)C[C@@H](C)C3)cc1C 20671997 GKEXORZLURFNDQ-AWEZNQCLSA-N 345.446 4.998 0 40 EJAB CCOc1ccc(C(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1C 22538100 RNEFPGGSLKUSKL-QGZVFWFLSA-N 325.452 4.810 0 40 EJAB CCCOc1ccccc1NC(=O)c1cc(-c2cccc(F)c2)no1 32922809 YCUKGPGBJPWWCT-UHFFFAOYSA-N 340.354 4.522 0 40 EJAB Cc1cccc(C(C)C)c1NC(=O)Cc1c(C)nn(CC(C)C)c1C 39994077 SKNVNWKYXXLFAT-UHFFFAOYSA-N 341.499 4.769 0 40 EJAB Cc1cc(N(C)C)ccc1NC(=O)Cc1ccc(Cl)c(Cl)c1 40106880 MHVZIPXZFZCHHI-UHFFFAOYSA-N 337.250 4.549 0 40 EJAB COC(=O)Cc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1 41127160 HGSMRVSKDVQZLJ-UHFFFAOYSA-N 336.174 4.517 0 40 EJAB CCCN(Cc1ccsc1)C(=O)Nc1cc(Cl)ccc1OC 44447410 TUIMODCDCKCALW-UHFFFAOYSA-N 338.860 4.854 0 40 EJAB CC(C)(C)c1ncc(NC(=O)c2cc3c(ccc4ccccc43)[nH]2)cn1 63817954 QKCUZGSTVQEAFL-UHFFFAOYSA-N 344.418 4.661 0 40 EJAB CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1CC 72215212 QMLMGOLARUOWJV-RDJZCZTQSA-N 347.503 4.778 0 40 EJAB CCc1ccc([C@@H]2CCCCCN2C(=O)Cc2cccc(F)c2)o1 78850058 FMWZSNYLDXHZLS-SFHVURJKSA-N 329.415 4.668 0 40 EJAB CO[C@H](C)c1cccc(NC(=O)N2CC=C(c3cccs3)CC2)c1 96410635 RRAXNSOLLZQJHR-CQSZACIVSA-N 342.464 4.777 0 40 EJAB CCCCCCNC(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1 98073346 DBAMJYHQPJPENI-KRWDZBQOSA-N 337.463 4.718 0 40 EJAB CCOC(=O)c1ccc(C)c(NC(=O)c2ccccc2SCC)c1 219647308 FPYHFFWSWQSBFT-UHFFFAOYSA-N 343.448 4.536 0 40 EJAB CCCC[C@H](CC)CNC(=O)[C@H](CC)Oc1cccc(Cl)c1 224444047 YPIHHFKFXGCEGJ-YOEHRIQHSA-N 325.880 4.830 0 40 EJAB CCCCOc1ccc(NC(=O)[C@@]2(OCC)CCC[C@@H](C)C2)cc1 225712939 FNZLKBILJXGZRL-OXQOHEQNSA-N 333.472 4.789 0 40 EJAB CCO[C@@]1(C(=O)Nc2ccc(OCC(C)C)c(C)c2)CCC[C@H](C)C1 225717579 IVYSWUXVEJZVJC-KKSFZXQISA-N 347.499 4.954 0 40 EJAB NC(=O)c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1 226325418 STNFATSRRUVGCT-UHFFFAOYSA-N 346.213 4.825 0 40 EJAB CCOc1ccc(NCc2cc(Cl)c(OCC)c(OC)c2)cc1 237021297 IQXCCZYUZCYUHC-UHFFFAOYSA-N 335.831 4.758 0 40 EJAB C[C@H](CCc1ccccc1)NC(=O)CSCc1ccc(Cl)cc1 408577357 ZYVNCWVQBSCRBN-OAHLLOKOSA-N 347.911 4.711 0 40 EJAB O=C(CSCc1c(Cl)cccc1Cl)N1CCCCCC1 409166026 CBNDILCZTLWCNM-UHFFFAOYSA-N 332.296 4.629 0 40 EJAB Cc1cc(C2CCCCC2)oc1C(=O)Nc1ccc(CC(=O)O)cc1 409196443 VOSBMLRIHGVYCJ-UHFFFAOYSA-N 341.407 4.515 0 40 EJAB COC(=O)c1sc2ccccc2c1NC(=O)c1ccc(Cl)cc1 190384 LBYYTIPYNGGZMI-UHFFFAOYSA-N 345.807 4.594 0 40 EJAB O=C(O)c1ccccc1SCc1csc(-c2ccccc2)n1 3235432 XYEXJJDMMULNNX-UHFFFAOYSA-N 327.430 4.801 0 40 EJAB Cc1ccc(C2=N/C(=C\c3ccc(Cl)cc3Cl)C(=O)O2)cc1 4588613 UVGMRHUZAGZHHY-NVNXTCNLSA-N 332.186 4.646 0 40 EJAB Cc1nc(SCC(=O)c2ccccc2)c2oc3ccccc3c2n1 5149463 XKDBFJXHMDNLLN-UHFFFAOYSA-N 334.400 4.659 0 40 EJAB CCc1cc(=O)oc2cc(OCc3ccc(C)cc3)c(Cl)cc12 5548218 LQVAFRHDNPCTGL-UHFFFAOYSA-N 328.795 4.896 0 40 EJAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1cc(F)cc(F)c1 7608266 FOYNKLIJGBECBG-UHFFFAOYSA-N 339.341 4.796 0 40 EJAB Cc1noc(C)c1C(=O)Nc1ccc(-c2cc3ccccc3o2)cc1 8311926 OLPJLRKAQRNOGV-UHFFFAOYSA-N 332.359 4.957 0 40 EJAB O=C(c1ccccc1F)N1CCc2sccc2[C@H]1c1ccccc1 8326327 QRVGMQMCQDCBBP-LJQANCHMSA-N 337.419 4.675 0 40 EJAB c1ccc(CSc2nnc(C34CC5CC(CC(C5)C3)C4)o2)cc1 8410020 REPNZJPUFJDRDP-UHFFFAOYSA-N 326.465 4.830 0 40 EJAB O=C1c2ccccc2[C@@H](c2c[nH]c3ccccc23)N1Cc1ccccc1 9355387 GTYGWNAYRWXKEQ-QFIPXVFZSA-N 338.410 4.913 0 40 EJAB CCc1ccc(NC(=O)Cc2csc(-c3ccsc3)n2)cc1 12748366 XMTOPXATBOUISW-UHFFFAOYSA-N 328.462 4.615 0 40 EJAB Cc1nc(-c2ccc(CNC(=O)c3cccc(Cl)c3)s2)cs1 12894987 SBEBOTJFBKQQKG-UHFFFAOYSA-N 348.880 4.763 0 40 EJAB O=C(c1cccs1)N1N=C(c2ccco2)C[C@@H]1c1ccc(Cl)o1 13128640 LLELVOVALAAKGU-LLVKDONJSA-N 346.795 4.579 0 40 EJAB CC(C)c1ccc2nc3c(cc2c1)CN(Cc1ccccc1)CCO3 13563742 NNNUSSJGKGEQBD-UHFFFAOYSA-N 332.447 4.753 0 40 EJAB Cc1ccccc1C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 13668606 XWRIUDLCRCKARG-UHFFFAOYSA-N 349.405 4.643 0 40 EJAB CCCCOc1ccc(NC(=O)c2ccccc2F)c2cccnc12 15841140 FXDCOYATFCBSEK-UHFFFAOYSA-N 338.382 4.805 0 40 EJAB C[C@@H](c1ccccc1)n1c(S)nnc1CSCc1ccccc1 17071477 YVSVSHCBILHZFQ-AWEZNQCLSA-N 341.505 4.610 0 40 EJAB CN(Cc1cccc(Cl)c1Cl)C(=O)Nc1ccc(F)cc1 18173504 YDUSYOJRKVKNTJ-UHFFFAOYSA-N 327.186 4.796 0 40 EJAB Cc1nc(Nc2ccc(F)cc2)sc1C(=O)NC1CCCCCC1 22245671 HCIIPVZHTRPOLU-UHFFFAOYSA-N 347.459 4.787 0 40 EJAB C[C@@H](Sc1ccc(F)c(F)c1)C(=O)Nc1cccc2ncccc12 26837984 YPVRZKFYHYUOHF-LLVKDONJSA-N 344.386 4.632 0 40 EJAB O[C@@H](COc1ccc(Cl)cc1)CSc1ccc(Cl)cc1 28292813 BALSDPGBDPKTOH-ZDUSSCGKSA-N 329.248 4.525 0 40 EJAB CCCc1cc(C(=O)Nc2cc3oc4ccccc4c3cc2OC)[nH]n1 30027943 OSXIQGXARSEDPK-UHFFFAOYSA-N 349.390 4.523 0 40 EJAB O=C(Cc1c[nH]c2ccccc12)Nc1cc(Cl)cc2cccnc12 32753682 SRPOPDXGMCBLMZ-UHFFFAOYSA-N 335.794 4.551 0 40 EJAB O=C(c1csc(-c2cccs2)n1)N1CCC[C@H]1c1ccsc1 40107736 UQKGLBCJFZDEKL-ZDUSSCGKSA-N 346.502 4.910 0 40 EJAB CCOc1cccc(/C=C(\Cl)c2nc(O)c3cccc(C)c3n2)c1 44026171 ONTFRUDTRHPESY-WJDWOHSUSA-N 340.810 4.779 0 40 EJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H]1CCCc2ccccc21 44903853 ZCWPEJVEPUOPAI-OALUTQOASA-N 343.854 4.691 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)c2ccc(Br)cc2)cc1C 59351091 QNSCUCSZYVNPAJ-CYBMUJFWSA-N 332.241 4.557 0 40 EJAB COc1ccc(C2=N[C@H](c3ccco3)N=C(c3ccccc3)S2)cc1 59488726 BUIUQNAIUQASJR-GOSISDBHSA-N 348.427 4.927 0 40 EJAB CCCC(=O)Nc1cc(C)c(O)c(-c2nc3cc(CC)ccc3o2)c1 70462016 UIYOJBLDAYQOKC-UHFFFAOYSA-N 338.407 4.810 0 40 EJAB Fc1cccc(-c2cccc([C@@H]3CCCN(Cc4ccccn4)C3)n2)c1 72348926 KBLNUCCYFBCFJU-GOSISDBHSA-N 347.437 4.662 0 40 EJAB C[C@@H](COc1ccc(Cl)cc1)NC(=O)c1ccc(C(C)(C)C)cc1 80345928 FZFAMMCGYJJVLD-AWEZNQCLSA-N 345.870 4.835 0 40 EJAB C[C@@H](NC(=S)N1CCCCC[C@H]1c1ccncc1)c1ccccc1 84656614 CZZPYZOVVLHTPW-APWZRJJASA-N 339.508 4.634 0 40 EJAB Cc1ccc(CSCC(=O)N[C@H](C)c2cc(C)ccc2C)cc1 113934962 PZIQIIWBVQPWRX-QGZVFWFLSA-N 327.493 4.722 0 40 EJAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H](C)c1ccc(C)cc1 113970658 SMNGODIKVDTTKE-KXBFYZLASA-N 345.870 4.992 0 40 EJAB O=C(O)[C@H](Cc1ccc(Cl)cc1)Sc1ccc(Cl)cc1 225062074 NTKVBUORQIBWHU-AWEZNQCLSA-N 327.232 4.781 0 40 EJAB Cc1ccccc1O[C@@H](Cc1ccccc1Oc1ccccc1)C(=O)O 225138228 ZHZPMYXCJSULLR-NRFANRHFSA-N 348.398 4.862 0 40 EJAB Cc1ccccc1CSCCCNC(=S)Nc1ccccc1F 225600421 XENHPCBCTKNUMZ-UHFFFAOYSA-N 348.512 4.744 0 40 EJAB CNc1cc(C)c2oc(-c3ccc(OC)c(Br)c3)nc2c1 226272072 DRSJHXSKJVVRJF-UHFFFAOYSA-N 347.212 4.616 0 40 EJAB C[C@H](O)c1cc(NCc2cc(-c3ccc(Cl)cc3)no2)ccc1F 585085644 RKVKWPVYFHIZIB-NSHDSACASA-N 346.789 4.800 0 40 EJAB Cc1cc(Cl)ccc1OCC(=O)Oc1cccc2ccccc12 38481 GJGVTTZTPPVLJD-UHFFFAOYSA-N 326.779 4.786 0 40 EJAB Cc1cc(C)c(NC(=O)/C(Br)=C/c2ccccc2)c(C)c1 113571 KBXSKRPAKISMPB-WJDWOHSUSA-N 344.252 4.986 0 40 EJAB S=C(Nc1cccnc1)Nc1cc(Cl)c(Cl)cc1Cl 119202 XAKKINSGUUHRKW-UHFFFAOYSA-N 332.643 4.851 0 40 EJAB Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)NC3CCCC3)cc12 205066 WECGKMIPNRPKBS-UHFFFAOYSA-N 346.474 4.979 0 40 EJAB Cc1cc(C)c2nc(SCC(=O)N3CCCC[C@@H]3C)c(C)cc2c1 412483 OEKAMVXGFZFQSG-INIZCTEOSA-N 342.508 4.653 0 40 EJAB Clc1ccc(-c2csc(Nc3ccc4c(c3)OCO4)n2)cc1 440688 HOTWNGAQTMQYHJ-UHFFFAOYSA-N 330.796 4.936 0 40 EJAB O=C(Nc1nccs1)c1ccc(-c2nc3ccccc3s2)s1 538088 XYMHPBZBUXQNOL-UHFFFAOYSA-N 343.458 4.734 0 40 EJAB Clc1ccc([C@H](CCNC[C@H]2CCCO2)Cc2ccccc2)cc1 2360432 OQGCDSXZUITRFQ-TZIWHRDSSA-N 343.898 4.825 0 40 EJAB O=C(Oc1ccccc1)c1cc(-c2ccccc2)nn1-c1ccccc1 3353965 OYJSUVHHTVQUGS-UHFFFAOYSA-N 340.382 4.759 0 40 EJAB O=C(Cc1ccsc1)Nc1nc(-c2ccc(Cl)s2)cs1 3354400 KIPJYAFNEQBNPM-UHFFFAOYSA-N 340.882 4.768 0 40 EJAB O=C(Cc1ccccc1Cl)Nc1nc(-c2ccc(F)cc2)cs1 3483507 QKMANFIXYRFLBD-UHFFFAOYSA-N 346.814 4.784 0 40 EJAB COCCC1=Nc2ccccc2C(c2ccccc2)(c2ccccc2)N1 4743204 RVNWQIAOKSQKHV-UHFFFAOYSA-N 342.442 4.648 0 40 EJAB CSc1ccc2nc(NC(=O)c3ccc(Cl)cc3)sc2c1 5299082 CVHJQNNDXRRRCY-UHFFFAOYSA-N 334.853 4.924 0 40 EJAB Cc1csc(SCC(=O)Nc2ccccc2-c2ccccc2)n1 6934750 YMHMOJFLCAGWGF-UHFFFAOYSA-N 340.473 4.849 0 40 EJAB CCOC(=O)c1ccc(-c2ccc(CN[C@H](C)c3ccccc3)o2)cc1 7519763 LURVNKLWPQGTRF-MRXNPFEDSA-N 349.430 4.974 0 40 EJAB Cc1ccc(Cl)c(OCC(=O)N[C@H](C)c2cc3ccccc3o2)c1 8238695 AIKGCSYKGZVRAY-CYBMUJFWSA-N 343.810 4.651 0 40 EJAB Cc1ccc(-c2noc(CCCC(=O)Nc3ccc(C)cc3C)n2)cc1 9196465 MGYWOIRFMCUDDH-UHFFFAOYSA-N 349.434 4.623 0 40 EJAB O=C(CCSc1ccc(Cl)cc1)NCCCc1ccccc1 10110170 BIWABGCCUUYNDZ-UHFFFAOYSA-N 333.884 4.571 0 40 EJAB O=C1C[C@@H](c2ccc(OCCc3ccccc3)cc2)c2sccc2N1 12376332 BLMBMTFPBYLALW-SFHVURJKSA-N 349.455 4.844 0 40 EJAB C[C@H](c1ccc(F)cc1)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 12794932 KWZMIUFGBPPYSM-GFCCVEGCSA-N 345.805 4.722 0 40 EJAB CCOc1cc2c(cc1NC(=O)C[C@@H](C)c1ccccc1)O[C@@H](C)C2 13002456 OLZUBEUCGXMDNV-CABCVRRESA-N 339.435 4.541 0 40 EJAB CCCCCCc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 16638447 VEXNYJODNBOGFG-UHFFFAOYSA-N 331.481 4.919 0 40 EJAB CC[C@H](C)c1ccccc1O[C@H](CC)C(=O)Nc1cc(N)ccc1F 19736798 QOMYZJZKWZAJTE-SCLBCKFNSA-N 344.430 4.718 0 40 EJAB Cc1ccccc1CSc1nc2c(-c3ccccc3)c[nH]c2c(=O)[nH]1 21883811 ITJSOAREMPCVOP-UHFFFAOYSA-N 347.443 4.519 0 40 EJAB COc1cccc(Nc2c(C)c(C)nc3c(-c4ccccc4)cnn23)c1 27586184 RRQFQAGVNBQJFD-UHFFFAOYSA-N 344.418 4.765 0 40 EJAB COCc1cccc(NC(=O)c2cccc(OCc3ccccc3)c2)c1 29143862 JCHAZZCCTPMFLR-UHFFFAOYSA-N 347.414 4.664 0 40 EJAB CC(C)(C)c1ccc(O)c(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)c1 29769626 ASCKWMPNEOVZJB-HZPDHXFCSA-N 327.399 4.571 0 40 EJAB Cc1ccc(CC(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)cc1 38771720 MXUUXYGAGBXANF-HSZRJFAPSA-N 329.443 4.752 0 40 EJAB O=C(Nc1ccc(OCc2cccc3cccnc23)cc1)c1ccco1 54149264 MHSFMIJSARZMGW-UHFFFAOYSA-N 344.370 4.659 0 40 EJAB COc1ccc(NCc2ncc(-c3ccc(Cl)cc3)o2)cc1F 55860991 YYJSHKKXZFDLJU-UHFFFAOYSA-N 332.762 4.755 0 40 EJAB Cc1ccc(OCc2nnc(SCc3cccc(C)c3)o2)cc1 71875399 NCBMOOUCCQNVDF-UHFFFAOYSA-N 326.421 4.558 0 40 EJAB C[C@H]1CCCCN1c1cc(NC(=O)c2ccccc2)c(Cl)cc1N 72229062 HLCIADWGAKTTFG-ZDUSSCGKSA-N 343.858 4.553 0 40 EJAB Clc1ccccc1OCc1nnc(SCc2ccccc2)o1 75336231 SVYQZYYFZLFNDB-UHFFFAOYSA-N 332.812 4.594 0 40 EJAB CC(=O)Nc1c(C)cc(NC(=O)N2CCCC[C@H]2CC(C)C)cc1C 84086153 SAGSTMKDSKRIKV-SFHVURJKSA-N 345.487 4.694 0 40 EJAB CC(C)n1ccnc1CN[C@@H](c1ccc(F)cc1)c1cccs1 95411944 CDCIJCSDOOYMAP-SFHVURJKSA-N 329.444 4.544 0 40 EJAB CCCCCc1nnc(NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)s1 107835001 SFMMYLUGWZEKAG-MNOVXSKESA-N 349.422 4.578 0 40 EJAB Cc1cc(C)cc(C(=O)N2CCS[C@@H](c3ccccc3)CC2)c1 211140447 WWEBIKKPONXIHW-LJQANCHMSA-N 325.477 4.624 0 40 EJAB Cc1cccc(CSCC(=O)NCCCc2ccc(Cl)cc2)c1 222741310 NXZRPUGNMBFNOA-UHFFFAOYSA-N 347.911 4.631 0 40 EJAB Cc1ccc([C@H](NC(=S)Nc2cc(C)ccn2)c2ccccc2)cc1 225512720 UYVNGUQVYLAWSU-HXUWFJFHSA-N 347.487 4.774 0 40 EJAB Cc1ccc(CSCC(=O)Nc2cccc(OC(C)C)c2)cc1 408563255 KQAXEUBQMNTARS-UHFFFAOYSA-N 329.465 4.654 0 40 EJAB CC1(C)CC[C@@H](NC(=O)CCc2cncs2)[C@@H](c2ccccc2)C1 1536452618 XEKMKJZNWPOJIH-QZTJIDSGSA-N 342.508 4.554 0 40 EJAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)C(=O)[C@H](C)C[C@H]32)C1 2049238286 CEDMTUMXNJENDO-WFHRNXCMSA-N 344.495 4.696 0 40 EJAB CC(=O)Nc1cc(-c2ccc(C)cc2)nn1Cc1ccc(Cl)cc1 326931 SEFBSJACIGXLOX-UHFFFAOYSA-N 339.826 4.519 0 40 EJAB O=C1/C(=C\c2ccccc2F)N=C(c2ccccc2)N1c1ccccc1 340652 CBAINSDDWHHXCC-HMMYKYKNSA-N 342.373 4.660 0 40 EJAB O=C(COc1ncnc2sc(-c3ccccc3)cc12)c1ccccc1 3547844 WDMKLRHBHRDJBB-UHFFFAOYSA-N 346.411 4.620 0 40 EJAB CCCCC[C@H]1[C@H](CC(=O)OC)CC[C@@H]1OC(=O)Nc1ccccc1 4024236 AUTCMLIZMUTLIQ-SZMVWBNQSA-N 347.455 4.773 0 40 EJAB Cn1cc([C@@H]2c3ccccc3C(=O)N2Cc2ccco2)c2ccccc21 4747641 UYYRJGNZXLHARY-NRFANRHFSA-N 342.398 4.517 0 40 EJAB Cc1c(C(=O)Oc2cccc3cccnc23)oc2c1C(=O)CC(C)(C)C2 5271599 RJOXTHCEYXFSJJ-UHFFFAOYSA-N 349.386 4.511 0 40 EJAB COc1cccc(CC(=O)Nc2ccc(Oc3ccccc3)cc2)c1 6945252 XZGGLPXLKBJHBH-UHFFFAOYSA-N 333.387 4.669 0 40 EJAB CC[C@H](NC(=O)Nc1ccccc1)c1ccc(Br)cc1 9602543 PHHQNQUCRAQKIF-HNNXBMFYSA-N 333.229 4.722 0 40 EJAB Cc1ccc(CNC(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)cc1F 10206308 ONBFMVWXLFPZIU-GOSISDBHSA-N 346.833 4.738 0 40 EJAB COc1ccc2oc(-c3csc(NC(=O)C(C)(C)C)n3)cc2c1 10883119 CPKDUWOGQNMTTB-UHFFFAOYSA-N 330.409 4.550 0 40 EJAB Clc1ccc(CN2COc3c(ccc4cccnc34)C2)c(Cl)c1 13207934 GTIFKMAJZXBZOW-UHFFFAOYSA-N 345.229 4.894 0 40 EJAB Fc1ccc(CCNCc2ccccc2OCc2ccccc2)cc1 16480781 LGTWLMDCGUTOMQ-UHFFFAOYSA-N 335.422 4.737 0 40 EJAB CC(C)Oc1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 17446745 RHLPPRCXOHPVBM-UHFFFAOYSA-N 346.430 4.712 0 40 EJAB Cc1[nH]c2ccc(C(=O)N[C@H](C)c3cccc(Cl)c3)cc2c1C 17908449 OQLZERBUSCSRMX-CYBMUJFWSA-N 326.827 4.929 0 40 EJAB COc1ccccc1NC(=O)NC(c1ccccc1)c1ccccc1 18175146 GHCFQYABPDIQCK-UHFFFAOYSA-N 332.403 4.606 0 40 EJAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(Cl)c(N)c1 19736540 WAEGDHOLAIYUFJ-GFCCVEGCSA-N 346.858 4.626 0 40 EJAB CC(=O)c1ccccc1NC(=O)c1cccnc1SC1CCCC1 40156645 NMLGSRJHTYZFCI-UHFFFAOYSA-N 340.448 4.571 0 40 EJAB COc1ccc(-c2nc3ccc(F)cc3s2)cc1Br 45920044 CTBNAFXWBNWIAX-UHFFFAOYSA-N 338.201 4.874 0 40 EJAB Clc1ccccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 59143340 QEFPGHOPTIWXSN-UHFFFAOYSA-N 330.778 4.980 0 40 EJAB Cc1cc(C(=O)N(c2nc3ccccc3s2)c2ccccc2C)on1 61046993 UTKZBAIAJBVINV-UHFFFAOYSA-N 349.415 4.880 0 40 EJAB O=C(C[C@@H]1OC(=O)c2ccccc21)Nc1ccccc1-c1cccs1 78276244 RHWUKUXEMCRWRZ-KRWDZBQOSA-N 349.411 4.655 0 40 EJAB O=C(Nc1ccccc1Br)c1cccc2c1CCCC2 98073105 QJSIOYMFCKVTPU-UHFFFAOYSA-N 330.225 4.580 0 40 EJAB Cc1cc(Cl)ccc1OCCCC(=O)N[C@@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2 102234217 IZTFTQNBTGOQST-LHHMISFZSA-N 349.902 4.748 0 40 EJAB Cc1cc(C)cc(NC(=O)CSCc2ccc(Cl)cc2F)c1 224370263 YMQKLLQDACTCBB-UHFFFAOYSA-N 337.847 4.968 0 40 EJAB CC(C)n1c(=O)sc2cc(NC(=O)c3cccc(Cl)c3)ccc21 225129632 KCQJCOIIEDYKIZ-UHFFFAOYSA-N 346.839 4.550 0 40 EJAB O=C(CCc1c(Cl)cccc1Cl)NCCSC1CCCC1 225365716 VHFXVTNEKCCZBZ-UHFFFAOYSA-N 346.323 4.718 0 40 EJAB CCOc1ccc(CCCNC(=S)Nc2ccc(C)cc2C)cc1 225621241 WXMXMVPWHLCMOQ-UHFFFAOYSA-N 342.508 4.621 0 40 EJAB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCC)c2ncccc12 225887235 AQGFIDDQYFHQAX-HXUWFJFHSA-N 344.455 4.557 0 40 EJAB Cc1ccccc1-n1nc(C(=O)O)cc1-c1cccc2ccccc12 408724433 KIHWSNSJQFFPJI-UHFFFAOYSA-N 328.371 4.699 0 40 EJAB Cc1cc2c(cc1-c1ccnc(N3CCCC3)n1)NC(C)(C)C[C@@H]2C 575473071 CHMPGHKWRXJIJY-HNNXBMFYSA-N 336.483 4.750 0 40 EJAB CC(C)c1ccc(/C=C2/N=C(c3ccccc3Cl)OC2=O)cc1 315832 RCCGIJQKYUOOBY-GZTJUZNOSA-N 325.795 4.808 0 40 EJAB COc1ccc(NCc2ccc(OCc3ccccc3)c(OC)c2)cc1 479328 LTTVRPQKKIVCHC-UHFFFAOYSA-N 349.430 4.895 0 40 EJAB CCOc1ccccc1NC(=O)COc1ccc([C@@H](C)CC)cc1 505767 QTNHZKFUQAFOGJ-HNNXBMFYSA-N 327.424 4.616 0 40 EJAB CC(C)Oc1cccc(C(=O)Nc2nc3ccc(Cl)cc3s2)c1 569325 NSRMKSUUGOIIQP-UHFFFAOYSA-N 346.839 4.989 0 40 EJAB Cc1ccc(-c2nc3ccccc3c(=O)n2-c2ccc(C)cc2C)cc1 2217155 ZBFYLYJECRITEU-UHFFFAOYSA-N 340.426 4.978 0 40 EJAB CCCCCCNC(=O)CCCOc1ccc(Cl)cc1Cl 2771278 DSAWZNYMYGASCZ-UHFFFAOYSA-N 332.271 4.849 0 40 EJAB COc1ccc([C@@H]2N=C(O)c3c(-c4ccccc4)csc3N2)cc1 4571758 GKUNFYCWCFZHKB-QGZVFWFLSA-N 336.416 4.853 0 40 EJAB O=C(CSc1ccc(F)cc1)Nc1cccc(Cl)c1Cl 5192518 LNUJOMJFAWTSQM-UHFFFAOYSA-N 330.211 4.863 0 40 EJAB O=C(CC12CC3CC(CC(C3)C1)C2)N[C@H]1CCSc2ccccc21 6085406 FGMCRFOBIIBXNG-CARYKQCGSA-N 341.520 4.946 0 40 EJAB COc1cccc(NC(=O)c2ccc(COc3ccccc3)cc2)c1 6790600 BLCIOURLOICHHD-UHFFFAOYSA-N 333.387 4.527 0 40 EJAB O=C(c1ccc(F)cc1)N(Cc1ccco1)Cc1ccccc1Cl 6810613 FLRKABAMHPEBJP-UHFFFAOYSA-N 343.785 4.915 0 40 EJAB Brc1ccc([C@@H]2Nc3ccccc3[C@@H]3OCC[C@H]23)cc1 7098241 MHHZPCQTNRLGEP-PVAVHDDUSA-N 330.225 4.694 0 40 EJAB Cc1ccc(N2C(=S)N[C@H]3C[C@]2(C)Oc2c(Cl)cccc23)cc1 8023754 BUOXSHXSYOQFTM-YJBOKZPZSA-N 344.867 4.583 0 40 EJAB O=C(CN(C1=NCCCC1)c1ccccc1)c1ccc(Cl)cc1 8436113 MVYMFOJUISPQEK-UHFFFAOYSA-N 326.827 4.612 0 40 EJAB CCOc1cc(C(=O)Nc2cccc(Cl)c2Cl)ccc1OC 10000828 IXDVFKJRAWLUIR-UHFFFAOYSA-N 340.206 4.653 0 40 EJAB Cc1cc(C(=O)Nc2cc(Cl)ccc2C)c2cnn(C(C)C)c2n1 10959256 CZCCWWXOCDDKAI-UHFFFAOYSA-N 342.830 4.535 0 40 EJAB CC(=O)Nc1nc(CSc2ccnc3cc(Cl)ccc23)cs1 12364457 CYQZOYLUMWVIQE-UHFFFAOYSA-N 349.868 4.595 0 40 EJAB COc1cc([C@@H]2CC(=O)Nc3ccsc32)ccc1OC1CCCC1 12419205 JEDCYIWNMQBLMQ-AWEZNQCLSA-N 343.448 4.552 0 40 EJAB COc1ccc([C@@H]2CCCN2[C@@H](C)C(=O)c2c[nH]c3ccccc23)cc1 15452708 PBWZGCKMUODASB-BTYIYWSLSA-N 348.446 4.585 0 40 EJAB Cc1cc(C)nc(/C=C(\NC(=O)c2ccccc2)c2ccccc2)c1 16952720 ZTVNNZAFHQRGAA-QNGOZBTKSA-N 328.415 4.627 0 40 EJAB Cc1nc(-c2cccs2)c(CCC(=O)NC2CCCCC2)s1 19933134 IIBQRPITHMJPBY-UHFFFAOYSA-N 334.510 4.562 0 40 EJAB COc1ccc([C@H](C)NC(=O)Nc2ccccc2C(F)(F)F)cc1 32609782 ZRBDENIUBNTLLM-NSHDSACASA-N 338.329 4.597 0 40 EJAB CC[C@@H](C)c1ccc(OCC[C@@H]2CCCCN2)c(Br)c1 42770379 FMEVYXJNSPYRRN-HIFRSBDPSA-N 340.305 4.874 0 40 EJAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](C)c1ccc(F)cc1 44845570 JHZZMWOWEUPJPF-HUUCEWRRSA-N 337.394 4.624 0 40 EJAB CCn1ccc2cc(NC(=O)C3(c4ccc(F)cc4)CCC3)ccc21 58015258 XPDBJNXMWOGMIJ-UHFFFAOYSA-N 336.410 4.861 0 40 EJAB Clc1cccc2c1CC[C@H]2NCc1csc(-c2ccccn2)n1 62258109 ILHVBHZLUTUPPP-MRXNPFEDSA-N 341.867 4.636 0 40 EJAB C[C@@H](Sc1nnc(Cc2c(F)cccc2Cl)o1)c1cccnc1 66257601 SJQQXEMHQBVCBE-SNVBAGLBSA-N 349.818 4.701 0 40 EJAB CCOc1ccc(NCc2cc3cc(C(C)C)ccc3[nH]c2=O)cc1 72396080 WHPFQJTUNCFDMI-UHFFFAOYSA-N 336.435 4.662 0 40 EJAB C[C@H](Nc1ncnc2ccc(F)cc12)c1ncc(-c2ccccc2)o1 92656504 ONTLVCDINNZMOI-LBPRGKRZSA-N 334.354 4.597 0 40 EJAB Cc1ccc(CCCNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1 219025293 POKXBZDCCMPCJB-SFHVURJKSA-N 347.458 4.665 0 40 EJAB Cc1ccc(NC(=S)NCCCSCc2ccccc2)c(C)c1 225595708 JKHWIVCRKWJZRY-UHFFFAOYSA-N 344.549 4.913 0 40 EJAB O=C1S/C(=C/c2c[nH]c3ccccc23)C(=O)N1CC1CCCCC1 409127049 OVSLCKMKHMJLOE-LICLKQGHSA-N 340.448 4.785 0 40 EJAB O=C(N[C@@H]1CCC(F)(F)C1)[C@@H](c1ccccc1)c1ccc(Cl)cc1 612490027 BAPKSJAIOVKUOG-SJORKVTESA-N 349.808 4.776 0 40 EJAB COc1ccc(Cc2nnc(SCc3ccc(Cl)cc3)o2)cc1 316706 DOGYWVKRIUAKQW-UHFFFAOYSA-N 346.839 4.615 0 40 EJAB CCCc1nc2ccccc2c(NC(=O)Cc2ccccc2)c1CC 333849 UFJQRQFEIRGLCG-UHFFFAOYSA-N 332.447 4.931 0 40 EJAB O=C(Nc1ccc(Cl)cc1)c1ccccc1NC(=O)C1CCCC1 365487 NUTRADAOTBYRBF-UHFFFAOYSA-N 342.826 4.721 0 40 EJAB Fc1ccc(Nc2nc(-c3cccnc3)nc3ccccc23)cc1F 509268 VTOBEEVFNIEZTE-UHFFFAOYSA-N 334.329 4.714 0 40 EJAB C[C@@]1(c2ccc(F)cc2)Nc2ccccc2-c2nc3ccccc3n21 541251 CWOLVFQROPLVTH-OAQYLSRUSA-N 329.378 4.989 0 40 EJAB O=c1c2ccccc2c(Cc2ccccc2)nn1C1CCCCCC1 1689672 XBTAGACNAOGLLH-UHFFFAOYSA-N 332.447 4.883 0 40 EJAB CCC(CC)CNCCc1c(C)[nH]c2ccc(OC(F)(F)F)cc12 3623255 PZRWNCGMCSFKKU-UHFFFAOYSA-N 342.405 4.943 0 40 EJAB CSc1cccc2sc(Nc3nc(C)c(C(C)=O)s3)nc12 4359826 MANXMPWOSQFHHN-UHFFFAOYSA-N 335.479 4.729 0 40 EJAB Cc1ccc(C(=O)N2N=C(c3ccc(C)cc3)C[C@H]2c2ccco2)cc1 4371203 MKLSTESWYNLNBC-FQEVSTJZSA-N 344.414 4.888 0 40 EJAB O=C1c2ccc3c4c(ccc(c24)C(=O)N1C1CCCCCCC1)CC3 4534970 PTXOWOCIAGTODC-UHFFFAOYSA-N 333.431 4.647 0 40 EJAB CC(=O)c1cccc(NC(=O)COc2ccc(C)cc2C(C)(C)C)c1 5542175 GEVQYMBGGQVRLN-UHFFFAOYSA-N 339.435 4.513 0 40 EJAB O=c1[nH]c(-c2cccc3ccccc23)nc2sc3c(c12)CCCC3 8856830 FBBOGUZPPPXIFM-UHFFFAOYSA-N 332.428 4.684 0 40 EJAB Cc1cc(C)cc(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)c1 9996094 SXQMCBLHDJWQKQ-QGZVFWFLSA-N 336.460 4.890 0 40 EJAB CCc1cccc(C)c1NC(=O)[C@H](CC)Oc1cc(C)cc(C)c1 11637277 DGAQZNQUWQKVTO-IBGZPJMESA-N 325.452 4.970 0 40 EJAB COc1ccccc1[C@H](C)NC(=O)Cc1ccc(-c2ccccc2)cc1 15471900 YIKZQLWQAKPYDL-KRWDZBQOSA-N 345.442 4.782 0 40 EJAB O=C(c1ccccc1OCc1ccccc1)[C@@H]1O[C@@H]1c1ccc(F)cc1 16158840 GOENYUXCFIBHMA-YADHBBJMSA-N 348.373 4.728 0 40 EJAB CCn1c(SCc2ccccc2F)nnc1-c1csc(C)c1 17068647 CHQPAPWRUJJUBX-UHFFFAOYSA-N 333.457 4.766 0 40 EJAB CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2cccs2)N3)C1 17085841 ILUKGCHBTXYZLP-BONVTDFDSA-N 346.521 4.815 0 40 EJAB Cc1c(Cl)cccc1-c1ccc(CNC[C@@H](O)c2ccccc2)o1 19796850 CMAPKYOFFHEYDT-LJQANCHMSA-N 341.838 4.732 0 40 EJAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccccc1Cl 20137784 HXRUZRSFUFACFI-UHFFFAOYSA-N 341.794 4.653 0 40 EJAB Cc1cc(C)cc(NC(=O)Nc2ccc(Br)cc2F)c1 20345368 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325.452 4.647 0 40 EJAB COc1cccc2cc(CN[C@@H]3CCOc4c(Cl)cccc43)oc12 67248736 GOVSSYVGXIIFOH-MRXNPFEDSA-N 343.810 4.708 0 40 EJAB Cc1cc(Cl)ncc1[C@H]1CCCCN1C(=O)OCc1ccccc1 72217871 FKADAFHZTWFYMO-QGZVFWFLSA-N 344.842 4.907 0 40 EJAB COc1ccc(C)cc1CN[C@H](Cc1ccsc1)c1nccs1 72391126 IHVCFXTVHFXFBC-MRXNPFEDSA-N 344.505 4.595 0 40 EJAB CCOc1c(Cl)cc(CNc2cccc(C(=O)O)c2)cc1Cl 76275837 NJEZVCQYQFWYND-UHFFFAOYSA-N 340.206 4.702 0 40 EJAB C[C@@H]1CC2=C(C[C@@H]1[C@H]1OC[C@@H](CN3CCCCC3)O1)C(C)(C)CCC2 85867340 GWNYATQURCVOGA-RBAQFSTRSA-N 347.543 4.767 0 40 EJAB biogenic CC(C)C(=O)Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1 107896393 AXEBJHBGKZUJNT-UHFFFAOYSA-N 341.794 4.708 0 40 EJAB Cc1ccc(C(=O)Nc2ccc(C)cc2Br)c(Cl)c1 191454143 UNZSPQJKEMTUPC-UHFFFAOYSA-N 338.632 4.972 0 40 EJAB Cc1ccnc(Nc2ccc(Br)cc2C(F)(F)F)c1 199715782 NMCVTFAMCYQCHM-UHFFFAOYSA-N 331.135 4.915 0 40 EJAB O=C(O)c1cccc2c1N[C@H](c1ccc(F)cc1)[C@@H]1[C@@H]3CC[C@@H](C3)[C@@H]21 222088203 XRZXZBRJZSEQSF-ZGXYDKCCSA-N 337.394 4.820 0 40 EJAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(Cl)cc3)N21 222643470 XDIUTCKQOBTTTB-BHYGNILZSA-N 343.883 4.714 0 40 EJAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N(C)Cc2ccccc2)c1 223715914 FYGKNWJPWOWHEE-QGZVFWFLSA-N 325.452 4.544 0 40 EJAB Cc1ccc(CCC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1C 225020759 PKLJSQNZVYAATH-LJQANCHMSA-N 337.463 4.655 0 40 EJAB Cc1cc(C)c(C[C@@H](Oc2cc(C)cc(C)c2C)C(=O)O)c(C)c1 225136938 ZMRDDOHYXCHPKR-HXUWFJFHSA-N 326.436 4.612 0 40 EJAB COc1ccccc1NC(=O)N[C@@H](c1ccccc1)c1cccc(C)c1 225769706 AGAAYTWQHUVHIS-NRFANRHFSA-N 346.430 4.915 0 40 EJAB Cc1ccc(C)c(NC(=S)N[C@@H](C)COc2ccc(C)c(C)c2)c1 225788848 VAFWCJYOKPRCGO-KRWDZBQOSA-N 342.508 4.674 0 40 EJAB O=C(Cc1ccccc1Cl)N[C@@H](c1ccsc1)c1cccs1 390827222 VCCPSYQHPPLROA-KRWDZBQOSA-N 347.892 4.911 0 40 EJAB Cc1ccc(-c2nnc(SC(=O)Cc3ccc(Cl)cc3)o2)cc1 408599030 CRBIRANWQLZUTE-UHFFFAOYSA-N 344.823 4.560 0 40 EJAB C[C@H](CCc1ccccc1)NC(=O)CCCOc1ccc(Cl)cc1 408706256 YUCOKWRUXCOKMK-MRXNPFEDSA-N 345.870 4.637 0 40 EJAB O=C(Cc1cccc2ccccc12)N1CCc2sc(Cl)cc2C1 575615662 GUTVHDIGLVUDKJ-UHFFFAOYSA-N 341.863 4.682 0 40 EJAB CCCN(CC1CCCCC1)S(=O)(=O)c1ccc2c(c1)CCCC2 1660953826 COJQXFYWHCOZJN-UHFFFAOYSA-N 349.540 4.546 0 40 EJAB O=C1O[C@@H](Nc2ccc(Cl)cc2C(F)(F)F)c2ccccc21 91749 CNCBOMRTSJOVMG-CYBMUJFWSA-N 327.689 4.640 0 40 EJAB CC1(C)C(=O)O[C@H](c2ccc(F)cc2Cl)C2(CCCCC2)C1=O 111969 OLKMGSOKVRMQSK-CQSZACIVSA-N 338.806 4.623 0 40 EJAB Cc1ccnc(N[C@@H](c2ccccn2)c2c(C)[nH]c3ccccc23)c1 4123461 OJJVDGXAVUMNAV-NRFANRHFSA-N 328.419 4.776 0 40 EJAB Cc1cc(/C=C(\CC(=O)O)c2nc3ccccc3s2)cc(C)c1O 5131040 RZJWADZGYMMUSA-NTEUORMPSA-N 339.416 4.634 0 40 EJAB CCOc1c(Cl)cc(C(=O)Nc2ccccc2Cl)cc1OC 6207088 WRPIEMKYGMHTAJ-UHFFFAOYSA-N 340.206 4.653 0 40 EJAB CC(=O)CCSc1nc(C)nc2sc(-c3ccccc3)cc12 8392865 CVJRASZQZWBKDH-UHFFFAOYSA-N 328.462 4.738 0 40 EJAB C[C@H]1CCN(C(=O)Cc2c[nH]c3ccccc23)c2ccccc2S1 11055856 QVLUETZCAVCHNM-AWEZNQCLSA-N 336.460 4.628 0 40 EJAB Cc1ccc(C)c(Cn2c([C@@H](O)c3ccccc3)nc3ccccc32)c1 12447214 OKQFDWXQQHKMDA-QFIPXVFZSA-N 342.442 4.783 0 40 EJAB CCOC(=O)c1ccc2c(c1)nc(-c1ccc(Cl)cc1)n2CC 12546430 DVQYWQJRDQMSHD-UHFFFAOYSA-N 328.799 4.553 0 40 EJAB CCc1nnc2c3ccccc3nc(Nc3ccc(C)cc3Cl)n12 16162622 SAOWRQCKUXACBL-UHFFFAOYSA-N 337.814 4.545 0 40 EJAB C[C@H](NC(=O)c1ccc(Cl)cc1)c1cccc(Br)c1 20025373 DHENBFBWJMXDJM-JTQLQIEISA-N 338.632 4.594 0 40 EJAB CCOc1ccc(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1C 20025627 PGZSHQNMBUHFLM-UHFFFAOYSA-N 341.304 4.804 0 40 EJAB CC1(C)CC(=O)c2c(Nc3ccccc3F)nn(-c3ccccc3)c2C1 20672048 SPCLZTWGXKPMBK-UHFFFAOYSA-N 349.409 4.910 0 40 EJAB COc1ccc2cc([C@H](C)C(=O)N[C@H]3CCCC[C@H]3C)ccc2c1 21875487 KZVJJENLDZNITF-SIFCLUCFSA-N 325.452 4.647 0 40 EJAB CCSc1ccccc1C(=O)NCCSCc1ccc(C)cc1 23694409 QXKHQFNOZMORBV-UHFFFAOYSA-N 345.533 4.770 0 40 EJAB Clc1ccc2c(NCc3ccccc3Cn3cccn3)ccnc2c1 32853581 VNDYVQGFAUVMQO-UHFFFAOYSA-N 348.837 4.745 0 40 EJAB Cc1c(C(=O)N2CCC[C@H]2c2ccsc2)oc2c(F)cccc12 40107754 BVMJKLNICAIIGZ-HNNXBMFYSA-N 329.396 4.919 0 40 EJAB Clc1cccc(CN2CC[C@H](c3nc4ccccc4s3)C2)c1 49168915 AOQDTMMRYBJYPQ-AWEZNQCLSA-N 328.868 4.939 0 40 EJAB biogenic,in-vitro C[C@@H](NC(=O)Nc1cccc2cnccc12)c1cc2ccccc2o1 53985558 GQCYATWVUXLCII-CYBMUJFWSA-N 331.375 4.864 0 40 EJAB Cc1cc2oc(=O)cc(CN3CCC[C@@H]3c3ccccc3)c2cc1C 57481543 QZROIFWKGVEPBX-HXUWFJFHSA-N 333.431 4.747 0 40 EJAB CC(C)OC(=O)c1ccc(NC(=O)/C=C/c2cc3ccccc3o2)cc1 67339330 KOWMMFVQGLBGNZ-VAWYXSNFSA-N 349.386 4.650 0 40 EJAB COc1ccc(NC(=S)Nc2cccc(Cl)c2Cl)cc1F 71325905 BEBVKQVOZZZQKU-UHFFFAOYSA-N 345.226 4.950 0 40 EJAB CCOc1ccc(OCC)c(C(=O)Nc2cccc3c2CCCC3)c1 96171295 NBKIJMHFJNFMPD-UHFFFAOYSA-N 339.435 4.615 0 40 EJAB CC[C@H](NC(=O)Nc1cccc(-c2nccs2)c1)c1nccs1 96415829 BRVZDWDWFKQNBW-ZDUSSCGKSA-N 344.465 4.539 0 40 EJAB Cc1csc(/C(=C/c2ccsc2)c2nc3ccccc3n2C)n1 96891595 DXHWKMYQVIYWHJ-NTEUORMPSA-N 337.473 4.989 0 40 EJAB Cc1ccc(N/C=C/c2nc(SCc3ccccc3)nnc2C)cc1 100142802 ULWOIBSTYCJJCO-OUKQBFOZSA-N 348.475 4.864 0 40 EJAB O=C(CCc1ccc(F)cc1)Nc1ccccc1C(=O)c1ccccc1 223536181 FXDBSPNMFDGCKW-UHFFFAOYSA-N 347.389 4.628 0 40 EJAB Cc1ccc(NC(=S)NCCCc2ccccc2Cl)c(C)c1 225539290 WGQCEOWEMUGCEB-UHFFFAOYSA-N 332.900 4.876 0 40 EJAB CCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCC)c(Cl)c1 225621417 UUMZJQWAGYTWGM-QGZVFWFLSA-N 327.852 4.663 0 40 EJAB COc1ccccc1[C@@H](C)NC(=O)CCc1cccc2ccccc12 225850290 PKTNONOWKCOWTF-MRXNPFEDSA-N 333.431 4.658 0 40 EJAB O=C(Nc1ccc(Oc2ccccn2)cc1)[C@H]1C[C@@H]1c1ccc(F)cc1 547394924 ZMNNPKYXKCZBQA-MOPGFXCFSA-N 348.377 4.755 0 40 EJAB Clc1cccc([C@H]2CCN(Cc3cc(-n4ccnc4)cs3)C2)c1 552317026 ZARBPLYJYILPIZ-HNNXBMFYSA-N 343.883 4.577 0 40 EJAB Cc1cc(C(F)(F)F)nc(N2CCC[C@@H](C3CCCCC3)C2)n1 1612648769 OJFQWUYPBJRDRQ-CQSZACIVSA-N 327.394 4.601 0 40 EJAB O=C(C1c2ccccc2Oc2ccccc21)N1CCCc2ccccc21 61374 SLUVVHJNUKHHRK-UHFFFAOYSA-N 341.410 4.904 0 40 EJAB CC(=O)c1sc2nc(-c3ccc(Cl)cc3)c3c(c2c1N)CCC3 125135 SWONSZJCMYNNSP-UHFFFAOYSA-N 342.851 4.890 0 40 EJAB O=C(Nc1nc2c(cc3c4c(cccc42)CC3)s1)c1ccccc1 239965 SRQCZLNGFORPJJ-UHFFFAOYSA-N 330.412 4.800 0 40 EJAB CC(=O)O[C@@]1(c2ccccc2)C[C@@H](C(C)(C)C)CN(C(C)(C)C)C1 4188291 XENZICQEFWMILM-NQIIRXRSSA-N 331.500 4.612 0 40 EJAB Cc1nnc(SCc2ccccc2)nc1SCc1ccccc1 4422822 FODSEQTXKZLVPR-UHFFFAOYSA-N 339.489 4.765 0 40 EJAB O=C(OCc1ncc(-c2ccccc2)o1)C12CC3CC(CC(C3)C1)C2 6618529 DDCGSOCPQZBXMJ-UHFFFAOYSA-N 337.419 4.601 0 40 EJAB C[C@H](NC(=O)N[C@H](C)c1cc2ccccc2o1)c1ccc(F)cc1F 10281419 QYYHCCIPPQWQEF-NWDGAFQWSA-N 344.361 4.832 0 40 EJAB Fc1ccc(-c2cnc(SCc3nc4ccccc4o3)[nH]2)cc1 12525754 XPDIDTCKCXLBBO-UHFFFAOYSA-N 325.368 4.649 0 40 EJAB Cc1nc(SCc2nccn2C(F)F)c2c(C)c(C)sc2n1 12531416 VQZGYGUWMLECPD-UHFFFAOYSA-N 340.424 4.500 0 40 EJAB C[C@@H](Oc1cccc2ccccc12)C(=O)Nc1c(F)cccc1F 13709352 AYAYAUUEKFFREH-GFCCVEGCSA-N 327.330 4.524 0 40 EJAB Cc1cccc(C)c1NC(=O)c1ccc(COc2ccc(F)cc2)o1 14110190 FTDZSHDXCXCUGS-UHFFFAOYSA-N 339.366 4.867 0 40 EJAB COc1ccc(CN[C@H](Cc2cccs2)c2nc(C)cs2)cc1 19240086 KXTFFCYTZAVEDK-QGZVFWFLSA-N 344.505 4.595 0 40 EJAB Fc1cc(F)cc(Nc2ccnc(Nc3cc(F)cc(F)c3)n2)c1 19910266 IFWYEOBBCDMUQG-UHFFFAOYSA-N 334.276 4.520 0 40 EJAB Cc1ccc(Cc2nnc(SCc3ccc(F)cc3)o2)cc1C 20196938 ZSRKLKTWXOTXOR-UHFFFAOYSA-N 328.412 4.709 0 40 EJAB Cc1nc(N(C)c2ccccc2)sc1C(=O)Nc1ccc(F)cc1 22237707 LZXSBQOXBWSMFC-UHFFFAOYSA-N 341.411 4.611 0 40 EJAB c1coc(-c2nc(CSc3nc(-c4cccs4)n[nH]3)cs2)c1 22517800 VVBICANTZDDADI-UHFFFAOYSA-N 346.462 4.542 0 40 EJAB C[C@@H](Oc1cc(Cl)ccc1Cl)c1nc(-c2cccnc2)no1 24924105 JANSLYUEUJQEJH-SECBINFHSA-N 336.178 4.578 0 40 EJAB COc1ccccc1[C@H](C)N(C)C(=O)c1ccc(C)c(-n2cccc2)c1 25112019 VHUUNLXRCXYEGA-KRWDZBQOSA-N 348.446 4.628 0 40 EJAB O=C(Oc1ccc2c(c1)OCO2)N(c1ccccc1)c1ccccc1 27588662 SMNDQYIEESZXFA-UHFFFAOYSA-N 333.343 4.752 0 40 EJAB Brc1cccc(CSc2ncnc3ccsc23)c1 32850649 FMCGTDSFRKTFAX-UHFFFAOYSA-N 337.267 4.746 0 40 EJAB CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccc2cccnc2c1 40286553 RFHFFYWIFPKXMT-HXUWFJFHSA-N 349.821 4.586 0 40 EJAB O=C(CNc1cc(Cl)ccc1Oc1ccccc1)N1CCCCC1 58377783 JMPBJWQCYPVQDL-UHFFFAOYSA-N 344.842 4.557 0 40 EJAB CCN(CC)[C@@H](CNC(=O)Nc1ccccc1C(C)(C)C)CC(C)C 71900966 NXOQXGQHCFTKCJ-QGZVFWFLSA-N 347.547 4.862 0 40 EJAB CC(C)(C)OC(=O)N1CCC[C@H]1c1ccc(NC2CCCC2)nc1 72213956 YORDRHPKWMPDCG-INIZCTEOSA-N 331.460 4.508 0 40 EJAB CCOc1cccc2cc([C@H](C)N[C@@H](C)c3cnc(C)nc3C)oc12 95967181 XYZVXJZMLQFPEP-JSGCOSHPSA-N 339.439 4.650 0 40 EJAB CC[C@@H](Nc1nc2cc(C(F)(F)F)ccc2s1)c1ncc[nH]1 97104047 KDDZLKXUASUVRZ-SECBINFHSA-N 326.347 4.601 0 40 EJAB CC[C@H](NC(=O)[C@H](C)Oc1ccc(C)cc1)c1ccc(C)c(C)c1 218973812 GCDZQOFCVFIFMX-PXNSSMCTSA-N 325.452 4.647 0 40 EJAB COc1ccc(CCC(=O)N[C@H](CC(C)C)c2ccccc2)cc1C 223147431 URDAKZXCTFTDPM-HXUWFJFHSA-N 339.479 4.840 0 40 EJAB CC(C)Sc1nnc(NC(=O)CCc2ccc(C(C)C)cc2)s1 224707311 NOFXOVXHJZTZQW-UHFFFAOYSA-N 349.525 4.733 0 40 EJAB CCCCc1ccc(C[C@@H](Oc2ccc(C)c(C)c2)C(=O)O)cc1 225129078 FKWCFNYAQAORPH-HXUWFJFHSA-N 326.436 4.721 0 40 EJAB Fc1ccc(C[n+]2cccc(-c3nc4ccccc4o3)c2)c(Cl)c1 226308524 GSIRRSZKGKKPHB-UHFFFAOYSA-N 339.777 4.623 0 40 EJAB Cc1cc2oc(C(=O)NCCOc3ccccc3)c(C)c2cc1Cl 526052207 FGZNOCJYLPAFJY-UHFFFAOYSA-N 343.810 4.512 0 40 EJAB Cc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)o1 99110 GCPZHKOWNSMENP-DNVCBOLYSA-N 336.416 4.892 0 40 EJAB O=C(c1ccccc1OCc1ccccc1)[C@@H]1O[C@@H]1c1ccccc1 162350 ZZINOVZILZHGHN-YADHBBJMSA-N 330.383 4.588 0 40 EJAB CCCc1cc(=O)oc2cc(C)cc(OCc3ccc(OC)cc3)c12 488924 JWUKAUSNXRFJQW-UHFFFAOYSA-N 338.403 4.642 0 40 EJAB biogenic COc1ccc(N2C(=O)CSC23CCC(C(C)(C)C)CC3)cc1 507180 XAVAUUVEWHVIQF-UHFFFAOYSA-N 333.497 4.708 0 40 EJAB O=C(Nc1ccc(F)cc1)C1[C@H]2CC[C@@H]3[C@H](CC[C@@H]12)C3(Cl)Cl 521327 NLTXPOMUPHQBKJ-CAPBHKODSA-N 342.241 4.620 0 40 EJAB CCOc1ccc2[nH]c3c(NCCC4=CCCCC4)ncnc3c2c1 534261 WCUQVQUPGJPBCE-UHFFFAOYSA-N 336.439 4.812 0 40 EJAB O=C(c1ccc(C(F)(F)F)cc1)c1ccccc1CN1CCCC1 2515575 ANCOURQSNRSBFP-UHFFFAOYSA-N 333.353 4.532 0 40 EJAB COc1ccc(C)cc1NC(=O)C1(c2ccc(Cl)cc2)CCC1 3452408 UXTFYBKAYPHMBB-UHFFFAOYSA-N 329.827 4.717 0 40 EJAB Cc1cccc(CSc2nnc(-c3c[nH]c4ccccc34)n2C)c1 4138460 NCOZXCZMFJWISK-UHFFFAOYSA-N 334.448 4.564 0 40 EJAB Clc1ccc(-c2nn3c(-c4ccc(Cl)cc4)nnc3s2)cc1 4323552 OVMQHHSRMIOZLW-UHFFFAOYSA-N 347.230 4.827 0 40 EJAB COc1ccc2c(c1OC)C(c1ccccc1)(c1ccccc1)OC2 4666925 BRBVZHYHXMXLSO-UHFFFAOYSA-N 332.399 4.526 0 40 EJAB Cc1ccc2oc(-c3cc(NC(=O)c4ccco4)cc(C)c3O)nc2c1 4988481 JHFIGVJKDGNWBY-UHFFFAOYSA-N 348.358 4.663 0 40 EJAB FC(F)(F)c1cccc(CSc2nc(-c3ccccc3)n[nH]2)c1 6552668 BWDAHNGKVWJZLJ-UHFFFAOYSA-N 335.354 4.783 0 40 EJAB Cc1ccc(NCc2ccc(OCC(=O)Nc3ccccc3)cc2)cc1 6966327 JRAXUUWDMQZLQS-UHFFFAOYSA-N 346.430 4.625 0 40 EJAB Cc1cc(SCc2cc(=O)[nH]c3ccccc23)nc2ccccc12 8578700 NKRRXJOLOGPDFT-UHFFFAOYSA-N 332.428 4.677 0 40 EJAB aggregator Cc1nc(-c2ccc(CNC(=O)CCC3CCCC3)cc2)cs1 12758610 QXWDUEDDWAECDU-UHFFFAOYSA-N 328.481 4.705 0 40 EJAB Cc1ccccc1/C=C/C(=O)N1CCC[C@H]1c1nc2ccccc2s1 13002093 BJNKCUUHULWUNG-HHNLSAEISA-N 348.471 4.982 0 40 EJAB O=C(O)c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1 13084750 IGVNNTZOLBBYTD-UHFFFAOYSA-N 331.582 4.924 0 40 EJAB COc1ccc(S[C@H](C)C(=O)Nc2ccccc2C(C)C)cc1 18543859 DQSLMFIURWXSGX-CQSZACIVSA-N 329.465 4.938 0 40 EJAB CCCCOc1ccc(CNc2ccccc2OCCOCC)cc1 19738515 KXGSLKHEVCGESE-UHFFFAOYSA-N 343.467 4.893 0 40 EJAB O=C(CSCc1ccc(Cl)c(Cl)c1)NCc1ccccc1 20050137 NRSHTMKYVHNMHM-UHFFFAOYSA-N 340.275 4.543 0 40 EJAB O=C(N1CCC[C@H]1c1cccc(F)c1)C12CC3CC(CC(C3)C1)C2 20899922 BEUVDAZQVWLLOE-IXYLRAAXSA-N 327.443 4.706 0 40 EJAB CC[C@@H](NC(=O)CSCc1ccccc1Cl)c1ccccc1 22509167 BDHHRLSNYJCHJF-QGZVFWFLSA-N 333.884 4.841 0 40 EJAB CC[C@H](NC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1)c1ccccc1 22527015 FLGMUJQMXXKFTH-YJBOKZPZSA-N 345.870 4.992 0 40 EJAB Cc1nc2ccccc2nc1SCC(=O)c1c(C)[nH]c2ccccc12 22989839 UNQIORBXWVHIAA-UHFFFAOYSA-N 347.443 4.703 0 40 EJAB C[C@@H](NC(=O)c1c(F)cccc1Cl)c1cccc(C(F)(F)F)c1 28433321 KNJCMHNBIJKTEY-SECBINFHSA-N 345.723 4.989 0 40 EJAB O=C(O)/C=C/c1c(-c2ccc(-c3ccccc3)cc2)nc2ccccn12 36532516 OSUDLXBMNOHLKS-BUHFOSPRSA-N 340.382 4.766 0 40 EJAB CCONC(=O)CCCCCCSc1ccc2ccccc2c1 41181976 VBWHYOOIVLGKQN-UHFFFAOYSA-N 331.481 4.950 0 40 EJAB O=C(O)[C@H](Cc1ccc(Cl)cc1)c1cccc(Br)c1 51943570 HMACGKZYWDFEKR-CQSZACIVSA-N 339.616 4.513 0 40 EJAB O=C(N[C@H]1CCc2ccccc21)c1c[nH]cc1-c1ccc(Cl)s1 58426711 DEQWRTMQZOGGFY-HNNXBMFYSA-N 342.851 4.814 0 40 EJAB O=C(/C=C/c1c(F)cccc1F)Nc1ccc2oc(C3CC3)nc2c1 59011263 NJLRXJBAGIRFTK-VQHVLOKHSA-N 340.329 4.635 0 40 EJAB Cc1nc(-c2ccccc2)sc1C(=O)NC(C)(C)c1ccccc1 65403208 URADSKIWKNKXEE-UHFFFAOYSA-N 336.460 4.784 0 40 EJAB CCCCN1CCC[C@@H]1c1ccc(N(CC)C(=O)OC(C)(C)C)nc1 72214623 YXTRARIHYWFJCB-QGZVFWFLSA-N 347.503 4.780 0 40 EJAB Cc1nc([C@@H](C)Nc2cccc(CO)c2)oc1-c1ccc(Cl)cc1 89557970 LKVQPFWVUFLZOT-CYBMUJFWSA-N 342.826 4.969 0 40 EJAB COc1cc2c(Cl)c(Br)c(Cl)nc2cc1Cl 95098243 JQLAGOAZRYBAAY-UHFFFAOYSA-N 341.419 4.966 0 40 EJAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)N[C@H]1CCCc2ccccc21 113970120 CEAJCLNXHXFEJO-VQTJNVASSA-N 337.463 4.655 0 40 EJAB CCCNC(=O)c1ccc(OC)c(CSc2ccc(Cl)cc2)c1 224344409 CRNLAHVYOBKZRP-UHFFFAOYSA-N 349.883 4.781 0 40 EJAB CC[C@@H](NC(=S)Nc1cccc(Br)c1)c1ccccc1 225479684 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O=C(C1CCCCC1)N1CCC(c2nc3ccccc3s2)CC1 1326660 BMEXDPASDWAZBL-UHFFFAOYSA-N 328.481 4.583 0 40 EJAB Cc1ccc2c(c1)N(Cc1ccc(Cl)cc1Cl)C(=O)[C@H](C)O2 1328429 LRYSNGPBWHISSM-NSHDSACASA-N 336.218 4.616 0 40 EJAB CCN(CC)CCC[C@H](C)Nc1cc(C)nc2cc(N(C)C)ccc12 1556988 HFCFNELXMSXBBS-INIZCTEOSA-N 342.531 4.532 0 40 EJAB CC[C@@]1(C)C[C@@](CCN(Cc2ccco2)C(C)=O)(C(C)C)CCO1 2110870 WECPRHUTBOEXOM-PMACEKPBSA-N 335.488 4.640 0 40 EJAB biogenic Cc1cccc(NC(=O)C2[C@@H]3CC[C@H]4[C@@H](CC[C@@H]23)C4(Cl)Cl)c1 4380147 ILZRVBWTTJKFOR-YFVFXCHESA-N 338.278 4.790 0 40 EJAB CCSc1ccc(C(=O)Nc2nc3ccc(F)cc3s2)cc1 4585852 ZMUIIZHDZXETHG-UHFFFAOYSA-N 332.425 4.800 0 40 EJAB COc1ccc(C(=O)c2sc3nc4cc(C)ccc4cc3c2N)cc1 4959849 OWRYWDSAADVHLO-UHFFFAOYSA-N 348.427 4.580 0 40 EJAB O=C(N[C@@H]1CCCc2ccccc21)C1(c2ccc(Cl)cc2)CC1 5442789 LUJFHPFLBNJCRB-GOSISDBHSA-N 325.839 4.565 0 40 EJAB CC[C@H](C)c1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)cc1 7053356 FAWMVNQXPRYDSI-AWEZNQCLSA-N 331.481 4.926 0 40 EJAB CC(=O)c1cccc(NC(=O)CCC(=O)c2ccc3ccccc3c2)c1 7951674 LZYRPUCJTWFRGH-UHFFFAOYSA-N 345.398 4.644 0 40 EJAB O=C(Nc1cccc(/C=C/c2ccccn2)c1)c1ccc2c(c1)CCC2 9469803 VBSQUSGICWMYRD-JLHYYAGUSA-N 340.426 4.993 0 40 EJAB O=C(CNc1cccc(Cl)c1Cl)Nc1ccc(Cl)cc1F 11622303 MHLGKBVHULNJIZ-UHFFFAOYSA-N 347.604 4.837 0 40 EJAB COc1ccc(C2(NCc3c[nH]nc3-c3ccccc3)CCCC2)cc1 12147624 ZDWCFPPFQTWZKA-UHFFFAOYSA-N 347.462 4.644 0 40 EJAB CCCCCc1ccc(NC2(P(=O)(O)O)CCCCC2)cc1 12526556 XMMVFQTVIMOJFV-UHFFFAOYSA-N 325.389 4.669 0 40 EJAB COCc1nc2ccccc2n1CCCOc1ccc2ccccc2c1 13566038 RLPGTECEIIVYNC-UHFFFAOYSA-N 346.430 4.805 0 40 EJAB C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCCc2ccccc21 13648952 IGNMBQRQONYXLG-ZDUSSCGKSA-N 331.868 4.800 0 40 EJAB Cc1cc(C)c2sc(NC(=O)c3cccc4ccccc34)nc2n1 17014105 UNSCUKSFIQAERC-UHFFFAOYSA-N 333.416 4.714 0 40 EJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1cccc(OC)c1 20046242 STQKFRFKYLCLOC-LJQANCHMSA-N 335.403 4.645 0 40 EJAB COc1cc(OC)c(NC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)cc1Cl 22006922 KWMYFDUKMMWRJG-MEDUHNTESA-N 337.847 4.534 0 40 EJAB O=C(NCc1cccs1)c1ccccc1Nc1ccc(F)cc1 27625494 ZDRBSTUQSCHLSC-UHFFFAOYSA-N 326.396 4.561 0 40 EJAB O=C(c1ccc(-c2ccccc2)cc1)N1CCO[C@H](c2ccccc2)C1 30765248 AUTKZEJTPGSHBN-QFIPXVFZSA-N 343.426 4.567 0 40 EJAB Cc1noc(C)c1[C@H](C)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 58194998 KPVUKEFUACWJOW-LURJTMIESA-N 347.629 4.994 0 40 EJAB CCCN(CC)c1ccc(C(=O)N(C2CC2)[C@H](C)c2ccco2)cc1 60335658 IUTCUTXGTBRYAB-MRXNPFEDSA-N 340.467 4.882 0 40 EJAB O=C(c1ccc2[nH]c3c(c2c1)CCCC3)N1CCCc2ccccc21 69128515 LKXRMQXUDLJHOF-UHFFFAOYSA-N 330.431 4.640 0 40 EJAB CCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2CC)cn1 72214695 NVGHZYPQVGZKLW-QGZVFWFLSA-N 347.503 4.780 0 40 EJAB CCCCN1CCc2cc(OC)c(OC)cc2[C@H]1c1cccs1 72314847 UQQSCVHTFHOLHM-IBGZPJMESA-N 331.481 4.513 0 40 EJAB Fc1ccccc1-c1cccc([C@@H]2CCCN(Cc3ccncc3)C2)n1 72348800 SEDZGKUARVGQTB-GOSISDBHSA-N 347.437 4.662 0 40 EJAB CCCOc1ccccc1C(=O)Nc1ccc(Br)cc1C 96319260 DGRJRSYZDJJBTO-UHFFFAOYSA-N 348.240 4.799 0 40 EJAB Cc1csc(C2(NCCOc3cccc4ccccc34)CCC2)n1 97141062 RCVDOLSOBQRUFL-UHFFFAOYSA-N 338.476 4.653 0 40 EJAB CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1ccccc1SC 113971261 DKSIZXSFSOTCNT-INIZCTEOSA-N 329.465 4.821 0 40 EJAB O=C1S/C(=C/c2cccs2)C(=O)N1Cc1ccccc1Cl 208281066 RSSNGGGXBXUQQO-MDWZMJQESA-N 335.837 4.638 0 40 EJAB CC[C@@H](NC(=O)[C@H](C)Oc1ccc(C)c(C)c1)c1ccc(C)cc1C 219519988 YFUUZHAMCDSHDA-GHTZIAJQSA-N 339.479 4.955 0 40 EJAB COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(C)cc2C)cc1 223311110 ZZRYHXDKWOJQJV-HXUWFJFHSA-N 325.452 4.829 0 40 EJAB COc1ccc(CCC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1C 223496950 HLOPGCQLDYMMTE-SFHVURJKSA-N 339.479 4.739 0 40 EJAB CCCOc1ccccc1/C=C1\SC(=O)N(c2ccccc2)C1=O 408603006 PQEKRROLFXNXOW-LGMDPLHJSA-N 339.416 4.716 0 40 EJAB CCN(C(=O)c1ccc2c(n1)CCCC2)c1ccc(C(F)(F)F)cc1 512518757 CDQMEHMPZTWFPC-UHFFFAOYSA-N 348.368 4.646 0 40 EJAB CC1(C)CC[C@H](NC(=O)CCc2ccoc2)[C@H](c2ccccc2)C1 1597783567 GABBQAYGMSMOFS-OALUTQOASA-N 325.452 4.691 0 40 EJAB Cc1ccc([C@@H]2O[C@H]2C(=O)c2ccccc2OCc2ccccc2)cc1 162495 KAFWCLJYZXXPQF-GOTSBHOMSA-N 344.410 4.897 0 40 EJAB CC(=O)c1ccc(C(=O)Nc2nc(-c3ccc(C)cc3)cs2)cc1 192158 BNMCYWHSAJSXHU-UHFFFAOYSA-N 336.416 4.573 0 40 EJAB CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2562719 XTAARPJDFFXHGH-UXTGZGHQSA-N 346.511 4.920 0 40 EJAB in-vitro O=C(Nc1nc2c(s1)CCCC2)c1cccc(Cl)c1Cl 3437608 SAGBPIOAYTZKKD-UHFFFAOYSA-N 327.236 4.581 0 40 EJAB CC[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(F)cc2)N3)C1 4545462 HBDHUZYIASECNZ-HWPZZCPQSA-N 330.428 4.831 0 40 EJAB O=c1c2ccc(Cl)cc2nc2n1CC/C2=C\c1ccc(Cl)cc1 5127533 UJMFNEYJBWFZQW-FMIVXFBMSA-N 343.213 4.648 0 40 EJAB CCc1ccccc1NC(=O)c1sc(-c2cccs2)nc1C 6789426 VYQSRAAOXHGWHY-UHFFFAOYSA-N 328.462 4.995 0 40 EJAB Cc1ccc2c(=O)cc(C(=O)Nc3cccc(Cl)c3C)oc2c1C 6811360 PNAPLAQWKNYUFD-UHFFFAOYSA-N 341.794 4.624 0 40 EJAB CCn1c2ccccc2c2cc(CN(C)C(=O)C3CCCC3)ccc21 7314109 SEWFQEFNNYOFNF-UHFFFAOYSA-N 334.463 4.963 0 40 EJAB COc1cc(/C=C/c2nc3cc(Cl)ccc3o2)cc(OC)c1OC 8321195 HMLLRILGSUXHPR-QPJJXVBHSA-N 345.782 4.677 0 40 EJAB CCOc1ccc(-c2ccnc3c(-c4ccccc4)c(C)nn23)cc1 8570248 GOBYQEZIWQFSKY-UHFFFAOYSA-N 329.403 4.770 0 40 EJAB NCc1ccc(-c2cccc(NC(=O)OCc3ccccc3)c2)cc1 8699701 UUWJUVLZVIBRTA-UHFFFAOYSA-N 332.403 4.561 0 40 EJAB Cc1ccc(Cn2c(C)c(C)c(-c3nc4ccccc4[nH]3)c2N)cc1 8991565 ZWAZTEOPQVVCLJ-UHFFFAOYSA-N 330.435 4.587 0 40 EJAB CCCOc1cccc(C(=O)Nc2nc3c(C)ccc(C)c3s2)c1 9141263 NRJUOWQZYTYKHB-UHFFFAOYSA-N 340.448 4.954 0 40 EJAB Cc1cc2occ(CC(=O)Nc3ccnn3C3CCCC3)c2cc1C 9447319 AZMXSHMCYVWTSM-UHFFFAOYSA-N 337.423 4.542 0 40 EJAB O=C(c1ccccc1Cl)N1CCC(CCc2ccc(O)cc2)CC1 12812120 PUXBTPYIAWUPHB-UHFFFAOYSA-N 343.854 4.531 0 40 EJAB CCc1cccc(CC)c1NC(=O)Cc1nc(-c2ccccc2)oc1C 14898921 NKGHBIABIYLYDE-UHFFFAOYSA-N 348.446 4.956 0 40 EJAB CCCOc1ccc(/C=C/C(=O)Nc2ccccc2C)cc1OCC 16028908 CTEMWUBGSLRION-ACCUITESSA-N 339.435 4.834 0 40 EJAB O=C(c1ccccc1OCc1ccccc1)[C@@H]1O[C@H]1c1ccc(F)cc1 16158838 GOENYUXCFIBHMA-VXKWHMMOSA-N 348.373 4.728 0 40 EJAB CC[C@H](NC(=O)[C@H](C)Oc1cccc(Cl)c1)c1ccc(C)cc1 20489019 WADOBBFMFNBBNW-KSSFIOAISA-N 331.843 4.683 0 40 EJAB COc1cc2ccccc2cc1C(=O)N[C@H](C)c1ccc(C)cc1C 20491695 MYNVSRTWPKHWTL-MRXNPFEDSA-N 333.431 4.956 0 40 EJAB C[C@H](Nc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 24060261 RKCIAGOUBYRZSB-INIZCTEOSA-N 332.403 4.918 0 40 EJAB Cc1cccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 24369871 TXVULNJNQLFYBI-UHFFFAOYSA-N 348.246 4.680 0 40 EJAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccoc1 24471495 VYRJXSWEPSNPHN-UHFFFAOYSA-N 338.329 4.541 0 40 EJAB Cc1ccc(NC(=O)[C@@H](c2ccc(Cl)cc2)N2CCCCC2)cc1 57049687 XRXSAOYZUCDCSA-LJQANCHMSA-N 342.870 4.814 0 40 EJAB Cc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccc(C)c(C)c2)c(C)c1 59351619 SEQWKONFOURCEF-ROUUACIJSA-N 325.452 4.565 0 40 EJAB O=C(CSCc1ccc(Cl)c2cccnc12)Nc1ccccc1 60514718 AWGOKHZMEKUJDB-UHFFFAOYSA-N 342.851 4.760 0 40 EJAB COc1ccc([C@H]2CCCCCN2C(=O)c2ccc3cc[nH]c3c2)cc1 71817294 OOLIBJFWUVSAKJ-OAQYLSRUSA-N 348.446 4.934 0 40 EJAB Cc1cc([C@@H]2CCCCN2C(=O)OCc2ccccc2)cnc1Cl 72217810 TVTGGDQLDNIIDL-KRWDZBQOSA-N 344.842 4.907 0 40 EJAB COc1ccc([C@H](C)N(C)Cc2c(C(C)C)[nH]c3ncccc23)cc1 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334.500 4.633 0 40 EJAB Fc1cc(F)cc(C2CC(Nc3ccc(-c4cnco4)cc3)C2)c1 554854003 IUMLMXFQWWRFHX-UHFFFAOYSA-N 326.346 4.978 0 40 EJAB COc1ccc(/C=C(\C)c2nc(O)c3ccsc3n2)cc1SC 585139776 AGXYGNNSSPKFIG-CSKARUKUSA-N 344.461 4.688 0 40 EJAB Cc1cccc(Oc2ccc(NC(=O)c3ccccc3C(=O)O)cc2)c1 277195 CHHYAVQJVHRVPE-UHFFFAOYSA-N 347.370 4.738 0 40 EJAB Cc1ccc(OCC(=O)Nc2ccc(Nc3ccccc3)cc2)cc1 357758 VFVSVTOQCJTAGM-UHFFFAOYSA-N 332.403 4.756 0 40 EJAB Cn1c(SCc2ccc(C(C)(C)C)cc2)nnc1-c1ccco1 530417 IZGXFWVGTLQBRG-UHFFFAOYSA-N 327.453 4.665 0 40 EJAB CCOc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1OCC 985515 SBERILQKPNQJPC-UHFFFAOYSA-N 327.424 4.662 0 40 EJAB COc1ccc(Cl)c(NC(=O)Nc2cc(Cl)ccc2C)c1 1741519 ITSCLXXPEHDDSW-UHFFFAOYSA-N 325.195 4.954 0 40 EJAB O=C(CCC(=O)c1cccs1)Nc1cc(Cl)cc(Cl)c1 3372494 XMKYYSSBYHVSMD-UHFFFAOYSA-N 328.220 4.657 0 40 EJAB Cc1cc(C)c(C)c(-c2nnc(NC(=O)c3ccccc3)s2)c1C 4070340 RTBYHPWDLXFDDB-UHFFFAOYSA-N 337.448 4.691 0 40 EJAB COc1cc2c(cc1OC)[C@H]1CCCC[C@@H]1O[C@@H]2c1ccc(F)cc1 4783956 YCLLGORVUPSCES-FYINFDKHSA-N 342.410 4.989 0 40 EJAB C[C@@H](CCc1ccccc1)NC(=O)/C=C/c1cccc(C(F)(F)F)c1 5517454 KFAYYNOPWQSBSJ-LHNRBYRGSA-N 347.380 4.856 0 40 EJAB CCN(C(=O)c1csc(-c2ccc(C)cc2)n1)c1ccc(F)cc1 12745177 ZEWACVYETIMRCJ-UHFFFAOYSA-N 340.423 4.924 0 40 EJAB CC(C)c1noc([C@@H](C)N2CC=C(c3c[nH]c4ccccc34)CC2)n1 12900243 VSRRRSCSTJPIJN-CQSZACIVSA-N 336.439 4.525 0 40 EJAB CSCc1ccc(C(=O)Nc2ccc(-c3nccs3)cc2)cc1 14184156 PTQGQUKOWQLDIF-UHFFFAOYSA-N 340.473 4.925 0 40 EJAB COc1ccccc1NC(=O)CCc1ccc(-c2ccccc2F)o1 14184500 ZRGKFAUEYQCJHQ-UHFFFAOYSA-N 339.366 4.666 0 40 EJAB COc1ccccc1NC(=O)c1ccc(Oc2ccc(F)cc2)cc1 14673846 PZEUPVTYJIJDOJ-UHFFFAOYSA-N 337.350 4.879 0 40 EJAB Cc1cc(NC(=O)c2ccccc2Cl)ccc1-c1ccc(CO)o1 20137803 CLCMHOSRWUUWFZ-UHFFFAOYSA-N 341.794 4.653 0 40 EJAB CCOc1ccccc1CNC(=O)[C@@H](C)Sc1ccc(Cl)cc1 20458761 GFOQLUFAOHINBA-CYBMUJFWSA-N 349.883 4.536 0 40 EJAB CCOc1ccccc1CNC(=O)[C@H](C)Sc1ccc(Cl)cc1 20458764 GFOQLUFAOHINBA-ZDUSSCGKSA-N 349.883 4.536 0 40 EJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N1c2ccccc2C[C@H]1C 20490078 COOUOLQAVKIERJ-OPAMFIHVSA-N 345.442 4.975 0 40 EJAB Cc1cc(C)cc(Nc2nn(-c3ccccc3)c3c2C(=O)C[C@H](C)C3)c1 20672018 UZLPXNOAAGUKRB-MRXNPFEDSA-N 345.446 4.998 0 40 EJAB O=C(Nc1ccccc1)Nc1ccc(NC(=O)c2cccc(F)c2)cc1 23011108 YPLXRLRIZUCZPN-UHFFFAOYSA-N 349.365 4.722 0 40 EJAB CN(CC(=O)Nc1cccc(Cl)c1Cl)[C@@H]1CCc2ccccc21 29483142 GSAJXLASTZAOOU-MRXNPFEDSA-N 349.261 4.551 0 40 EJAB C[C@@H](NC(=O)N(C)Cc1ccccc1C(F)(F)F)c1ccccc1 32794932 UULRKCUURUAEFF-CYBMUJFWSA-N 336.357 4.608 0 40 EJAB Cc1ccc(N2C(=O)/C(=C/c3ccsc3)c3ccccc3C2=O)cc1 37189605 QBSCPSGTGZFXRI-XDHOZWIPSA-N 345.423 4.784 0 40 EJAB Cc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2cc(C)ccc2C)c(C)c1 38754185 QONRLBASLJINDR-ZWKOTPCHSA-N 325.452 4.565 0 40 EJAB O=c1[nH]c(CSCc2cccc3ccccc23)nc2ccsc12 46806597 PJGLXVDJKWFRJU-UHFFFAOYSA-N 338.457 4.571 0 40 EJAB Cc1cc2oc(=O)cc(CN3CCC[C@H]3c3ccccc3)c2cc1C 57481546 QZROIFWKGVEPBX-FQEVSTJZSA-N 333.431 4.747 0 40 EJAB COc1ccc2c(C)cc3nnc(SCc4ccccc4C)n3c2c1 58152711 QVYROYUOGNOSMI-UHFFFAOYSA-N 349.459 4.800 0 40 EJAB CC[C@@H](NC(=O)COc1ccc2ccccc2c1)c1ccc(C)cc1 59351745 AHIVMPYMWCJTMH-OAQYLSRUSA-N 333.431 4.795 0 40 EJAB C[C@H](OC(=O)c1cccn1Cc1cccs1)c1cccc(F)c1 62584739 ALDHBXZSYYCGAR-ZDUSSCGKSA-N 329.396 4.655 0 40 EJAB O=C(CCc1nc2ccccc2s1)N1CCCC[C@H]1c1ccco1 70019878 RZFHZPPNWVUSFV-HNNXBMFYSA-N 340.448 4.576 0 40 EJAB CC(C)(C)OC(=O)N1CCC[C@@H](c2cccc(Br)c2)C1 72187435 WXELUJTUWXJRDE-CYBMUJFWSA-N 340.261 4.564 0 40 EJAB CCN1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 72215433 OMIWARQJOVQPLL-QGZVFWFLSA-N 345.487 4.532 0 40 EJAB CSc1ncccc1[C@@H]1CCCCN1C(=O)OCc1ccccc1 72216971 PZGJZAHLVCVXTO-KRWDZBQOSA-N 342.464 4.667 0 40 EJAB Cc1cnc([C@@H](C)N[C@@H](C)c2ccc(F)cc2OC(F)F)s1 95969007 VULRKBJRUJEOHP-VHSXEESVSA-N 330.375 4.604 0 40 EJAB O=C1Nc2cc(Cl)ccc2/C1=C\c1ccc(Br)s1 101274724 HJMDESBVVKOIFD-UXBLZVDNSA-N 340.629 4.657 0 40 EJAB Cc1ccc(NC(=O)[C@H](c2ccccc2)N2C[C@H](C)C[C@@H](C)C2)cc1 102376751 FTLSGFLBFISHGF-OPYAIIAOSA-N 336.479 4.653 0 40 EJAB CC[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1)c1ccc(C)cc1 113943589 XTDCNRBECPGJOS-KSSFIOAISA-N 331.843 4.683 0 40 EJAB Cc1ccc(-c2nc3cc(Br)cc(Cl)c3[nH]2)cc1N 216919786 XDUXUAQYROXMQV-UHFFFAOYSA-N 336.620 4.536 0 40 EJAB C[C@H]1Cc2ccccc2N1C(=O)Cc1ccc(-c2ccccc2)cc1 224978893 SBDJPUOMDMWXSV-KRWDZBQOSA-N 327.427 4.874 0 40 EJAB CCOC(=O)c1ccc(NC(=S)NC2CCCCCCC2)c(C)c1 225517846 RKXHBZYGGBCMDT-UHFFFAOYSA-N 348.512 4.571 0 40 EJAB CCCCOc1c(C)cc(NC(=O)[C@](C)(CC(C)C)OC)cc1C 225608849 SCSUGZUXJNETEM-FQEVSTJZSA-N 335.488 4.872 0 40 EJAB CC[C@H](CNC(=S)Nc1ccc(C)c(C)c1)Cc1ccccc1 225629543 ADBYSPZIOLBHQN-KRWDZBQOSA-N 326.509 4.859 0 40 EJAB CCCO[C@]1(C(=O)Nc2ccc(OCC)c(C)c2)CCC[C@@H](C)C1 225664924 IIFPFURGSKSKGG-FOIQADDNSA-N 333.472 4.708 0 40 EJAB Cc1cccc([C@H](NC(=O)CCc2ccccc2F)c2ccccc2)c1 225695588 WPBIDKMDKIEJMM-HSZRJFAPSA-N 347.433 4.973 0 40 EJAB Cc1cc(O[C@H](C)C(=O)NC(C)(C)Cc2ccccc2)ccc1Cl 225725716 QFWOFIHOBYRGHT-OAHLLOKOSA-N 345.870 4.553 0 40 EJAB O=C(Oc1ccc(-c2ccccc2)nn1)c1cccc2ccccc12 408526671 ABXIAPQCWBBTEH-UHFFFAOYSA-N 326.355 4.516 0 40 EJAB CN(Nc1nnc(Cc2ccccc2)c2ccccc12)c1ccccc1 2274665 PTQPRQNXUPUBEC-UHFFFAOYSA-N 340.430 4.684 0 40 EJAB CSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1 2571685 DUMRRRKOMBNVAR-UHFFFAOYSA-N 336.247 4.963 0 40 EJAB Cc1ccc(NC(=S)N2CCn3cccc3[C@@H]2c2ccccc2)cc1 4059412 KCWGTENJSCSAJW-FQEVSTJZSA-N 347.487 4.599 0 40 EJAB CCCCCOc1ccc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)cc1 5027438 VWQQGHCVKBHDQE-HKWRFOASSA-N 349.430 4.909 0 40 EJAB COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CC2)cc1Cl 6302636 MLNJPNLJARSSQH-UHFFFAOYSA-N 336.218 4.672 0 40 EJAB COc1ccc(-c2csc(NC(=O)c3cccc(C)c3C)n2)cc1 7641405 TVYKRMSPUOLBOI-UHFFFAOYSA-N 338.432 4.688 0 40 EJAB COc1ccc(C)cc1NC(=O)c1cc(C2CC2)nc2ccccc12 8157023 GVIKAIUKNHKEIB-UHFFFAOYSA-N 332.403 4.682 0 40 EJAB C[C@@H](NC(=O)[C@@H](C)N(C)Cc1ccc2ccccc2c1)c1ccccc1 12767382 YZPQRRYNVAHOEH-QZTJIDSGSA-N 346.474 4.538 0 40 EJAB C[C@@H](NC(=O)c1csc(-c2cccs2)n1)c1ccc(F)cc1 12770470 UKLMRQMAPFBHMS-SNVBAGLBSA-N 332.425 4.502 0 40 EJAB CCSc1ccc(NC(=O)[C@H](C)Sc2ccccc2N)s1 13579070 XRUJXSBDTCOVMF-JTQLQIEISA-N 338.523 4.562 0 40 EJAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(Cl)cc1 13689058 MHDFZUNJDBZFHR-CYBMUJFWSA-N 325.795 4.899 0 40 EJAB Cc1cc(S(=O)(=O)Nc2cc(Cl)ccc2C)c(C)cc1Cl 14257084 YTXNSIYKIWSSBE-UHFFFAOYSA-N 344.263 4.719 0 40 EJAB Cc1cccc(O[C@@H](C)C(=O)N[C@H](CC(C)C)c2ccccc2)c1 20456448 CMIYMCDKPIVPBG-FXAWDEMLSA-N 325.452 4.666 0 40 EJAB COc1ccccc1-c1csc(-c2cccc(OC)c2OC)n1 21474178 BWHGWWGPCYMAFP-UHFFFAOYSA-N 327.405 4.503 0 40 EJAB C[C@@H](Sc1ccccc1)C(=O)NCc1cccc(C(F)(F)F)c1 24578151 FXNSBQUDVHVRIF-GFCCVEGCSA-N 339.382 4.502 0 40 EJAB O=C(N[C@H](c1ccc2c(c1)CCCC2)c1cccs1)c1ccncc1 24658801 WEUWAKXLNMIHFT-HXUWFJFHSA-N 348.471 4.541 0 40 EJAB CSc1ccc(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)cc1 25072217 YXTQQSIXGXEUEC-UHFFFAOYSA-N 343.839 4.704 0 40 EJAB C[C@H](c1ccccc1)N(C)C(=O)Cc1csc(-c2ccsc2)n1 25615312 QTDIJYGWFVHYNB-CYBMUJFWSA-N 342.489 4.634 0 40 EJAB CN(CCC(=O)Nc1ccccc1Cl)[C@H]1CCCc2ccccc21 26927722 KXCSIKKGHVBVSG-IBGZPJMESA-N 342.870 4.678 0 40 EJAB CC(C)C(=O)N(Cc1cccc2[nH]ccc12)Cc1cccc2[nH]ccc12 30825568 WKIJUXJLUGIBOD-UHFFFAOYSA-N 345.446 4.834 0 40 EJAB O=C(Cc1csc(Cc2cccc(Cl)c2)n1)Nc1ccccc1 36394685 AKVPHQVZVVARMT-UHFFFAOYSA-N 342.851 4.569 0 40 EJAB CC(C)Oc1ccc(CNC(=O)c2ccc(C(C)(C)C)cc2)cc1 36559441 BQCVMQHIKNMFPX-UHFFFAOYSA-N 325.452 4.701 0 40 EJAB O=C(Nc1cccc(Br)c1)Nc1cc(Cl)ccc1F 51354388 WRRYTSDHAMRTMK-UHFFFAOYSA-N 343.583 4.886 0 40 EJAB CCCCOc1ccc2cc(C(=O)N(CC)Cc3ccco3)[nH]c2c1 57985988 NXIVPQNSZLHSMS-UHFFFAOYSA-N 340.423 4.602 0 40 EJAB Cc1ccc2c(c1)CCCN2C(=O)c1cc2cc(C)ccc2nc1C 58081504 AIYUJNGAZLEMJF-UHFFFAOYSA-N 330.431 4.753 0 40 EJAB C[C@@H](NCc1ccccc1Cl)C(=O)Nc1ccc(C(C)(C)C)cc1 58148746 WPBRHFPEANOZOL-CQSZACIVSA-N 344.886 4.754 0 40 EJAB CC[C@H](Oc1ccc(C)cc1)C(=O)N[C@H](C)c1cc(C)ccc1C 59351520 NBBSVZDCVQXPIE-XLIONFOSSA-N 325.452 4.647 0 40 EJAB O=C(Nc1ccncc1)N[C@H](c1ccccc1)c1cc2ccccc2o1 70003781 DHBYZKSSDBVDBI-HXUWFJFHSA-N 343.386 4.739 0 40 EJAB CC(C)(C)c1[nH]c2ncccc2c1CN1CCC(c2ccncc2)CC1 72393639 ODUFYCYVUQNMGM-UHFFFAOYSA-N 348.494 4.635 0 40 EJAB CC(C)(C)c1csc([C@H]2CCCCN2C(=O)CCc2ccco2)n1 76042957 URFUENDGOVHOTP-OAHLLOKOSA-N 346.496 4.720 0 40 EJAB Cc1cc(O)ccc1-c1nc(-c2cccnc2Oc2ccccc2)no1 97102682 OSUUEOIDLQKQDA-UHFFFAOYSA-N 345.358 4.605 0 40 EJAB CC1=C(O)[C@H]2C=CC=C[C@@H]2[C@](O)(c2ccccc2)[C@@H]1c1ccccc1 101020195 ZCHJZBGEFBTBLF-VVSUKSJXSA-N 330.427 4.862 0 40 EJAB COc1cccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@H]3[C@@H]2[C@H]2CC[C@@H]3C2)c1 169679174 GAHFOJIJYCNZSE-IEZHZQBZSA-N 349.430 4.690 0 40 EJAB COc1ccc(C(=O)CCc2cccc(C(F)(F)F)c2)cc1F 199732039 XLYMIQVXQNRLQY-UHFFFAOYSA-N 326.289 4.669 0 40 EJAB CC(C)c1ccc(OCC(=O)NCCCc2ccccc2Cl)cc1 218960779 YCFVYSDAPKWGAX-UHFFFAOYSA-N 345.870 4.591 0 40 EJAB C[C@H](Oc1cccc(Cl)c1)C(=O)NCc1cccc2ccccc12 222871425 KGWIBWJJEUGEDL-AWEZNQCLSA-N 339.822 4.577 0 40 EJAB Cc1cc(C)c(C)c(OCC(=O)N[C@H](C)c2cc(C)c(C)cc2C)c1 223452204 NRSPHCOABMEYCY-LJQANCHMSA-N 339.479 4.793 0 40 EJAB CCCC[C@@H](CC)CNC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2 225115463 PFJSEXSCQIBIFH-DLBZAZTESA-N 331.500 4.665 0 40 EJAB CCCOc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cn1 225865137 JBRATYOLUBAOOG-UHFFFAOYSA-N 338.451 4.711 0 40 EJAB C[C@H](C(=O)N1CCCc2occc2C1)c1ccc(Cl)c(Cl)c1 571085355 NXFMDZSVVLYJFV-NSHDSACASA-N 338.234 4.665 0 40 EJAB C[C@H](NC(=O)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1ccccc1 1675831248 JLJFRDQMLDUZIA-OWQGQXMQSA-N 328.843 4.646 0 40 EJAB Cc1cc2ncn(-c3ncnc4sc5c(c34)CCCC5)c2cc1C 90273 VJSRSMNDPLMVFR-UHFFFAOYSA-N 334.448 4.526 0 40 EJAB CC(C)(C)c1cc(CCC(=O)Nc2ccc(Cl)cc2)[nH]c(=S)n1 390632 HQVJAGCOCGMJSU-UHFFFAOYSA-N 349.887 4.661 0 40 EJAB CC(C)(C)c1nnc(NC(=O)Nc2ccc(Cl)c(Cl)c2)s1 548503 BHGNSDKNTQDTIJ-UHFFFAOYSA-N 345.255 4.786 0 40 EJAB COc1ccc(C2=C(C)c3ccc(OC(C)=O)cc3OC2(C)C)cc1 1698386 FBKRESBGJGGEEA-UHFFFAOYSA-N 338.403 4.722 0 40 EJAB biogenic,in-vitro CCc1ccc2nc(NC(=O)CCCc3cccs3)sc2c1 3324852 MMNAXBVNFXOLCD-UHFFFAOYSA-N 330.478 4.882 0 40 EJAB aggregator C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N1CCCc2ccccc21 3404651 UKSALCBLKMSGRB-GFCCVEGCSA-N 349.261 4.773 0 40 EJAB Cc1cccc(N2C(=O)S[C@@H](Nc3ccc(C(C)C)cc3)C2=O)c1 3647961 MRBTUXNPYSYPFJ-QGZVFWFLSA-N 340.448 4.756 0 40 EJAB CSc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(F)c1 3658673 RRPKNSIVJZJLLY-UHFFFAOYSA-N 335.407 4.949 0 40 EJAB Fc1c(F)c(N2CCCCC2)c(F)c2c1C=Nc1ccccc1O2 4455845 XNPFKXMILAQRFR-UHFFFAOYSA-N 332.325 4.951 0 40 EJAB Cc1ccc(-c2cnc(NCc3cccc(Cl)c3)n2C)cc1C 4678747 FHJFQOWDYMQVLP-UHFFFAOYSA-N 325.843 4.969 0 40 EJAB CCOc1ccccc1NC(=O)N1CCS[C@@H]1c1cccc(F)c1 4912003 PKTKDRRDWVGQMQ-QGZVFWFLSA-N 346.427 4.504 0 40 EJAB CCc1cccc(CC)c1NC(=O)CN1CCC[C@@H]1c1cccs1 8320457 VEEGRTUBLRXOQL-QGZVFWFLSA-N 342.508 4.649 0 40 EJAB O=C(Nc1ccc2oc(-c3ccccc3)cc(=O)c2c1)C1CCCCC1 9659967 ZHPWDEJALFGZQF-UHFFFAOYSA-N 347.414 4.979 0 40 EJAB biogenic Cc1[nH]c2ccc(C(=O)N[C@H]3CCSc4ccccc43)cc2c1C 9866013 MSGADYBAEWEVRA-SFHVURJKSA-N 336.460 4.752 0 40 EJAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cccc(C(C)C)c1 12872718 JNSTYIHCUNVCSJ-NRFANRHFSA-N 348.446 4.713 0 40 EJAB S=C(NCCc1ccc(Cl)cc1Cl)Nc1ccccc1 13577065 PHEIVHDGUJGWGL-UHFFFAOYSA-N 325.264 4.523 0 40 EJAB CC(C)c1ccc(-c2nc(CC(=O)Nc3nccs3)cs2)cc1 13689386 CQDWGLMGRUQTGX-UHFFFAOYSA-N 343.477 4.571 0 40 EJAB CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@H](C)c1cc(C)ccc1C 22529727 FLIFOIYPOHBSJM-CRAIPNDOSA-N 345.870 4.992 0 40 EJAB OCc1cccc(Nc2nc(-c3cccs3)nc3ccccc23)c1 23708981 RNVYXPONPFGWNB-UHFFFAOYSA-N 333.416 4.594 0 40 EJAB C[C@H](N[C@@H](C)c1ccccc1Cl)c1nnc(-c2ccccc2)o1 26362655 SJLYNPRQXHSQDD-STQMWFEESA-N 327.815 4.802 0 40 EJAB CC(C)Oc1ccccc1[C@@H]1CC(O)=Nc2c1ncn2-c1ccccc1 31820086 LAVQJLNCYIEYKQ-KRWDZBQOSA-N 347.418 4.783 0 40 EJAB O=C(O)CCCCCCCCCCNC(=O)OCc1ccccc1 32241777 HANGHYNWCBMDNE-UHFFFAOYSA-N 335.444 4.508 0 40 EJAB Cc1cs/c(=N\c2ccc(Cl)cc2Cl)n1C[C@H]1CCCO1 32741520 DCEQLIISJXUGCY-LOPKLFAVSA-N 343.279 4.576 0 40 EJAB Cc1cc(SCC(=O)Nc2ccccc2F)nc2ccc(F)cc12 35586336 RYDCVNLVDBAHMX-UHFFFAOYSA-N 344.386 4.552 0 40 EJAB COCc1ccccc1NC(=O)N[C@H](c1cccs1)C1CCCC1 40105593 BITDWBSYOHCRGR-SFHVURJKSA-N 344.480 4.948 0 40 EJAB Clc1cc2c(c3ncccc13)OCN(CCC1=CCCCC1)C2 54387963 JILMNXAWBYDPHB-UHFFFAOYSA-N 328.843 4.931 0 40 EJAB COc1ccc(-c2nc3cc(C)c(C)cc3[nH]2)cc1Br 70461594 ZPOMDOSSPMFWGE-UHFFFAOYSA-N 331.213 4.618 0 40 EJAB Cc1nc(NC2CCCCC2)sc1C(=O)NC1CCCCCC1 71326678 LZYCGNPBRYFDOA-UHFFFAOYSA-N 335.517 4.649 0 40 EJAB c1coc(-c2nnc(CN3CCCC[C@@H]3c3cc4ccccc4[nH]3)o2)c1 72629204 LMDGWWTZZPCJBC-QGZVFWFLSA-N 348.406 4.538 0 40 EJAB Cc1sc2nc(-c3ccccc3)nc(N3CCSCC3)c2c1C 84065495 LVEAKPBPVNXOLF-UHFFFAOYSA-N 341.505 4.528 0 40 EJAB C[C@H](NC(=O)c1cccnc1Oc1ccc(F)cc1)c1cccs1 95929989 LRQBXHMVEXEFBO-LBPRGKRZSA-N 342.395 4.566 0 40 EJAB Cc1ccc(-c2cc(C(=O)N3C[C@]4(C)C[C@@H]3CC(C)(C)C4)no2)cc1 101245610 XLIVBXLQQPYEOV-HRAATJIYSA-N 338.451 4.691 0 40 EJAB OC1=C2Nc3ccc(Cl)cc3N=C2O[C@H]1c1ccccc1Cl 104240117 PNLAQLCEMNTTPR-HNNXBMFYSA-N 333.174 4.990 0 40 EJAB CCc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1 222722041 GOZYSWPCZVRVEZ-UONOGXRCSA-N 331.843 4.547 0 40 EJAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccccc1)c1ccc(C)c(C)c1 222867599 JWCLMVPCIYJKAB-VQTJNVASSA-N 325.452 4.728 0 40 EJAB C[C@@H](CNC(=O)c1cccc(OCc2ccccc2)c1)c1ccccc1 224270578 RILYREJCCUTIEE-SFHVURJKSA-N 345.442 4.799 0 40 EJAB O=C(Cc1cccc(Cl)c1)NCCCc1cccc2ccccc12 224434852 NSGHSEZZUNRRSV-UHFFFAOYSA-N 337.850 4.785 0 40 EJAB Cc1ccc(CCC(=O)NCc2ccc(Cl)cc2Cl)cc1C 224783730 QHQWNJFVZVOWQX-UHFFFAOYSA-N 336.262 4.859 0 40 EJAB CCCOc1ccc(NC(=O)[C@]2(OC)CCC[C@@H](C)C2)cc1Cl 225639416 URUCGWYMBRKPSW-ACJLOTCBSA-N 339.863 4.663 0 40 EJAB COc1cccc(NC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)c1 225761145 PMKDOECOOABVGW-CQSZACIVSA-N 326.440 4.875 0 40 EJAB Cc1ccc(C2(C(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)cc1 225940508 OHSVNNWRYYAIED-UHFFFAOYSA-N 335.325 4.564 0 40 EJAB CC(=O)N[C@@H]1C[C@H](c2c(Cl)cccc2Cl)O[C@@H]2CCCC[C@@H]12 257272582 NCYSTLYFZJCGRU-AEAUEXCSSA-N 342.266 4.518 0 40 EJAB COc1ccc(OC)c(NC(=O)c2ccc(-c3ccccc3)cc2)c1 22067 CHMGWUBVANHTDI-UHFFFAOYSA-N 333.387 4.623 0 40 EJAB Cc1cc(C)c(NC(=O)c2ccc(C)c(Br)c2)c(C)c1 38558 JDVHQDQJVAKXQZ-UHFFFAOYSA-N 332.241 4.935 0 40 EJAB Clc1ccc(-c2nc3c4c5c(sc4ncn3n2)CCCC5)cc1 520832 RLARIXIUUVNGGS-UHFFFAOYSA-N 340.839 4.538 0 40 EJAB CCCc1nc(SCC(=O)c2ccc(F)cc2)c2ccccc2n1 1342790 BXUDTGUACXXLEB-UHFFFAOYSA-N 340.423 4.696 0 40 EJAB COCCNP1(=O)C=C(c2ccccc2)OC(c2ccccc2)=C1 3212490 HXLPUFYZXFYXRV-UHFFFAOYSA-N 341.347 4.528 0 40 EJAB Cc1ccc2cc3c(N)c(C(=O)c4ccc(F)cc4)sc3nc2c1 4125267 MBWZCYAICILHKT-UHFFFAOYSA-N 336.391 4.710 0 40 EJAB Cc1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)cc1O 4659744 QSNKJZAMTZLMSA-UHFFFAOYSA-N 331.415 4.861 0 40 EJAB CCn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc21 5266197 XAEASRIIEZEKAT-UHFFFAOYSA-N 345.349 4.907 0 40 EJAB Cc1ccc(N2C(=O)c3cccc4c(Cl)ccc(c34)C2=O)c(C)c1 5553270 YFFMOTOAVHAMBP-UHFFFAOYSA-N 335.790 4.911 0 40 EJAB Cc1nc(SCc2csc(C)n2)c2c3c(sc2n1)CCC3 6114110 GSBMEHBGSNVFKC-UHFFFAOYSA-N 333.507 4.546 0 40 EJAB Cc1cc(C(=O)CSc2ccccc2F)c(C)n1-c1nccs1 6404710 AQLLQKNHRHULPK-UHFFFAOYSA-N 346.452 4.665 0 40 EJAB CC[C@H](C)NS(=O)(=O)c1ccc(Sc2cc(C)ccc2C)cc1 6937792 PVFOOGMDZJEUNS-HNNXBMFYSA-N 349.521 4.531 0 40 EJAB CCc1ccc(Cl)c(CC)c1NC(=O)CCc1c(C)noc1C 8944570 OBEIGWZMGROQIW-UHFFFAOYSA-N 334.847 4.641 0 40 EJAB CCCOc1ccc(C(=O)NCc2cccc3ccccc23)cc1OC 10001997 KFIQMZGXUMGRCC-UHFFFAOYSA-N 349.430 4.567 0 40 EJAB Cc1cc(Cl)ccc1OCC(=O)Nc1cccc(OCC(C)C)c1 12138039 IQXJHDCOGSBIMC-UHFFFAOYSA-N 347.842 4.701 0 40 EJAB COc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2Cl)cc1 14258364 NZZTURNDMFRINJ-UHFFFAOYSA-N 329.705 4.620 0 40 EJAB C[C@@H](OC(=O)c1occc1-c1ccccc1)C(=O)c1ccc(F)cc1 16537763 MEQYNOVYILMGLY-CYBMUJFWSA-N 338.334 4.514 0 40 EJAB CC[C@H](Oc1cccc2ccccc12)C(=O)N1CCCC(C)(C)C1 20049000 PDOPLZMMPCZGDD-SFHVURJKSA-N 325.452 4.646 0 40 EJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(F)c(F)c1 20050157 YRHYDSCJKYMSNM-LJQANCHMSA-N 341.357 4.914 0 40 EJAB CCOc1ccc(-c2cc(C(=O)Oc3cc(C)cc(C)c3)no2)cc1 20896771 WHMJLGNAKIAMCX-UHFFFAOYSA-N 337.375 4.576 0 40 EJAB Cc1noc(C)c1CCC(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1 23143655 KSJPGNVBLTVLLJ-OAHLLOKOSA-N 348.446 4.768 0 40 EJAB CC[C@H](C)c1ccc(NC(=O)C[C@H](C(=O)O)c2ccc(F)cc2)cc1 25206328 UIRARYZNPMYLGD-UGSOOPFHSA-N 343.398 4.536 0 40 EJAB C[C@@H]1CCc2noc(NC(=O)c3sc4ccccc4c3Cl)c2C1 27794550 LUGYWNNZKBPJRG-SECBINFHSA-N 346.839 4.920 0 40 EJAB Cc1ccc(NC(=O)Nc2cc(C)nn2-c2ccc(F)cc2)c(C)c1 28219970 MNFQLEAUUBSALM-UHFFFAOYSA-N 338.386 4.581 0 40 EJAB O=C(Cc1csc(Cc2ccccc2)n1)Nc1cccc(Cl)c1 31546854 KWFZLDDHPHWBTH-UHFFFAOYSA-N 342.851 4.569 0 40 EJAB C[C@H](c1cc2ccccc2o1)N(C)C(=O)[C@]1(C)CC1(Cl)Cl 32754303 OSFITVDRVXRQIQ-BMIGLBTASA-N 326.223 4.536 0 40 EJAB CC[C@H](Oc1cccc(C)c1C)C(=O)N(C)Cc1ccc(Cl)cc1 38754866 QJHAKCUYBRQNHS-SFHVURJKSA-N 345.870 4.773 0 40 EJAB COc1ccc(S[C@@H](C)C(=O)N[C@H](C)c2ccc(C)cc2C)cc1 38772698 IGZZPOVLEGUAKL-CVEARBPZSA-N 343.492 4.670 0 40 EJAB Fc1cccc(Cl)c1CN(C(=S)NC1CCCCC1)C1CC1 40023698 HZJDAOKRJOPOEI-UHFFFAOYSA-N 340.895 4.651 0 40 EJAB Cc1ccc(NC(=O)C(C)(C)Oc2ccc(Br)cc2)cc1 57314126 HSLMCEKOTAKGBS-UHFFFAOYSA-N 348.240 4.554 0 40 EJAB CN(C(=O)c1cc(-c2cccc(Cl)c2)[nH]n1)c1ccccc1Cl 57412725 ILSOLXPJKOCNSZ-UHFFFAOYSA-N 346.217 4.660 0 40 EJAB O=C(C1CC(c2ccccc2)C1)N1CCCCC[C@@H]1c1ccncc1 65515326 PJPKAXBRGZBUCQ-XVAXZDLZSA-N 334.463 4.719 0 40 EJAB O=C(Nc1ccc(Oc2ccncc2)cc1)[C@H]1CCCc2ccccc21 70005517 WDARHPOFUYBMIL-NRFANRHFSA-N 344.414 4.933 0 40 EJAB Cc1[nH]c(=S)ccc1[C@H]1CCCCN1C(=O)OCc1ccccc1 72218411 ZIDHQYKXICBYDW-QGZVFWFLSA-N 342.464 4.916 0 40 EJAB O=C(Nc1ccccc1-c1ccccc1)N[C@@H]1CCOc2ccccc21 84562827 NGDGFOFXGHQJQP-HXUWFJFHSA-N 344.414 4.999 0 40 EJAB C[C@@H](NC(=S)N1CCCCC[C@@H]1c1ccncc1)c1ccccc1 84656611 CZZPYZOVVLHTPW-VQIMIIECSA-N 339.508 4.634 0 40 EJAB O=C(Nc1ccccc1CCC(F)(F)F)c1cccc(F)c1F 89813889 OORPJGRORCTLRP-UHFFFAOYSA-N 329.268 4.712 0 40 EJAB Clc1ccc(CN2CCc3sc(Br)cc3C2)cc1 95097542 WTMABNPXNSBIDQ-UHFFFAOYSA-N 342.689 4.722 0 40 EJAB O=C(c1cccc(Br)c1)c1ccccc1OC(F)(F)F 95917444 IZDZWXPMLSWDPX-UHFFFAOYSA-N 345.114 4.579 0 40 EJAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccc(F)cc1)c1ccc(C)cc1C 219328252 OEBQUHRLKNAHJR-VQTJNVASSA-N 343.442 4.867 0 40 EJAB Cc1cc(C)c([C@@H](C)NC(=O)COc2ccc(Cl)c(C)c2)cc1C 223451416 MMOBOTHMNNGFRQ-MRXNPFEDSA-N 345.870 4.830 0 40 EJAB Cc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)cc1 223652547 ORXNEVYWBCJTTK-DLBZAZTESA-N 337.463 4.519 0 40 EJAB COc1ccc(C(=O)Nc2ccccc2)cc1COc1ccccc1C 224096157 ACMYDVCPRJLOPB-UHFFFAOYSA-N 347.414 4.835 0 40 EJAB CC[C@@H](C)Oc1ccc(NC(=O)[C@]2(OC)CCC[C@@H](C)C2)cc1C 225637590 SLENYYWZSNJQRK-KKVAFCGZSA-N 333.472 4.706 0 40 EJAB C[C@H](O)c1cccc(NC(=O)C(c2ccccc2)c2ccccc2)c1 226274121 IPGLMOULHJBQKC-INIZCTEOSA-N 331.415 4.511 0 40 EJAB COc1cccc(-c2coc3cc4oc(=O)c5c(c4cc23)CCC5)c1 95348 UXAFUQQQFJCPMD-UHFFFAOYSA-N 332.355 4.704 0 40 EJAB biogenic CC1(C)CN=C(N(Cc2ccccc2)C(=O)Nc2ccccc2)S1 497274 CFYVRWGQGFBSSD-UHFFFAOYSA-N 339.464 4.602 0 40 EJAB Cc1cc(Nc2nc3ccccc3nc2Cl)n(-c2ccccc2C)n1 523513 TZSVTUMYZPAHHZ-UHFFFAOYSA-N 349.825 4.829 0 40 EJAB Cc1ccc(-c2cc(C(F)F)nc3sc4c(=O)[nH]cnc4c23)s1 2732320 VEPMMHPFGAKMSX-UHFFFAOYSA-N 349.387 4.507 0 40 EJAB O=c1c2ccccc2nc(-c2cccs2)n1-c1ccc(Cl)cc1 3149989 AMFYPCFIYONZNH-UHFFFAOYSA-N 338.819 4.768 0 40 EJAB Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1ccc(Cl)c(Cl)c1 4772177 IBEWSOWIGYJQQC-UHFFFAOYSA-N 347.201 4.605 0 40 EJAB COCc1nc2ccccc2n1CCCOc1cccc2ccccc12 4908452 FFFBQBBELYEYNT-UHFFFAOYSA-N 346.430 4.805 0 40 EJAB O=c1c2c(-c3ccc4ccccc4c3)ccnc2[nH]n1-c1ccccc1 4975252 FHGLFVHTGMGZGN-UHFFFAOYSA-N 337.382 4.534 0 40 EJAB Cc1cc(Cl)ccc1NC(=O)COc1ccc(C(C)(C)C)cc1 5471167 DUEAAQWBAAMFEA-UHFFFAOYSA-N 331.843 4.963 0 40 EJAB N#C/C(=C/c1ccc(-c2cccc(C(=O)O)c2)o1)c1ccc(C#N)cc1 5996164 NYJYQAKRHAUHJA-WQRHYEAKSA-N 340.338 4.581 0 40 EJAB CCOC(=O)c1ccc(NC(=O)c2ccccc2SC(C)C)cc1 8050013 XRODEPPQKLVNDQ-UHFFFAOYSA-N 343.448 4.616 0 40 EJAB Cc1ccc(/C=C/C(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1 8673455 CMAFKOZTXYXWLP-ZHACJKMWSA-N 346.430 4.556 0 40 EJAB O=C(Nc1nc2ccc(Oc3ccccc3)cc2s1)c1cccnc1 12800547 PHEJRIIOSXYFIO-UHFFFAOYSA-N 347.399 4.736 0 40 EJAB O=C(CCc1ccco1)N1CCc2sccc2[C@@H]1c1cccs1 14180926 JPEONVCDZPXUBK-GOSISDBHSA-N 343.473 4.510 0 40 EJAB C[C@H](NC(=O)c1ccc(Cl)s1)c1cccc(C(F)(F)F)c1 15694936 LRWSESNDZLLBKI-QMMMGPOBSA-N 333.762 4.911 0 40 EJAB COc1cc(CNCc2ccccc2)ccc1OCc1ccccc1C 16362796 SIHHNJZRKOXHAV-UHFFFAOYSA-N 347.458 4.872 0 40 EJAB COc1cc(CN(C)[C@@H]2CCCc3ccccc32)ccc1OC(F)F 32751336 TVLSPUUKQVLXNZ-QGZVFWFLSA-N 347.405 4.806 0 40 EJAB COc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)c3ccccc3N2)cc1 35572159 LVQCLOITQVREAB-KRWDZBQOSA-N 340.423 4.604 0 40 EJAB COc1cccc(-c2nc(CNc3cccc(C(C)=O)c3)cs2)c1 39987704 MGOZEJLMGCZMKM-UHFFFAOYSA-N 338.432 4.633 0 40 EJAB C[C@@H](NC(=S)NCc1cccs1)c1cccc2ccccc12 57767256 BXMSPGAIHINKME-CYBMUJFWSA-N 326.490 4.627 0 40 EJAB O=C(O)c1cccc2c1N[C@@H](c1ccc(F)cc1)[C@@H]1[C@@H]2[C@@H]2CC[C@@H]1C2 100263790 XRZXZBRJZSEQSF-WIGVXDQRSA-N 337.394 4.820 0 40 EJAB CCc1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 106690083 LXQGWDWGRBDWBV-BOPFTXTBSA-N 341.407 4.625 0 40 EJAB Cc1cc(N)c(NC(=O)c2ccccc2)cc1N1[C@H](C)CCC[C@H]1C 216866743 DGWUGTJGKLDCDJ-HZPDHXFCSA-N 337.467 4.597 0 40 EJAB C[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1cccc2ccccc12 222871370 KGWIBWJJEUGEDL-CQSZACIVSA-N 339.822 4.577 0 40 EJAB Fc1ccc(NC(=S)NCCCc2ccc(Cl)cc2)c(F)c1 225544083 JWTKLHLXBOZFLP-UHFFFAOYSA-N 340.826 4.537 0 40 EJAB CCCOC1(C(=O)Nc2ccc(O[C@@H](C)CC)cc2)CCCCC1 225656497 TVOXTNAECDIUAB-INIZCTEOSA-N 333.472 4.932 0 40 EJAB C[C@H](N[C@H]1CCCc2nn(C)cc21)c1ccc(Oc2ccccc2)cc1 511030257 KGBUKLQLELIIPW-KKSFZXQISA-N 347.462 4.941 0 40 EJAB Cc1cc(NC(=O)Cc2ccc(F)c(Cl)c2)n(C2CCCCC2)n1 1857523978 HNJJARDABGKWSO-UHFFFAOYSA-N 349.837 4.670 0 40 EJAB O=C(C[C@H](SCc1ccco1)c1cccnc1)c1cccs1 126026 BYPMVTHMFQHSJY-KRWDZBQOSA-N 329.446 4.984 0 40 EJAB c1ccc(CNc2nc3ccccc3n2CCOc2ccccc2)cc1 350003 ORQBWMVNHRPAPM-UHFFFAOYSA-N 343.430 4.727 0 40 EJAB Cc1ccc(C)c(-c2csc(-c3cc4ccc(O)cc4oc3=O)n2)c1 368159 JXUHTPZBLBTUAM-UHFFFAOYSA-N 349.411 4.906 0 40 EJAB COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)C(C)C 514968 GBUKKLJOWBBXHB-UHFFFAOYSA-N 338.407 4.715 0 40 EJAB CN(C)c1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccccc2)cc1 522117 URECTSNXAXRQHO-NRFANRHFSA-N 343.430 4.524 0 40 EJAB O=C(c1ccccc1)c1ccc2c(Br)ccc3c2c1CC3 1723049 HEDHUDNEUSBXIO-UHFFFAOYSA-N 337.216 4.932 0 40 EJAB c1ccc(N2CN(c3ccccc3)CP(c3ccccc3)C2)cc1 2300539 FAPRNLDOPGDKHE-UHFFFAOYSA-N 332.387 4.693 0 40 EJAB CC(C)(C)NCC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 4073711 RDBGRPXIQXRPBJ-UHFFFAOYSA-N 338.278 4.617 0 40 EJAB CC(=O)C1=C(C)C[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 4082193 WYOKDIKHIXWWOC-QFJIJFTOSA-N 328.496 4.826 0 40 EJAB biogenic CC(C)OCCCNC(=O)c1ccc(CSc2ccccc2)cc1 4419119 FITJCVMTCKYURV-UHFFFAOYSA-N 343.492 4.524 0 40 EJAB CCOc1ccc(CNc2ncc(-c3ccc(C)c(C)c3)n2C)cc1 4678989 YYQUTGMRTLCQTQ-UHFFFAOYSA-N 335.451 4.715 0 40 EJAB CSc1nc(S)c2sc3nc(C(C)C)c4c(c3c2n1)CCC4 5324503 FLDQJIFUWKXKPT-UHFFFAOYSA-N 347.534 4.862 0 40 EJAB Cc1ccc(C(=O)[C@@H](Sc2nccn2C)c2ccc(C)cc2)cc1 5358644 AZTYBMRKSDQBDL-IBGZPJMESA-N 336.460 4.753 0 40 EJAB CCc1cc(=O)oc2c(C)c(OCc3cccc(Cl)c3)ccc12 5548017 MSVWAEOYEZUDNR-UHFFFAOYSA-N 328.795 4.896 0 40 EJAB Cc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3cccnc3)c2c1 6637654 ZWKCZAOXYQMZEU-UHFFFAOYSA-N 339.398 4.858 0 40 EJAB COc1cc(CNCC(C)C)ccc1OCc1ccccc1Cl 6883590 BFTBFCBZKSTRHZ-UHFFFAOYSA-N 333.859 4.673 0 40 EJAB CC[C@@H](C)c1ccc(OCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 7072869 ISSHDCLNPHRVSJ-NOCBQHASSA-N 341.495 4.664 0 40 EJAB CCCCOc1ccc(C(=O)Nc2c(C)cccc2CC)cc1OC 7653468 AEFDRKAYUJVAQX-UHFFFAOYSA-N 341.451 4.997 0 40 EJAB CCOc1ccccc1NC(=O)[C@H](CC)Oc1ccc(Cl)cc1 8495968 UDOIMYGVKOEERD-INIZCTEOSA-N 333.815 4.535 0 40 EJAB O=C(CCc1ncc(-c2ccccc2)o1)N1CCC[C@H]1c1ccccc1 12778324 JJUREDSPPRHVQV-IBGZPJMESA-N 346.430 4.638 0 40 EJAB O=C(Cc1c(F)cccc1Cl)N(Cc1ccco1)c1ccccc1 14020068 OTFXORBDZWGVME-UHFFFAOYSA-N 343.785 4.848 0 40 EJAB Cc1ccc(CN2C(=O)S/C(=C/c3c[nH]c4ccccc34)C2=O)cc1 18093434 VVYYVFOMVYVDCL-VCHYOVAHSA-N 348.427 4.713 0 40 EJAB Cc1sc(NC(=O)CCc2ccsc2)nc1-c1ccc(F)cc1 21898410 BYVVEGGDOTTWGA-UHFFFAOYSA-N 346.452 4.890 0 40 EJAB c1ccc([C@@H](NCc2nc3ccccc3s2)c2ccccn2)cc1 26877798 FNFDTQHMJZEVSW-HXUWFJFHSA-N 331.444 4.571 0 40 EJAB COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)Nc1ccc(C)cc1C 28744465 RBHCWZMXKZVYGI-AWEZNQCLSA-N 346.858 4.713 0 40 EJAB CSc1ccc(NC(=O)c2c(-c3ccc(F)cc3)noc2C)cc1 31890611 RTOPHGMPEJCEFQ-UHFFFAOYSA-N 342.395 4.763 0 40 EJAB O=C(Nc1ncc(-c2ccccc2)s1)c1cc(Cl)ccc1F 40087536 ZKLOOTBSZFONFY-UHFFFAOYSA-N 332.787 4.855 0 40 EJAB C[C@H]1c2cccn2CCN1Cc1csc(-c2ccccc2Cl)n1 48345394 ZFLWYWNKDJOFGF-ZDUSSCGKSA-N 343.883 4.842 0 40 EJAB COc1ccc([C@@H](C)NCc2csc(-c3ccsc3)n2)cc1F 50510225 BIJMVYFVTJRERD-LLVKDONJSA-N 348.468 4.870 0 40 EJAB COc1ccc2nc(Nc3nc4cc(Cl)ccc4o3)sc2c1 57353004 NTANXSRPVIJQMJ-UHFFFAOYSA-N 331.784 4.843 0 40 EJAB Cc1cc(Cl)ccc1NC(=O)c1cc(-c2ccccc2Cl)[nH]n1 57412357 NHTSAOJMAUTUJE-UHFFFAOYSA-N 346.217 4.944 0 40 EJAB Cc1ccc(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)cc1Cl 57412370 GJAGPOLBYLEZBW-UHFFFAOYSA-N 346.217 4.944 0 40 EJAB CC(C)(C)CC(C)(C)NC(=O)C(C)(C)Oc1ccc(Cl)cc1 59240699 YMLQJEUGWCPZLG-UHFFFAOYSA-N 325.880 4.828 0 40 EJAB O=C(OCc1ccccc1)N1CCCC[C@H]1c1ccc(=S)[nH]c1 72217032 AIRJXFNXZUHJJO-INIZCTEOSA-N 328.437 4.608 0 40 EJAB COc1ccccc1-c1cccc([C@@H]2CCCN(C3CCCC3)C2)n1 72348533 WFZZZZIAHUZHLP-QGZVFWFLSA-N 336.479 4.879 0 40 EJAB CCOC(=O)c1cccc(OCc2ccc(Cl)cc2Cl)c1 96538907 IHHXXGWOKNASMO-UHFFFAOYSA-N 325.191 4.749 0 40 EJAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Oc1ccc(Cl)cc1Cl)CC2=O 100936361 NKXQNZLZVJYFOR-IRXDYDNUSA-N 341.234 4.684 0 40 EJAB O=C(N1CCCCCC1)C12C[C@@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 102851080 PZZMTVZQDXOCJS-WSUXWNOTSA-N 337.507 4.927 0 40 EJAB Cc1cccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccncc4)=NN23)c1 107536388 HEGDFDINZGQFOO-IRLDBZIGSA-N 341.414 4.632 0 40 EJAB CC(C)c1ccccc1O[C@@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 113954343 RJUWPRFCBYGUGO-GJZGRUSLSA-N 329.415 4.594 0 40 EJAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H](C)c1ccc(F)cc1 113970669 CPIWGPKRMZUKBI-UGSOOPFHSA-N 349.833 4.822 0 40 EJAB CC[C@H](Oc1ccc(C)cc1C)C(=O)N[C@H](C)c1ccc(C)c(C)c1 222971914 GJGSVPUNJIESAI-QUCCMNQESA-N 339.479 4.955 0 40 EJAB O=C(CCc1c(Cl)cccc1Cl)NCCCc1ccccc1 225353136 NCUNEBWMWSESCC-UHFFFAOYSA-N 336.262 4.675 0 40 EJAB C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(-c2ccc(N)cc2Cl)o1 226304697 KNQNCUPLUIRWPW-VXGBXAGGSA-N 332.831 4.585 0 40 EJAB CCC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 945 XTAARPJDFFXHGH-YOJOXZLJSA-N 346.511 4.920 0 40 EJAB biogenic O=C(Oc1ccc(C(=O)c2ccccc2)cc1)c1cccc(Cl)c1 385919 ZOGHEWHQJBWFIM-UHFFFAOYSA-N 336.774 4.790 0 40 EJAB CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(C)c(C)c1 569711 NXPKKPJDGHXODD-CYBMUJFWSA-N 340.492 4.944 0 40 EJAB Cc1cccc(OCC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)c1C 570015 ITCLKRCFJPAAIR-UHFFFAOYSA-N 343.426 4.892 0 40 EJAB CCC(=O)C1(CCCN(C)C)c2ccccc2Sc2ccccc21 1713959 UMHMETXZINDEPA-UHFFFAOYSA-N 339.504 4.758 0 40 EJAB CC[C@H](C)c1ccc([C@@H](CC)N2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1 2733152 WKKACERQTVEMHY-WQANXHIZSA-N 327.468 4.826 0 40 EJAB O=C(CSc1nc2ccccc2s1)NC1CCCCCCC1 3221740 CTBYUYLLQJIZND-UHFFFAOYSA-N 334.510 4.618 0 40 EJAB Cc1ccc2nc(NC(=O)c3ccc(C(F)(F)F)cc3)sc2c1 3314231 PKJGODZJGNFISD-UHFFFAOYSA-N 336.338 4.876 0 40 EJAB O=C(Nc1nc(-c2cccs2)cs1)c1ccc2ncsc2c1 4088388 CPMCPFYXCXJOER-UHFFFAOYSA-N 343.458 4.734 0 40 EJAB Cc1ccccc1C(=O)Nc1nc2c(Br)cccc2s1 4348591 MHTRURXMWZNKEE-UHFFFAOYSA-N 347.237 4.620 0 40 EJAB O=C(CSc1ccc2ccccc2c1)N1CCCc2ccccc21 4886712 MKSGZSUOYJJVCE-UHFFFAOYSA-N 333.456 4.911 0 40 EJAB CCc1ccc(C(=O)CSc2ncnc3c2oc2ccccc23)cc1 5217344 JWCSSUQYXISMED-UHFFFAOYSA-N 348.427 4.913 0 40 EJAB O=C(Nc1ccc(Sc2nc3ccccc3[nH]2)cc1)c1ccccc1 5265495 PAFLQSLVPPIHEZ-UHFFFAOYSA-N 345.427 4.966 0 40 EJAB Cc1cc(C(=O)CSc2nc3ccccc3o2)c(C)n1C(C)C 5628656 ZSKRXTFZVCDHMX-UHFFFAOYSA-N 328.437 4.802 0 40 EJAB C[C@H](NC(=O)CSc1c(Cl)cccc1Cl)c1ccccc1 6000457 UOHQUXLCYYJXAD-NSHDSACASA-N 340.275 4.963 0 40 EJAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc2ccccc12 6152820 AICAXQWDLNNFEX-CYBMUJFWSA-N 325.795 4.899 0 40 EJAB Fc1ccc(NC(=S)NN(c2ccccc2)c2ccccc2)cc1 6475480 VCXUVGIFNPLVRM-UHFFFAOYSA-N 337.423 4.865 0 40 EJAB COCc1c(C(=O)N[C@@H](c2cccs2)C2CC2)oc2ccccc12 9364693 JZVMUCWSJYCIMQ-QGZVFWFLSA-N 341.432 4.522 0 40 EJAB CC[C@@H](C)c1ccc([C@@H](NC(=O)NCc2ccccn2)C(C)C)cc1 9794761 WSKGJHIHQFFYOU-UZLBHIALSA-N 339.483 4.792 0 40 EJAB COc1ccc2cc(CNC(=O)N(C)[C@H](C)c3ccccc3)ccc2c1 10495851 ZTZNEIJXVJPKSM-MRXNPFEDSA-N 348.446 4.751 0 40 EJAB Oc1ccccc1C1=Nc2nc3ccccc3n2[C@H](c2ccccc2)C1 13127818 ANQWQLGUIIXYDF-FQEVSTJZSA-N 339.398 4.856 0 40 EJAB Cc1ccc2nc(-c3ccc(CNC(=O)c4cccs4)cc3)oc2c1 16348670 PGGWOXRWRQILAJ-UHFFFAOYSA-N 348.427 4.795 0 40 EJAB Cc1cc(C)cc(Nc2ncnc3c2cnn3-c2cccc(Cl)c2)c1 17010884 YPGXPBALZOFQHV-UHFFFAOYSA-N 349.825 4.829 0 40 EJAB CCSc1ccccc1NC(=O)COc1ccc(C(C)C)cc1 38754452 LJADAGBUHHZFCP-UHFFFAOYSA-N 329.465 4.940 0 40 EJAB COc1ccc(-c2nc(CSc3ncccc3Cl)co2)cc1 43896119 ZKWMMFTWXRQHOZ-UHFFFAOYSA-N 332.812 4.691 0 40 EJAB Fc1cccc(-c2nc(CN3CCC[C@H]3c3ccsc3)co2)c1 46088973 IMNLAHMKGPIBCB-KRWDZBQOSA-N 328.412 4.879 0 40 EJAB C[C@H](Sc1ncc(-c2ccc(F)cc2)[nH]1)c1nc(C(C)(C)C)no1 48325630 VYMLFNDMZQXPTA-JTQLQIEISA-N 346.431 4.750 0 40 EJAB CC(C)(NCc1cccc2c1OCO2)c1ccc(Cl)c(Cl)c1 58111550 ILAQUABJRAKAGY-UHFFFAOYSA-N 338.234 4.747 0 40 EJAB Fc1ccc([C@@H]2CCC[C@@H]2NCc2ncc(-c3cccs3)o2)cc1 95941413 WDOMUAALMGFFED-HOTGVXAUSA-N 342.439 4.968 0 40 EJAB O=C(CCc1ccc(Cl)c(Cl)c1)Nc1c(F)cccc1F 132966421 SDASPDBRUSLPNR-UHFFFAOYSA-N 330.161 4.843 0 40 EJAB O=Cc1ccc2oc(-c3cc(Br)ccc3Cl)nc2c1 216797017 FLOFJYYHSOBDRA-UHFFFAOYSA-N 336.572 4.723 0 40 EJAB CCc1ccccc1O[C@H](C)C(=O)N[C@@H](CC)c1ccc(C)c(C)c1 219295757 RDADDGPYIMYRLK-XLIONFOSSA-N 339.479 4.901 0 40 EJAB CCSc1ccccc1NC(=O)[C@@H](C)Oc1ccc(C)c(C)c1 219515864 DFZUHKCQEQESBZ-OAHLLOKOSA-N 329.465 4.821 0 40 EJAB CCc1ccc(NC(=O)c2cnc(-c3ccc(Cl)cc3)nc2)cc1 222602605 IBEZPKMFRFJUKI-UHFFFAOYSA-N 337.810 4.612 0 40 EJAB CC[C@@H](NC(=O)Nc1cccc(Cl)c1)c1ccc(OC)c(OC)c1 222632292 VTUUCWIABPCRNO-OAHLLOKOSA-N 348.830 4.630 0 40 EJAB COc1ccccc1[C@@H](C)NC(=O)CCc1ccc(C(C)C)cc1 224772036 HJPKVLJZWKROFK-MRXNPFEDSA-N 325.452 4.629 0 40 EJAB Cc1ccc(Cl)cc1C[C@@H](Oc1ccc2ccccc2c1)C(=O)O 225078074 ZXIRWSHEFZCSEY-LJQANCHMSA-N 340.806 4.876 0 40 EJAB CCc1ccc([C@H](C)NC(=O)CSCc2ccccc2C)cc1 225382730 FNVVZBIINZJCMJ-INIZCTEOSA-N 327.493 4.668 0 40 EJAB Fc1ccc(C2(CNC(=S)Nc3ccccc3F)CCCC2)cc1 225810135 QLZBKLAEILOUMQ-UHFFFAOYSA-N 346.446 4.763 0 40 EJAB Cc1ccsc1CCC(=O)N1CCc2cc(-c3ccncc3)ccc21 238942690 WDDNLXVHFSPOCR-UHFFFAOYSA-N 348.471 4.640 0 40 EJAB CC[C@@H](C)c1ccc([C@@H](NC(=O)c2cnc[nH]2)c2cccs2)cc1 511104847 IUBKTVCNHKSNDV-FZKQIMNGSA-N 339.464 4.504 0 40 EJAB c1ccc(OCCn2c(COc3ccccc3)nc3ccccc32)cc1 99182 PXPUUPDZKHCVCS-UHFFFAOYSA-N 344.414 4.694 0 40 EJAB CCc1cc2ccccc2nc1SCC(=O)c1ccc(F)cc1 413256 UUMVINAAKHQQQD-UHFFFAOYSA-N 325.408 4.911 0 40 EJAB CC(=O)Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2518644 QZEBYHONTLWPTP-UHFFFAOYSA-N 346.426 4.976 0 40 EJAB in-vitro CC1(C)CC(=O)c2sc(Nc3nc4c(F)cccc4s3)nc2C1 4137664 MSUSBAQXAHMEON-UHFFFAOYSA-N 347.440 4.791 0 40 EJAB Cc1nc2cc(NC(=O)CCSc3ccc(F)cc3)ccc2s1 4496821 SEIJIMRTMPYYKX-UHFFFAOYSA-N 346.452 4.865 0 40 EJAB CCCSc1ccccc1C(=O)N[C@@H](C)CCc1ccccc1 4731911 NSEJJOUDSFPCSB-INIZCTEOSA-N 327.493 4.940 0 40 EJAB Cc1cccc(NC(=O)Cc2csc3nc(-c4ccccc4)cn23)c1 5146691 YDHDINLSOJSGDN-UHFFFAOYSA-N 347.443 4.552 0 40 EJAB CC[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccccc2OC)N3)C1 6358811 BKKJRRONZHPQLX-GTNSWQLSSA-N 342.464 4.701 0 40 EJAB Cc1ccn2c(NC(=O)c3ccccc3)c(-c3ccc(F)cc3)nc2c1 6970791 LIEYHXSERVSPFR-UHFFFAOYSA-N 345.377 4.701 0 40 EJAB CCOc1ccccc1NC(=O)c1sc(-c2ccsc2)nc1C 7404847 QRIAECUNFINWOQ-UHFFFAOYSA-N 344.461 4.831 0 40 EJAB c1ccc(-c2noc(CNC(c3ccccc3)c3ccccc3)n2)cc1 7448362 ATZGGBGNRYMKLH-UHFFFAOYSA-N 341.414 4.616 0 40 EJAB O=C1OC(/C=C/c2ccccc2)=N/C1=C\c1c(O)ccc2ccccc12 8642194 OPPMZBLNYSANML-ANMLQGLPSA-N 341.366 4.555 0 40 EJAB CN(Cc1ccccc1N1CCCCC1)C(=O)c1ccc(Cl)cc1 12542505 YSQWXVPSKPILFK-UHFFFAOYSA-N 342.870 4.603 0 40 EJAB CCOC(=O)c1sc2cccc(F)c2c1CSc1ccccn1 12599947 IHWZLTMBLACGKX-UHFFFAOYSA-N 347.436 4.904 0 40 EJAB Cc1cc(-c2csc(NC3CC3)n2)c(C)n1Cc1ccc(F)cc1 14183710 LRFBFKPBMLDJNM-UHFFFAOYSA-N 341.455 4.990 0 40 EJAB COc1ccc(C(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)cc1 14577233 DKOJCTVARLVGRZ-OAQYLSRUSA-N 331.415 4.523 0 40 EJAB CSc1ccc(CN(C)C(=O)c2cc(C)nc3ccccc23)cc1 17972279 IAPSVHSYXHQXRD-UHFFFAOYSA-N 336.460 4.537 0 40 EJAB COc1ccc(CSCC(=O)Nc2cccc(Cl)c2C)cc1 20237828 FUXRLBSAPLZPCJ-UHFFFAOYSA-N 335.856 4.529 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)c2ccc(N3CCCCC3)cc2)c(C)c1 20459205 DKPBZWZUGAHMBN-GOSISDBHSA-N 336.479 4.785 0 40 EJAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1cccc(C(F)(F)F)c1 20459378 FTJNVCMJLWPMSK-MRXNPFEDSA-N 337.341 4.810 0 40 EJAB Cc1cccc(O[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)c1C 20491977 GJDSQDOQLLULEP-ZDUSSCGKSA-N 337.341 4.728 0 40 EJAB COc1cc(CN[C@@H]2CCCc3ccccc32)cc(Cl)c1OC 25259757 UISAOLGCWGGSGX-QGZVFWFLSA-N 331.843 4.524 0 40 EJAB C[C@H](c1ccc(F)cc1)N(C)C(=O)c1csc(-c2ccsc2)n1 26875176 ZVEMFYUFDBBRKW-LLVKDONJSA-N 346.452 4.844 0 40 EJAB Cc1ccc(-c2noc(CN(C)[C@H](C)c3cc4ccccc4o3)n2)cc1 30005596 ZKUFMGCWHBIBRU-OAHLLOKOSA-N 347.418 4.984 0 40 EJAB Cc1cc(C)n(-c2ccccc2NC(=O)c2cc(Cl)ccc2F)n1 31543755 XUWKTVWPAQSUFK-UHFFFAOYSA-N 343.789 4.534 0 40 EJAB O=C1S/C(=C\c2ccc(F)cc2)C(=O)N1c1ccc(Cl)cc1 39860683 NEZOZXYIUKLJOD-ZROIWOOFSA-N 333.771 4.720 0 40 EJAB Fc1ccc(F)c(NC(=S)Nc2cccc(OC(F)(F)F)c2)c1 71760859 YHZGFDNZYRQFEO-UHFFFAOYSA-N 348.296 4.672 0 40 EJAB CCOC(=O)c1cc2c(OCc3cccc(Cl)c3)cccc2[nH]1 72332478 ICJWTMOVMXQEAW-UHFFFAOYSA-N 329.783 4.577 0 40 EJAB Cc1ccc(OCC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1 222759738 QVEBHWKNTFCXKD-INIZCTEOSA-N 325.452 4.549 0 40 EJAB CC(C)c1ccc(OCC(=O)NCc2ccc3ccccc3c2)cc1 222787473 NRZGKVUBVBXJAM-UHFFFAOYSA-N 333.431 4.658 0 40 EJAB COc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1COC(C)C 224424038 WXMJATBTPRIYEJ-UHFFFAOYSA-N 341.451 4.996 0 40 EJAB C[C@H](NCc1ccc2occc2c1)c1cnn(Cc2ccccc2)c1 512057769 LLOIQUQQNLRSPQ-INIZCTEOSA-N 331.419 4.528 0 40 EJAB O=C(NCc1cc(-c2ccco2)cs1)c1c(F)cccc1Cl 1775968958 ZURPIPAZUWMJQX-UHFFFAOYSA-N 335.787 4.731 0 40 EJAB O=C1N(c2cccc3ccccc23)[C@H](c2ccc(F)cc2)N2CCCN12 550510 STOSUHLPHVQXGC-HXUWFJFHSA-N 347.393 4.540 0 40 EJAB CC(=O)c1cccc(NC(=O)/C(=C/c2ccco2)c2ccccc2)c1 581624 BQXSCQCJBBHODK-XSFVSMFZSA-N 331.371 4.662 0 40 EJAB O=c1oc2ccccc2c(-c2ccc(O)cc2)c1-c1ccc(O)cc1 2573901 AAWIIFRBYZBHQO-UHFFFAOYSA-N 330.339 4.538 0 40 EJAB Cc1cc(C)c2nc(NC(=O)COc3ccc(Cl)cc3)sc2c1 3293919 BQKSFAPGVRVFAB-UHFFFAOYSA-N 346.839 4.584 0 40 EJAB CCN(CC)c1cccc(Oc2ncnc3sc(C)c(C)c23)c1 3310259 KVPBGNLPNKPMPK-UHFFFAOYSA-N 327.453 4.947 0 40 EJAB O=C(NCc1ccc(Cl)c(Cl)c1)C12CC3CC(CC(C3)C1)C2 6329332 HGLQKQWEPHASAO-UHFFFAOYSA-N 338.278 4.826 0 40 EJAB COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccccc1 9141144 GESJDCDLSGWQLG-UHFFFAOYSA-N 344.370 4.756 0 40 EJAB O=C(c1cccs1)N(Cc1ccc(Cl)cc1)c1ccccn1 11914723 DNQSMCMMCYFKEL-UHFFFAOYSA-N 328.824 4.644 0 40 EJAB O=C(CCc1ncc(-c2ccccc2F)o1)Nc1ccccc1Cl 12619288 WCGSHPZXOCRESS-UHFFFAOYSA-N 344.773 4.705 0 40 EJAB CCc1ccc(NC(=O)c2cc(-c3ccco3)nc3onc(C)c23)cc1 12746743 KXIYNILHIQGIMG-UHFFFAOYSA-N 347.374 4.606 0 40 EJAB Cc1ccc2c(c1)S[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C2 12978981 QWQVQGFSRRWDHU-HNNXBMFYSA-N 338.259 4.957 0 40 EJAB O=C(O)c1ccc(Cl)c(NC(=O)c2cc(Cl)ccc2Cl)c1 13167633 KAEMNGGSLQMOPW-UHFFFAOYSA-N 344.581 4.597 0 40 EJAB Clc1ccc(-c2noc(-c3cccnc3Cl)n2)c(Cl)c1 22120332 AVQLLTAXMRVGCZ-UHFFFAOYSA-N 326.570 4.759 0 40 EJAB Cc1[nH]c2ccc(C(=O)N(Cc3ccco3)Cc3ccco3)cc2c1C 30471697 PWTMWEBZNCFFED-UHFFFAOYSA-N 348.402 4.813 0 40 EJAB COc1ccc([C@H](CC(C)C)NC(=O)CCc2ccc(C)cc2)cc1 30754356 SLWPYUZTORDCNF-NRFANRHFSA-N 339.479 4.840 0 40 EJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N(C)C1CCCCC1 30857971 RPSVAWBXLHAKLH-LJQANCHMSA-N 325.452 4.788 0 40 EJAB Cc1cc(C)n(-c2ccc(CSc3nc4ccccc4n3C)cc2)n1 31838165 XXOXSEWNUFJLFW-UHFFFAOYSA-N 348.475 4.668 0 40 EJAB C[C@@H](c1cc2ccccc2o1)N(C)Cc1ccc(-n2cccn2)cc1 32754492 HSZGUGRXXCFFGY-INIZCTEOSA-N 331.419 4.812 0 40 EJAB COC(=O)c1cc(OCc2ccccc2Cl)c2cc(C)ccc2n1 38486569 HMBWTLXKAKCQKX-UHFFFAOYSA-N 341.794 4.562 0 40 EJAB COc1ccc2occ(CC(=O)Nc3cccc(C(F)(F)F)c3)c2c1 39882414 DVUBFVMTCCGNIX-UHFFFAOYSA-N 349.308 4.641 0 40 EJAB Cc1ccc([C@H](NC(=O)CSc2ccc(F)c(F)c2)C2CC2)cc1 40024476 LTCCVQXPXOQPID-IBGZPJMESA-N 347.430 4.633 0 40 EJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N(C)Cc1ccccc1 44901192 UURVKIMZHVJWOC-HXUWFJFHSA-N 333.431 4.656 0 40 EJAB O=C(Nc1cccc(C(F)(F)F)c1)[C@@H](c1ccccc1)n1cccc1 49030944 XXRUTJQAWASLFJ-QGZVFWFLSA-N 344.336 4.735 0 40 EJAB COc1ccc2nc(/C=C/c3cnc(-c4ccccc4)nc3)sc2c1 58406984 BVTGDDHUTZJZJU-JXMROGBWSA-N 345.427 4.932 0 40 EJAB CC(C)(C)OC(=O)N1CCCC[C@H]1c1ccc(NC2CCCC2)nc1 72213987 FOFCWDISKRNMFP-KRWDZBQOSA-N 345.487 4.898 0 40 EJAB Cc1cnc([C@H](Nc2ncnc3c2oc2ccccc23)C2CC2)s1 72301684 WNRXXAKKMYVRKA-CQSZACIVSA-N 336.420 4.704 0 40 EJAB Cc1cccc([C@H]2CCCCN2c2nccc(C(F)(F)F)n2)c1C 72307628 PJBRVPQWDVCEQK-OAHLLOKOSA-N 335.373 4.844 0 40 EJAB Cc1cc(-n2cnnc2)cc2nc(-c3ccc(C(C)(C)C)cc3)oc12 73639393 VMFJUYWNCVSIDO-UHFFFAOYSA-N 332.407 4.681 0 40 EJAB Cc1ccc([C@H](C)NC(=O)[C@@H](C)Sc2nc3ccccc3s2)o1 95447714 YQYHITCCIHLCCY-NWDGAFQWSA-N 346.477 4.556 0 40 EJAB CC[C@@H](NC(=O)[C@@H](C)Oc1cc(C)ccc1C)c1ccc(C)cc1C 219074022 DLYXYSOGYBIFLK-UYAOXDASSA-N 339.479 4.955 0 40 EJAB COc1cc(C)c(C(=O)N[C@H](C)c2ccccc2OC)cc1C(C)C 225671276 MIENCDFOQZAKET-OAHLLOKOSA-N 341.451 4.627 0 40 EJAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(OC)c2ccccc12 225803243 SXYIIJPONUQLDD-FQEVSTJZSA-N 329.440 4.772 0 40 EJAB Cc1ccc(Cc2nnc(SCc3ccc(Cl)cc3)[nH]2)cc1 226299466 NLNMTIGBPGOXNH-UHFFFAOYSA-N 329.856 4.650 0 40 EJAB Cc1cnc([C@@H]2CCCN(Cc3[nH]c4c(C)cccc4c3C)C2)s1 2037850061 MOFRAHFVTOSGJC-MRXNPFEDSA-N 339.508 4.929 0 40 EJAB Cc1ccc2c(C)c(-c3ccc(Br)cc3)c(=O)oc2c1 57977 XWYMRNAAAGAGPX-UHFFFAOYSA-N 329.193 4.839 0 40 EJAB biogenic Nc1ccccc1S[C@@H](CC(=O)c1cccs1)c1cccnc1 126064 QALYPPXKBFONLL-SFHVURJKSA-N 340.473 4.832 0 40 EJAB CCSc1nc2ccc(NC(=O)c3ccccc3C)cc2s1 523958 WRYRBHUEHCEAEX-UHFFFAOYSA-N 328.462 4.969 0 40 EJAB O=C1N(c2ccc(Cl)cc2)[C@H](c2ccccc2Cl)N2CCCN12 552908 ZMZLTFAZDDSYJW-MRXNPFEDSA-N 348.233 4.555 0 40 EJAB Clc1ccc(Cn2c(NCc3ccncc3)nc3ccccc32)cc1 803242 QWLSILQFYQIXME-UHFFFAOYSA-N 348.837 4.745 0 40 EJAB CC(=O)Nc1cc(Cl)cc2c1-c1ccc(Cl)cc1[C@H]2N(C)C 1662431 AWZOSLOOJDUKIT-QGZVFWFLSA-N 335.234 4.583 0 40 EJAB CCCCCCc1c(C)c2ccc(O[C@@H](C)C(C)=O)c(C)c2oc1=O 2119170 ZFDUTRJBZBAOEO-INIZCTEOSA-N 344.451 4.889 0 40 EJAB biogenic c1ccc(-c2n/c(=N\C3CCCCC3)sn2-c2ccccc2)cc1 2678763 VXLXXFRDIHCYQV-QZQOTICOSA-N 335.476 4.834 0 40 EJAB S=c1sc(SCCOc2ccccc2)nn1-c1ccccc1 3406963 CXYGPHVOWZEUHA-UHFFFAOYSA-N 346.502 4.834 0 40 EJAB C[C@H](NC(=O)Cc1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2 4699748 QMUSXEVVGOSOSK-UGFPPAMCSA-N 331.887 4.604 0 40 EJAB Cc1ccc(NC(=O)c2cccc3ccccc23)cc1N1CCCC1=O 5440741 QEOFCLCRPXXWPM-UHFFFAOYSA-N 344.414 4.527 0 40 EJAB CC(=O)c1ccc(NC(=O)c2ccc(COc3ccc(C)cc3)o2)cc1 5488295 LUYHFFLVOMDRTJ-UHFFFAOYSA-N 349.386 4.622 0 40 EJAB CC[C@H](C)[C@@H](N)c1nnc(SCc2ccc(Cl)cc2Cl)o1 6224725 CMUDICHQEPXIDK-QPUJVOFHSA-N 346.283 4.715 0 40 EJAB Cc1noc(C(C)C)c1C(=O)Nc1ccccc1Cc1ccccc1 7278365 IWTBBXIJWQSVPP-UHFFFAOYSA-N 334.419 4.950 0 40 EJAB COc1cc(C(C)=O)ccc1OCc1cc2ccccc2nc1Cl 7438505 ZRTMXAYRUPYHPP-UHFFFAOYSA-N 341.794 4.678 0 40 EJAB O=C(c1ccsc1)N1CCc2sccc2[C@H]1c1cccs1 7948174 GHHGSEFHIDUQRG-HNNXBMFYSA-N 331.487 4.659 0 40 EJAB C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(F)c(F)c1 8220322 IOYULZYYFAMPFT-VIFPVBQESA-N 327.783 4.738 0 40 EJAB O=C(NCCC1=CCCCC1)c1ccc(OCCc2ccccc2)cc1 8564245 UZODFPWQDSWIRO-UHFFFAOYSA-N 349.474 4.928 0 40 EJAB O=C1c2ccccc2N[C@@H](c2ccccc2)N1c1ccc(F)c(F)c1 9422520 ANUGODRVDVQQMS-LJQANCHMSA-N 336.341 4.736 0 40 EJAB C[C@@H]1CC2=C(C[C@@H]1[C@@H]1OC[C@@H](CN3CCCCC3)O1)C(C)(C)CCC2 12556109 GWNYATQURCVOGA-RDPOXOKHSA-N 347.543 4.767 0 40 EJAB biogenic c1ccc2c(Oc3ccc4c(c3)CCC4)nc(-c3ccncc3)nc2c1 12901056 VMGSTBVWTGEYSF-UHFFFAOYSA-N 339.398 4.973 0 40 EJAB O=C(Cc1csc(-c2cccc(F)c2)n1)Oc1ccccc1Cl 13022189 YDUGETFWAKOSRG-UHFFFAOYSA-N 347.798 4.751 0 40 EJAB O=c1[nH]c2c(-c3ccccc3Cl)sc(=S)n2c2ccccc12 15828623 BTCQMKAHJKYLGR-UHFFFAOYSA-N 344.848 4.892 0 40 EJAB Cc1ccc2c(c1)C(C)(C)[C@]1(/C=C/c3ccccc3)N=C(O)CCN21 16030061 MHKNHLTWQVRVIA-UFSNDUKISA-N 332.447 4.863 0 40 EJAB Cc1ccc2cccc(NC(=O)c3cccc(Br)c3)c2n1 16348877 QDOPRMNUYOHIGG-UHFFFAOYSA-N 341.208 4.558 0 40 EJAB Nc1ccc(SCC(=O)N(c2ccccc2)c2ccccc2)cc1 17070504 FMBIRNKFQOMRCA-UHFFFAOYSA-N 334.444 4.726 0 40 EJAB Cc1ccc(SCC(=O)N2CCSc3ccccc32)cc1C 19530475 TVHNHCDFMGQITK-UHFFFAOYSA-N 329.490 4.534 0 40 EJAB Clc1ccc(Oc2ncnc3ccccc23)c(Br)c1 24057697 LHLMCLIYBCTMRG-UHFFFAOYSA-N 335.588 4.838 0 40 EJAB C[C@H](NCc1nnc(-c2ccccc2Cl)o1)c1ccc(Cl)cc1 26861030 UPNRIPFRYLWVIR-NSHDSACASA-N 348.233 4.894 0 40 EJAB O=C(Nc1ccc(Oc2ccc3c(c2)OCO3)cc1)Oc1ccccc1 41107702 OGCXRMWKDMOXJI-UHFFFAOYSA-N 349.342 4.819 0 40 EJAB Cc1cc(C)c(CNC(=O)Nc2ccc3oc(C4CC4)nc3c2)c(C)c1 58421389 GGCDFAMHWUDYRE-UHFFFAOYSA-N 349.434 4.952 0 40 EJAB CCN(Cc1cc(-c2ccccc2)no1)Cc1c(F)cccc1F 59409865 MLUDJVWVPNHCNA-UHFFFAOYSA-N 328.362 4.642 0 40 EJAB CC(C)N(C(=O)c1ccccn1)c1ccc(Nc2ccccc2)cc1 60542922 HZMJFIDQIUJTNZ-UHFFFAOYSA-N 331.419 4.880 0 40 EJAB C[C@@H]1CCCN(C(=O)c2csc(-c3ccc(Cl)cc3)n2)CC1 65513621 GUKBPRHGEVBSJY-GFCCVEGCSA-N 334.872 4.726 0 40 EJAB COc1cccc([C@@H](C)N2CCC(c3nc4ccccc4[nH]3)CC2)c1 72309165 OEJHUAJNDSIKGH-OAHLLOKOSA-N 335.451 4.512 0 40 EJAB Cc1cc(C)c(C(=O)[C@@H](C)Sc2nnc(C3CC3)s2)cc1C 74796672 LMYYHZPMWUCNEK-GFCCVEGCSA-N 332.494 4.704 0 40 EJAB Cc1ccc(-c2nc(CNc3cccc(C(F)(F)F)n3)co2)cc1 80700016 KWMWJPOKOPLNOK-UHFFFAOYSA-N 333.313 4.676 0 40 EJAB Cc1nc(-c2ccc(OCc3cccc(F)c3)c(C(=O)O)c2)cs1 85397503 NQUZYIVCCBMPEF-UHFFFAOYSA-N 343.379 4.535 0 40 EJAB O=C(c1cccc2ccccc12)N1CCC(OCc2ccccc2)CC1 95469744 ZDJMMEMSETUTSZ-UHFFFAOYSA-N 345.442 4.661 0 40 EJAB O=C(Nc1cc(Cl)ccc1OCC(F)(F)F)[C@@H]1C[C@H]2CC[C@H]1C2 105562904 DXQYNXCWJVNPJA-JBLDHEPKSA-N 347.764 4.656 0 40 EJAB CNCCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 148980103 ZPJUJGQNRPSMEK-UHFFFAOYSA-N 347.458 4.607 0 40 EJAB Cc1ccccc1NC(=O)N1CCS[C@H](c2ccccc2)CC1 211145047 XLMMWGROFMLHNC-SFHVURJKSA-N 326.465 4.707 0 40 EJAB CC[C@@H](NC(=O)[C@H](C)Oc1ccc(C)cc1)c1ccc(C)c(C)c1 218973775 GCDZQOFCVFIFMX-FXAWDEMLSA-N 325.452 4.647 0 40 EJAB C[C@H](Sc1ccccc1)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 222905438 GDXHYLLRFSWFGD-CVEARBPZSA-N 339.504 4.923 0 40 EJAB Cc1ccc(CC(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)c(C)c1 223857230 BKSCMVLAMPHWLW-LJQANCHMSA-N 337.463 4.573 0 40 EJAB CCc1ccc(CC)c(CNC(=O)c2ccc(OC(C)C)cc2)c1 224139456 LSIMPDPWBDGSKW-UHFFFAOYSA-N 325.452 4.529 0 40 EJAB CCOc1ccc(C(=O)NC(C)C)cc1CSc1ccc(C)cc1 224659029 HLJWXZZNGJYYDZ-UHFFFAOYSA-N 343.492 4.824 0 40 EJAB CC(C)c1ccc(CCCNC(=S)Nc2ccccc2F)cc1 225806458 CFJINXAIPKWRBQ-UHFFFAOYSA-N 330.472 4.868 0 40 EJAB CCO[C@]1(C(=O)Nc2ccc(OC)c3ccccc23)CCC[C@H](C)C1 225833600 OLKUDVASGNLXNU-YCRPNKLZSA-N 341.451 4.772 0 40 EJAB CCCO[C@@](C)(CC)C(=O)Nc1ccc(OCC)c2ccccc12 225839845 NADILUSZIWVMMJ-FQEVSTJZSA-N 329.440 4.772 0 40 EJAB Cc1ccc2oc(=O)c(C(=O)Nc3cc(Cl)ccc3Cl)cc2c1 226036608 PLMVWHRDPUZFFW-UHFFFAOYSA-N 348.185 4.661 0 40 EJAB CC(C)Cn1nc(-c2ccc(C(=O)O)cc2)cc1-c1ccc(F)cc1 257237920 HIUJXEARJUXAPZ-UHFFFAOYSA-N 338.382 4.710 0 40 EJAB CCCOc1ccc(Br)cc1C(=O)Nc1ccccc1C 408585190 CNOLWGHEPFOWAK-UHFFFAOYSA-N 348.240 4.799 0 40 EJAB Cc1cc(Cl)ccc1N[C]1NC(=O)/C(=C/c2sccc2C)S1 408805693 BWSKUEFTXDAIKN-UHFFFAOYSA-N 349.888 4.781 0 40 EJAB COCCc1ccc(Oc2nc(C)nc3sc(C)c(C)c23)cc1 641935446 PXMQPNISMDQSOQ-UHFFFAOYSA-N 328.437 4.598 0 40 EJAB Cc1ccc(CSc2nnc(COc3ccc(C)cc3)o2)cc1 87609 OWEVBZODWLXDBI-UHFFFAOYSA-N 326.421 4.558 0 40 EJAB Cc1ccc(-c2nnc(N(C(=O)C3CCC3)C3CCCC3)s2)cc1 1345459 ZBFNZNJLGWGEJN-UHFFFAOYSA-N 341.480 4.589 0 40 EJAB Cc1cccc(OCCOC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c1 2630012 RBNTYGCRCFJUQI-UHFFFAOYSA-N 349.430 4.591 0 40 EJAB CCc1ccc(/C=C2\N=C(c3ccc(C(F)(F)F)cc3)OC2=O)cc1 3429382 NSJUEWISLALENA-WJDWOHSUSA-N 345.320 4.612 0 40 EJAB CSC1=NC(/C=C/c2ccc(C(F)(F)F)cc2)=CC(C)(C)N1 4039801 WJCVZEYPHBJNER-RMKNXTFCSA-N 326.387 4.703 0 40 EJAB O=C(NCCSCc1ccccc1Cl)c1ccc(Cl)cc1 4390632 XGYQMMGAKFUXFT-UHFFFAOYSA-N 340.275 4.657 0 40 EJAB Cc1cc(Br)ccc1NC(=O)Nc1c[nH]c2ccccc12 5299983 KSPYIOWRKVUJDT-UHFFFAOYSA-N 344.212 4.883 0 40 EJAB O=C(Cc1csc(-c2ccccc2)n1)Nc1ccc(F)c(Cl)c1 6378242 BXJLHUKPQDCPOG-UHFFFAOYSA-N 346.814 4.784 0 40 EJAB O=c1c2ccc(Cl)cc2nc2n1CC/C2=C\c1cccc(Cl)c1 6510668 CJVBXPNZDBYPTJ-XYOKQWHBSA-N 343.213 4.648 0 40 EJAB O=C(c1ccccc1)N1CCc2sccc2[C@H]1c1cccs1 7947052 KCMKURXPLXDGKE-KRWDZBQOSA-N 325.458 4.598 0 40 EJAB Cc1csc(-c2ccc(Oc3ncnc4sccc34)cc2)n1 8327087 IDJHUIOIHSRKDS-UHFFFAOYSA-N 325.418 4.916 0 40 EJAB CC[C@@H](NC(=O)Cc1c(C)nc2ccccc2c1C)c1ccc(C)cc1 8727021 ZLROJZGDLGPNKE-OAQYLSRUSA-N 346.474 4.970 0 40 EJAB Cc1ccc(N(C(=O)Nc2cccc(Cl)c2)C2=NCCC2)cc1 10165987 ADOMSUMJIDJNHN-UHFFFAOYSA-N 327.815 4.879 0 40 EJAB Cc1cc(F)ccc1NC(=O)c1sc(NC(=O)C(C)(C)C)cc1C 12763937 PIHBKBHPZUGTAB-UHFFFAOYSA-N 348.443 4.741 0 40 EJAB Cc1nc(-c2cccs2)c(CC(=O)Nc2ccc(C)c(C)c2)s1 15840142 HAHVRCWCNPCIKX-UHFFFAOYSA-N 342.489 4.978 0 40 EJAB COc1cccc(C(=O)/C=C/Nc2ccc(Br)c(C)c2)c1 17087102 FGJRSKURKNMKJA-CMDGGOBGSA-N 346.224 4.575 0 40 EJAB CCOc1ccc(C(=O)Nc2cc(-c3ccc(Cl)cc3)no2)cc1 27662963 YRRWNKJKZVFJMU-UHFFFAOYSA-N 342.782 4.646 0 40 EJAB Cc1ccc(-c2nc(C)c(C(=O)N[C@H](C)c3cccs3)s2)o1 31203301 HUXYMBHANLSBKS-SNVBAGLBSA-N 332.450 4.572 0 40 EJAB C[C@H](NC(=O)[C@H]1CC1(Cl)Cl)c1ccc(-c2ccccc2)cc1 32978378 DFUGJOZIEKEUPY-BLLLJJGKSA-N 334.246 4.725 0 40 EJAB Cc1ccc(/C=C/C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)o1 33000736 FFQQRPXNEXJAAG-OUKQBFOZSA-N 343.386 4.783 0 40 EJAB CCc1cccc(NC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)c1 40478250 CKHYJJLZHKDICB-UHFFFAOYSA-N 325.799 4.545 0 40 EJAB CN(Cc1cccc2ccccc12)C(=O)Cc1cccc2cccnc12 45388470 QLJAOFORAQTTDZ-UHFFFAOYSA-N 340.426 4.589 0 40 EJAB COc1cc([C@@H](C)NC(=O)[C@H]2CC=CCC2)ccc1OC1CCCC1 48340047 VENLRASEXVWVPZ-CVEARBPZSA-N 343.467 4.550 0 40 EJAB O=C(NCc1ccc(C(F)(F)F)cc1)c1cc2c(s1)CCCC2 57416281 MYYYHIRZIFUMSI-UHFFFAOYSA-N 339.382 4.576 0 40 EJAB CC(C)C(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)c(C(C)C)o1 71916614 AHYDMMRYOHOSKL-MRXNPFEDSA-N 326.440 4.785 0 40 EJAB Cc1ccc(-c2csc3ncnc(NCc4ccncc4)c23)cc1 80345525 MJNZVUWTNBCDHA-UHFFFAOYSA-N 332.432 4.674 0 40 EJAB CC(C)c1ccc([C@@H]2CCCCN2c2cc(-n3ccnc3)ncn2)cc1 89893393 VSSUDDKRJJNTHV-IBGZPJMESA-N 347.466 4.517 0 40 EJAB COc1cc(Br)c2[nH]c(-c3ccc(Cl)cc3)nc2c1 216915566 FNWAMICBYHWAIE-UHFFFAOYSA-N 337.604 4.654 0 40 EJAB S=C(NCc1ccc(Cl)cc1)Nc1ncc(Cl)cc1Cl 223928090 DETADHJIHXYRKN-UHFFFAOYSA-N 346.670 4.528 0 40 EJAB COc1ccc(NC(=O)C(C)(C)c2ccccc2)cc1C(F)(F)F 225957133 PWFVRMZIUQKGAZ-UHFFFAOYSA-N 337.341 4.630 0 40 EJAB O=C(Nc1ccc2ccccc2c1)c1cnc(-c2ccccc2)nc1 408532771 OUYILIXMUNQHJB-UHFFFAOYSA-N 325.371 4.549 0 40 EJAB CCCCOc1ccc(C(=S)NCc2ccc(Cl)cc2)cc1 408578369 XUPCWOWRHOWUGM-UHFFFAOYSA-N 333.884 4.984 0 40 EJAB O=C(c1ccc2nccnc2c1)N(C1CCCCC1)C1CCCCC1 408722668 VRLIUOSASSYUGA-UHFFFAOYSA-N 337.467 4.737 0 40 EJAB S=c1oc2ccccc2n1CNc1ccc(Br)cc1 63419 ULKOYGDBYOLXHY-UHFFFAOYSA-N 335.226 4.796 0 40 EJAB Cc1ccc(C)c(/C=C2\N=C(c3cc(F)c(F)cc3Cl)OC2=O)c1 478009 RSNNMOBOVZZNLF-SOFYXZRVSA-N 347.748 4.580 0 40 EJAB O=C(CCc1cccc(Cl)c1)Nc1ccc(Br)cc1 1285089 IOQDPKLDRVOEQQ-UHFFFAOYSA-N 338.632 4.674 0 40 EJAB COc1cc(Cl)c2c3c(c(C(=O)c4ccccc4)oc13)CCC2 1617826 LUSUOFLYFYBVPL-UHFFFAOYSA-N 326.779 4.815 0 40 EJAB CC(C)N(C(=O)CNc1cc(Cl)ccc1Cl)c1ccccc1 3292491 KNMVPUKLIKYJDD-UHFFFAOYSA-N 337.250 4.847 0 40 EJAB Cc1cc(C)c(-c2csc(NC(=O)Cc3ccsc3)n2)cc1C 3415283 MEEVYWMRESWOHU-UHFFFAOYSA-N 342.489 4.978 0 40 EJAB CCN(c1ccc(NC(=O)Cc2ccccc2Cl)cc1)C(C)C 5200287 UFEMFMMYVQXVCO-UHFFFAOYSA-N 330.859 4.756 0 40 EJAB CSc1ccc2nc(NC(=O)c3cccc(Cl)c3)sc2c1 5299085 YPSMBCFEFKTAAE-UHFFFAOYSA-N 334.853 4.924 0 40 EJAB C[C@H]1CCCCN1P(N1CCCC[C@@H]1C)N1CCCC[C@H]1C 5328697 NVXFGRFIRYCPGA-OKZBNKHCSA-N 325.481 4.837 0 40 EJAB CC[C@@H]1CCc2c(sc3[nH]c(=S)n(-c4ccccc4)c(=O)c23)C1 6187346 YLRVUIQUALNUEM-LLVKDONJSA-N 342.489 4.625 0 40 EJAB CN(C)c1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 6871448 LCFFPWNDXBXFJK-UHFFFAOYSA-N 348.837 4.807 0 40 EJAB COc1cc(/C=C/c2nc3cc(Cl)ccc3s2)cc(OC)c1O 7717298 VHBKSUSRQGQOEU-ZZXKWVIFSA-N 347.823 4.843 0 40 EJAB COc1ccccc1N1C(=O)c2ccccc2N[C@@H]1c1ccsc1 7884852 FEYXYDXCSVFGIR-SFHVURJKSA-N 336.416 4.528 0 40 EJAB Cc1ccc(C(=O)Nc2cccc3cccnc23)cc1-n1cccc1 10225620 MUFAGSOHAOXLEJ-UHFFFAOYSA-N 327.387 4.586 0 40 EJAB O=C(Nc1cccc(Cl)c1)Nc1nnc(CC2=CCCCC2)s1 13570912 GDJVLAJNNGSDLZ-UHFFFAOYSA-N 348.859 4.878 0 40 EJAB aggregator Cc1ccccc1C(=O)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1 20137435 CBGYSGWLRYFLEL-UHFFFAOYSA-N 341.794 4.653 0 40 EJAB CC[C@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)CCc1ccccc1 20482028 SKDXSQXRCGCPFN-YJBOKZPZSA-N 345.870 4.635 0 40 EJAB Cc1nc(Nc2ccccc2F)sc1C(=O)Nc1ccccc1 25057073 XUNJMMZSIMXRLL-UHFFFAOYSA-N 327.384 4.587 0 40 EJAB C[C@H](Sc1ccc(C(C)(C)C)cc1)C(=O)NCc1cccs1 25722541 ONEOBSRVVXCMSV-ZDUSSCGKSA-N 333.522 4.843 0 40 EJAB CC(C)Oc1ccccc1[C@H]1CC(O)=Nc2c1ncn2-c1ccccc1 31820089 LAVQJLNCYIEYKQ-QGZVFWFLSA-N 347.418 4.783 0 40 EJAB Cc1noc2ncc(C(=O)Nc3ccc(Nc4ccccc4)cc3)cc12 32908320 IZHQNNVBPIVNAA-UHFFFAOYSA-N 344.374 4.527 0 40 EJAB CCOc1ccc2oc(C(=O)N[C@@H]3CCCc4ccccc43)c(C)c2c1 32958334 LJACCWHVYAENKJ-LJQANCHMSA-N 349.430 4.947 0 40 EJAB C[C@@H]1CCC[C@H](N2C(=O)c3ccccc3[C@H]2NCc2ccccc2)[C@@H]1C 36144352 QUHYUADJNNQICY-YAKVFXAGSA-N 348.490 4.756 0 40 EJAB O=C(C[C@@H]1C=CCC1)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 40110777 KGTFBGPBRMULSW-CQSZACIVSA-N 344.430 4.639 0 40 EJAB Cc1cc(F)ccc1NC(=O)N1CCCCC[C@H]1c1ccncc1 45975253 GBCRSKGYZFOHFJ-SFHVURJKSA-N 327.403 4.678 0 40 EJAB Cc1sc2ncnc(N[C@@H](c3ccccc3)[C@@H]3CCCO3)c2c1C 58217473 YKHPUICBGUCOMG-RDJZCZTQSA-N 339.464 4.640 0 40 EJAB O=[S@](CCSc1nc(-c2ccccc2)cs1)c1ccccc1 60709925 OKPHPTZQMNAFOA-QFIPXVFZSA-N 345.514 4.710 0 40 EJAB COC[C@H](C)Nc1nc(C2CC2)nc2scc(-c3ccccc3)c12 65610129 PRKCVZDFFWIDJY-LBPRGKRZSA-N 339.464 4.683 0 40 EJAB O=C(Cc1ccccc1F)N1Cc2ccccc2[C@@H](c2ccccc2)C1 70038839 YTAXPJQMWXBIEL-OAQYLSRUSA-N 345.417 4.543 0 40 EJAB Fc1ccc(SCc2ccc(I)cc2)cc1 88186609 OCZSDZKZYKOVRI-UHFFFAOYSA-N 344.192 4.723 0 40 EJAB Cc1ccc(C(=O)O[C@@H](C)c2ccc3c4c(cccc24)CC3)cc1N 216850689 FRIZZVVPFDGVNE-AWEZNQCLSA-N 331.415 4.747 0 40 EJAB Cc1cccc(CSCC(=O)N[C@H](C)c2ccc(C)cc2C)c1 222743741 RMSAQEMWYKAITQ-QGZVFWFLSA-N 327.493 4.722 0 40 EJAB Cc1ccc(C(=O)NCCOc2ccc(C(C)(C)C)cc2)c(Cl)c1 225004721 YGLFWHRVWKCHIY-UHFFFAOYSA-N 345.870 4.755 0 40 EJAB Cc1cccc(C)c1C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)O 225030883 CHUJAZCBHDKWNN-LJQANCHMSA-N 326.436 4.676 0 40 EJAB Cc1ccccc1C1CCN(C(=O)Nc2cccc(C)c2F)CC1 541756748 WQYGOTUXXGFXLV-UHFFFAOYSA-N 326.415 4.854 0 40 EJAB O=C(NCc1cncc(-c2ccco2)c1)c1ccc(Cl)cc1Cl 575618228 KLKPGNNGNIQVEL-UHFFFAOYSA-N 347.201 4.578 0 40 EJAB C[C@@H]1CN=C(N(C(=O)Nc2ccc(Cl)cc2)c2ccccc2)S1 86881 MDBYKBAUPLVXQS-GFCCVEGCSA-N 345.855 4.870 0 40 EJAB Cc1ccccc1-n1c(-c2ccccc2)nc2nc3ccccc3nc21 521424 PWHIXFSDAOIDQA-UHFFFAOYSA-N 336.398 4.944 0 40 EJAB O=C(CCSc1ccc(Cl)cc1)NCc1ccc(Cl)cc1 1096211 CSSHYKXIDMLLKR-UHFFFAOYSA-N 340.275 4.792 0 40 EJAB CC(=O)c1ccc(-c2ccc(C(=O)N3CCCc4ccccc43)o2)cc1 3455704 FLBWCVRFQAHLMT-UHFFFAOYSA-N 345.398 4.742 0 40 EJAB O=C(Cc1cccc2ccccc12)Nc1nnc(-c2ccccc2)s1 4072269 UMDUWULPSDRCTK-UHFFFAOYSA-N 345.427 4.540 0 40 EJAB Cc1nc(C)c(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)s1 5183479 JYTVQICQUYVGCU-UHFFFAOYSA-N 334.750 4.684 0 40 EJAB CSc1cccc2sc(NC(=O)c3ccc(Cl)cc3)nc12 5299210 FYZSBJNGQGZFIK-UHFFFAOYSA-N 334.853 4.924 0 40 EJAB C[C@H](NC(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1 5559217 VBUROEUBYDBNPA-JTQLQIEISA-N 338.632 4.594 0 40 EJAB O=C(N[C@@H]1CCCC[C@@H]1Cc1ccco1)C12CC3CC(CC(C3)C1)C2 5945237 YZNHXAKNDQHQQV-XEMQEEEZSA-N 341.495 4.714 0 40 EJAB c1ccc(CN2CN(C3CCCCC3)Cn3c2nc2ccccc23)cc1 6590342 ZOOPRYIVJGNVRT-UHFFFAOYSA-N 346.478 4.606 0 40 EJAB Brc1ccc(-c2ccc(CNCc3ccco3)o2)cc1 7524952 QUDUZWGHBBIKRM-UHFFFAOYSA-N 332.197 4.592 0 40 EJAB Cc1cc(C)c2c(n1)sc1c(=O)oc(-c3ccccc3Cl)nc12 12619805 TUGMYTDSBLJQTN-UHFFFAOYSA-N 342.807 4.735 0 40 EJAB CC[C@H]1CCCCN1C(=S)Nc1ccc(SC(F)F)cc1 13865591 YQWOXKDXMBLRCK-LBPRGKRZSA-N 330.469 4.963 0 40 EJAB Cc1[nH]c2ccc(C(=O)N(Cc3ccc(F)cc3)C3CC3)cc2c1C 14083716 WXTSVIXNLVUVPD-UHFFFAOYSA-N 336.410 4.729 0 40 EJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(OC(C)C)cc1 20493097 MLALKKLVMLIHAY-IBGZPJMESA-N 341.451 4.887 0 40 EJAB CCCc1nc2ccc(NC(=O)c3cc(F)cc(F)c3)cc2s1 22254929 KEZSVGZFEGDWEJ-UHFFFAOYSA-N 332.375 4.779 0 40 EJAB O=C(Cc1ccccc1Cl)Nc1nc(-c2cccc(F)c2)cs1 25322088 PCHQMPZOMAMTQF-UHFFFAOYSA-N 346.814 4.784 0 40 EJAB CCOc1ccc(NC(=O)c2oc3ccccc3c2C)c2cccnc12 32622605 YINZEZFZUAKUQC-UHFFFAOYSA-N 346.386 4.940 0 40 EJAB C[C@@H](NC(=O)CCCOc1ccc(Cl)cc1)c1ccc(F)cc1 44903153 TYPOXKUXSXWIFW-CYBMUJFWSA-N 335.806 4.516 0 40 EJAB Cc1ccc(C)c([C@@H](C)NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)c1 59351508 VFKAWBBXAXPGPZ-CVEARBPZSA-N 345.870 4.910 0 40 EJAB COc1ccc(NC(=S)N[C@@H](CC(C)C)c2ccccc2)cc1 60544452 LFNWZOJDIZOZNY-SFHVURJKSA-N 328.481 4.769 0 40 EJAB CNc1nc2c(s1)[C@H](c1c(Cl)cccc1Cl)CC(O)=N2 61717584 SBTJFNYPCIJVAV-LURJTMIESA-N 328.224 4.615 0 40 EJAB C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2CCCC[C@@H]2c2nccs2)o1 72285983 DWVHNQYVENTWOU-VNQPRFMTSA-N 344.480 4.546 0 40 EJAB COc1ccc(Cl)c2c(Nc3ccc(C(=O)O)cc3)cc(C)nc12 78401743 SGPFITLKSOSILQ-UHFFFAOYSA-N 342.782 4.647 0 40 EJAB CCc1cc(CN(C)Cc2nc3ccccc3s2)c(C)cc1O 95996987 GHRKDWXEHIAYLA-UHFFFAOYSA-N 326.465 4.505 0 40 EJAB N=C1C(c2nc(-c3ccccc3)cs2)=C(O)CN1c1ccccc1 102730543 NIOOLOXLRVOERA-UHFFFAOYSA-N 333.416 4.577 0 40 EJAB C[C@H]1C[C@@H]1N(C(=O)c1cnc2onc(C(C)(C)C)c2c1)c1ccccc1 576805942 WJELGXYHWFGZQA-GUYCJALGSA-N 349.434 4.576 0 40 EJAB Cc1oc(C(=O)O)cc1CN1CCCCC[C@@H]1/C=C\c1cccs1 581554044 QCOVCFXPJWSWDR-HLRDLLSLSA-N 345.464 4.806 0 40 EJAB CC[C@H](C(=O)N1CC2(CCCCC2)C1)c1cccc(C(F)(F)F)c1 622495986 NWBKHYUHSQOCKD-INIZCTEOSA-N 339.401 4.992 0 40 EJAB O=C(Oc1cc(Cl)cc(Cl)c1)c1cc(Cl)cnc1Cl 166849 HLSMNAROJGRLSF-UHFFFAOYSA-N 336.989 4.914 0 40 EJAB CC(C)(C)Cc1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1 477719 PMFVWJYKHBOBCU-UHFFFAOYSA-N 344.267 4.686 0 40 EJAB CCCC(=O)Nc1sc(C)c(C)c1C(=O)Nc1cccc(C)c1 546330 LYIQEFTYYFEBDF-UHFFFAOYSA-N 330.453 4.664 0 40 EJAB O=C1CS[C@@H](c2c[nH]c3ccccc23)N1c1ccc(Cl)cc1 1090898 QYGYWTAXSUDPBS-KRWDZBQOSA-N 328.824 4.600 0 40 EJAB O=C(CCc1cc(F)c(F)c(F)c1)c1ccccc1C(F)(F)F 2517866 CICDJSIKHRDPEB-UHFFFAOYSA-N 332.243 4.938 0 40 EJAB CSc1cccc(NC(=O)Cc2c(Cl)cccc2Cl)c1 3548797 DLNXEBMMOVPHAG-UHFFFAOYSA-N 326.248 4.897 0 40 EJAB Cc1c(-c2ccccc2)c(=O)oc2ccc(OC(=O)C(C)(C)C)cc12 4340711 CSKXYRUWSBOOCU-UHFFFAOYSA-N 336.387 4.720 0 40 EJAB biogenic C[C@H]1CCC[C@@H](N[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)[C@@H]1C 4546178 SFZFJLNLICHCTF-DVRVPYBTSA-N 348.490 4.756 0 40 EJAB Oc1ccc(-n2c(-c3ccccc3)cn3c4ccccc4nc23)cc1 6315816 WQMWKVZRBZXYAU-UHFFFAOYSA-N 325.371 4.651 0 40 EJAB Cc1noc(C)c1COC(=O)c1c(Cl)ccc(Cl)c1Cl 6560647 XLAWVPJWEIFYGN-UHFFFAOYSA-N 334.586 4.609 0 40 EJAB Cc1sc2nc(Cc3ccccc3)[nH]c(=O)c2c1-c1ccccc1 8684306 YMLQICDAZHPNLO-UHFFFAOYSA-N 332.428 4.551 0 40 EJAB CC(C)CCN1C(=O)CCc2cc(NC(=O)C3CCCCC3)ccc21 9164712 RXYFNJOTIMMRCM-UHFFFAOYSA-N 342.483 4.531 0 40 EJAB C[C@H](NC(=O)Nc1nc2ccccc2s1)c1ccc(Cl)cc1 9958939 CREHGGJGBMUDAJ-JTQLQIEISA-N 331.828 4.832 0 40 EJAB O=C(NCC1(c2ccccc2)CCC1)c1cccc(Cl)c1Cl 10221322 FVTRTGVRMDABLY-UHFFFAOYSA-N 334.246 4.845 0 40 EJAB COc1ccc(C)cc1-c1csc(NC(=O)c2cc(C)oc2C)n1 10578394 NANBRIDWWYYRKO-UHFFFAOYSA-N 342.420 4.589 0 40 EJAB Cc1cc2cc(C(=O)N[C@@H](c3ccccc3)c3cccnc3)ccc2o1 12148269 HVVJVQYQRRSETC-NRFANRHFSA-N 342.398 4.656 0 40 EJAB Cc1ccc(NCc2cc3cc(C)c(Cl)cc3[nH]c2=O)c(C)c1 12493116 KPTMOUZXQRVBCC-UHFFFAOYSA-N 326.827 4.719 0 40 EJAB Cc1nc(-c2ccccc2)ccc1C(=O)N[C@H](C)c1ccc(F)cc1 12746329 KVNYREFHAHFNTQ-CQSZACIVSA-N 334.394 4.687 0 40 EJAB O=C(Nc1cccc(Cl)c1)N[C@H]1CCSc2c(F)cccc21 12913937 RWVGOLPJZZQETL-AWEZNQCLSA-N 336.819 4.838 0 40 EJAB COc1ccc(/C=C/C(=O)Nc2ccccc2SC(F)F)cc1 14603313 GMHIJAWDACGYQF-DHZHZOJOSA-N 335.375 4.662 0 40 EJAB COc1ccc(CNc2ncnc3scc(-c4ccccc4)c23)cc1 15208030 DTOIPMBKEVISHR-UHFFFAOYSA-N 347.443 4.979 0 40 EJAB COc1cc(C(=O)N(C)c2ccccc2)ccc1OCc1ccccc1 15349299 ZPILWTPQDFQEDI-UHFFFAOYSA-N 347.414 4.551 0 40 EJAB Cc1c(C(=O)Nc2nc3c(s2)CCC3)sc2cccc(F)c12 15636959 RBLMJLUABQBTHN-UHFFFAOYSA-N 332.425 4.546 0 40 EJAB Cc1ccc(C)c(O[C@H](C)C(=O)N[C@@H](CC(C)C)c2ccccc2)c1 20108264 PRGLFZBRJBSBMU-QUCCMNQESA-N 339.479 4.974 0 40 EJAB Clc1ccc(CN2COc3c(cc(Cl)c4cccnc34)C2)cc1 20366591 NNZCKBDKGWOHKF-UHFFFAOYSA-N 345.229 4.894 0 40 EJAB Cc1cccc(Nc2nn(-c3ccccc3)c3c2C(=O)CCC3)c1C 20671865 CZCZRDASPZJAJJ-UHFFFAOYSA-N 331.419 4.752 0 40 EJAB CC(C)c1ccc(OC(=O)C2=C(c3ccccc3)SCCO2)cc1 20734015 JDHICTGGTUEZIJ-UHFFFAOYSA-N 340.444 4.848 0 40 EJAB OC1=Nc2nc(N3CCCCC3)sc2[C@@H](c2cc(F)ccc2F)C1 36366081 OXRLQYUWOXBNJU-GFCCVEGCSA-N 349.406 4.535 0 40 EJAB O[C@@H](c1ccc(Br)cc1)c1cc(Cl)cc(Cl)c1 40243393 HZIVVWPLQOAMGL-ZDUSSCGKSA-N 332.024 4.838 0 40 EJAB CC[C@@H](C)c1ccc(OCCC2CCNCC2)c(Br)c1 42770355 JBAWDLHNCYDYOD-CYBMUJFWSA-N 340.305 4.731 0 40 EJAB CCCCN1CCC[C@H]1c1ccc(N(CC)C(=O)OC(C)(C)C)nc1 72214624 YXTRARIHYWFJCB-KRWDZBQOSA-N 347.503 4.780 0 40 EJAB c1ccc(CN2CCCC[C@@H]2c2ccc(N3CCCCC3)nc2)cc1 72216068 LMKHHBZXGSURIQ-OAQYLSRUSA-N 335.495 4.799 0 40 EJAB Cc1cccc(C2(CNC(=O)[C@@H]3C[C@H]3c3cccnc3)CCCCC2)c1 84210684 POUOZMVNVPUUIS-LEWJYISDSA-N 348.490 4.512 0 40 EJAB Fc1cccc(C[C@H]2CCCN2Cc2cc(-c3ccccc3)no2)c1 84560125 MEPJOFXHAJUMIB-LJQANCHMSA-N 336.410 4.688 0 40 EJAB O=C(c1ccc2c(c1)CCC2)N1CCCc2cc(C(F)(F)F)ccc21 95367800 CCLNZWCEZIDIIL-UHFFFAOYSA-N 345.364 4.787 0 40 EJAB Cc1ccc(SCC(F)(F)F)c(NCc2nnc(C3CC3)o2)c1 96461392 OCHKOEDNJWJYEP-UHFFFAOYSA-N 343.374 4.522 0 40 EJAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)N[C@@H](C)c1ccc(C)cc1 113970223 NYTUZZFPFQZACS-PKOBYXMFSA-N 325.452 4.647 0 40 EJAB CCc1ccc(C[C@H](Oc2ccc(-c3ccccc3)cc2)C(=O)O)cc1 225043154 MPKWHDKSQRQFRS-QFIPXVFZSA-N 346.426 4.991 0 40 EJAB Cc1ccccc1Oc1ccc(C(=O)c2ccc3c(c2)OCCO3)cc1 408626043 ZDQRPVNFSOUJRF-UHFFFAOYSA-N 346.382 4.790 0 40 EJAB COc1ccccc1C(=O)Nc1cc(Cl)ccc1C(F)(F)F 363813 IDUWQBPFYLBKRJ-UHFFFAOYSA-N 329.705 4.620 0 40 EJAB S=c1[nH]c(-c2ccc3c(c2)OCO3)cn1-c1ccc(Cl)cc1 424440 VJOJPESIGBQZNT-UHFFFAOYSA-N 330.796 4.584 0 40 EJAB CC(C)CC[C@@]1(CCNC(=O)c2cccs2)CCOC(C)(C)C1 2444633 XYFWWPIWCWSQJD-LJQANCHMSA-N 337.529 4.880 0 40 EJAB CC(C)(C)C(=O)Nc1nc(-c2cccc(Br)c2)cs1 3275791 NZTIEJRZFGVBDG-UHFFFAOYSA-N 339.258 4.557 0 40 EJAB Fc1ccc(CSc2nnc(C3CC3)n2Cc2ccccc2)cc1 4861165 ORQCUJWPXLEJJW-UHFFFAOYSA-N 339.439 4.635 0 40 EJAB O[C@@](CCN1CC[C@@H]2CC[C@@H](C2)C1)(c1ccccc1)C1CCCCC1 4934831 YTKGWTCAIJTXJU-JTAQYXEDSA-N 341.539 4.967 0 40 EJAB Cc1c(C)c2ccc(OCc3cccc(Cl)c3)c(C)c2oc1=O 5548200 MNERWUGSGQKLPW-UHFFFAOYSA-N 328.795 4.951 0 40 EJAB Cc1nnc(S[C@@H](C(=O)c2ccccc2)c2ccccc2)n1C1CC1 7617361 KJGMITYIPFWJMZ-LJQANCHMSA-N 349.459 4.638 0 40 EJAB Cc1cc(C)n(-c2ccc(C(=O)Nc3cccc4ccccc34)cc2)n1 8491433 XKBMPVOKPDITHW-UHFFFAOYSA-N 341.414 4.895 0 40 EJAB Cc1cc(C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)no1 9203975 NLMGGQDPGYMOFM-UHFFFAOYSA-N 335.388 4.512 0 40 EJAB Cc1cc(-c2nn3c(C4CCCCC4)nnc3s2)c2ccccc2n1 9476659 VSQLWTJKQFXLFQ-UHFFFAOYSA-N 349.463 4.757 0 40 EJAB O=C(NCCCCOc1ccc(Cl)cc1)c1cc2ccccc2o1 11084585 VOZJLDIEGHTJCN-UHFFFAOYSA-N 343.810 4.675 0 40 EJAB COc1cc(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)ccc1C 12892267 JBOZAMZEYJAHGI-GOSISDBHSA-N 329.827 4.538 0 40 EJAB C[C@@H](NC(=O)c1csc(-c2ccccc2)n1)c1ccc(F)c(F)c1 12993317 APZSIBGDUSMZMR-LLVKDONJSA-N 344.386 4.579 0 40 EJAB COc1ccc([C@H](C)NC(=S)Nc2ccc(C)c(Cl)c2)cc1 13932687 ZOGWTIPAQUMMIO-LBPRGKRZSA-N 334.872 4.705 0 40 EJAB CC(=O)c1c(C)[nH]c(C(=O)CN[C@H](C)c2ccc3ccccc3c2)c1C 14124181 SCIIABVPOSOHJU-CQSZACIVSA-N 348.446 4.521 0 40 EJAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1Cl 20452065 JVFRUEBHXDOAAC-HNNXBMFYSA-N 342.197 4.929 0 40 EJAB CCc1ccc(CN(C(=O)Nc2ccccc2)c2ccccn2)cc1 21149639 WNLKWLWURHCYLF-UHFFFAOYSA-N 331.419 4.883 0 40 EJAB O=C(COc1ccc2ccccc2c1)N1CCCSc2ccccc21 23228362 DXJOASFCHJLWGH-UHFFFAOYSA-N 349.455 4.748 0 40 EJAB CCC[C@@H](C)NC(=O)c1sc(-c2ccco2)nc1-c1ccccc1 40052299 ZUFFHFZWVHNSLB-CYBMUJFWSA-N 340.448 4.989 0 40 EJAB O=C(CCc1ccc(Cl)cc1)Nc1cccc(Br)c1 40995101 XKVTXIJANGBIAM-UHFFFAOYSA-N 338.632 4.674 0 40 EJAB CCSc1ccccc1C(=O)Nc1cccc2ccc(OC)nc12 49027940 PTZSUQWXMOZBCO-UHFFFAOYSA-N 338.432 4.608 0 40 EJAB CN(CCCc1ccccc1)CCCc1cc(-c2ccccc2)no1 60356449 YRDGIYUEOHBWNT-UHFFFAOYSA-N 334.463 4.839 0 40 EJAB O=C(Nc1ccc(Oc2ccccc2)nc1)c1cc2c(s1)CCC2 65750651 MZPGPZQKCKZJGS-UHFFFAOYSA-N 336.416 4.676 0 40 EJAB C[C@H](NC(=S)N1CCCSc2ccccc21)c1ccccc1 95350817 WPKHZCBTXMTUAT-AWEZNQCLSA-N 328.506 4.625 0 40 EJAB O=C(CCc1cccc(Cl)c1)N1CCS[C@H](c2ccco2)CC1 219418923 GMPMSSRAWAKMMZ-KRWDZBQOSA-N 349.883 4.572 0 40 EJAB CCCCOCc1cc(C(=O)Nc2ccc(F)cc2F)ccc1OC 224437666 NKVSFMXZYHADAP-UHFFFAOYSA-N 349.377 4.542 0 40 EJAB CCO[C@@]1(C(=O)Nc2ccc(O[C@@H](C)CC)cc2)CCC[C@@H](C)C1 225713067 AONLKXUKUSKWCL-GUXCAODWSA-N 333.472 4.788 0 40 EJAB CCO[C@@](C)(C(=O)Nc1ccc(OC(C)C)c2ccccc12)C1CC1 225837070 FIJUGARTXYQHAS-OAQYLSRUSA-N 341.451 4.771 0 40 EJAB Cn1c(SCc2ccc(Br)cc2)nc2ccccc21 36249 QITCIHNCMDSWPM-UHFFFAOYSA-N 333.254 4.628 0 40 EJAB CC(C)c1cccc(C(C)C)c1NC(=O)[C@H]1COc2ccccc2O1 138275 OYACKNDMELGOSJ-LJQANCHMSA-N 339.435 4.712 0 40 EJAB Clc1ccc(-c2cc3nccc(-c4ccccn4)n3n2)cc1Cl 1396026 OKIZGWJJWOIFRU-UHFFFAOYSA-N 341.201 4.765 0 40 EJAB Cc1c(Cl)cccc1NC(=O)CSCCCc1ccccc1 2617499 LAGDSVGWJMEAJP-UHFFFAOYSA-N 333.884 4.953 0 40 EJAB CCC(CC)c1nnc(NC(=O)c2cc(F)c(F)cc2Cl)s1 2626769 ZLUQQVNDZNXJNU-UHFFFAOYSA-N 345.802 4.626 0 40 EJAB COc1ccccc1NC(=O)OCc1ccc(Cl)c(Cl)c1 2652819 CXRWPMJPJPFEEB-UHFFFAOYSA-N 326.179 4.751 0 40 EJAB CCCCC(=O)N(CCC)c1nnc(-c2ccc(OCC)cc2)s1 4982605 RCDHSFNVFZHXJW-UHFFFAOYSA-N 347.484 4.537 0 40 EJAB COCc1cccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c1 5278669 LTOSOYFNATTWGO-UHFFFAOYSA-N 333.387 4.878 0 40 EJAB Cc1cc(Cl)ccc1NC(=O)Cc1csc(-c2ccccc2)n1 5577843 GKTKPVGCKVZCGI-UHFFFAOYSA-N 342.851 4.953 0 40 EJAB O=C(O)CCCc1cn(Cc2ccccc2Cl)c2ccccc12 6751207 PIROIPXGZZUAQU-UHFFFAOYSA-N 327.811 4.750 0 40 EJAB COc1ccc(Nc2nc(-c3cc(OC)ccc3OC)cs2)cc1 7363133 QQYQJDRRDGVFAH-UHFFFAOYSA-N 342.420 4.580 0 40 EJAB CCOC(=O)c1ccc(-c2ccc(CNC3CCCCC3)o2)cc1 7519676 VFPDTETWAGGTBS-UHFFFAOYSA-N 327.424 4.546 0 40 EJAB Cc1sc2nc(/C=C/c3cccc4ccccc34)[nH]c(=O)c2c1C 7738362 CAGAUZDBIKGLIA-ZHACJKMWSA-N 332.428 4.925 0 40 EJAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1cc(Cl)ccc1Cl 8040957 MDLABZDIUWAIEK-CQSZACIVSA-N 342.197 4.929 0 40 EJAB COc1ccc(NC(=O)[C@H](C)SCc2cccc(Cl)c2)cc1 8185048 PZQBCHAHKIUNPN-LBPRGKRZSA-N 335.856 4.609 0 40 EJAB O=C(CCc1ccccc1)Nc1ccc(NC(=O)c2ccccc2)cc1 8471432 DOOXGBMKRWFAGT-UHFFFAOYSA-N 344.414 4.510 0 40 EJAB Cc1cccc(OCC(=O)Nc2nc3c(C)ccc(C)c3s2)c1C 9141249 DDXPEMYVLSBSJM-UHFFFAOYSA-N 340.448 4.547 0 40 EJAB Cc1cc(C)cc(-n2nc(C)c3c2N=C(O)C[C@@H]3c2ccsc2)c1 9486616 CUUFTVGENPAALK-MRXNPFEDSA-N 337.448 4.983 0 40 EJAB CCCn1c(C)cc(-c2csc(NC(=O)c3ccc(C)o3)n2)c1C 10888081 PNUJLLNLBAJPQD-UHFFFAOYSA-N 343.452 4.792 0 40 EJAB Cc1c(Cl)ccc(OCC(=O)Nc2ccc(F)c(Cl)c2)c1C 12138060 IGFGEYCNIZSREM-UHFFFAOYSA-N 342.197 4.767 0 40 EJAB C[C@@H]1CC[C@H](c2cccn2C)N(C(=S)Nc2ccccc2)CC1 18943509 DTCACUGAERELGV-CRAIPNDOSA-N 327.497 4.585 0 40 EJAB COc1cccc2c1CC[C@@H]1[C@H]2CC[C@@H]2C[C@H](OC(C)=O)CC[C@]21C 25665352 NTOWCXZNUSRHKI-VXWLBURMSA-N 342.479 4.873 0 40 EJAB Cc1noc(C)c1CCC(=O)OCc1sc2ccccc2c1Cl 26887635 UZPXJJBGIARRKD-UHFFFAOYSA-N 349.839 4.836 0 40 EJAB CC(C)c1ccccc1O[C@H](C)C(=O)N[C@@H]1CCCc2ccccc21 30871987 LOXFYUCMOYUHEG-OXQOHEQNSA-N 337.463 4.771 0 40 EJAB Cc1nc(-c2ccccc2)sc1CC(=O)NCCC1=CCCCC1 38679543 DKDCRQLXTLEYES-UHFFFAOYSA-N 340.492 4.668 0 40 EJAB COc1ccc2cc([C@@H](C)C(=O)NCc3ccc(C)cc3)ccc2c1 68755544 HTOSSTCZJJSNAT-MRXNPFEDSA-N 333.431 4.577 0 40 EJAB Cc1cc(C)c2oc(-c3cccc(I)c3)nc2c1 73639044 ZRAWEKXWBKHOKB-UHFFFAOYSA-N 349.171 4.716 0 40 EJAB O=C(Cc1ccccc1Cl)N1CCC[C@@H]1CCc1ccccc1 84528436 LCUQBLBUISZBCR-GOSISDBHSA-N 327.855 4.506 0 40 EJAB O=C(Nc1ccc(OC2CCCC2)cc1)[C@@H]1Cc2ccccc2S1 84581783 UWZPDXAAXFYROT-IBGZPJMESA-N 339.460 4.664 0 40 EJAB CCCN([C@@H](C)c1cc2ccccc2o1)S(=O)(=O)c1cccs1 84750204 NFTAZPCPFLCOLK-ZDUSSCGKSA-N 349.477 4.656 0 40 EJAB CC[C@H](C)n1ncc(C(=O)Nc2ccc3ncccc3c2)c1C1CC1 89770933 JNMONROYLZMJBM-ZDUSSCGKSA-N 334.423 4.532 0 40 EJAB O=C(N[C@H]1CCCc2c1[nH]c1ccc(F)cc21)c1ccc2[nH]ccc2c1 96116793 BKZUFGTZYMXIMP-IBGZPJMESA-N 347.393 4.596 0 40 EJAB CCc1ccc2oc(=O)cc(-c3oc4ccccc4c3NC(C)=O)c2c1 100653781 SSTHNGUUWMGSNI-UHFFFAOYSA-N 347.370 4.727 0 40 EJAB O=C1S/C(=C/c2cccc(Cl)c2)C(=O)N1Cc1ccc(F)cc1 214254235 LUTDTLMFBHRBFI-OQLLNIDSSA-N 347.798 4.716 0 40 EJAB Cc1ccc(C)c(OCC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)c1 218949817 ZKBQYWJLGASYRE-QGZVFWFLSA-N 339.479 4.857 0 40 EJAB CC[C@@H](NC(=O)c1ccccc1OC(C)C)c1ccc(C)c(C)c1 219745420 MYURZLCIVKQYNG-LJQANCHMSA-N 325.452 4.972 0 40 EJAB CCc1ccc(O[C@@H](CC)C(=O)N[C@@H](C)CCc2ccccc2)cc1 222889025 CWPBAZKBOILSHF-UWJYYQICSA-N 339.479 4.544 0 40 EJAB CC1=CC(C)(C)N(C(=O)C(C)(C)Br)c2ccc(F)cc21 223237535 BMJLDBGDCCNNMM-UHFFFAOYSA-N 340.236 4.528 0 40 EJAB COc1cc(C)c([C@@H](C)NC(=O)c2ccc(C)cc2)cc1C(C)C 223262460 ODOKXPZNOFKOLW-MRXNPFEDSA-N 325.452 4.926 0 40 EJAB COc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1COCC(C)C 224447501 NKMBVLJKMPQSTR-UHFFFAOYSA-N 341.451 4.737 0 40 EJAB COc1ccc(C(=O)Nc2ccccc2Cl)cc1COCC(C)C 224448220 NNFMAJFWHUNXKM-UHFFFAOYSA-N 347.842 4.774 0 40 EJAB O=C(Nc1ccc2nc(-c3ccc(Cl)cc3)oc2c1)C(F)(F)F 226270942 BOUTZSWFSOXNAW-UHFFFAOYSA-N 340.688 4.649 0 40 EJAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4C[C@@H](C)C(=O)[C@]4(C)CC[C@H]32)C1 253612213 CEDMTUMXNJENDO-VNEZQXOFSA-N 344.495 4.696 0 40 EJAB CCn1c(-c2ccc(C)cc2)c(C)s/c1=N\C(=O)c1cccs1 408562533 QSKWGHZGZSFZMH-HNENSFHCSA-N 342.489 4.656 0 40 EJAB C/C(=C\c1cnc(-c2ccco2)s1)c1nc(O)c2ccsc2n1 550974825 WPNANQVFRXPUMM-VQHVLOKHSA-N 341.417 4.674 0 40 EJAB O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1ccc(Cl)cc1 190911 OMEHZGUCGYPONP-UHFFFAOYSA-N 332.787 4.855 0 40 EJAB O=c1c2c(-c3cccs3)csc2[nH]c(=S)n1-c1ccccc1 1307539 QPGZFTYZRQKKPE-UHFFFAOYSA-N 342.470 4.838 0 40 EJAB O=C(Cc1ccc(Br)cc1)c1ccccc1C(F)(F)F 2393037 UWWVOIIZMVHEMS-UHFFFAOYSA-N 343.142 4.893 0 40 EJAB CCCCCn1c(-c2ccc(OC)cc2)nc2nc3ccccc3nc21 2411651 XKQDFZOPQMCPEH-UHFFFAOYSA-N 346.434 4.845 0 40 EJAB CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2562665 XTAARPJDFFXHGH-GRPBBMKTSA-N 346.511 4.920 0 40 EJAB biogenic,in-vitro CCCCC[C@@H](C)NC(=O)CCCOc1ccc(Cl)cc1C 2740699 OWJJKVRAKVNFOQ-OAHLLOKOSA-N 325.880 4.892 0 40 EJAB Cc1ccc(F)cc1NC(=O)c1cc(Br)ccc1Cl 3444495 JVJACFBYRWGOIQ-UHFFFAOYSA-N 342.595 4.802 0 40 EJAB O=C(NC(c1ccccc1)c1ccccc1)c1c(F)cccc1Cl 3455918 FKPSSFOKMKSUOJ-UHFFFAOYSA-N 339.797 4.999 0 40 EJAB CCCN1[C@H]2CCC[C@@H]1CC(NC(=O)c1ccc(C(C)(C)C)cc1)C2 4887098 OFKUSYBRPXZRKU-IHWFROFDSA-N 342.527 4.509 0 40 EJAB COc1cccc(NC(=O)c2ccc3noc(-c4ccccc4)c3c2)c1 5034721 XXVZKQFDICMJAH-UHFFFAOYSA-N 344.370 4.756 0 40 EJAB O=C(Cc1ccc(F)cc1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 5155410 MITSOSOMHUIGOI-UHFFFAOYSA-N 345.377 4.550 0 40 EJAB O=C(Nc1nc(-c2nc3ccccc3s2)cs1)c1cccs1 6496699 XLQKPNAPYNIXGR-UHFFFAOYSA-N 343.458 4.734 0 40 EJAB COCc1c(C(=O)N2CCC[C@@H]2c2cccs2)oc2ccccc12 6847067 ZUFWASSFLUMYCV-OAHLLOKOSA-N 341.432 4.618 0 40 EJAB C[C@H](OC(=O)c1c2c(nc3ccccc13)CCC2)c1ccc(F)cc1 7063629 JKUMKHSXRYOMLV-ZDUSSCGKSA-N 335.378 4.781 0 40 EJAB Cc1ccc(C(=O)Nc2nc(-c3c[nH]c4ccccc34)cs2)s1 9724235 DFQUNCCCWYNEPC-UHFFFAOYSA-N 339.445 4.914 0 40 EJAB O=C(Nc1cccc2ccccc12)c1ccc(CN2CCCC2)cc1 10332802 MPXPXTAFIXORHK-UHFFFAOYSA-N 330.431 4.688 0 40 EJAB COc1cccc(-c2nc(-c3cc4ccccc4oc3=O)cs2)c1 12408480 GTHXZFNCFGEONI-UHFFFAOYSA-N 335.384 4.592 0 40 EJAB Fc1ccc(CSc2nc(-c3cccs3)n[nH]2)c(Cl)c1 12793412 LUMRNSYDWPKDCU-UHFFFAOYSA-N 325.821 4.618 0 40 EJAB CCc1cccc(NC(=O)c2ccc(OCc3cscn3)cc2)c1 12986407 UMYWLXQDXBKAQV-UHFFFAOYSA-N 338.432 4.537 0 40 EJAB Oc1cccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccsc2)c1 13036289 ZAPRQINYUUNAMD-UYAOXDASSA-N 348.427 4.696 0 40 EJAB Cc1ccc2c(c1)CCCN2C(=O)Cc1cccc(C(F)(F)F)c1 14077344 KPIAHPCCHNEAJX-UHFFFAOYSA-N 333.353 4.536 0 40 EJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCc1cccc(C)c1 20486482 SYYWDNQHLFVMRU-HXUWFJFHSA-N 333.431 4.622 0 40 EJAB Cc1nc(Sc2nc3c(Cl)c(C)nn3c3ccccc23)oc1C 22406310 KDQBTZKVIRKNJF-UHFFFAOYSA-N 344.827 4.600 0 40 EJAB CC1CCN(Cc2ccc(C(=O)N3c4ccccc4C[C@H]3C)cc2)CC1 30866768 LYHKDNBYXQTMKZ-GOSISDBHSA-N 348.490 4.510 0 40 EJAB Cc1cc(NC(=O)c2ccc(Cl)cc2Cl)n(C2CCCC2)n1 32647727 XLJHXLKHMFMDIJ-UHFFFAOYSA-N 338.238 4.866 0 40 EJAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(C)c3ncccc23)cc1C 41157009 UFUPHJYGUOSOIA-INIZCTEOSA-N 334.419 4.566 0 40 EJAB CC(C)(C)n1ncc2c1N=C(O)C[C@H]2c1cccc(Br)c1 49545045 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Cc1cccc([C@@H]2CC(=O)c3c(C)nn(-c4cccc(C)c4)c3C2)c1 20632887 XXVKXFWEULXZDB-SFHVURJKSA-N 330.431 4.710 0 40 EJAB CC1(C)C[C@H](NCC[C@H](Cc2ccccc2)c2ccccc2)CCO1 32090563 APLNCVHBUSGQIW-FGZHOGPDSA-N 337.507 4.950 0 40 EJAB COCc1c(C(=O)N(C)[C@@H](C)c2ccc(F)cc2)oc2ccccc12 32841862 GEAAQZBLDCTSAA-ZDUSSCGKSA-N 341.382 4.552 0 40 EJAB Fc1ccc(-c2csc3ncnc(NCc4nccs4)c23)cc1 32935559 JVZUNUMDYSYIBA-UHFFFAOYSA-N 342.424 4.566 0 40 EJAB Cc1csc(N(C(=O)[C@H](C)Oc2ccccc2)c2ccccc2)n1 32985999 LOYLSIAGWSAVQN-HNNXBMFYSA-N 338.432 4.584 0 40 EJAB Fc1ccc(-c2cc(-c3nnn[nH]3)c(-c3ccc(F)cc3)s2)cc1 35017884 BRRVEVGTVZJWMC-UHFFFAOYSA-N 340.358 4.540 0 40 EJAB CC[C@H]1c2ccsc2CCN1C(=O)Nc1cc(C)nn1C(C)(C)C 68607190 VSNHRVVZCXACNF-AWEZNQCLSA-N 346.500 4.549 0 40 EJAB O=C(Cc1ccccc1F)N1Cc2ccccc2[C@H](c2ccccc2)C1 70038838 YTAXPJQMWXBIEL-NRFANRHFSA-N 345.417 4.543 0 40 EJAB Fc1cc(Br)ccc1-c1nc2cc(Cl)ccc2[nH]1 70238357 VVCXVAIORUGDKV-UHFFFAOYSA-N 325.568 4.785 0 40 EJAB OC1=Nc2ccsc2[C@@H](c2cc(Cl)c3c(c2)OCO3)SC1 71279880 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COc1cc(C)c(C(=O)NCCSc2ccccc2)cc1C(C)C 225656520 KZQDCTDGTKGLER-UHFFFAOYSA-N 343.492 4.649 0 40 EJAB O=C([C@@H]1CCCC(F)(F)C1)N(Cc1cccnc1)c1ccc(F)cc1 252502228 UNTORGUVGBXOBB-OAHLLOKOSA-N 348.368 4.579 0 40 EJAB S=C(c1cccc(OCc2ccc(Cl)cc2)c1)N1CCCC1 408577207 RWOSUDWUFVLFJF-UHFFFAOYSA-N 331.868 4.690 0 40 EJAB O=C(c1cc2sccc2[nH]1)N1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 552961892 VNLMQVHDJNYNNH-IIDMSEBBSA-N 336.460 4.638 0 40 EJAB Cc1noc(C)c1[C@@H](C)CC(=O)Nc1cccc2c(Cl)nccc12 585124591 ITOQPMIWMDJNAK-JTQLQIEISA-N 343.814 4.625 0 40 EJAB Cc1cc(C(F)(F)F)nc(N2CCC[C@H](C3CCCCC3)C2)n1 1612648768 OJFQWUYPBJRDRQ-AWEZNQCLSA-N 327.394 4.601 0 40 EJAB CC[C@H](Oc1ccccc1C)c1nnc(C2(c3ccccc3)CC2)o1 1615585483 ATAJLTONPACZGN-KRWDZBQOSA-N 334.419 4.988 0 40 EJAB O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1ccco1 90136 ANXQEGUBQZAWEX-UHFFFAOYSA-N 347.779 4.612 0 40 EJAB CC(C)Cn1c(-c2cccc(OC(F)(F)C(F)F)c2)n[nH]c1=S 2792275 RFUWTSAVQHXLLA-UHFFFAOYSA-N 349.353 4.500 0 40 EJAB Cc1ccn2c(Nc3ccc4c(c3)OCO4)c(-c3ccsc3)nc2c1 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CC[C@@H](C)Nc1ncccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C 72213441 NSTFDXBOZMPHJD-ZBFHGGJFSA-N 333.476 4.754 0 40 EJAB CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1C 72215253 AYUZVIXLECWNNY-WBVHZDCISA-N 347.503 4.778 0 40 EJAB Cc1cc2oc(C(=O)Nc3ccccc3Cl)cc(=O)c2cc1Cl 72238567 QMJWSBZXHXIONW-UHFFFAOYSA-N 348.185 4.661 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)COc2cc(C)ccc2C(C)C)c(C)c1 78458857 QPFAUPWQSZXOMC-GOSISDBHSA-N 339.479 4.991 0 40 EJAB CCCCCc1nnc(NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)s1 107835007 SFMMYLUGWZEKAG-GHMZBOCLSA-N 349.422 4.578 0 40 EJAB CCc1cccc(CC)c1NC(=O)c1csc(-c2ccoc2)n1 108150542 JYLARKDCIZJPRT-UHFFFAOYSA-N 326.421 4.780 0 40 EJAB CCOC(=O)c1cc(Cl)c2[nH]c(-c3ccc(Cl)cc3)nc2c1 216922216 NYNXLUOSAKWHQV-UHFFFAOYSA-N 335.190 4.713 0 40 EJAB Cc1ccc(O[C@@H](C)C(=O)N[C@@H](CC(C)C)c2ccccc2)c(C)c1 219530607 NOSCQJZXJUUZJY-ICSRJNTNSA-N 339.479 4.974 0 40 EJAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H](C)c1ccccc1 223005334 PPOJEVRULPEEAL-KBXCAEBGSA-N 331.843 4.683 0 40 EJAB Cc1c(Cl)cccc1NC(=O)COc1cccc2c1CCCC2 223165449 KZWQEFXDDOLUSP-UHFFFAOYSA-N 329.827 4.545 0 40 EJAB Cc1ccc(C)c(OCCNC(=O)c2ccccc2SC(C)C)c1 224030485 UXFKWLCHIBBCOM-UHFFFAOYSA-N 343.492 4.613 0 40 EJAB CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1cccc2c1CCCC2 225570345 ZIFLNGNITCNYAJ-MRXNPFEDSA-N 337.463 4.842 0 40 EJAB COc1cccc(NC(=S)N[C@H](C)CC(C)(C)c2ccccc2)c1 225658517 JZXFZQZYHHFQBE-OAHLLOKOSA-N 342.508 4.738 0 40 EJAB COc1cccc(NC(=O)N[C@@H](C)CC(C)(C)c2ccccc2)c1 225763246 YHIJLLYMFCKKAU-HNNXBMFYSA-N 326.440 4.573 0 40 EJAB Cc1ccc(S(=O)(=O)N(c2cccc3ccccc23)C(F)F)cc1 314335 CSVUFXKASSCDIV-UHFFFAOYSA-N 347.386 4.566 0 40 EJAB FC(F)(F)c1cccc(-c2cc(-c3cn4ccccc4n3)on2)c1 1382755 SLTHAQPHBNAGBL-UHFFFAOYSA-N 329.281 4.675 0 40 EJAB CC(C)c1ccc(OCc2ccc(C(=O)NCc3ccco3)o2)cc1 2750923 VWUMUGWVMVXDQT-UHFFFAOYSA-N 339.391 4.505 0 40 EJAB O=C(Cc1ccsc1)Oc1ccc2cc(Br)ccc2c1 3360541 RQQIQSIKFVHWNF-UHFFFAOYSA-N 347.233 4.812 0 40 EJAB CCn1cc(CC[C@@H](C)NC(=O)c2ccc(F)cc2)c2ccccc21 3765546 UFDHMGMQXJJYBE-OAHLLOKOSA-N 338.426 4.551 0 40 EJAB c1ccc(-c2c(-c3nc4ccccc4[nH]3)n[nH]c2-c2ccco2)cc1 4036646 ZFMMKRLTIWSQFR-UHFFFAOYSA-N 326.359 4.880 0 40 EJAB O=C(OCc1nc2ccccc2s1)c1cc(Cl)cc(Cl)c1 4070495 JEFLVNVVTGASRD-UHFFFAOYSA-N 338.215 4.960 0 40 EJAB Cc1cc(C)c2sc(NC(=O)CSc3ccccc3)nc2c1 4496696 YKMDFSZAPNQLON-UHFFFAOYSA-N 328.462 4.644 0 40 EJAB COc1ccc(CC(=O)Nc2ccccc2-c2ccccc2)cc1OC 5676139 FCKHRUQUMJPTAJ-UHFFFAOYSA-N 347.414 4.552 0 40 EJAB C[C@H](Sc1nnc(-c2ccccc2)o1)C(=O)c1c[nH]c2ccccc12 8234122 DOVOCBDIOVTTDG-LBPRGKRZSA-N 349.415 4.581 0 40 EJAB COc1cc(CNC2CCCC2)ccc1OCc1ccccc1Cl 8472115 HPUBCDHGCQWEIT-UHFFFAOYSA-N 345.870 4.960 0 40 EJAB Cc1cccc(C(=O)NCc2ccccc2COc2ccccc2)c1 11454180 GKZPSIRQXFTCGE-UHFFFAOYSA-N 331.415 4.504 0 40 EJAB CC(C)CC(=O)Nc1ccc(-c2cn3cc(Cl)ccc3n2)cc1 12529557 QCFFIFSHWXWACL-UHFFFAOYSA-N 327.815 4.639 0 40 EJAB C[C@@H]1c2cccn2CCN1C(=S)Nc1ccc(Cl)cc1Cl 16310226 DOIZYZHTHQUGPS-SNVBAGLBSA-N 340.279 4.569 0 40 EJAB Oc1cc(Cl)c(O)c(/C=C\COCc2ccccc2)c1Cl 17062220 WDFMGAARHUNEOU-DAXSKMNVSA-N 325.191 4.635 0 40 EJAB Cc1cc(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)c(C)o1 32900611 NVQBNHQHBSHMBG-UHFFFAOYSA-N 349.390 4.793 0 40 EJAB CCN(Cc1ccc(OC)c(F)c1)C(=O)Nc1ccc(C)cc1C 40095404 KXKXBXMHONREKB-UHFFFAOYSA-N 330.403 4.505 0 40 EJAB Cc1ncsc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3)=NN21 51329700 DTWUYRHBYJFWGS-PXNSSMCTSA-N 347.443 4.694 0 40 EJAB CCN(C(=O)c1cc(-c2cccc(Cl)c2)[nH]n1)c1cccc(C)c1 57412722 GCLPHLFSSZGKLR-UHFFFAOYSA-N 339.826 4.705 0 40 EJAB COc1ccc(Cl)cc1C(=O)c1ccc(C)c(Br)c1 95916309 BDHWVVQTMVTDCJ-UHFFFAOYSA-N 339.616 4.651 0 40 EJAB O=C(Nc1cccc(Cl)c1N1CCCC1)c1ccc(Cl)cc1 107939224 SDZIUQZYFDUIJI-UHFFFAOYSA-N 335.234 4.846 0 40 EJAB CSc1ccc(CNc2ncc(-c3ccc(F)cc3)n2C)cc1 199414348 QYARENUBABTUPS-UHFFFAOYSA-N 327.428 4.560 0 40 EJAB NC[C@@H](OCc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl 212541407 OKCIIBHHLAAJHP-OAHLLOKOSA-N 330.642 4.863 0 40 EJAB in-vitro COc1ccc([C@H](CC(C)C)NC(=O)CCc2ccc(F)cc2)cc1 224570424 YNBBNMZRZCQKHC-FQEVSTJZSA-N 343.442 4.671 0 40 EJAB CCCC[C@H](CC)CNC(=O)[C@@H](CC)Oc1ccc(Cl)cc1 224621912 QAOSRGSBYKFGGB-WMLDXEAASA-N 325.880 4.830 0 40 EJAB Cc1cccc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccccc32)c1 225574793 LMOVKWHCFGKPRD-MRXNPFEDSA-N 326.465 4.584 0 40 EJAB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OC)c(C(F)(F)F)c1 225824273 TZVGCGSNTXFNAQ-MRXNPFEDSA-N 347.377 4.638 0 40 EJAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NC1CCCCCCC1 408705500 HDIQHNAQCMNPHO-INIZCTEOSA-N 331.500 4.981 0 40 EJAB C[C@@H]1CCN(Cc2nc3ccccc3n2C(F)F)[C@H]2CCCC[C@@H]21 613416686 XNISAHDRTYMJOE-FMKPAKJESA-N 333.426 4.832 0 40 EJAB CC(C)c1cc(Br)cc(C(=O)OCc2ccccc2)c1 675082131 UALBDWYPRUUJRI-UHFFFAOYSA-N 333.225 4.930 0 40 EJAB O=C(/C=C/c1ccccc1)Nc1c(-c2ccccc2)nc2ccccn12 75309 ZCDIHZHVCSHRMQ-CCEZHUSRSA-N 339.398 4.653 0 40 EJAB COc1cccc(Oc2ncnc3sc4c(c23)CCCCC4)c1 351551 ZFIYYWYERMBACB-UHFFFAOYSA-N 326.421 4.761 0 40 EJAB Cc1ccc(OCC(=O)Nc2nc3ccc(Cl)cc3s2)cc1C 569328 HIWDBOJKXIUKPI-UHFFFAOYSA-N 346.839 4.584 0 40 EJAB O=C(CSCc1ccccc1Cl)Nc1ccccc1Cl 1400558 WWHNAXRZSPZIDD-UHFFFAOYSA-N 326.248 4.865 0 40 EJAB CCN(CC)[C@H](C1CCCCC1)[C@H](Cc1cccs1)OC(C)=O 1671253 BDBASLFJMHPDPY-RBUKOAKNSA-N 337.529 4.513 0 40 EJAB C[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cccc(Cl)c2)N3)C1 2492890 UETJGRSSEKWJRT-BJOHPYRUSA-N 332.856 4.955 0 40 EJAB Cc1ccc(NC(=O)CNc2ccccc2Oc2ccccc2)cc1 3357643 MEXRATLLKLBFSB-UHFFFAOYSA-N 332.403 4.838 0 40 EJAB CC(=O)c1ccc(NC(=O)c2ccc(COc3ccccc3)cc2)cc1 3479560 BIJPZPUVMOIJDR-UHFFFAOYSA-N 345.398 4.721 0 40 EJAB O=C(Nc1ccccc1OC(F)F)c1cc2c(s1)CCCCC2 6329789 LPIPUMADTNZDTG-UHFFFAOYSA-N 337.391 4.871 0 40 EJAB COc1ccc(C(C)(C)C)cc1NC(=O)CCOc1ccc(C)cc1 7058391 TVMZFECZOHDRDS-UHFFFAOYSA-N 341.451 4.709 0 40 EJAB O=C(NCCC1=CCCCC1)c1cccc(OCc2ccccc2)c1 7668604 MOKURMCDZOQCSY-UHFFFAOYSA-N 335.447 4.886 0 40 EJAB COc1ccc(C)cc1NC(=O)CCOc1ccc(C(C)(C)C)cc1 8076141 FBEWIROYZNKUBK-UHFFFAOYSA-N 341.451 4.709 0 40 EJAB O=C(Cc1ccc2ccccc2c1)NCC1(c2ccccc2)CCC1 11177606 YIFHQRNNBYUVLV-UHFFFAOYSA-N 329.443 4.620 0 40 EJAB Cc1cccc(/C=C/C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)c1 12896751 HXJWNDVXGIPIFE-IENJSVCTSA-N 348.471 4.982 0 40 EJAB COc1ccc(-c2ccc(CCC(=O)NCc3ccccc3C)o2)cc1 12995638 HUJVDCNCMUBBKQ-UHFFFAOYSA-N 349.430 4.513 0 40 EJAB Cc1cc(NC(=O)c2cccc(Oc3ccccc3)c2)n(C(C)C)n1 13656934 WDCLWPVLUKHYRW-UHFFFAOYSA-N 335.407 4.817 0 40 EJAB C[C@H](Oc1ccc2ccccc2c1)C(=O)NC12CC3CC(CC(C3)C1)C2 13708660 YDQAKJKKMWBQAV-SCUMNGBJSA-N 349.474 4.692 0 40 EJAB O=C(Nc1ccc(SC(F)F)cc1)c1cc(O)nc2ccccc12 14122927 UVZOCNZDNDCBGP-UHFFFAOYSA-N 346.358 4.507 0 40 EJAB C=Cn1ncc(CN2CCC(c3cc4c(C)cccc4cn3)CC2)c1C 19236699 DGAWNPHVPUXHDD-UHFFFAOYSA-N 346.478 4.528 0 40 EJAB CCOc1ccc([C@H](C)NC(=O)[C@@H](C)SCc2ccccc2)cc1 20041163 ZBJJTEQFXNORSQ-JKSUJKDBSA-N 343.492 4.584 0 40 EJAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccc(OC(C)C)cc2)c1 20108414 LCORPCYBKVTJKS-KRWDZBQOSA-N 341.451 4.805 0 40 EJAB Cc1cccc(-c2noc(-c3cccnc3NC3CCCCC3)n2)c1 20898159 VEZDXQOBINBCTE-UHFFFAOYSA-N 334.423 4.852 0 40 EJAB Cc1cc2oc(C(=O)Nc3ccc4ccccc4c3)cc(=O)c2cc1C 27664617 NFIYFKKCYPBQDV-UHFFFAOYSA-N 343.382 4.815 0 40 EJAB COc1cccc(/C=C2\C(=O)Nc3cc(Cl)ccc32)c1OC(C)C 33471251 VRLSIUKUBKZHLF-DHDCSXOGSA-N 343.810 4.629 0 40 EJAB O=N/C=C1/C=CC=CN1CCCCCCN1C=CC=C/C1=C/N=O 38165689 AZBNAGGNLZHEDV-IQRFGFHNSA-N 326.400 4.533 0 40 EJAB c1csc(-c2nc(CSc3ccc4c(c3)OCCCO4)co2)c1 39580818 GIDDIJUTCCNSBU-UHFFFAOYSA-N 345.445 4.857 0 40 EJAB C[C@@H]1CN(C(=O)C(c2ccccc2)c2ccccc2)c2ccccc21 60598303 OLVLEOUSFDPBDO-QGZVFWFLSA-N 327.427 4.969 0 40 EJAB CCc1ccc([C@H](C)NC(=O)[C@@H](CC)Oc2ccccc2Cl)cc1 78458490 JCIIKYMFLHWWNH-KBXCAEBGSA-N 345.870 4.937 0 40 EJAB CC[C@@H](NC(=O)CSCc1ccccc1C)c1ccc(C)cc1 216464785 HAMSDKOEJFBSGK-LJQANCHMSA-N 327.493 4.804 0 40 EJAB Cc1cc(C)c(NC(=O)c2cnc(Cc3ccccc3)nc2C)c(C)c1 225795368 MUWUWKRFCYCTDP-UHFFFAOYSA-N 345.446 4.553 0 40 EJAB Nc1cc(Cl)ccc1NC(=O)c1ccc(-c2ccccc2F)o1 226348025 LPJUGYPNMWXXTI-UHFFFAOYSA-N 330.746 4.574 0 40 EJAB Clc1ccccc1CSc1nnc2sc3ccccc3n12 160123 KSOUVTAYXKQMRS-UHFFFAOYSA-N 331.853 4.890 0 40 EJAB CC(C)Oc1ccc(C(=O)Nc2nc3ccc(Cl)cc3s2)cc1 371593 HMZGWMJCOYXHPH-UHFFFAOYSA-N 346.839 4.989 0 40 EJAB CCOc1ccc(OCC)c(NC(=O)c2oc3ccccc3c2C)c1 414668 ZBYGDQCQEPLXQF-UHFFFAOYSA-N 339.391 4.791 0 40 EJAB Cc1cc(C)c(OCC(=O)Nc2nc3ccccc3s2)c(Cl)c1 570231 XMPKBSFKMWWXAD-UHFFFAOYSA-N 346.839 4.584 0 40 EJAB Cc1c([C@H](C)OC(=O)Nc2ccc(Cl)cc2)sc2nccn12 1396217 IUQKVBOMVWYIQH-JTQLQIEISA-N 335.816 4.667 0 40 EJAB COC(=O)[C@H](CC(=O)c1ccccc1)c1c(Cl)cccc1Cl 1397632 FQQJZEKLZCFKTL-GFCCVEGCSA-N 337.202 4.523 0 40 EJAB CC(C)N[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 2642763 SRRYSPSBJMMKMC-INIZCTEOSA-N 337.250 4.671 0 40 EJAB Brc1cccc2sc(N3CCc4ccccc4C3)nc12 4137858 BRHJEAYWGNUEBS-UHFFFAOYSA-N 345.265 4.622 0 40 EJAB O=C(O)c1cc(Nc2nc(-c3ccc(Cl)cc3)cs2)ccc1O 4711777 PEYJUMYTMGPQOK-UHFFFAOYSA-N 346.795 4.611 0 40 EJAB O=c1oc2ccc(Br)cc2cc1-c1nc(C2CC2)cs1 5100213 NVYZEGLVIBMNJF-UHFFFAOYSA-N 348.221 4.556 0 40 EJAB C[C@@H]1CCc2nc3ccccc3c(C(=O)NC3CCCCCC3)c2C1 6112602 VFQZKTBXWXBIMF-OAHLLOKOSA-N 336.479 4.812 0 40 EJAB Cc1cc2nc(Nc3ccc(F)c(Cl)c3)c3ccccc3n2n1 7737816 HAYSZDDHPAAOHT-UHFFFAOYSA-N 326.762 4.727 0 40 EJAB CC(=O)c1c(C)[nH]c(-c2csc(COc3ccccc3)n2)c1C 8042338 IPGSLFXZXYRVPD-UHFFFAOYSA-N 326.421 4.537 0 40 EJAB C[C@H](Sc1nncn1-c1cccc(Cl)c1)c1ccc(F)cc1 8427798 WHLLFTRPSKNYTQ-NSHDSACASA-N 333.819 4.913 0 40 EJAB O=C(Cc1ccsc1)Nc1ccc(-c2nc3ccccc3o2)cc1 9058055 NFCSRBVOLGCZQJ-UHFFFAOYSA-N 334.400 4.738 0 40 EJAB CCCSc1ncc(Cl)c(C(=O)Nc2ccc(C)cc2C)n1 9431812 CFMDARNOFHJXES-UHFFFAOYSA-N 335.860 4.501 0 40 EJAB CC(=O)c1cccc(NC(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)c1 10026209 YRCVYVAXUSSIRA-ZDUSSCGKSA-N 346.430 4.748 0 40 EJAB CCCOc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1OC 10038513 STFPHCZOSNIIIU-UHFFFAOYSA-N 333.815 4.698 0 40 EJAB Cc1ccc(CNC(=O)c2sc(-c3ccsc3)nc2C)cc1F 12488824 CRWCBMGXVFXRFP-UHFFFAOYSA-N 346.452 4.558 0 40 EJAB O=c1c2ccccc2nc(-c2ccccc2)n1C/C=C/c1ccccc1 12997360 JPPWOSFOYOCHAD-FMIVXFBMSA-N 338.410 4.777 0 40 EJAB CCC(=O)NC1=Nc2ccccc2N=C(CC)[C@@H]1c1ccc(F)cc1 14608087 RQIRDTIJIVCHBL-IBGZPJMESA-N 337.398 4.662 0 40 EJAB O=C(/C=C/c1ccsc1)N[C@H](c1ccccc1)c1cccs1 20018777 ABNFYBRUJQUQOT-GFOMBABLSA-N 325.458 4.729 0 40 EJAB CC(C)(C)[C@@H]1CCc2c(sc3nc(-c4ccccc4)[nH]c(=O)c23)C1 20345954 WKTZHPSPKKXJPE-CYBMUJFWSA-N 338.476 4.803 0 40 EJAB CC[C@H](NC(=O)[C@H](C)Oc1cc(C)cc(C)c1C)c1ccc(C)cc1 22530037 DLPMPSQFCSAKGN-ICSRJNTNSA-N 339.479 4.955 0 40 EJAB CC(C)Oc1ccc(C(=O)Nc2cc(-c3ccc(F)cc3)no2)cc1 27990661 XTFSZROGFMBFEV-UHFFFAOYSA-N 340.354 4.520 0 40 EJAB CC(=O)[C@H]1[C@@H](C)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 31554587 XXSFRYVGIQYVIQ-ORLXTKIQSA-N 330.512 4.761 0 40 EJAB biogenic CCc1cc(C(=O)Nc2cc(NC(=O)C3CC3)ccc2C)sc1C 32930676 RDAHEWDSUGJNAD-UHFFFAOYSA-N 342.464 4.528 0 40 EJAB COc1cc(C)c(NC(=O)N[C@H](C)c2cccc(Cl)c2)cc1OC 40103462 WQOWIULAJKXRGQ-GFCCVEGCSA-N 348.830 4.548 0 40 EJAB CCOc1ccc(CCC(=O)Nc2cccc(C)c2C)cc1OCC 44885709 WYXYVWSPIRQLQI-UHFFFAOYSA-N 341.451 4.672 0 40 EJAB O=C(Nc1ccccc1F)c1ccc(-c2nc3ccccc3o2)cc1 72193648 VAOBIVZBRXEIST-UHFFFAOYSA-N 332.334 4.886 0 40 EJAB CC[C@H](C)Nc1ccc([C@H]2CCCCN2C(=O)c2ccccc2)cn1 72213572 PQPUMGBUZNYLNW-QFBILLFUSA-N 337.467 4.659 0 40 EJAB CN1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 72215547 HGRQBAFJBFWAEJ-KRWDZBQOSA-N 345.487 4.532 0 40 EJAB Cc1ccc(C)c(NC(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)c1 72238565 XUOJLAPXLOEAKZ-UHFFFAOYSA-N 341.794 4.624 0 40 EJAB C[C@H]1CC2=C(C[C@@H]1[C@H]1OC[C@@H](CN3CCCCC3)O1)C(C)(C)CCC2 85867332 GWNYATQURCVOGA-KRQVXIAISA-N 347.543 4.767 0 40 EJAB c1csc(CN2CCN(Cc3cccs3)C2c2cccs2)c1 96901850 UDVRIMIDSZLUTC-UHFFFAOYSA-N 346.546 4.888 0 40 EJAB O=C(Cc1cccc(Cl)c1)NC(c1ccccc1)c1ccccc1 225194436 DPDWLFCHBVJEJB-UHFFFAOYSA-N 335.834 4.788 0 40 EJAB COc1ccc(C(=O)CCc2cc(Cl)cc(Cl)c2)cc1F 228937451 AHPZUOBYEPNTJS-UHFFFAOYSA-N 327.182 4.957 0 40 EJAB CC(C)Oc1ccc(NC(=O)[C@H](C)SCc2ccccc2)cc1 408564324 VWKXPHPQROZXMJ-HNNXBMFYSA-N 329.465 4.734 0 40 EJAB Cc1ccccc1CSCCNC(=O)/C=C/c1ccccc1Cl 409025915 AHXPINXLTGWYOJ-ZHACJKMWSA-N 345.895 4.711 0 40 EJAB CCCc1sc2nc(SCC)n(-c3ccccc3)c(=O)c2c1C 409118742 QSULKUHZXSHOTC-UHFFFAOYSA-N 344.505 4.820 0 40 EJAB O=C(Cc1c(F)cccc1Cl)NCc1ccc(-c2cccs2)o1 575609047 NLPJIEDPJQWFDK-UHFFFAOYSA-N 349.814 4.660 0 40 EJAB Cc1oc2ccc(OC(=O)C3CCCCC3)cc2c1C(=O)OC(C)C 539126 GUUJZBVDPALOJN-UHFFFAOYSA-N 344.407 4.792 0 40 EJAB biogenic C[C@H](NC(=O)C(c1ccccc1)c1ccccc1)c1ccc(F)cc1 3333635 VPCRDWNXEKYACZ-INIZCTEOSA-N 333.406 4.835 0 40 EJAB COc1ccccc1[C@@H]1Nc2c(C(=O)O)cccc2[C@H]2[C@H]3CC[C@H](C3)[C@H]21 4151485 CNVSMRIFPOSVDX-IFOOKXPKSA-N 349.430 4.690 0 40 EJAB CCSc1cccc(C(=O)Nc2nc3ccc(F)cc3s2)c1 4585768 QBCFIHWONCZGKF-UHFFFAOYSA-N 332.425 4.800 0 40 EJAB CC(=O)N[C@H]1c2cc(Cl)ccc2-c2c(Cl)cc(Cl)cc21 4984620 BQRCZABCSPLDLW-HNNXBMFYSA-N 326.610 4.853 0 40 EJAB O=C(Nc1ccc(OC(F)F)cc1)c1cc2c(s1)CCCCC2 6329510 OZANFICIDYTYQY-UHFFFAOYSA-N 337.391 4.871 0 40 EJAB O=C(Nc1ccccc1-c1ccccc1)c1ccc(-n2cccn2)cc1 6647200 HYYOQGZEDDMCJN-UHFFFAOYSA-N 339.398 4.792 0 40 EJAB CC(C)(C)C(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1 9141897 ACLZOJDYAYPBJV-UHFFFAOYSA-N 336.391 4.670 0 40 EJAB COc1ccccc1CNC(=O)N[C@H](c1ccc(Cl)cc1)C(C)C 9710882 BCKDJYBLZBCQRC-SFHVURJKSA-N 346.858 4.545 0 40 EJAB c1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccsc2)cc1 10215055 YASSPHSXBBCXCW-AZUAARDMSA-N 332.428 4.990 0 40 EJAB Cc1ccc(NC(=O)Cc2cc(-c3ccc(Cl)cc3)on2)cc1F 12422195 PNWRSUYYEFYROT-UHFFFAOYSA-N 344.773 4.624 0 40 EJAB Cc1ccc(C)c2sc(NC(=O)c3ccc(Cl)cc3F)nc12 12920493 PROXWUKDAPVEIO-UHFFFAOYSA-N 334.803 4.958 0 40 EJAB Cc1ccc2[nH]c(SCC(=O)c3ccc4ccccc4c3)nc2c1 12950721 OWUJPJLNYPQPSV-UHFFFAOYSA-N 332.428 5.000 0 40 EJAB CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(-c2nccs2)cc1 14576017 OZNCAXJIURFOSQ-QGZVFWFLSA-N 338.432 4.606 0 40 EJAB Cc1cccc(C)c1NC(=O)c1ncc(Cl)c(Cl)c1Cl 15992751 ZYQSLEGRRFZMNP-UHFFFAOYSA-N 329.614 4.911 0 40 EJAB O=C(O)c1cc(NC(=O)c2cccc(Cl)c2Cl)ccc1Cl 20138651 MEBODCPUVAAUSW-UHFFFAOYSA-N 344.581 4.597 0 40 EJAB Cc1nc2ccccc2nc1SCc1coc(-c2ccccc2)n1 29282887 WQGFJEPPRKWTNS-UHFFFAOYSA-N 333.416 4.886 0 40 EJAB CCOc1cc(C(=O)Nc2ccc(CC)cc2)cc(Cl)c1OCC 33797385 FEBLPZVFUSVEOA-UHFFFAOYSA-N 347.842 4.952 0 40 EJAB O=C(c1cc(F)c(F)cc1Cl)N1CCC[C@H]1c1cccc(F)c1 36620904 GGZAQAHESJCOEB-INIZCTEOSA-N 339.744 4.735 0 40 EJAB CCOc1ccc(CCC(=O)Nc2cc(C)cc(C)c2)cc1OCC 44844051 OTDHUVSEVMQNNN-UHFFFAOYSA-N 341.451 4.672 0 40 EJAB CC(=O)c1cccc(NC(=O)N[C@H](c2ccc(C)o2)C(C)(C)C)c1 72284981 JSSHCESTAHVUSV-QGZVFWFLSA-N 328.412 4.700 0 40 EJAB O=c1c2cc(Cl)ccc2nc2n1CC/C2=C\c1ccccc1Cl 96759174 RQUKUOYHJQPBDC-FMIVXFBMSA-N 343.213 4.648 0 40 EJAB CCCCCCNC(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1 98073347 DBAMJYHQPJPENI-QGZVFWFLSA-N 337.463 4.718 0 40 EJAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@H](C)C(=O)[C@@]4(C)CC[C@@H]32)C1 118915060 CEDMTUMXNJENDO-CVBBWXIWSA-N 344.495 4.696 0 40 EJAB CC[C@@H](NC(=O)CCc1ccccc1F)c1ccc2c(c1)CCCC2 223135182 IQQQBFIFJLJPAC-OAQYLSRUSA-N 339.454 4.905 0 40 EJAB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OC)c2ncccc12 225898053 RKBNCYAEASTATR-HXUWFJFHSA-N 344.455 4.557 0 40 EJAB O=C(O)C1CCC(N[C@@H](c2ccc(F)cc2)C2CCCCC2)CC1 635319913 OILRXXIUTSEGKR-NKELODKYSA-N 333.447 4.680 0 40 EJAB C[C@H](NC(=O)c1c[nH]nc1-c1ccsc1)c1cccc(C2CC2)c1 1569655789 RVDGUPBGZGBNMS-LBPRGKRZSA-N 337.448 4.507 0 40 EJAB CN(C)CCOc1ccc(Cc2ccccc2)cc1Cc1ccccc1 1718677 PFPURQNLXHBEEL-UHFFFAOYSA-N 345.486 4.809 0 40 EJAB CCCSc1nnc(NC(=O)c2cc(Cl)ccc2Cl)s1 4086632 BQCZGYULSROJQZ-UHFFFAOYSA-N 348.280 4.599 0 40 EJAB CC(C)C[C@H](N)c1nnc(SCc2c(Cl)cccc2Cl)o1 5094110 HQXSJBGYQWMNLG-LBPRGKRZSA-N 346.283 4.715 0 40 EJAB FC(F)(F)c1cccc(NC(=S)Nc2ccccc2S)c1 5581574 AYFXLOXAPCWPTL-UHFFFAOYSA-N 328.384 4.803 0 40 EJAB COc1ccc(CNCc2ccc(-c3cccc(Cl)c3)o2)cc1 7538644 CHFZHMPWWFJIDG-UHFFFAOYSA-N 327.811 4.898 0 40 EJAB COc1ccc(CNC2c3ccccc3-c3ccccc32)cc1OC 7782552 FPAWNJOJXRSCGH-UHFFFAOYSA-N 331.415 4.563 0 40 EJAB CCOc1ccc(NC(=S)N[C@H](CC)c2ccc(OC)cc2)cc1 8085535 LZSUUWAAIKFFOU-GOSISDBHSA-N 344.480 4.532 0 40 EJAB Clc1ccc(OCCSc2nnc(-c3cccs3)o2)cc1 8315770 PTWYXIHMQDUOQE-UHFFFAOYSA-N 338.841 4.623 0 40 EJAB Cc1c(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cccc1[N+](=O)[O-] 8330955 FBQIGTLQYWXLCP-JLHYYAGUSA-N 338.407 4.853 0 40 EJAB Cc1ccc(NC(=O)[C@H](C)Sc2ccc(C(F)(F)F)cn2)cc1 8704554 DFKLHBOAWQHISU-NSHDSACASA-N 340.370 4.528 0 40 EJAB O=C(Nc1ccc(F)c(Cl)c1)c1ccc(CN2CCCCC2)cc1 10338736 UTBJPASBOJXBEO-UHFFFAOYSA-N 346.833 4.717 0 40 EJAB CCCc1cc(C(=O)O[C@H](C)C(=O)c2ccccc2)c2ccccc2n1 11565712 KKYZLFKRMNKITO-OAHLLOKOSA-N 347.414 4.616 0 40 EJAB CC(=O)c1ccccc1NC(=O)CNc1ccccc1-c1ccccc1 11618817 CAPTVKLSNSGPLM-UHFFFAOYSA-N 344.414 4.607 0 40 EJAB Brc1ccc(NCc2cc(-c3ccccc3)no2)cc1 12753122 GSUNNIZJRAQUAG-UHFFFAOYSA-N 329.197 4.716 0 40 EJAB O=C(CCC(=O)c1ccc2c(c1)CCC2)Nc1ccc(F)c(Cl)c1 12975345 NROZKEHMTXRODY-UHFFFAOYSA-N 345.801 4.569 0 40 EJAB COc1ccc(Cl)cc1C(=O)Nc1nc2c(C)ccc(C)c2s1 14258010 CRJOONWTSNYRED-UHFFFAOYSA-N 346.839 4.827 0 40 EJAB CCOC(=O)c1cc(Nc2ccccc2)c2cc(Cl)ccc2n1 15829185 QPGVFQDTLBWINL-UHFFFAOYSA-N 326.783 4.809 0 40 EJAB CSc1ccc([C@H](C)NC(=O)c2ccccc2C(F)(F)F)cc1 20029723 PFHFVRVPBCAKFN-NSHDSACASA-N 339.382 4.918 0 40 EJAB Clc1cc(-c2csc(NC[C@@H]3CCCO3)n2)c(Cl)s1 20672968 BWYAZCUSMGEZMC-ZETCQYMHSA-N 335.281 4.769 0 40 EJAB CCc1cccc(C)c1NC(=O)c1sc(-c2cccnc2)nc1C 22237493 LBGWMBQZJHHKQY-UHFFFAOYSA-N 337.448 4.637 0 40 EJAB C[C@H]([C@H](O)c1ccccc1)N(Cc1ccccc1)Cc1ccccc1 31923533 BOZCOAZLVQXGKP-XXBNENTESA-N 331.459 4.811 0 40 EJAB Cc1ccc(OCCC(=O)O[C@@H](C)c2cnc3ccccc3c2)cc1 64364832 SQYSUHDVKAVJSY-INIZCTEOSA-N 335.403 4.617 0 40 EJAB O=C(Nc1cccc(-n2cc[nH]c2=S)c1)C1(c2ccccc2)CCC1 65552579 DRRHNFMZDKSROB-UHFFFAOYSA-N 349.459 4.595 0 40 EJAB CC(C)Oc1cc(C(=O)N(C)Cc2cccs2)cc2occc12 71195353 HGYUJFIASPFAGS-UHFFFAOYSA-N 329.421 4.554 0 40 EJAB CC[C@@H](C)Nc1ccc([C@H]2CCCCN2C(=O)c2ccccc2)cn1 72213571 PQPUMGBUZNYLNW-VQIMIIECSA-N 337.467 4.659 0 40 EJAB Cc1ccc2nc(C3CC3)cc(C(=O)N(C)Cc3ccc(C)o3)c2c1 76094054 OUNAETHWBBKPPD-UHFFFAOYSA-N 334.419 4.594 0 40 EJAB Cc1nnc(CS[C@H](c2ccccc2)c2ccc(F)c(F)c2)o1 96467870 BFYUWLNTIBBRFK-QGZVFWFLSA-N 332.375 4.679 0 40 EJAB CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)/C=C/c1cccs1 97000066 SJFVMQPDMBEDSD-VUDPSUQNSA-N 325.477 4.946 0 40 EJAB CC(C)c1ccc(C2=C[C@H](c3ccc(F)cc3)n3ncnc3N2)cc1 102568315 KURCSJHFHPAARB-LJQANCHMSA-N 334.398 4.597 0 40 EJAB CC1=C[C@H](C)[C@H](CNCCNC[C@@H]2[C@@H](C)C=C(C)C[C@H]2C)[C@@H](C)C1 102673976 XPPZSKFTXPXUHK-KNPYFFGGSA-N 332.576 4.642 0 40 EJAB CSc1ccccc1C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 140181588 XLEXNKNGUDMFST-CQSZACIVSA-N 325.477 4.778 0 40 EJAB Cc1ccc2ccccc2c1[C@H](O)c1ccc(Br)cc1 160990322 HDSJCKLGGBXKGR-GOSISDBHSA-N 327.221 4.992 0 40 EJAB CC[C@@H](NC(=O)COc1cccc(C)c1)c1ccc2c(c1)CCCC2 223125716 UXWBTEJEQDFPEZ-OAQYLSRUSA-N 337.463 4.520 0 40 EJAB CC(C)(C)c1ccc(O[C@H](Cc2ccccc2Cl)C(=O)O)cc1 225056121 NUCOUCULFTUZJR-QGZVFWFLSA-N 332.827 4.712 0 40 EJAB O=C(O)[C@H](Cc1cccc(Cl)c1)Sc1ccc(Cl)cc1 225060107 DTMVWCGAAZWTBC-AWEZNQCLSA-N 327.232 4.781 0 40 EJAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCC)c2ncccc12 225887251 AQGFIDDQYFHQAX-FQEVSTJZSA-N 344.455 4.557 0 40 EJAB CCc1ccc2oc(-c3ccc[n+](Cc4ccc(F)cc4)c3)nc2c1 226308314 VGGKLRKIVZCVSP-UHFFFAOYSA-N 333.386 4.532 0 40 EJAB O=C(c1cccc(OCc2ccccc2)c1)C(Cl)(Cl)Cl 382682965 CLDBBOOQYODOIK-UHFFFAOYSA-N 329.610 4.819 0 40 EJAB CSc1ccc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)cc1 409107387 PHMCLUJBYXWHED-ZSOIEALJSA-N 335.350 4.920 0 40 EJAB Cc1cncc([C@@H](C)Nc2ccc(-c3cn4ccccc4n3)cc2)c1 546645522 GUDUCNPZHXDMFJ-MRXNPFEDSA-N 328.419 4.878 0 40 EJAB C[C@@H]1CCN(Cc2nc3ccccc3n2C(F)F)[C@@H]2CCCC[C@@H]12 613416696 XNISAHDRTYMJOE-IJEWVQPXSA-N 333.426 4.832 0 40 EJAB CC(C)c1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccccc2)cc1 1621999700 SZMOKJZVGSXIGQ-HXUWFJFHSA-N 343.492 4.726 0 40 EJAB CC[C@H]1CCCCN1CC(=O)Nc1ccccc1Oc1ccccc1 36360 ZJHLPDLPHAUBCH-KRWDZBQOSA-N 338.451 4.682 0 40 EJAB CCC(CC)C(=O)Nc1c2c(nn1-c1cc(C)cc(C)c1)CSC2 4176185 SRZYJNUNURKUJN-UHFFFAOYSA-N 343.496 4.611 0 40 EJAB Cc1ccc(-c2cnc(NCc3c(F)cccc3Cl)n2C)cc1 4678414 QQTRLGFVPIADFG-UHFFFAOYSA-N 329.806 4.800 0 40 EJAB CCCCC(=O)N(c1nnc(-c2ccc(Cl)cc2)s1)C(C)C 4982659 OTUWKDRKLVDANV-UHFFFAOYSA-N 337.876 4.790 0 40 EJAB C[C@@H](NC(=O)[C@H](Sc1ccccc1)c1ccccc1)c1ccncc1 5226841 HTJGOCORNUANPJ-OXQOHEQNSA-N 348.471 4.792 0 40 EJAB CCn1c(SCc2cccc(C)c2)nnc1-c1ccc(OC)cc1 5853712 PNCHLAGCCVMMOQ-UHFFFAOYSA-N 339.464 4.574 0 40 EJAB COc1ccc(CNC(=O)c2sccc2-c2ccc(C)cc2)cc1 8060853 CHTSPDKVLSCINE-UHFFFAOYSA-N 337.444 4.662 0 40 EJAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)c1 11637065 ZRKBJRCIEFICME-ZDUSSCGKSA-N 337.341 4.728 0 40 EJAB Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)NCCc1ccccc1 12274735 MULMYWDQAFRKPV-UHFFFAOYSA-N 339.822 4.881 0 40 EJAB O=C(Cc1ccccc1Cl)Nc1ccccc1N1CCCCC1 12608042 KQXQLYDBILLZBK-UHFFFAOYSA-N 328.843 4.512 0 40 EJAB Cc1nn(C(C)(C)C)c2nc(-c3ccncc3)cc(C(F)(F)F)c12 12843580 BELKXHGJLXXFPH-UHFFFAOYSA-N 334.345 4.576 0 40 EJAB Cc1ccc(SCCNC(=S)Nc2cccc(Cl)c2)cc1 18138945 OOEJLKLRPZQERD-UHFFFAOYSA-N 336.913 4.727 0 40 EJAB Cc1ccc(-c2cc(C(=O)Oc3ccc(Cl)cc3)no2)cc1C 20896679 AELOXCRDGSBGET-UHFFFAOYSA-N 327.767 4.831 0 40 EJAB CCOc1ccc(C(=O)Nc2ccc3nc(C)sc3c2)cc1C 22254881 VZCWZCCSPXFZKN-UHFFFAOYSA-N 326.421 4.564 0 40 EJAB CC[C@H](C)C(=O)NC[C@@H](c1cccs1)c1c[nH]c2ccccc12 24435362 HKKASRKKTLCNPJ-XJKSGUPXSA-N 326.465 4.524 0 40 EJAB C[C@H](Sc1ncnc2ccsc12)c1nc(-c2cccs2)no1 26118046 SOEJURBIZQPHOQ-QMMMGPOBSA-N 346.462 4.656 0 40 EJAB COc1ccc(-c2csc(NC(=O)c3c(C)oc(C)c3C)n2)cc1 28715919 IRVRYKCSBRZFQX-UHFFFAOYSA-N 342.420 4.589 0 40 EJAB Cc1cc(NC(=O)c2ccc(COc3ccc4ccccc4c3)o2)no1 32611641 SFEBSYHDDZEYFL-UHFFFAOYSA-N 348.358 4.561 0 40 EJAB CC(C)(C)c1ccc(SCc2nc3ccsc3c(=O)[nH]2)cc1 32724108 BCGCCASKNYHERF-UHFFFAOYSA-N 330.478 4.574 0 40 EJAB Cc1ccc(C(=O)[C@H](C)Sc2n[nH]c(/C=C/c3ccccc3)n2)cc1 32789377 MKLMBASMSAFUGY-VOMSXAGXSA-N 349.459 4.647 0 40 EJAB CC(=O)c1ccc(-c2ccc(C(=O)N[C@H]3CCc4ccccc43)o2)cc1 32843552 IQGBFWBXPUBTGX-IBGZPJMESA-N 345.398 4.567 0 40 EJAB CCOc1ccc(/C=C2/C(=O)N(C)c3ccccc32)c2ccccc12 33329149 QEGFSDOPXQKSCF-XMHGGMMESA-N 329.399 4.756 0 40 EJAB CCc1ccc(C(=O)Nc2cccc(Cl)c2N2CCCC2)cc1 33604339 MPRXSAFDWITRPM-UHFFFAOYSA-N 328.843 4.755 0 40 EJAB O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC[C@@H](C(F)(F)F)C1 40097888 GULJAAVVEWXRGZ-SNVBAGLBSA-N 340.267 4.512 0 40 EJAB Cc1ccn2cc(C(=O)Nc3ccc(Nc4ccccc4)cc3)nc2c1 45574336 MFXHPJJLEZASGE-UHFFFAOYSA-N 342.402 4.639 0 40 EJAB CCCOc1cc(C)ccc1NC(=O)NCCSC1CCCC1 58412942 VADTWWNMXPSAHO-UHFFFAOYSA-N 336.501 4.581 0 40 EJAB c1ccc(Cc2nc(COc3cccc4cccnc34)cs2)cc1 60452942 UWBQQLSOZIGPRC-UHFFFAOYSA-N 332.428 4.861 0 40 EJAB O=C(CCc1ccc2ccccc2c1)N1CCC[C@@H]1c1ccc(O)cc1 78714366 LPEZRTJBPKUSTN-JOCHJYFZSA-N 345.442 4.842 0 40 EJAB CN(Cc1nc2ccccc2n1C)C1CCC(c2ccccc2)CC1 84314011 XHXVLXGXYJFHHL-UHFFFAOYSA-N 333.479 4.732 0 40 EJAB CC(C)(C)N(Cc1cccc(F)c1)C(=O)[C@H]1CCOc2ccccc21 97141256 YFYUXCFEWCOSBO-SFHVURJKSA-N 341.426 4.519 0 40 EJAB Cc1ccsc1CNCc1ccc(Oc2ccc(F)cc2)nc1 97465597 OMXYXSBGZVUOEU-UHFFFAOYSA-N 328.412 4.673 0 40 EJAB Cc1ccc(C2=C[C@H](c3cccc(Cl)c3)n3ncnc3N2)cc1C 102047870 XBCIYAWXZBYXSS-GOSISDBHSA-N 336.826 4.604 0 40 EJAB CC1=C(C)C[C@H]2C(=O)N(c3ccc(Oc4ccccc4)cc3)C(=O)[C@@H]2C1 104732480 VWNRCICHKVIWDF-WOJBJXKFSA-N 347.414 4.715 0 40 EJAB CCCC[C@@H](CC)CNC(=O)[C@@H](CC)Oc1cccc(Cl)c1 224443864 YPIHHFKFXGCEGJ-RHSMWYFYSA-N 325.880 4.830 0 40 EJAB Cc1cccc(CN2CCC(C(=O)NC(C)(C)CC(C)(C)C)CC2)c1 224528276 ADQFVLTWAKNHIG-UHFFFAOYSA-N 344.543 4.538 0 40 EJAB O=C(CSCc1ccc(Cl)cc1F)Nc1ccc(F)cc1F 225181766 XSQPLEQVTUINER-UHFFFAOYSA-N 345.773 4.629 0 40 EJAB Cc1ccc(CN(C)C(=O)CCc2ccc(Cl)cc2Cl)cc1 225375041 XQCXTFWAASONQK-UHFFFAOYSA-N 336.262 4.893 0 40 EJAB CCCCOc1ccc(NC(=O)C2(OC)CCCCCC2)cc1C 225631973 KQKTYFWOWYBBAS-UHFFFAOYSA-N 333.472 4.852 0 40 EJAB CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(=O)CC[C@@H]4[C@H]3CC[C@@]2(C)C1 245239763 MBXPDDMFPRWSTF-JMOBLLKWSA-N 346.511 4.920 0 40 EJAB Cc1ccc(Nc2nnc(S[C@@H](C)c3ccncc3)s2)cc1 605076146 LPBOOBURTOAVNK-LBPRGKRZSA-N 328.466 4.838 0 40 EJAB COc1cccc(C)c1NC(=O)N1CCC[C@@H]1c1c(C)cccc1C 822975729 JTHPLMZIGYLULM-QGZVFWFLSA-N 338.451 4.989 0 40 EJAB O=C1c2ccccc2N[C@@H](c2ccncc2)N1c1ccccc1Cl 34988 WREREZOJTWGLBN-GOSISDBHSA-N 335.794 4.506 0 40 EJAB O=C(Nc1nc2ccc(Cl)cc2s1)[C@@H]1C[C@H]1c1ccccc1 999391 OXNAXRHJNUMJHJ-QWHCGFSZSA-N 328.824 4.692 0 40 EJAB CCN(CC)CCCNc1c2c(nc3c(Cl)cccc13)CCCC2 1677545 CAWAATSLZQGGGX-UHFFFAOYSA-N 345.918 4.911 0 40 EJAB CCCCCCc1c(C)c2ccc(O[C@H](C)C(C)=O)c(C)c2oc1=O 2119171 ZFDUTRJBZBAOEO-MRXNPFEDSA-N 344.451 4.889 0 40 EJAB biogenic O=C(COC(=O)c1cccc2ccccc12)c1cc2ccccc2o1 3229243 PHAZFFJXVGUUBT-UHFFFAOYSA-N 330.339 4.626 0 40 EJAB CN1CCN(c2nc(-c3ccc(C4CCCCC4)cc3)cs2)CC1 3449209 WMAKOJDYSMMSOJ-UHFFFAOYSA-N 341.524 4.610 0 40 EJAB C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]21CCC(=O)O1 4026125 UWBICEKKOYXZRG-HTCYUXSBSA-N 342.479 4.594 0 40 EJAB biogenic CCCSc1nc(-c2cccc(OC)c2)nc2c1COC(C)(C)C2 5325095 DYWBUQJYLGNVOC-UHFFFAOYSA-N 344.480 4.506 0 40 EJAB O=C(CSCc1ccccc1)Nc1ccc(N2CCCCC2)cc1 6249103 IJADHARKFHEFGC-UHFFFAOYSA-N 340.492 4.549 0 40 EJAB CN(C)[C@@H]1CCc2c(ccc3ccccc23)[C@H]1OC(=O)c1ccccc1 6437242 MABOKCQFSCINST-FGZHOGPDSA-N 345.442 4.614 0 40 EJAB O=C(CCC(=O)c1cccs1)Nc1ccc(Cl)c(Cl)c1 6528197 VTBHDPMCCCYPOV-UHFFFAOYSA-N 328.220 4.657 0 40 EJAB CCc1cccc(CC)c1NC(=O)CNc1cccc(Cl)c1C 7972247 ICYRUVHMPMZQDY-UHFFFAOYSA-N 330.859 4.824 0 40 EJAB O=C(COc1ccccc1)Nc1ccc2nc(-c3ccccc3)oc2c1 8190248 AXPDFGPOWKRTPT-UHFFFAOYSA-N 344.370 4.512 0 40 EJAB Cc1ccc(OC(=O)c2cc(-c3ccc(Cl)cc3)on2)c(C)c1 8673987 XHYGTZSCWKFQMZ-UHFFFAOYSA-N 327.767 4.831 0 40 EJAB O=C(Nc1ccc(Cl)cc1)N(C1=NCCC1)c1cccc(F)c1 10165975 ULUBIWRRWFZEDU-UHFFFAOYSA-N 331.778 4.710 0 40 EJAB CCN(C(=S)Nc1ccc(OC(F)F)cc1)C1CCCCC1 13683936 CMCHQEWVBRLPGJ-UHFFFAOYSA-N 328.428 4.639 0 40 EJAB CCOCc1cc(C(=O)Nc2ccc(C(C)(C)C)cc2)ccc1OC 14180365 YNTLLOCFJXSNFJ-UHFFFAOYSA-N 341.451 4.782 0 40 EJAB Cc1ccc(OC(=O)Cc2csc(-c3ccsc3)n2)c(C)c1 19358266 YZWKTZHURYSCAB-UHFFFAOYSA-N 329.446 4.637 0 40 EJAB CCCn1nc(C)c(-c2cncn2[C@@H](CC)c2ccc(F)cc2)c1C 19654543 AIOAHZMKKHOVFI-SFHVURJKSA-N 340.446 4.912 0 40 EJAB O=C(CSc1ncnc2ccsc12)C12CC3CC(CC(C3)C1)C2 22004607 GHFWUDJNZIJFEG-UHFFFAOYSA-N 344.505 4.569 0 40 EJAB CN(Cc1ccccc1F)C(=O)Nc1ccc(Cl)c(Cl)c1 24535468 KNZNAHPUDWWQQJ-UHFFFAOYSA-N 327.186 4.796 0 40 EJAB Cc1ccc(C(=O)N[C@H](c2ccccc2)c2ccc(C)c(C)c2)cn1 25032709 QQWMBIGGUJHXOA-OAQYLSRUSA-N 330.431 4.526 0 40 EJAB Cc1nc(CC(=O)N[C@H](c2ccc(C(C)(C)C)cc2)C(C)C)cs1 26795362 HDZTXODGMWGNFJ-IBGZPJMESA-N 344.524 4.805 0 40 EJAB O=C(Nc1cc(-c2ccccc2)no1)c1ccc(Cl)cc1Cl 27664398 CIPNTJOFFQSPQZ-UHFFFAOYSA-N 333.174 4.901 0 40 EJAB CC(=O)Nc1ccc(OC(=O)c2ccccc2-c2ccccc2)cc1 32426496 WCGNZDZQDNRPCV-UHFFFAOYSA-N 331.371 4.531 0 40 EJAB CC(C)c1nc2cc(NC(=O)c3ccc4ncsc4c3)ccc2o1 33216488 BNFXUPCSYVQTQA-UHFFFAOYSA-N 337.404 4.813 0 40 EJAB C[C@@H]1CCCC[C@@H]1NC(=O)Cc1csc(-c2cccc(Cl)c2)n1 36779208 BLYSIBHXMVGQDJ-WBMJQRKESA-N 348.899 4.701 0 40 EJAB Cc1ccc(C(C)C)c(OCCCn2c(C=O)nc3ccccc32)c1 41058289 LUABFWUYSOKSIR-UHFFFAOYSA-N 336.435 4.750 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)cc1 44848514 NEYDLHQASFYLTO-MSOLQXFVSA-N 325.452 4.565 0 40 EJAB CCSc1ccccc1NC(=O)[C@H](CC)Oc1ccc(F)cc1 44900500 RZTYJORUKCFXPI-INIZCTEOSA-N 333.428 4.734 0 40 EJAB CC(=O)c1sc(N2N=C3CCCC[C@H]3[C@@H]2c2ccccc2)nc1C 51330444 DXUVNKYHCBBCPO-WBVHZDCISA-N 339.464 4.762 0 40 EJAB FC(F)Oc1ccccc1CN[C@H](c1ccccc1)c1ccccn1 70037945 BSBJMMDUIAHWQU-LJQANCHMSA-N 340.373 4.562 0 40 EJAB Cc1ccc(Cc2cccc([C@H]3CCCN3Cc3ccncc3)n2)cc1 72357664 ZGTMWPAFCHLTNS-HSZRJFAPSA-N 343.474 4.713 0 40 EJAB O=C(C1CCCC1)N1CCC[C@@H]1c1cccc(Cc2ccccc2)n1 72357997 CLAJVGIYTZFUAO-OAQYLSRUSA-N 334.463 4.526 0 40 EJAB CCCCC[C@@H](CCCP(=O)(OC)OC)O[C@@H]1CCCCO1 77922621 WEJXBWLOAWUGSA-JKSUJKDBSA-N 336.409 4.745 0 40 EJAB O=C(Nc1ccc(F)cc1F)N1C[C@H]2CCCC[C@]21c1ccccc1 84525237 LYCVMSUSPKJXLG-QRWLVFNGSA-N 342.389 4.898 0 40 EJAB C[C@H](NC(=S)N[C@@H]1CCc2c(Cl)cccc21)c1ccccc1 84656652 MAXCKAIDTGZYAL-YVEFUNNKSA-N 330.884 4.553 0 40 EJAB C[C@@H](NCC(C)(C)c1ccccc1Br)c1nccs1 90590778 NDFQBNIOFKLGCM-LLVKDONJSA-N 339.302 4.534 0 40 EJAB COc1ccccc1[C@H](C)N(C)C(=O)[C@@H](C)c1ccc(Cl)s1 95964093 QIXFDTLMTNBCRE-RYUDHWBXSA-N 337.872 4.733 0 40 EJAB CCOc1ccc(C(=O)NCCCc2ccc(C(C)C)cc2)cc1 219959339 YDGFIKBMTWDOAF-UHFFFAOYSA-N 325.452 4.571 0 40 EJAB Cc1ccc(OCCNC(=O)CCc2ccc(C(C)C)cc2)cc1C 224597841 MFSRISADWDDALQ-UHFFFAOYSA-N 339.479 4.555 0 40 EJAB CCc1cccc(CC)c1NC(=O)COc1cccc2c1CCCC2 224737801 DEGGXLXQJYPTTP-UHFFFAOYSA-N 337.463 4.708 0 40 EJAB O=C(CCc1ccc(Cl)c(Cl)c1)Nc1ccc(F)c(F)c1 225329059 MZBMJUKGANCAKM-UHFFFAOYSA-N 330.161 4.843 0 40 EJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N1c2ccccc2C[C@@H]1C 225488166 NBJDIXGVDXSWAI-AOMKIAJQSA-N 349.474 4.701 0 40 EJAB COc1ccc(C2(NC(=S)Nc3ccc(C)cc3)CCCC2)cc1 225841151 JKJBJHJCQPGIKP-UHFFFAOYSA-N 340.492 4.760 0 40 EJAB Fc1ccc(COc2cccc(N[C@H]3CCC34CCOCC4)c2)cc1 548859157 IFSLDJIAKOGHRO-FQEVSTJZSA-N 341.426 4.776 0 40 EJAB C[C@H]1CC(=O)N(C)c2ccc(N[C@H](C)c3ccc(F)c(F)c3)cc21 629269872 BMCHGFZUVHWHJD-NWDGAFQWSA-N 330.378 4.608 0 40 EJAB O=C(Nc1cccc2ccccc12)c1cc(F)c(Cl)nc1Cl 385090 MUEXUQSYKDWDIL-UHFFFAOYSA-N 335.165 4.933 0 40 EJAB O=c1nc2n(c3sc4c(c13)CCCC4)Cc1ccc3ccccc3c1-2 496090 BFMLZNOHNDSREW-UHFFFAOYSA-N 344.439 4.519 0 40 EJAB CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 1683144 ILCTUFVQFCIIDS-UWSHXLKQSA-N 332.484 4.530 0 40 EJAB CN(C)c1ccc(NC(=O)/C(=C/c2ccccc2)c2ccccc2)cc1 2749250 UWZAHVDFIAGETB-OQKWZONESA-N 342.442 4.932 0 40 EJAB O=C(Nc1c(C(=O)c2ccccc2)oc2ccccc12)c1ccco1 3655319 JTIFMUBYUGVEPI-UHFFFAOYSA-N 331.327 4.509 0 40 EJAB CCc1ccc(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 5471154 NCBWXVNXNLESRE-OAHLLOKOSA-N 325.452 4.953 0 40 EJAB O[C@]12c3ccccc3[C@]1(c1ccc(Cl)cc1)c1ccc(Cl)cc12 5699182 NUAOHEWMGXLJDG-UXHICEINSA-N 339.221 4.891 0 40 EJAB c1ccc(-c2cn3c(n2)SCC(c2cc4ccccc4o2)=N3)cc1 6567061 PSYWOKLDOUYVBW-UHFFFAOYSA-N 331.400 4.654 0 40 EJAB CCOc1ccc2oc(C(=O)N3CCC[C@@H]4CCCC[C@@H]43)c(C)c2c1 9536011 ZWRWLGWDGKOTEK-YJBOKZPZSA-N 341.451 4.935 0 40 EJAB Cc1cccc([C@H]2CC(=O)c3cnc(Nc4ccc(F)cc4)nc3C2)c1 10156653 SITAELLYPLOUJB-OAHLLOKOSA-N 347.393 4.580 0 40 EJAB Cc1c(C(=O)N[C@@H](C)c2cccnc2)oc2c1ccc1ccccc12 12534026 ZFMYYWAXXAFVJD-AWEZNQCLSA-N 330.387 4.780 0 40 EJAB Cn1c(SC(c2ccccc2)c2ccccc2)nnc1C(F)(F)F 12747603 GNAZXRJQQMLIDB-UHFFFAOYSA-N 349.381 4.716 0 40 EJAB COc1ccccc1CN(C)Cc1cc(-c2ccc(Cl)cc2)no1 12768627 XXVCAKLEQKODFR-UHFFFAOYSA-N 342.826 4.636 0 40 EJAB CSC(=S)c1nc2ccccc2nc1-c1ccc(Cl)cc1 16248605 WKKLWTYIVBJCHX-UHFFFAOYSA-N 330.865 4.989 0 40 EJAB Cc1ccc(C)c(O[C@@H](C)C(=O)N[C@H](CC(C)C)c2ccccc2)c1 20108265 PRGLFZBRJBSBMU-AZUAARDMSA-N 339.479 4.974 0 40 EJAB Cc1ccc(-c2nnc(S[C@@H](C)c3nc(C(C)C)no3)o2)cc1C 27773076 XJDQAYYSVWMGGN-LBPRGKRZSA-N 344.440 4.713 0 40 EJAB CC(=O)N(CC[C@@H](c1ccco1)C(C)(C)C)[C@@H]1CCOC(C)(C)C1 32096875 XMLBGUYFJDHQGR-SJORKVTESA-N 335.488 4.606 0 40 EJAB OC1=Nc2c(ncn2-c2ccc(F)c(Cl)c2)[C@H](c2ccsc2)C1 36353641 PDEFGXJEFJIIDC-NSHDSACASA-N 347.802 4.850 0 40 EJAB CCCc1noc2nc(C3CC3)cc(C(=O)N(CC)c3ccccc3)c12 40122165 URENNNSSAQSBER-UHFFFAOYSA-N 349.434 4.719 0 40 EJAB CN(C(=O)c1cc(Br)ccc1Cl)c1ccccc1F 50009496 MCLPBDVITHRNJT-UHFFFAOYSA-N 342.595 4.518 0 40 EJAB CC(C)c1noc([C@@H](C)N2Cc3ccccc3-c3ccccc3C2)n1 60361404 WXWXZRROWURZIM-OAHLLOKOSA-N 333.435 4.937 0 40 EJAB Cc1cc(F)ccc1NC(=S)Nc1cccc(CN2CCCC2)c1 71761143 PYJZYQWPFZCYFQ-UHFFFAOYSA-N 343.471 4.539 0 40 EJAB Cc1cc([C@H](N)c2ccccc2)cnc1N1CCCc2ccccc21 72222882 SJDPXHKXRVZXMW-OAQYLSRUSA-N 329.447 4.522 0 40 EJAB C[C@H](Cc1ccccc1F)NC(=O)c1cc(C2CC2)nc2ccccc12 84640790 YPJPQKRAMHBNJO-CQSZACIVSA-N 348.421 4.612 0 40 EJAB C[C@H](c1ccc2ccccc2c1)N(Cc1ncc(Cl)n1C)C1CC1 84651807 YJAWTYOLPAUZHM-CQSZACIVSA-N 339.870 4.952 0 40 EJAB CC(C)N[P@@](=O)(O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C)c1ccccc1 169682723 ADULCGJWFWMRGU-FAODYONGSA-N 337.444 4.980 0 40 EJAB COc1ccc2nc(Nc3ccc(OC(F)(F)F)cc3)sc2c1 199721965 QCCRPGXTJUAUHK-UHFFFAOYSA-N 340.326 4.947 0 40 EJAB CC[C@H](NC(=O)[C@H](C)Oc1cc(C)ccc1C)c1ccc(C)c(C)c1 219073916 HROMRLLVVNNENC-ICSRJNTNSA-N 339.479 4.955 0 40 EJAB CCOc1ccc(C(=O)Nc2ccccc2)cc1COc1ccccc1 224360584 ZTCTWCKFZZCULU-UHFFFAOYSA-N 347.414 4.917 0 40 EJAB CCCOCc1cc(C(=O)Nc2ccc(C)cc2C)ccc1OCC 224704312 MOEYWXUBEQEVFC-UHFFFAOYSA-N 341.451 4.881 0 40 EJAB CCc1ccc([C@H](C)NC(=O)COc2ccccc2C(C)(C)C)cc1 225650679 JGKRXMSNCQVTKY-INIZCTEOSA-N 339.479 4.803 0 40 EJAB S=C(NCCc1ccccc1)c1ccc(OCc2ccccc2)cc1 408573886 PYIPHSHWHUQXHH-UHFFFAOYSA-N 347.483 4.773 0 40 EJAB CCCc1sc(NC(=O)c2ccncc2)nc1-c1ccc(C)cc1 408834290 LJGGEQJLABIOAV-UHFFFAOYSA-N 337.448 4.718 0 40 EJAB O=C1S/C(=C/c2ccc(Cl)cc2)C(=O)N1CC1CCCCC1 409127272 CETUIHFPHDVDNJ-XNTDXEJSSA-N 335.856 4.957 0 40 EJAB O=C(NCC1(c2ccsc2)CC1)c1ccc(-c2ccsc2)cc1 1889274357 KDSHSTWCSCMUKH-UHFFFAOYSA-N 339.485 4.938 0 40 EJAB O=C(Nc1cc(Cl)ccc1Cl)c1noc2c1CCCCC2 426555 KOEPUVBPGYPDAT-UHFFFAOYSA-N 325.195 4.503 0 40 EJAB Cc1cccc(Nc2ncnc3c2cnn3-c2ccc(Cl)cc2)c1 529438 WXCCYGGDTQAODI-UHFFFAOYSA-N 335.798 4.521 0 40 EJAB CCN(CC)c1nc(SCc2ccccc2)nc2ccsc12 1398461 KMABGSGDCRBFEA-UHFFFAOYSA-N 329.494 4.830 0 40 EJAB C[C@@]1(c2ccc(NC(=O)c3ccccc3F)cc2)CC1(Cl)Cl 1443536 SGMFJXKDCPGPCN-INIZCTEOSA-N 338.209 4.913 0 40 EJAB O=C1c2ccccc2[C@@H](c2c[nH]c3ccccc23)N1Cc1ccco1 4778864 NFKGPYXYCXUPOZ-FQEVSTJZSA-N 328.371 4.506 0 40 EJAB Cc1ccc(C(C)C)cc1OCCCCCCNC[C@H]1CCCO1 5856625 GNRNPSDLQZAUIU-HXUWFJFHSA-N 333.516 4.826 0 40 EJAB Cc1cccc(CSCCNC(=O)Nc2cccc(Cl)c2)c1 6302357 GYSQXIMFJFKJFF-UHFFFAOYSA-N 334.872 4.703 0 40 EJAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)cc1C 6439028 MSYYUWIGBSNGQV-ZDUSSCGKSA-N 337.341 4.728 0 40 EJAB CC[C@H]1CCc2sc(C(=O)Nc3ccnn3C3CCCC3)cc2C1 7714076 GKAIRWITEYYWOF-ZDUSSCGKSA-N 343.496 4.827 0 40 EJAB Cc1occc1C(=O)OCc1csc(-c2ccc(Cl)cc2)n1 7850584 DKCJYBQBGQJIBV-UHFFFAOYSA-N 333.796 4.722 0 40 EJAB Cc1c(C(=O)c2ccccc2)oc2cc(NC(=O)c3ccco3)ccc12 9420080 QYBQBAHZJHPRMG-UHFFFAOYSA-N 345.354 4.818 0 40 EJAB CCn1c(SCc2cccc3ccccc23)nnc1-c1cccnc1 9594940 WXMWWRZGYJEEHH-UHFFFAOYSA-N 346.459 4.806 0 40 EJAB CC(C)c1ccc(CCC(=O)NCCSc2ccccc2)cc1 10363723 VKEJYKWWOOAQGZ-UHFFFAOYSA-N 327.493 4.651 0 40 EJAB Cc1ccc(CCCNC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1 13669176 CEUBITYOHVJQEO-OAHLLOKOSA-N 347.911 4.878 0 40 EJAB CCn1c(SCc2cccc3ccccc23)nnc1-c1ccncc1 16755474 OQRIDHDHQFPHJC-UHFFFAOYSA-N 346.459 4.806 0 40 EJAB CC(C)CCOc1ccccc1C(=O)Nc1ccc(Cl)c(N)c1 19736514 CUYWFLUDKXYDAB-UHFFFAOYSA-N 332.831 4.599 0 40 EJAB Cc1oc(-c2ccc(Cl)cc2)nc1COc1ccc(C=O)cc1 22130228 AGDOKSAJCOAQRD-UHFFFAOYSA-N 327.767 4.695 0 40 EJAB O=C(CCCc1cccs1)Nc1ccccc1N1CCCCC1 22403298 PIUWRWCSODMKKQ-UHFFFAOYSA-N 328.481 4.700 0 40 EJAB Cc1ccc(-c2nnc(CN[C@H](C)c3ccc(Cl)cc3)o2)cc1 25919882 ZMAYAZBZVFIIKD-CYBMUJFWSA-N 327.815 4.549 0 40 EJAB CCN1C(=O)c2ccccc2N[C@H]1c1ccc(-c2ccc(F)cc2)o1 30542781 MMGDGTHJQZDINH-LJQANCHMSA-N 336.366 4.672 0 40 EJAB CC(C)c1ccc(CN[C@H](c2ccc(F)cc2)c2nccn2C)cc1 30644499 UANACAUASAAJSX-HXUWFJFHSA-N 337.442 4.562 0 40 EJAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccccc1OC 30869099 XQLDZOUEMZUIKU-KRWDZBQOSA-N 349.883 4.536 0 40 EJAB O=c1[nH]c(SCc2c(Cl)cccc2Cl)nc2sccc12 32330187 JVDPVGOSKRHNGY-UHFFFAOYSA-N 343.260 4.584 0 40 EJAB Fc1ccc(-c2nnc(SCc3ccccc3)n2C2CC2)cc1 32604134 DVJADSANECTZJT-UHFFFAOYSA-N 325.412 4.711 0 40 EJAB CN(Cc1cccc(F)c1)C(=O)Nc1ccccc1C(F)(F)F 40096010 KKVMVFDXPOTANB-UHFFFAOYSA-N 326.293 4.508 0 40 EJAB Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccccc1N1CCCC1 45936424 GXSDRSUEWCIAEH-UHFFFAOYSA-N 347.418 4.503 0 40 EJAB CCN(C(=O)Nc1ccc(C)c(NC(=O)N(CC)C(C)C)c1)C(C)C 58162467 GGKFMOZGQBRDPT-UHFFFAOYSA-N 348.491 4.519 0 40 EJAB CCCCSc1nnc(-c2ccccc2)n1-c1ccc(OC)cc1 75338663 NRQQUXUQKIMLTL-UHFFFAOYSA-N 339.464 4.835 0 40 EJAB O=C(NCC(c1ccccc1)c1ccccc1)c1ccc2cc[nH]c2c1 84522501 FXLSPFNBTJMZIW-UHFFFAOYSA-N 340.426 4.730 0 40 EJAB Cc1ccc(C23C[C@@H]4C[C@H](CC(C(=O)CNC(C)(C)C)(C4)C2)C3)cc1 100809963 ZDZWYBQALASASL-FFACFXHASA-N 339.523 4.790 0 40 EJAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCc1ccc2ccccc2c1 222816163 BCUNRRVFKQGTFU-QFIPXVFZSA-N 347.458 4.930 0 40 EJAB CC(C)Oc1ccccc1C(=O)Nc1ccc(N2CCCCC2)cc1 224970076 RFDIQMZPQNHUKV-UHFFFAOYSA-N 338.451 4.716 0 40 EJAB O=C(CCc1ccc(Cl)cc1Cl)NCCSC1CCCC1 225381994 BHJVFYKLCDKWDY-UHFFFAOYSA-N 346.323 4.718 0 40 EJAB O=C([C@H]1CCCC(F)(F)C1)N(Cc1cccnc1)c1ccc(F)cc1 252502227 UNTORGUVGBXOBB-HNNXBMFYSA-N 348.368 4.579 0 40 EJAB O=C(Nc1ccc(C(F)(F)F)cc1)N1CC[C@@H](c2ccsc2)C1 888107096 LQQYAHJBCNXUGS-LLVKDONJSA-N 340.370 4.788 0 40 EJAB Cc1ccc2cc(C(=O)N[C@H](C)c3cccc(C(F)(F)F)c3)[nH]c2c1 1538495050 HYAIMACAJPSKMI-GFCCVEGCSA-N 346.352 4.986 0 40 EJAB CCOc1ccc(-c2cc3cc(OC)c(OC)cc3c(CC)n2)cc1 485541 GAAZOWIJAFCRHD-UHFFFAOYSA-N 337.419 4.880 0 40 EJAB biogenic CC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1OCc1ccccc1 1398681 UBLIEJZLCMBRSD-INIZCTEOSA-N 339.218 4.585 0 40 EJAB CCN(CC)C[C@H](C)[C@@](O)(Cc1ccccc1)c1ccc(Cl)cc1 1698638 RUSRLRVPPPZXLK-UWJYYQICSA-N 345.914 4.748 0 40 EJAB CSc1nc2ccc(NC(=O)/C=C/c3cccs3)cc2s1 3247699 QEMIEYLGSJRAQN-FNORWQNLSA-N 332.475 4.732 0 40 EJAB O=C(OCc1ccco1)c1ccc(-c2nc3ccccc3s2)s1 3299577 DFAAXUIGTDZJQA-UHFFFAOYSA-N 341.413 4.975 0 40 EJAB O=C(c1ccccc1)N1C[C@@H](c2ccccc2)C=C1c1ccccc1 3846227 PFQLDHTUHBCQLN-NRFANRHFSA-N 325.411 4.967 0 40 EJAB biogenic CC(C)C1=CC2=CC[C@H]3[C@@](C)(CN)CCC[C@]3(C)[C@@H]2C[C@@H]1CCN 5022262 NMPPZQLCNJPHMH-GVJIXFOXSA-N 330.560 4.655 0 40 EJAB Cc1cccc(C(C)C)c1NC(=O)CNCCc1ccc(Cl)cc1 6787909 XEHLBMWUFBXMTO-UHFFFAOYSA-N 344.886 4.543 0 40 EJAB C[C@@H](C(=O)Nc1ccc(Cl)cc1)N1CCC[C@@H]1c1cccs1 8320217 BGOONDJWFCOMKF-SWLSCSKDSA-N 334.872 4.566 0 40 EJAB CCCCOc1cccc(C(=O)Nc2cccc3ccc(C)nc23)c1 8587522 ZBSIMXQWEKFHGE-UHFFFAOYSA-N 334.419 4.974 0 40 EJAB Cc1c(C(=O)c2ccccc2)oc2ccc(NC(=O)c3ccco3)cc12 9419609 KZSNBDWQUWBAIC-UHFFFAOYSA-N 345.354 4.818 0 40 EJAB COc1ccccc1CNC(=O)N[C@@H](c1ccc(Cl)cc1)C(C)C 9710883 BCKDJYBLZBCQRC-GOSISDBHSA-N 346.858 4.545 0 40 EJAB CCCCCNC(=O)c1ccc(-c2nnc(-c3ccccc3C)o2)cc1 14201138 QKZJQGCFGMUGDZ-UHFFFAOYSA-N 349.434 4.632 0 40 EJAB COc1ccc(S[C@H](C)C(=O)Nc2ccccc2SC)cc1 15519683 PNRTWYPNEZNVKZ-GFCCVEGCSA-N 333.478 4.536 0 40 EJAB Cc1sc2c(c1-c1ccc(F)cc1)c(=O)nc1n2Cc2ccccc2-1 36611893 BZELEHXDUYBWDU-UHFFFAOYSA-N 348.402 4.601 0 40 EJAB Cc1csc(SCCC(=O)Nc2c(Cl)cccc2Cl)n1 40025053 RSITWBBXCNYUAH-UHFFFAOYSA-N 347.292 4.879 0 40 EJAB Cc1ccc(CNc2nc(N3CCCCC3)c3ccccc3n2)cc1 41148758 RMOOESKIMMQJHQ-UHFFFAOYSA-N 332.451 4.541 0 40 EJAB CC(C)Oc1ccc(CNC(=O)CSc2ccc(Cl)cc2)cc1 44948049 URFBINLUCZSYEK-UHFFFAOYSA-N 349.883 4.536 0 40 EJAB CSc1ccc(Cl)c(C(=O)N(Cc2cccnc2)C(C)C)c1 60102524 ZQQVDLXWHMYCON-UHFFFAOYSA-N 334.872 4.508 0 40 EJAB O=C(/C=C/c1nc2ccccc2o1)Nc1ccc(-c2ccccc2)cn1 70020123 NKPKEWGRWWQLAY-OUKQBFOZSA-N 341.370 4.542 0 40 EJAB C[C@H](Sc1ccccc1Cl)C(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 105546245 OKZFARHJYYALPG-YTFOTSKYSA-N 337.916 4.762 0 40 EJAB CC(C)(C)[Si](Nc1ccccc1)(c1ccccc1)c1ccccc1 195517262 AIKSMMLNGGYBNN-UHFFFAOYSA-N 331.535 4.659 0 40 EJAB CC[C@@H](NC(=O)[C@H](C)Oc1cccc(Cl)c1)c1ccc(C)cc1C 219292847 QRLMJCOSQPVCCV-HNAYVOBHSA-N 345.870 4.992 0 40 EJAB CCCOc1ccccc1CCCNC(=O)Nc1cccc(Cl)c1 222631047 IOFPXJPEUJRUPJ-UHFFFAOYSA-N 346.858 4.883 0 40 EJAB Cc1cc(C)cc(O[C@@H](C)C(=O)NCc2cccc3ccccc23)c1 222877472 BTNJJQDJNVHQTM-KRWDZBQOSA-N 333.431 4.540 0 40 EJAB CCc1cccc(C)c1NC(=O)[C@@H](CC)Oc1ccc(C)cc1C 222956011 HLGGERJNXGAZPW-GOSISDBHSA-N 325.452 4.970 0 40 EJAB Cc1c(Cl)cnc(NC(=S)N[C@@H](C)c2ccccc2)c1Cl 223955634 ICYCPUIRIQIDGG-JTQLQIEISA-N 340.279 4.744 0 40 EJAB CCO[C@@](C)(CC)C(=O)Nc1ccc(OCc2ccccc2)c(C)c1 225686267 NFRHLJIOVNANAK-NRFANRHFSA-N 341.451 4.718 0 40 EJAB CCOc1ccc(C(=O)NCCSC2CCCCC2)cc1Cl 225882740 UKMNQZUKHQUOSL-UHFFFAOYSA-N 341.904 4.534 0 40 EJAB Cc1ccc(-c2ccc(C(=O)Nc3cc(N)ccc3F)o2)cc1Cl 226763700 XIIXGSFMRFDZHH-UHFFFAOYSA-N 344.773 4.882 0 40 EJAB Cc1cc(C)cc(CSCC(=O)N[C@H](C)CCc2ccccc2)c1 408576072 RFCPGIYFKPEQOH-GOSISDBHSA-N 341.520 4.674 0 40 EJAB S=C(Nc1ccc2snnc2c1)Nc1cccc2ccccc12 408998040 HTOVNOJZIHGDPZ-UHFFFAOYSA-N 336.445 4.653 0 40 EJAB Cc1cc(C)c(OCC(=O)Nc2ccc(Cl)cc2Cl)c(C)c1 43925 UBGJJWFXFKKOSJ-UHFFFAOYSA-N 338.234 4.936 0 40 EJAB CC[C@@H](C)c1ccccc1NS(=O)(=O)c1cccc2cccnc12 205267 KMDWWRICFITKHP-CQSZACIVSA-N 340.448 4.549 0 40 EJAB CCOc1ccc2nc(NC(=O)[C@H](CC)c3ccccc3)sc2c1 364502 ODDUFEJMIDEAMP-OAHLLOKOSA-N 340.448 4.827 0 40 EJAB Cc1n[nH]c2nc3ccc(Br)cc3c(-c3ccccc3)c12 402613 RVPUHWWCTUSTMZ-UHFFFAOYSA-N 338.208 4.849 0 40 EJAB COc1ccc(-c2cnc(OC(C)(C)C)nc2OC(C)(C)C)cc1 481006 VHYIADNSGBIZJU-UHFFFAOYSA-N 330.428 4.507 0 40 EJAB Clc1ncnc2scc(-c3ccc(Br)cc3)c12 533996 TYMAQOZPKMPEEI-UHFFFAOYSA-N 325.618 4.774 0 40 EJAB Clc1ccc([C@H]2CC(c3ccc(Br)cc3)=NO2)cc1 545248 JDCIEBBDAPRBOG-OAHLLOKOSA-N 336.616 4.968 0 40 EJAB Cc1nc2c(-c3ccccc3)c(C)nn2c2c1CCN2C1CCCCC1 5206536 PKKFCACEIZYZGY-UHFFFAOYSA-N 346.478 4.708 0 40 EJAB Cc1ccc(-c2c(C)[n+]([O-])c(-c3ccc(Cl)cc3Cl)n2O)cc1 5617865 VMYSDEFXEVLGRM-UHFFFAOYSA-N 349.217 4.616 0 40 EJAB O=C(N[C@@H]1CCCC[C@H]1Cc1ccco1)C12CC3CC(CC(C3)C1)C2 5945233 YZNHXAKNDQHQQV-RNXRXSQASA-N 341.495 4.714 0 40 EJAB Cc1occc1-c1nnc(S[C@H](C)C(=O)c2ccc(Cl)cc2)o1 7426905 YXZVFAYEUCYNOE-SNVBAGLBSA-N 348.811 4.655 0 40 EJAB Cc1cc(C)cc(NC(=O)COc2ccc(Cl)c3cccnc23)c1 7612358 AWKSSDODWFVHHO-UHFFFAOYSA-N 340.810 4.523 0 40 EJAB C[C@H](NC(=O)c1ccc(C2SCCCS2)cc1)c1ccco1 8360376 PAZBBPCSLHQEGO-LBPRGKRZSA-N 333.478 4.639 0 40 EJAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccccc2OC(C)C)c1 10683939 HAKXGAIZMWIRKZ-UHFFFAOYSA-N 341.451 4.923 0 40 EJAB Cc1sc2nc([C@@H](C)Nc3cccc(C(C)C)c3)[nH]c(=O)c2c1C 12562278 PILWNJGOXLYWMA-GFCCVEGCSA-N 341.480 4.898 0 40 EJAB C[C@@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)c1nc2ccccc2[nH]1 12681340 RMCXOBDDGIQNJY-SECBINFHSA-N 349.221 4.752 0 40 EJAB O=C(CCc1ncc(-c2ccccc2)o1)N1CCC[C@@H]1c1ccccc1 12778320 JJUREDSPPRHVQV-LJQANCHMSA-N 346.430 4.638 0 40 EJAB C[C@@H](NC(=O)CCSCc1cccc(Cl)c1)c1ccccc1 12913338 VRKINVRTRRJMNC-CQSZACIVSA-N 333.884 4.841 0 40 EJAB CCc1ccc(NC(=O)[C@H](C)Nc2cc(C)c(Cl)cc2OC)cc1 13069870 UEPVXHWOSLVENT-ZDUSSCGKSA-N 346.858 4.659 0 40 EJAB Cc1ccc(-n2c(-c3ccccc3)cs/c2=N\C(=O)C(C)C)cc1 13162966 HPUNOYXQGBNSFT-MRCUWXFGSA-N 336.460 4.598 0 40 EJAB Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1N 20194988 JDXWWWPYACTOSA-UHFFFAOYSA-N 328.721 4.502 0 40 EJAB Cc1ccc(CN(C)C(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1 20485883 BJJTUZHKWQBQEP-AWEZNQCLSA-N 333.884 4.788 0 40 EJAB CC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCC1CCCCC1 21524492 IIXGOMBWZOWJBM-FQEVSTJZSA-N 339.483 4.690 0 40 EJAB O=C(Nc1ccc2oc(-c3ccccc3Cl)nc2c1)c1ccccn1 30822851 GJRAMVXHEQCDRN-UHFFFAOYSA-N 349.777 4.796 0 40 EJAB FC(F)(F)c1nc2ccccc2n1CCOc1ccccc1Cl 40231800 RKWNIRFKWAYZQA-UHFFFAOYSA-N 340.732 4.788 0 40 EJAB Cc1ccc(-c2oc(/C=C/C(=O)O)cc2Br)cc1Cl 40544900 ALLGMMIQJFZCEZ-SNAWJCMRSA-N 341.588 4.769 0 40 EJAB Cc1ccccc1[C@@H](C)NC(=O)CSCCCc1ccccc1 48354562 DJPITBNPTDGTPA-QGZVFWFLSA-N 327.493 4.538 0 40 EJAB Cc1sc2ncnc(N[C@H](c3ccccc3)[C@@H]3CCCO3)c2c1C 58217474 YKHPUICBGUCOMG-DOTOQJQBSA-N 339.464 4.640 0 40 EJAB Cc1cccc(NCC(=O)Nc2ccccc2Cc2ccccc2)c1 69449323 XLMRANOXUOWXPF-UHFFFAOYSA-N 330.431 4.636 0 40 EJAB Fc1ccc(CN2CCCC[C@H]2c2nnc(-c3ccsc3)o2)cc1 72390146 BYJRRONZNLRZQJ-INIZCTEOSA-N 343.427 4.664 0 40 EJAB Cc1ncoc1C(=O)Nc1ccc(Oc2ccnc3ccccc23)cc1 80693700 CKTDKCVGBIRHKS-UHFFFAOYSA-N 345.358 4.576 0 40 EJAB CN(Cc1ccccc1C(F)(F)F)C(=O)c1cc2c(s1)CCC2 83865539 QIGBDHDMPMFYGJ-UHFFFAOYSA-N 339.382 4.528 0 40 EJAB Cc1nc(-c2ccco2)nc2sc(C(=O)OC3CCCC3)c(C)c12 84066899 SYQLTPLZCFQDDG-UHFFFAOYSA-N 342.420 4.668 0 40 EJAB COC(=O)Nc1cccc(NCc2cnc(-c3ccsc3)s2)c1 95428564 RYLGWKBEZWEDEM-UHFFFAOYSA-N 345.449 4.662 0 40 EJAB Cc1nc(-c2cc(C(=O)Nc3c(C)noc3C3CC3)cs2)cs1 97108200 QCGNJHMMHCSRGW-UHFFFAOYSA-N 345.449 4.606 0 40 EJAB O=C1S/C(=C/C=C/c2ccccc2)C(=O)N1Cc1ccc(F)cc1 214264552 VLAFDUSMXMPTNX-AQHRCUNFSA-N 339.391 4.618 0 40 EJAB Cc1cccc(O[C@H](C)C(=O)NCCc2ccc(C(C)C)cc2)c1C 216376172 PGARPIGBXHDPRV-GOSISDBHSA-N 339.479 4.553 0 40 EJAB Cc1cccc(CCCNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c1 219025410 GIPGVYQESFGHSZ-GOSISDBHSA-N 347.458 4.665 0 40 EJAB Cc1ccc(C)c([C@@H](C)NC(=O)CSCc2ccccc2F)c1 222705894 RPNXWEZTQNQZTA-OAHLLOKOSA-N 331.456 4.553 0 40 EJAB CCCOCc1cc(C(=O)Nc2ccc(C)c(Cl)c2)ccc1OC 224413621 JVLVLZHTXVAHQD-UHFFFAOYSA-N 347.842 4.836 0 40 EJAB CCN(CCCNC(=O)c1ccc(C)cc1Cl)c1ccc(C)cc1 225005795 HYWIIKFGGFCGKR-UHFFFAOYSA-N 344.886 4.603 0 40 EJAB CCN(Cc1ccccc1)C(=O)CCc1c(Cl)cccc1Cl 225363321 CNNBVESCELMNGG-UHFFFAOYSA-N 336.262 4.975 0 40 EJAB c1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccsc2)cc1 227485552 YASSPHSXBBCXCW-ICSRJNTNSA-N 332.428 4.990 0 40 EJAB CC(C)Oc1ccc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1 408556381 KDWRQNDBTCWTCG-GOSISDBHSA-N 347.867 4.906 0 40 EJAB CC[C@@H](C)n1cc(/C=C2/SC(=O)N(CC)C2=O)c2ccccc21 409104080 IPNIGMLHWQZNDH-HMHNVIDESA-N 328.437 4.669 0 40 EJAB O=Cc1ccc(-c2ccc(C(=O)OCc3cccc(Cl)c3)cc2)o1 409181277 AMVMEJWNUHTZEJ-UHFFFAOYSA-N 340.762 4.770 0 40 EJAB Cc1c(C(=O)C(F)(F)Br)cccc1-c1ccccc1 575358574 SSDWLGIAZBOOCZ-UHFFFAOYSA-N 325.152 4.832 0 40 EJAB O=C(Nc1ccc2oc(-c3ccncc3)nc2c1)c1cccc(Cl)c1 77615 YTVASPRBFNHYPJ-UHFFFAOYSA-N 349.777 4.796 0 40 EJAB Cc1ccnc(Nc2nnc(Nc3cc(C)ccn3)c3ccccc23)c1 1582713 WROMQVSXSULSPN-UHFFFAOYSA-N 342.406 4.524 0 40 EJAB O=C(CSc1nc2ccccc2o1)c1ccccc1Br 3310262 ZHAGMVZLQDUYRL-UHFFFAOYSA-N 348.221 4.565 0 40 EJAB CC(C)(C)c1ccccc1NC(=O)/C=C/c1ccc(Br)o1 3409326 JRUHMQGBWUDZHI-PKNBQFBNSA-N 348.240 4.992 0 40 EJAB COc1ccccc1CNC(=O)CCCSc1ccc(Cl)cc1 3614874 JHDFOMQGESAJJH-UHFFFAOYSA-N 349.883 4.537 0 40 EJAB O=C(NCCOC12CC3CC(CC(C3)C1)C2)c1cccc2ccccc12 4523790 DOMKDSULWXTEQI-UHFFFAOYSA-N 349.474 4.555 0 40 EJAB CC(=O)Nc1ccc2c(c1)[C@H](N1CC3CCC(CC3)C1)c1ccccc1-2 4913759 XINRDXSLRJXVSV-PVWAMWICSA-N 346.474 4.837 0 40 EJAB Cn1c(C(=O)Nc2ccc(Cl)c(Cl)c2)cc2sccc21 4971180 YRSMYPFGQKPELZ-UHFFFAOYSA-N 325.220 4.799 0 40 EJAB Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2Sc1ccc(Cl)cc1 5525564 MXEIBCYOSABGBK-MJGOQNOKSA-N 344.911 4.963 0 40 EJAB Cc1ccc(NC(=O)c2ccccc2OCc2csc(C)n2)cc1 7918648 FMLBTZHDZCSKOC-UHFFFAOYSA-N 338.432 4.591 0 40 EJAB Clc1ccc2[nH]c(CSc3ncnc4sccc34)nc2c1 8132618 JZVFKDAJZCQPRH-UHFFFAOYSA-N 332.841 4.513 0 40 EJAB COc1ccc(/C=C/C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1 10111732 MTWFRHQIKMAUMJ-WPBGYSLVSA-N 337.463 4.883 0 40 EJAB Cc1nc(-c2ccsc2)sc1C(=O)N[C@H](C)c1ccc(F)cc1 12974220 KYEQIYGXGBYEKD-SNVBAGLBSA-N 346.452 4.810 0 40 EJAB Cc1ccccc1[C@H](C)NC(=O)c1cc(C2CC2)nn1-c1ccccc1 12991641 PWDGJNCFBKUQQD-INIZCTEOSA-N 345.446 4.549 0 40 EJAB CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H]1CC=CCC1 13013168 KRSXWCUVPLXNRH-NRFANRHFSA-N 349.474 4.970 0 40 EJAB O=C(Nc1ccc(Cl)cc1)Nc1nnc(-c2ccc(F)cc2)s1 13571055 IZQJWJLRPVJUFC-UHFFFAOYSA-N 348.790 4.642 0 40 EJAB CN(Cc1ccc(Cl)cc1)C(=O)CCSCc1ccccc1 22523467 BKHYLBKELNQNOI-UHFFFAOYSA-N 333.884 4.622 0 40 EJAB O=C(Nc1nnc(C2CC2)s1)c1ccc(-c2ccccc2Cl)o1 23293272 SKZMSVSAPSHQKS-UHFFFAOYSA-N 345.811 4.581 0 40 EJAB CCCOc1cccc(C(=O)Nc2cc(-c3ccc(F)cc3)no2)c1 27994594 WLBSIUICBXSHID-UHFFFAOYSA-N 340.354 4.522 0 40 EJAB COc1ccc2nc(C)c(C(=O)N3CC[C@H](C)c4ccccc43)cc2c1 31781607 VUCITQBSBDNTQN-AWEZNQCLSA-N 346.430 4.706 0 40 EJAB CCOc1ccc(NC(=O)CSc2ccc3ccccc3c2)cc1 32692031 JECZZWWHIGYZKT-UHFFFAOYSA-N 337.444 4.969 0 40 EJAB Cc1ccc2c(COc3ccccc3C(F)(F)F)cc(=O)oc2c1 32854431 SPRKMRUQHOVHIR-UHFFFAOYSA-N 334.293 4.699 0 40 EJAB CSCc1nnc(SC2c3ccccc3-c3ccccc32)o1 32865473 NWSCUZVEQAGRRR-UHFFFAOYSA-N 326.446 4.795 0 40 EJAB CC(C)c1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 38856659 VIEUNRMDVQLZRW-LJQANCHMSA-N 336.479 4.661 0 40 EJAB O=C(Nc1cccc(C(F)(F)F)c1)N(Cc1ccsc1)C1CC1 44446778 FBPBPSCTPWPQFM-UHFFFAOYSA-N 340.370 4.963 0 40 EJAB O=C(Nc1cccc(Cl)c1Cl)c1noc2c1CCCCC2 61721755 RXXDZYZZHVVEIS-UHFFFAOYSA-N 325.195 4.503 0 40 EJAB Fc1cc(F)cc(NC(=S)Nc2ccccc2C(F)(F)F)c1 71761067 IXCFAPKRWRXSGN-UHFFFAOYSA-N 332.297 4.793 0 40 EJAB O=C(c1cccc(Cl)c1)N(Cc1ccoc1)Cc1cccs1 90612093 ZWSDXGVUGJBKPU-UHFFFAOYSA-N 331.824 4.837 0 40 EJAB C[C@H](N[C@H]1CCc2ccccc21)C(=O)Nc1cc(Cl)cc(Cl)c1 95946718 UOCLZCIQOCUTEB-GTNSWQLSSA-N 349.261 4.598 0 40 EJAB CC1(C)[C@H]2CC[C@@]1(C)c1nc(SCc3ccc(Cl)cc3)nnc12 100251753 ZJTFZELJDIFDGW-UGSOOPFHSA-N 345.899 4.992 0 40 EJAB O=c1[nH]c2c(s1)[C@@H](c1ccc(Cl)cc1)[C@@H]1[C@@H](S2)[C@@H]2CC[C@@H]1C2 100860011 ATOKCVQCCLMGBV-TZNMXHEESA-N 349.908 4.742 0 40 EJAB Cc1ccnc(N(C(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)c1 199716278 YDLJCYXRXWTKLS-UHFFFAOYSA-N 327.428 4.529 0 40 EJAB Cc1cccc(CSCC(=O)N[C@@H](C)c2cc(C)ccc2C)c1 222740923 LMNUAUARXQCUAH-KRWDZBQOSA-N 327.493 4.722 0 40 EJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NC(C)(C)Cc1ccccc1 222797115 GWSVQBOPDQAVIY-GOSISDBHSA-N 345.870 4.635 0 40 EJAB CCc1ccc(CC)c(CNC(=O)[C@@H](C)Oc2cccc(Cl)c2)c1 223345771 QHLQZZDZKKOZJS-CQSZACIVSA-N 345.870 4.549 0 40 EJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cc(C)ccc1C 225447580 IHYCVHAYDOBOAI-OAQYLSRUSA-N 337.463 4.978 0 40 EJAB CCCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OCC)cc1Cl 225691246 WPLWUWNNZGIOCH-GOSISDBHSA-N 341.879 4.909 0 40 EJAB Cc1ccc([C@@H](NC(=S)Nc2ccncc2)c2ccccc2)c(C)c1 225769695 IMXQJPRUNZEQNJ-FQEVSTJZSA-N 347.487 4.774 0 40 EJAB CCc1ccc(NC(=S)N[C@@H](C)COc2ccc(C)c(C)c2)cc1 225789654 FIJLWUBZUQSZEA-INIZCTEOSA-N 342.508 4.620 0 40 EJAB C[C@H](Nc1ccc2nc(C(F)F)sc2c1)c1nc(C2CC2)no1 390834538 BCUSUDHCDYXASL-ZETCQYMHSA-N 336.367 4.667 0 40 EJAB O=C(Nc1cccc(N2CCCC2)c1)c1cc2cc(Cl)ccc2o1 408602003 BMLTXZARBQMHMI-UHFFFAOYSA-N 340.810 4.939 0 40 EJAB CN1CCC[C@H](COc2ccccc2Oc2cccc(Cl)c2)C1 585266246 XSNVOEVYVIXECG-HNNXBMFYSA-N 331.843 4.853 0 40 EJAB Cc1cccn2cc(-c3ccc(NC(=O)c4ccccc4F)cc3)nc12 79503 QRTZYSAREISADL-UHFFFAOYSA-N 345.377 4.701 0 40 EJAB Cc1nn(C(=O)[C@@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)c(C)c1Cl 356022 TYANIFRHPYEYTJ-HZPDHXFCSA-N 330.859 4.895 0 40 EJAB CC(C)CN1[C@@H]2CCC[C@@H]1CC(NC(=O)Nc1cccc(Cl)c1)C2 1369478 CDFCWSJLRFSQNX-QZTJIDSGSA-N 349.906 4.503 0 40 EJAB O=C(CCc1cc(F)c(F)c(F)c1)c1ccc(Br)cc1 2517850 HQXSLRAAZKFKKG-UHFFFAOYSA-N 343.142 4.682 0 40 EJAB O=C(NCCCc1ccccc1)C(c1ccccc1)c1ccccc1 3269206 GGASESVHBWYDKY-UHFFFAOYSA-N 329.443 4.568 0 40 EJAB in-vivo COc1cc(C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1OC 3548910 VTPLRGRJJHGAHQ-UHFFFAOYSA-N 340.206 4.571 0 40 EJAB CCC(=O)Nc1c(C(=O)Nc2cccc(Cl)c2)oc2ccccc12 4341970 XRGZNNOMAJKRMR-UHFFFAOYSA-N 342.782 4.687 0 40 EJAB COc1ccc(-c2nc3ncccn3c2Nc2cc(C)cc(C)c2)cc1 4735178 VKAQOTHCRLVXGU-UHFFFAOYSA-N 344.418 4.765 0 40 EJAB CCCCC(=O)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1 5501848 QKWGXIVDINJHEH-UHFFFAOYSA-N 330.815 4.721 0 40 EJAB CCOc1ccc2c(c1)S/C(=C\c1ccc(Cl)cc1)C(=O)N2 6016495 UHTISJNSSMYTAU-SXGWCWSVSA-N 331.824 4.824 0 40 EJAB O=C(CCCSc1nc2ccccc2s1)Oc1ccccc1 7814371 GYFRHQBRPSEQEL-UHFFFAOYSA-N 329.446 4.774 0 40 EJAB Cc1cccc(CSc2nnc(COc3ccc(Cl)cc3)o2)c1 12249611 XKBATICTBKLRQR-UHFFFAOYSA-N 346.839 4.903 0 40 EJAB Cc1cc(Cl)ccc1OCCCC(=O)N[C@@H](C)CCC(C)C 13097175 KGPCQULVJVLZNV-HNNXBMFYSA-N 325.880 4.748 0 40 EJAB Cn1nc(C(C)(C)C)cc1NC(=O)Cc1ccc(-c2ccccc2)cc1 14189871 CELGPVYDFGNIMN-UHFFFAOYSA-N 347.462 4.566 0 40 EJAB CC[C@@H](C)c1ccccc1NC(=O)CN(C)Cc1ccccc1Cl 14247882 ZWORIVPMEZERPI-OAHLLOKOSA-N 344.886 4.924 0 40 EJAB Clc1ccc([C@@H]2[C@@H](NCc3cccnc3)[C@@H]3CCCC[C@H]32)cc1 19339705 VFLJBQSLKAAEQO-ZRNYENFQSA-N 326.871 4.797 0 40 EJAB COc1ccc2[nH]c(CN3CCc4c([nH]c5ccccc45)[C@@H]3C)cc2c1 19498297 AYTVKBARGSNCCG-AWEZNQCLSA-N 345.446 4.777 0 40 EJAB C[C@@H](NC(=O)CCN1c2ccccc2Sc2ccccc21)C1CC1 25593192 DVVMCFYDGXGZJH-CQSZACIVSA-N 338.476 4.594 0 40 EJAB C[C@H]1C[C@H](NC(=O)Nc2ccc(Br)cc2)CC(C)(C)C1 30835602 FVTFSUCPTFOUPE-FZMZJTMJSA-N 339.277 4.785 0 40 EJAB Cc1ccc(-c2cc(C(F)F)nc(N3CCC[C@H](C)C3)n2)cc1C 36612839 HLSRDNROILOMHG-LBPRGKRZSA-N 331.410 4.934 0 40 EJAB COC(=O)c1cc(Nc2ccc(C)c(Cl)c2)c2cccc(F)c2n1 38486938 CEYLPCUZPMYCGG-UHFFFAOYSA-N 344.773 4.866 0 40 EJAB O=C(c1csc(Cc2ccccc2)n1)N1CCC[C@@H]2CCCC[C@@H]21 40090225 NJPDXVIYKYCDOA-WMZOPIPTSA-N 340.492 4.529 0 40 EJAB Cc1c(C(=O)Nc2ccc(-c3nnco3)cc2)sc2ccccc12 58267321 YVDXGZBHHPFWAW-UHFFFAOYSA-N 335.388 4.512 0 40 EJAB Cc1noc(C(C)C)c1C(=O)Nc1ccc(Oc2ccccc2)nc1 58322839 YWBRQMJBBYOYBI-UHFFFAOYSA-N 337.379 4.546 0 40 EJAB O=C(Cc1cccc(Br)c1)Nc1cccc2ccccc12 72068318 WBOFPLSQMGTOIB-UHFFFAOYSA-N 340.220 4.784 0 40 EJAB C[C@@H](NC(=S)N[C@H]1CCSc2c(F)cccc21)c1ccccc1 84656649 VYSCVTDHYTYXDX-WBMJQRKESA-N 346.496 4.588 0 40 EJAB CC[C@H](NC(=O)COc1cccc(C)c1C)c1ccc(C)c(C)c1 222822255 VYYOOCRXTRSDNZ-IBGZPJMESA-N 325.452 4.567 0 40 EJAB CC1=CC(C)(C)N(C(=O)C(C)(C)Br)c2cc(C)ccc21 223237210 OLEATEVWJMVBPK-UHFFFAOYSA-N 336.273 4.697 0 40 EJAB COc1cc(C)c(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1C(C)C 225664202 HWMPHADPXYTIGI-UHFFFAOYSA-N 341.495 4.826 0 40 EJAB O=C(c1csc(-c2ccccc2)n1)N1CC[C@@H](c2cccs2)C1 828208278 DAPPVGIRONXSGE-CQSZACIVSA-N 340.473 4.501 0 40 EJAB CC(=O)NCc1ccc(NCc2ccc(Cl)c(C)c2Cl)cc1 1657422295 FEUVIENFBRBLES-UHFFFAOYSA-N 337.250 4.550 0 40 EJAB CC(C)OC(=O)c1c(NC(=O)C2CCCCC2)sc2c1CCCC2 92912 OXOKRJYUDFNUGN-UHFFFAOYSA-N 349.496 4.711 0 40 EJAB Cc1ccc2nc3sc(C(=O)Nc4ccccc4C)c(N)c3cc2c1 412395 HXRKHEWDNISMBR-UHFFFAOYSA-N 347.443 4.901 0 40 EJAB Fc1cccc(COc2ccc(C(=S)N3CCCCC3)cc2)c1 555881 RPYDBGVMXWHGQN-UHFFFAOYSA-N 329.440 4.566 0 40 EJAB O=C(CCC(=O)c1ccc(F)cc1)OCc1cccc2ccccc12 3435477 GOIGGJGPJLXZDP-UHFFFAOYSA-N 336.362 4.685 0 40 EJAB Cc1ccc(C)c(C(=O)CSc2ncnc3sc(C)c(C)c23)c1 3527607 FSFVREKINJAGDP-UHFFFAOYSA-N 342.489 4.900 0 40 EJAB CCCCOc1cccc(-c2cc(C(=O)OC)c3ccccc3n2)c1 4614812 PJLUUOJUDXKENF-UHFFFAOYSA-N 335.403 4.867 0 40 EJAB CC(C)(C)c1ccc(C(=O)NCCOc2cccc3ccccc23)cc1 5642358 MPWUGQLZLPSKLE-UHFFFAOYSA-N 347.458 4.946 0 40 EJAB Cc1cc(C)c2nc(NC(=O)COc3ccccc3Cl)sc2c1 6273753 GLLCVGVYQRFXPU-UHFFFAOYSA-N 346.839 4.584 0 40 EJAB CCCCC(=O)Nc1cccc(NC(=O)c2ccc(Cl)cc2)c1 6396916 JOEQLFPIJBBEIM-UHFFFAOYSA-N 330.815 4.721 0 40 EJAB COc1cccc(OCC(=O)Nc2cccc(Oc3ccccc3)c2)c1 6640220 WBOFEDGVWRVKED-UHFFFAOYSA-N 349.386 4.505 0 40 EJAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1C 8041465 MKTBQONSTVVTOY-CYBMUJFWSA-N 337.341 4.728 0 40 EJAB Cc1ccc2cc(CNc3cccc(C(F)(F)F)c3)c(=O)[nH]c2c1C 12492958 RHCJJHVSZZRDPH-UHFFFAOYSA-N 346.352 4.776 0 40 EJAB O=C(Nc1c(-c2ccc(F)cc2)nc2sccn12)c1cccs1 12520597 VQSDAANJISACCB-UHFFFAOYSA-N 343.408 4.516 0 40 EJAB CC[C@H](C)C(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 12860960 ABWDGDGZGQNLDN-JTQLQIEISA-N 342.386 4.737 0 40 EJAB O=C(OCc1cccnc1)c1cc(-c2cccs2)nc2ccccc12 15006547 HHTRPTKGUWXAID-UHFFFAOYSA-N 346.411 4.715 0 40 EJAB CCOc1ccccc1NC(=O)[C@H](CC)Oc1ccccc1Cl 20110202 GTHSFXKANBAJFF-HNNXBMFYSA-N 333.815 4.535 0 40 EJAB CN(Cc1ccsc1)C(=O)c1csc(-c2ccc(Cl)cc2)n1 21708988 SHORERUWUIOAFP-UHFFFAOYSA-N 348.880 4.797 0 40 EJAB COc1ccccc1NC(=O)c1cccnc1Nc1c(C)cccc1C 22072179 HLZYLSHDCFVLJZ-UHFFFAOYSA-N 347.418 4.703 0 40 EJAB CCOc1cccc(NC(=O)[C@@H](CC)Oc2ccccc2Cl)c1 22508776 YPKMYSBYEAKMLY-MRXNPFEDSA-N 333.815 4.535 0 40 EJAB CCOc1ccc(-c2nc(-c3ccccc3Br)no2)cc1 23477931 GECYJMHPVFUUMX-UHFFFAOYSA-N 345.196 4.565 0 40 EJAB Clc1cccc(Cl)c1[C@@H]1Nn2c(nnc2-c2ccccc2)S1 27525884 PNKDQHBJQVWVOX-CQSZACIVSA-N 349.246 4.600 0 40 EJAB C[C@H](N[C@H]1CCc2ccccc21)C(=O)Nc1ccc(Cl)cc1Cl 32851133 DCEXNQQVSQZKPR-ZBEGNZNMSA-N 349.261 4.598 0 40 EJAB COc1ccc2c(c1)CCCN2C(=O)c1sc2ccccc2c1C 39535894 PAMVERGFHYAXAA-UHFFFAOYSA-N 337.444 4.811 0 40 EJAB COc1ccc(C(C)=O)cc1CN(C1CC1)[C@@H](C)c1ccccc1F 40155708 FXORLEQATIVRSY-AWEZNQCLSA-N 341.426 4.763 0 40 EJAB Cc1cccc(C)c1NC(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 40478254 GPEMVHZNQCUPJS-UHFFFAOYSA-N 325.799 4.599 0 40 EJAB O=C(Nc1ccccc1C(F)(F)F)N1CCC[C@H](C(F)(F)F)C1 69420563 WQOQPUAKBLVFNA-VIFPVBQESA-N 340.267 4.512 0 40 EJAB CNc1nc2c(s1)[C@@H](c1cccc(OC3CCCC3)c1)CC(O)=N2 71282709 LHGSRTDZCDAALS-CQSZACIVSA-N 343.452 4.630 0 40 EJAB C[C@H](c1ccc(F)cc1)[S@](=O)Cc1csc(C2CCCC2)n1 78556341 OJNUYIFOMIFOJE-IPQOISQHSA-N 337.485 4.950 0 40 EJAB O=C(CCc1ccccc1)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 78797160 UGWCLFPUHWWZEN-OAQYLSRUSA-N 332.447 4.854 0 40 EJAB Sc1nc(-c2ccc(Br)cc2)[nH]c1-c1ccccc1 100028663 KXTBMHPSEGUXJA-UHFFFAOYSA-N 331.238 4.795 0 40 EJAB CC[C@@H](NC(=O)c1ccc(C)cc1Cl)c1ccc(OC)c(C)c1 225007362 RYWJBEMHHKWUCQ-QGZVFWFLSA-N 331.843 4.847 0 40 EJAB O=C(O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1ccc(F)cc1)N2 245257672 CDKMKGVNQGCEMV-NFKIQKPMSA-N 337.394 4.820 0 40 EJAB COc1ccc(Nc2nc3c(s2)CCc2cc(OC)ccc2-3)cc1 408888839 BPVPDNAECRAHIQ-UHFFFAOYSA-N 338.432 4.670 0 40 EJAB Cc1cc(OCC(=O)Oc2cc(C)c(Cl)c(C)c2)ccc1Cl 118113 UFSLCIRMKSXVIY-UHFFFAOYSA-N 339.218 4.903 0 40 EJAB S=C(Nc1ccc(Cl)cc1)N1CCS[C@@H]1c1cccs1 269232 HLQMQYSIQMQHLL-CYBMUJFWSA-N 340.926 4.846 0 40 EJAB CCOC(=O)c1c(NC(=O)[C@@H](CC)c2ccccc2)sc(C)c1C 482818 UPGNACKWEGQRBG-HNNXBMFYSA-N 345.464 4.674 0 40 EJAB Cc1ccc(N2C[C@H](c3nc4ccccc4n3CC(C)C)CC2=O)cc1 534338 FBOBCBDQECXGCR-QGZVFWFLSA-N 347.462 4.521 0 40 EJAB CCOc1ccc(NC(=O)CCCOc2ccc(Cl)cc2C)cc1 2080168 NKSPENOCUAWXFC-UHFFFAOYSA-N 347.842 4.845 0 40 EJAB COc1c(Cl)ccc(Cl)c1C(=O)Nc1ccc(F)cc1F 3168089 KLKSUYMCAGAQBE-UHFFFAOYSA-N 332.133 4.533 0 40 EJAB CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)N(C)Cc1ccccc1C 3491703 FEQFRLZEPJCXTE-AEFFLSMTSA-N 338.495 4.968 0 40 EJAB CC(C)c1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)cc1 4565832 LGQMYAMNRMSDQN-LBPRGKRZSA-N 338.476 4.900 0 40 EJAB CCCOc1ccccc1NC(=O)Cc1c(Cl)cccc1Cl 5512568 UKSGMJCOBHAYIR-UHFFFAOYSA-N 338.234 4.963 0 40 EJAB COc1ccc(CNC(=O)CC(c2ccccc2)c2ccccc2)cc1 5513731 FSCCZFBGIJTXQH-UHFFFAOYSA-N 345.442 4.534 0 40 EJAB C[C@H](Oc1ccccc1Cl)C(=O)Nc1cccc2ccccc12 5862002 KOXGOSUWJMNXPE-ZDUSSCGKSA-N 325.795 4.899 0 40 EJAB CC(C)Cc1ccc([C@H](C)c2nnc(S)n2-c2ccccc2)cc1 6159740 VGICELBGKHQNDQ-HNNXBMFYSA-N 337.492 4.906 0 40 EJAB CCCn1c(=S)[nH]c2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 6783551 ZLATWCBFODSIGV-UHFFFAOYSA-N 340.492 4.741 0 40 EJAB C[C@@H](N[C@H](C)c1ccc(Cl)cc1)C(=O)c1c[nH]c2ccccc12 7538568 QUXMBCQIXLQECP-CHWSQXEVSA-N 326.827 4.743 0 40 EJAB CCOc1cc(/C=C/C(=O)Nc2c(C)cccc2CC)ccc1OC 7653204 LAGPSPLXTYRNJE-ACCUITESSA-N 339.435 4.617 0 40 EJAB CC[C@H](NC(=O)c1cc2ccccc2cc1OC)c1ccc(OC)cc1 7986702 DCYYSKPEMQJAMV-FQEVSTJZSA-N 349.430 4.738 0 40 EJAB O=C(CSc1ccccc1)Nc1nc2cc(Cl)ccc2s1 8560666 VWPLCIFIXQMMPO-UHFFFAOYSA-N 334.853 4.681 0 40 EJAB Cc1cccc(C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)c1C 11071786 HYAKAVLKZZYPQB-UHFFFAOYSA-N 330.431 4.714 0 40 EJAB COc1ccc(Nc2ccccc2NC(=O)c2ccccc2F)cc1 12533797 MPFPRCSYOGZEBE-UHFFFAOYSA-N 336.366 4.830 0 40 EJAB Cc1oc2nc(SC(C)C)nc(NC(=O)c3ccccc3)c2c1C 12769630 UHGFNVBKYUEROK-UHFFFAOYSA-N 341.436 4.592 0 40 EJAB CC(=O)NCc1ccc(-c2nc(NC3CCCCC3)sc2C)s1 12973650 IAAWOGJSJKADCF-UHFFFAOYSA-N 349.525 4.561 0 40 EJAB O=C(NCc1csc(-c2ccccc2)n1)c1cccc2ccccc12 15832356 CJBJCRSCDRBSFG-UHFFFAOYSA-N 344.439 4.893 0 40 EJAB C[C@H]1Sc2nc(-c3ccccc3)cn2N=C1c1c[nH]c2ccccc12 16331453 ZOXARXZOSILETN-CYBMUJFWSA-N 344.443 4.778 0 40 EJAB C[C@@H](N[C@H](C)c1ccccc1Cl)c1nnc(-c2ccccc2)o1 26362658 SJLYNPRQXHSQDD-CHWSQXEVSA-N 327.815 4.802 0 40 EJAB O=C(c1sc2ccccc2c1Cl)N(Cc1cccnc1)C1CC1 28515633 ZUBLECQKLKHETG-UHFFFAOYSA-N 342.851 4.755 0 40 EJAB FC(F)(F)c1ccnc(Nc2ccc(Nc3ccccc3)cc2)n1 29361032 DEVXCSSPYDXUJA-UHFFFAOYSA-N 330.313 4.983 0 40 EJAB CN(Cc1nc(-c2ccco2)no1)C(c1ccccc1)c1ccccc1 29926244 BZBDILSNVOBOGP-UHFFFAOYSA-N 345.402 4.551 0 40 EJAB CCc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1C(F)(F)F 30847437 MCTIQZSQJASQAR-LBPRGKRZSA-N 337.341 4.674 0 40 EJAB Cc1nc(CNC(=O)c2oc3c(ccc4ccccc43)c2C)cs1 32937753 QZDVXMHTCZGKTF-UHFFFAOYSA-N 336.416 4.589 0 40 EJAB O=C(c1ccc2ncsc2c1)N(Cc1ccco1)c1ccccc1 40012245 ZFDZHNJTGFSYLY-UHFFFAOYSA-N 334.400 4.736 0 40 EJAB CCCCN(C)C(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 40051511 JQYPHRNJCSMBAQ-UHFFFAOYSA-N 334.419 4.881 0 40 EJAB O=C(O)c1ccc2c(c1)[C@H]1c3ccccc3C[C@H]1[C@@H](c1ccccc1)N2 59961047 QEDSYWUTGCBDJF-CEMLEFRQSA-N 341.410 4.856 0 40 EJAB CC(C)(C)OC(=O)N1CCC[C@H](c2ccc(Br)cc2)C1 65731431 WRSHWNCUNYWQBB-ZDUSSCGKSA-N 340.261 4.564 0 40 EJAB Cn1c(-c2cccc(-c3nc4ccccc4n3C)c2)nc2ccccc21 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SJCKRWYGCAABAH-UHFFFAOYSA-N 334.375 4.591 0 40 EJAB CCc1ccc(CC)c(CNC(=O)[C@@H](C)Oc2cccc(C)c2C)c1 225690157 HUBXRUKISZOYPG-QGZVFWFLSA-N 339.479 4.512 0 40 EJAB Cc1cccc(-c2nc3ccc(N4Cc5ccccc5C4=O)cc3o2)c1 226286846 XKYJXWBSDJPECV-UHFFFAOYSA-N 340.382 4.964 0 40 EJAB C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(-c2ccc(Cl)cc2N)o1 226304806 QJWCBXXFOHRGDJ-VXGBXAGGSA-N 332.831 4.585 0 40 EJAB COc1ccc(C2=NN(C(C)=O)[C@H](c3ccccc3)C2)c2ccccc12 226760858 DNPWFQFJGUHGAF-NRFANRHFSA-N 344.414 4.546 0 40 EJAB CCn1c(-c2ccc(C)cc2)c(C)s/c1=N\C(=O)c1ccccc1 408562941 SLIZWCRPDUQTTQ-MRCUWXFGSA-N 336.460 4.594 0 40 EJAB Cc1ccc(S[C@@H](C)C(=O)N[C@@H](C)CCc2ccccc2)cc1 408578018 RVPYABJOABWOFW-IRXDYDNUSA-N 327.493 4.613 0 40 EJAB CC(C)(C)Oc1ccc(C(=O)N2CCC[C@H](C(C)(C)C)CC2)nc1 622376965 YXBJRAFJIZEPDL-HNNXBMFYSA-N 332.488 4.547 0 40 EJAB Cc1ccc(C(=O)Nc2c(-c3cccs3)nc3ccccn23)cc1 201405 HBSOMSRRSDRCDG-UHFFFAOYSA-N 333.416 4.624 0 40 EJAB Cc1ccccc1Nc1nc(NCc2ccco2)c2ccccc2n1 458926 NZDRBVMWEIXLHA-UHFFFAOYSA-N 330.391 4.887 0 40 EJAB Cc1cccc(COc2c(-c3ccco3)oc3ccccc3c2=O)c1 1978249 RYTYZBNMRMWJDF-UHFFFAOYSA-N 332.355 4.940 0 40 EJAB O=C(Sc1ccc(Cl)cc1)C(=O)Sc1ccc(Cl)cc1 2149562 NDEFWMFSVXHDCR-UHFFFAOYSA-N 343.256 4.931 0 40 EJAB CCc1c(C)sc2ncn3nc([C@@H]4C[C@H]4c4ccc(C)cc4)nc3c12 2808969 IXTIMDNXEMURGN-JKSUJKDBSA-N 348.475 4.789 0 40 EJAB Cc1ccccc1COC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 3437433 LESWCCHEYWDDCK-UHFFFAOYSA-N 349.386 4.506 0 40 EJAB O=C(Nc1c(C(=O)Nc2ccccc2)oc2ccccc12)c1ccco1 4267225 OBKBTPBQNUVRKF-UHFFFAOYSA-N 346.342 4.530 0 40 EJAB Cc1sc2c(c1C)C(=O)N[C@H](c1ccc(-c3ccc(F)cc3)o1)N2 4523666 UAVYUPNXRYHKLR-INIZCTEOSA-N 342.395 4.618 0 40 EJAB COc1ccc(OCC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 5522993 PDBHXZKNCQOQAW-UHFFFAOYSA-N 341.451 4.960 0 40 EJAB Cc1cc(C)cc(OCCNC(=O)c2ccc(-c3ccccc3)cc2)c1 5697708 IUDUSMVLMCAVRF-UHFFFAOYSA-N 345.442 4.779 0 40 EJAB CC[C@H](C)c1ccccc1OC[C@@H](O)CN(CC)C1CCCCC1 6356059 HUHCJNJBZMWXPS-HKUYNNGSSA-N 333.516 4.594 0 40 EJAB Cc1ccc(-c2csc(NC(=O)c3ccc4[nH]cnc4c3)n2)cc1C 8719903 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O=C1c2cccc3cccc(c23)C(=O)N1c1ccc(Cl)c(Cl)c1 34751624 BZVVBXRQMOHKMP-UHFFFAOYSA-N 342.181 4.947 0 40 EJAB COC(=O)c1cc(Nc2ccc(F)c(Cl)c2)c2cccc(C)c2n1 38487141 TVDMXUQXTVYLRI-UHFFFAOYSA-N 344.773 4.866 0 40 EJAB Cc1sc2ncnc(N[C@@H](c3ccccc3)[C@H]3CCCO3)c2c1C 58217475 YKHPUICBGUCOMG-WBVHZDCISA-N 339.464 4.640 0 40 EJAB C[C@@H]1CCCN(C(=O)CCc2ncc(-c3ccccc3Cl)o2)CC1 58424867 ULQFRRIPZVNFCT-CQSZACIVSA-N 346.858 4.576 0 40 EJAB Fc1ccc(Cc2cccc([C@H]3CCCN3Cc3cccnc3)n2)cc1 72357680 ZGJIPBREWVECMP-JOCHJYFZSA-N 347.437 4.544 0 40 EJAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccccc1C(F)(F)F 78700767 HAFQTWSNBNDQAZ-CQSZACIVSA-N 341.304 4.641 0 40 EJAB Cc1cccc([C@@H]2CC(c3ccco3)=NN2C(=O)c2ccccc2)c1 96118928 VFZDFDNHJSJFCY-IBGZPJMESA-N 330.387 4.580 0 40 EJAB C[C@@H](Cn1ccc2cc(Br)ccc2c1=O)c1ccccc1 114146036 ZEYWHPIEEHTHGW-ZDUSSCGKSA-N 342.236 4.568 0 40 EJAB Cc1cc(O[C@H](C)C(=O)N[C@@H](C)CCc2ccccc2)ccc1Cl 222847493 SBFLHNDQHBRQHW-JKSUJKDBSA-N 345.870 4.553 0 40 EJAB CCc1ccc(O[C@@H](CC)C(=O)Nc2cccc(OC(C)C)c2)cc1 222886977 XWPDEUNFLTZXTC-FQEVSTJZSA-N 341.451 4.832 0 40 EJAB Cc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)c(Cl)c1 224995360 NUWFTIMHHNCMBW-UHFFFAOYSA-N 328.626 4.885 0 40 EJAB CC[C@@H](C)N1C(=O)S/C(=C/c2cccn2-c2ccc(C)cc2)C1=O 409020588 QUKKUUSEAAAXJH-RFRKOGIWSA-N 340.448 4.621 0 40 EJAB Cc1ccc(S[C@@H](C)C(=O)NCCSCc2ccccc2)cc1 409172233 DRCBZXMOWDJUPQ-INIZCTEOSA-N 345.533 4.525 0 40 EJAB O=C(CCc1ccccc1)c1ccc(OC(F)(F)C(F)F)cc1 575360590 JJJQXABRHXQKJD-UHFFFAOYSA-N 326.289 4.739 0 40 EJAB C[C@@H]1CCN(Cc2cc(C(=O)O)ccc2Cl)CC12CCCCC2 577642432 GBDCPQVICJQNKA-CQSZACIVSA-N 335.875 4.831 0 40 EJAB O=C(NC[C@H](c1ccco1)c1cccs1)c1c(F)cccc1Cl 585146818 UDFBRUBYDGDHLO-LLVKDONJSA-N 349.814 4.696 0 40 EJAB C[C@H](S[C@H]1Cc2cc(Cl)ccc2Sc2ccccc21)C(N)=O 346650 HJURBEHONKUNEP-QFYYESIMSA-N 349.908 4.695 0 40 EJAB COc1ccc2nc(NC(=O)c3ccc4ccccc4c3)sc2c1 1518252 PFTSDFZZUYZYAD-UHFFFAOYSA-N 334.400 4.710 0 40 EJAB O=C(Cc1ccc(Cl)c(Cl)c1)NCCc1ccc(Cl)cc1 3435809 VQTAEXYBHHBKMZ-UHFFFAOYSA-N 342.653 4.548 0 40 EJAB COc1cc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1F 3611935 LEUGWXHCYOUKTA-UHFFFAOYSA-N 329.758 4.893 0 40 EJAB COc1ccc(NC(=O)N2CCS[C@H]2c2ccccc2Cl)cc1 4941155 BIESPNICKCOHCJ-INIZCTEOSA-N 348.855 4.628 0 40 EJAB O=C1N(c2ccc(Cl)c(Cl)c2)[C@H](c2ccccc2)N2CCCN12 5325306 SDVZQVHBQMVFSN-MRXNPFEDSA-N 348.233 4.555 0 40 EJAB Cc1cc(C)c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)c(C)c1 6255225 SIZKBYOESWZMHB-OAHLLOKOSA-N 331.843 4.980 0 40 EJAB S=C(c1ccc(Cl)cc1)N1CCC(Cc2ccccc2)CC1 6281340 KOBSDUCYEUXONO-UHFFFAOYSA-N 329.896 4.970 0 40 EJAB O=C(Nc1ccccc1)c1cc(-c2cccs2)nn1-c1ccccc1 6338351 GNKLJDKRVBRMPX-UHFFFAOYSA-N 345.427 4.853 0 40 EJAB Cc1cc2occ(CC(=O)Nc3nc4ccccc4[nH]3)c2cc1C(C)C 6567112 JPWWMIYVAPJDGH-UHFFFAOYSA-N 347.418 4.922 0 40 EJAB COc1cccc([C@@H]2Nc3c(C)ccc(C(=O)O)c3[C@H]3C=CC[C@H]32)c1 6965811 UKGJJMWANLNQQF-YRNRMSPPSA-N 335.403 4.528 0 40 EJAB c1coc(-c2cc(CSc3nnc(C4CCCCC4)o3)no2)c1 7415743 XHIDQLUXJUWBLJ-UHFFFAOYSA-N 331.397 4.658 0 40 EJAB Cc1cc2nc(Oc3ccc4ccncc4c3)c3ccccc3n2n1 7737803 ZVKCNUSMHYLMQB-UHFFFAOYSA-N 326.359 4.531 0 40 EJAB COc1ccc2oc(C(=O)OCc3ccc(SC)cc3)c(C)c2c1 7779583 NMWDRLAOCMTJKY-UHFFFAOYSA-N 342.416 4.829 0 40 EJAB CC(C)c1ccc(C[C@@H]2C(=O)Nc3ccc(Br)cc32)cc1 9251003 POJVECGXSWVUHE-INIZCTEOSA-N 344.252 4.851 0 40 EJAB CCOc1cccc(NC(=O)c2ccccc2OCc2ccccc2)c1 9817017 BWUNWXQPCGUXFU-UHFFFAOYSA-N 347.414 4.917 0 40 EJAB Cc1ccc(NC(=O)c2sc(Nc3ccc(F)cc3)nc2C)cc1 22245743 ILQJUSMDUPGVHT-UHFFFAOYSA-N 341.411 4.895 0 40 EJAB C[C@@H]1C[C@H]1c1ccc(CN(C(=O)c2cccc(Cl)c2)C2CC2)o1 27285681 OFICAEGXWAGWLB-SJKOYZFVSA-N 329.827 4.861 0 40 EJAB COc1ccc(Cl)cc1NC(=O)Nc1cccc2ncccc12 27926163 JXBBDAMXPKANDK-UHFFFAOYSA-N 327.771 4.541 0 40 EJAB COc1ccc2nc(C)c(C(=O)N3CC[C@@H](C)c4ccccc43)cc2c1 31781605 VUCITQBSBDNTQN-CQSZACIVSA-N 346.430 4.706 0 40 EJAB O=C(Nc1cccnc1)c1ccccc1-c1ncc(-c2ccccc2)o1 32820668 NSVIBDFCQOWKHF-UHFFFAOYSA-N 341.370 4.656 0 40 EJAB CC[C@H](NC(=O)/C=C/c1csc(C)n1)C12CC3CC(CC(C3)C1)C2 32889156 GJIFNKSTJDXKMW-VCQDLDFCSA-N 344.524 4.576 0 40 EJAB C[C@H](NC(=O)CSCc1ccc(Cl)s1)c1ccc(F)cc1 32891045 MMLNTTJLUHQCOO-JTQLQIEISA-N 343.876 4.651 0 40 EJAB CCc1cccc2c(C3=CCN(C(=O)c4cc(C)oc4C)CC3)c[nH]c12 36390863 PTAOWWOPLAOLMN-UHFFFAOYSA-N 348.446 4.870 0 40 EJAB CCOCCCC(=O)Nc1nc(-c2ccc(Cl)cc2)c(C)s1 40129585 GWMLTSCFOXGCNC-UHFFFAOYSA-N 338.860 4.527 0 40 EJAB Cc1oc(-c2cccs2)nc1CN(Cc1ccccn1)C(C)C 48313830 NOZZAJYTTKOVFJ-UHFFFAOYSA-N 327.453 4.517 0 40 EJAB c1ccc(C[C@@H](NCc2nc3ccccc3o2)c2ccccc2)cc1 52661530 BYRRTVKAIKZFOE-HXUWFJFHSA-N 328.415 4.901 0 40 EJAB CCCCC(=O)Nc1cc(C)c(O)c(-c2nc3cc(C)ccc3o2)c1 70462020 IUPFBDNACNQHNC-UHFFFAOYSA-N 338.407 4.946 0 40 EJAB C[C@@H]1Cc2ccccc2N1C(=O)CSCc1ccc(Cl)cc1F 222698968 JJMDLBPWKNGVNK-GFCCVEGCSA-N 349.858 4.690 0 40 EJAB Cc1ccc(C(C)C)c(OCC(=O)NCc2ccc3ccccc3c2)c1 222817182 RTNPAPXMBLWIFN-UHFFFAOYSA-N 347.458 4.967 0 40 EJAB Cc1ccc(O[C@H](C)C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1 223452355 OIEPTXJJIOJJRZ-ZWKOTPCHSA-N 325.452 4.565 0 40 EJAB CCc1ccc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)s1 409004856 BTKIXUQYKCPRSW-VBKFSLOCSA-N 343.473 4.590 0 40 EJAB O=C(NCCSc1ccccc1)c1ccc(-c2ccccc2)cc1 409167761 MTWJNXCYKPJHRU-UHFFFAOYSA-N 333.456 4.876 0 40 EJAB O=C(Cc1csc2ccc(Cl)cc12)N1CCc2cccc(F)c21 1126987027 GMGQWSCZAMMIMS-UHFFFAOYSA-N 345.826 4.826 0 40 EJAB Cc1cc(=O)oc2cc(OCc3ccc(Cl)cc3)c(Cl)cc12 237749 XNUNIGCBASICAW-UHFFFAOYSA-N 335.186 4.987 0 40 EJAB Cc1ccc(OC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)cc1 363665 CLEPEPHCSXGSIY-KRWDZBQOSA-N 344.410 4.935 0 40 EJAB C[C@H](O)c1nc2ccccc2n1CCCCOc1ccccc1Cl 1926795 YRNIAPJPOSRNMN-AWEZNQCLSA-N 344.842 4.602 0 40 EJAB Cc1ccc(/C=C/C(=O)Nc2nc(-c3cccs3)cs2)cc1 3357095 BIHNZXMYKCEKGP-CMDGGOBGSA-N 326.446 4.832 0 40 EJAB CCC(CC)Nc1nc(-c2cccnc2)nc2sc(C)c(C)c12 3456261 CXKZKTDLRDVJSH-UHFFFAOYSA-N 326.469 4.971 0 40 EJAB COc1cccc(C(=O)Nc2nc3c(C)c(Cl)ccc3s2)c1 4292200 FHVKMELBYWLFJP-UHFFFAOYSA-N 332.812 4.519 0 40 EJAB C[C@H]1C[C@H](C)CN([C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)C1 4897849 WPSGCUBUKCRVEC-BZSNNMDCSA-N 336.479 4.659 0 40 EJAB CCC(C)(C)NC(=O)c1cc2sccc2n1Cc1ccccc1 4971019 QGUKVZYBDDHEJW-UHFFFAOYSA-N 326.465 4.670 0 40 EJAB COc1cccc(-n2cnnc2S[C@H](C)c2ccccc2Cl)c1 6163601 USKCPVLTYQUGHZ-GFCCVEGCSA-N 345.855 4.783 0 40 EJAB C[C@H](Nc1nc(Cl)nc(Nc2ccc(F)cc2)n1)c1ccccc1 6175522 OGNQWCODCHUIAS-NSHDSACASA-N 343.793 4.581 0 40 EJAB O=C(O)c1cc(/C=C/c2ccc(OC(F)F)cc2)nc2ccccc12 6345124 URKBIQLGHNBDCJ-VMPITWQZSA-N 341.313 4.705 0 40 EJAB Cc1nc(-c2ccsc2)sc1C(=O)NCc1cccc(Cl)c1 7952575 DOUZOOJWMFZTCO-UHFFFAOYSA-N 348.880 4.763 0 40 EJAB CCOc1ccccc1Oc1ncnc2sc3c(c12)CCCC3 8119679 TVTJYIFSFZKOAE-UHFFFAOYSA-N 326.421 4.761 0 40 EJAB CCCc1cc(Nc2cccc(C)c2)n2nc3nc(C)cc(C)c3c2n1 8843999 ZJSWVKVFQHXZFV-UHFFFAOYSA-N 345.450 4.899 0 40 EJAB C[C@@H]1CCCN(C(=O)c2ccccc2SCc2ccccc2)C1 10541730 CIUJMKWWMGPWPI-MRXNPFEDSA-N 325.477 4.851 0 40 EJAB Cc1ccc(-c2nc(C(=O)N3CCCc4ccccc43)cs2)cc1 12793355 WUYCBUMBWIDDQK-UHFFFAOYSA-N 334.444 4.712 0 40 EJAB Cc1ccn2c(NC(=O)c3ccoc3C)c(-c3ccc(F)cc3)nc2c1 12822897 IBMTXEXIWOOERH-UHFFFAOYSA-N 349.365 4.603 0 40 EJAB C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1Cl 13689051 LWQNOCUCTYSLCG-ZDUSSCGKSA-N 325.795 4.899 0 40 EJAB Cc1cc(C)n(-c2ccc(C(=O)Nc3cc(Cl)ccc3F)cc2)n1 14424437 WRHZHYOUTWDYQP-UHFFFAOYSA-N 343.789 4.534 0 40 EJAB CC[C@H](C)c1ccc(NC(=O)Cc2cnn(-c3ccccc3)c2)cc1 14898934 RCTXZUFDNCHXFZ-INIZCTEOSA-N 333.435 4.567 0 40 EJAB c1ccc2c(c1)CSC(SCc1nc(-c3ccsc3)no1)=N2 22022559 JAJVVPDAINEDBK-UHFFFAOYSA-N 345.474 4.966 0 40 EJAB Cc1csc(N(C(=O)Cc2noc3ccccc23)c2ccccc2)n1 28243399 IIYAEPHNTVNSGB-UHFFFAOYSA-N 349.415 4.500 0 40 EJAB Cc1nc2ccc(NC(=O)N(Cc3ccccc3)C3CC3)cc2s1 40103259 FUJOMMMJVPJDNZ-UHFFFAOYSA-N 337.448 4.801 0 40 EJAB Cc1ccc2cc(C(=O)N(Cc3ccc([C@@H]4C[C@H]4C)o3)C3CC3)[nH]c2c1 48303179 FOJDDGVLACLPQJ-RDTXWAMCSA-N 348.446 4.998 0 40 EJAB O=C(O)c1cc(/C=C/c2csc(-c3ccco3)n2)nc2ccccc12 58344363 LMUKITZVDOAXDN-BQYQJAHWSA-N 348.383 4.820 0 40 EJAB Cc1ccc(C)c([C@H](C)NC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)c1 59351461 OTVIJUITKKKGLX-ZWKOTPCHSA-N 325.452 4.565 0 40 EJAB c1ccc(COc2ccc([C@H]3NN=C(c4ccccc4)S3)cc2)cc1 59409102 ZZAWOOSWVCDKLJ-NRFANRHFSA-N 346.455 4.962 0 40 EJAB CC(=O)N(C)c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1 65492543 VQBRKRBEOVOGAW-UHFFFAOYSA-N 344.414 4.589 0 40 EJAB Cc1cc2nc(N[C@@H](c3ncc(C)s3)C3CC3)c3ccccc3n2n1 72301680 CHGSVIJRGAEFGW-QGZVFWFLSA-N 349.463 4.519 0 40 EJAB CCOc1ccc(C(=O)N[C@@H](C)c2cc(C)ccc2C)cc1OCC 78458823 NPHCBPDRBTZCMA-INIZCTEOSA-N 341.451 4.592 0 40 EJAB CC(C)[C@@H](C)NC(=O)c1ccc(OCCSc2ccccc2)cc1 225214904 UTVPBTAUZYVFSI-MRXNPFEDSA-N 343.492 4.632 0 40 EJAB Cc1cccc([C@@H](NC(=O)Cc2ccc(F)cc2)c2ccccc2)c1 225780495 QFFGRTAYQFVWSR-QFIPXVFZSA-N 333.406 4.582 0 40 EJAB CC[C@H](NC[C@@H](O)c1ccc(F)cc1Cl)c1ccc(Cl)cc1 1645085435 CUFUPJXREDDXBF-DLBZAZTESA-N 342.241 4.907 0 40 EJAB Cc1[nH]c2c(C)ccc3c2c1CCN1C(=O)OC2(CCCCC2)[C@]31C 118034 WROBRAPERGCHFE-FQEVSTJZSA-N 338.451 4.711 0 40 EJAB O=C1CS[C@H](c2c[nH]c3ccccc23)N1c1ccc(Cl)cc1 1090899 QYGYWTAXSUDPBS-QGZVFWFLSA-N 328.824 4.600 0 40 EJAB Cc1cccc(OCC(=O)c2sc(-c3ccccc3)nc2C)c1C 1390120 ALMCHAUQEOVVCQ-UHFFFAOYSA-N 337.444 4.997 0 40 EJAB CC(C)(C)c1ccc(Cn2ccc(-c3ccc4c(c3)OCO4)n2)cc1 1394889 CBVQLUKKISGUGV-UHFFFAOYSA-N 334.419 4.625 0 40 EJAB COc1ccc(NC(=O)c2ccc(-c3ccc(OC)cc3)s2)cc1 1396898 WEGBGFQXNMBMLL-UHFFFAOYSA-N 339.416 4.685 0 40 EJAB CCN(CC)c1ccc(NC(=O)CCCOc2cccc(C)c2)cc1 1773817 KUFVMVTZVVGGHY-UHFFFAOYSA-N 340.467 4.639 0 40 EJAB O=C(CCc1c[nH]c2ccccc12)Nc1cccc(C(F)(F)F)c1 2665013 ARBYRLOTPFXZPZ-UHFFFAOYSA-N 332.325 4.758 0 40 EJAB CCCCOc1ccccc1/C=C1\N=C(c2ccc(C)cc2)OC1=O 3016880 UGDIYQZVVZQTPC-JXAWBTAJSA-N 335.403 4.518 0 40 EJAB Cc1ccc(Nc2nnc(SCC(=O)c3ccccc3)s2)cc1 3468401 UJYRHJMFMNRVQJ-UHFFFAOYSA-N 341.461 4.565 0 40 EJAB Cc1cnc(NC(=O)Cc2coc3cc(C)c(C(C)C)cc23)s1 3524299 DSDOWKUYISWXLK-UHFFFAOYSA-N 328.437 4.811 0 40 EJAB Fc1ccc2nc(Nc3nnc(-c4ccc(Cl)cc4)o3)sc2c1 4137798 WRZIZVDDGBZXEZ-UHFFFAOYSA-N 346.774 4.882 0 40 EJAB O=C(NC(c1ccccc1)c1ccccc1)C1(c2ccccc2)CC1 6085037 UXTYTQOIIBHCJR-UHFFFAOYSA-N 327.427 4.624 0 40 EJAB COc1ccc(NC(=S)N(Cc2ccccc2)[C@H](C)C2CC2)cc1 7561135 BDOGBRSDRKWMSN-OAHLLOKOSA-N 340.492 4.693 0 40 EJAB C[C@@H](NC(=O)c1ccccc1C(F)(F)F)c1ccc(Cl)cc1 7644683 FKUKEJDIVOXYQL-SNVBAGLBSA-N 327.733 4.850 0 40 EJAB CCCCC1CCC(C(=O)Nc2nonc2-c2ccccc2)CC1 8869499 SZEHDVVJQVBRPJ-UHFFFAOYSA-N 327.428 4.672 0 40 EJAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(F)cc1F 9141631 LYKGQDBCFXSMSC-UHFFFAOYSA-N 332.133 4.533 0 40 EJAB CCN(C(=O)C1CCCCC1)c1nc2c(s1)CCc1oc(C)cc1-2 12145105 IULHFDARDYDGDD-UHFFFAOYSA-N 344.480 4.743 0 40 EJAB O=C(Nc1ccccc1)Nc1cc(C(F)(F)F)ccc1-n1ccnc1 12558920 QNPUMWWXYCKFCX-UHFFFAOYSA-N 346.312 4.535 0 40 EJAB Cc1ccc2nc(NC(=O)CCC(=O)c3ccc(C)s3)sc2c1 12773221 MBWOHGVXTHJDMF-UHFFFAOYSA-N 344.461 4.576 0 40 EJAB COc1ccc2cc(CN3CCCc4ccccc43)c(Cl)nc2c1 14672789 AZLROEHRIQPITO-UHFFFAOYSA-N 338.838 4.850 0 40 EJAB Cc1cc(NC(=O)C2(c3ccccc3)CCCC2)n(-c2ccccc2)n1 18195001 OYYUPRIYNQWGKJ-UHFFFAOYSA-N 345.446 4.631 0 40 EJAB COc1ccccc1Nc1c(-c2ccccc2O)nc2cc(C)ccn12 35616085 GTNQSDBCVZLUNW-UHFFFAOYSA-N 345.402 4.768 0 40 EJAB Cc1ccc(OCCn2c(C(F)(F)F)nc3ccccc32)cc1C 40231879 DRAOIWMIKKKGSU-UHFFFAOYSA-N 334.341 4.751 0 40 EJAB CCCCc1ccc(NC(=O)[C@@H](CC)Oc2cccc(OC)c2)cc1 44900555 NANKMNDITYFRQD-HXUWFJFHSA-N 341.451 4.834 0 40 EJAB CC(C)c1noc([C@@H](C)Sc2ncc(-c3ccc(F)cc3)[nH]2)n1 48354950 GBAGWCKRXAFCDB-SNVBAGLBSA-N 332.404 4.576 0 40 EJAB C[C@@H](CCc1ccc(O)c(F)c1)NCc1ccc(C(F)(F)F)cc1 58282693 GKDVIPKMORATAQ-LBPRGKRZSA-N 341.348 4.661 0 40 EJAB CCn1c2ccccc2c2cc(NC(=O)Nc3ccccn3)ccc21 58393689 YGJXCDVSKVDHTA-UHFFFAOYSA-N 330.391 4.853 0 40 EJAB CC(C)(C)OC(=O)N1CCCC[C@H]1c1ccc(N2CCCCC2)nc1 72216071 QDJLUTOHNRMJPH-KRWDZBQOSA-N 345.487 4.534 0 40 EJAB Cc1csc([C@@H]2CCCCN2C(=O)C[C@H]2CCc3ccccc32)n1 72285664 HQTWPCIYSFRWBY-AEFFLSMTSA-N 340.492 4.625 0 40 EJAB Cc1ccccc1-c1noc([C@@H](C)Oc2ccc(F)c(Cl)c2)n1 76091490 RFTFITBAFZTVQN-LLVKDONJSA-N 332.762 4.978 0 40 EJAB CCO[C@@H](C)c1nc(CC(=O)N(c2ccccc2C)C(C)C)cs1 96409211 VYAVKXGHWDXIMO-HNNXBMFYSA-N 346.496 4.533 0 40 EJAB COc1cc(C)c([C@@H](C)NC(=O)Cc2ccccc2)cc1C(C)C 223266187 JINUOGSQMQDNOU-MRXNPFEDSA-N 325.452 4.547 0 40 EJAB Cc1ccc(C(=O)NCCSCc2ccc(Cl)cc2)cc1C 225014359 IVAPPIXAAZLGFS-UHFFFAOYSA-N 333.884 4.620 0 40 EJAB O=C(Cc1ccccc1Cl)Nc1ccccc1C(=O)c1ccccc1 225441395 PETWCOIIMIMXHK-UHFFFAOYSA-N 349.817 4.752 0 40 EJAB CC[C@@H](C)c1ccccc1NC(=O)c1ccc(Br)c(N)c1 226265138 RYJGPKKAHRYDFJ-LLVKDONJSA-N 347.256 4.797 0 40 EJAB Cc1ccccc1Cc1nnc(SCc2ccccc2Cl)[nH]1 226299422 PPDXSKYVDUPLFA-UHFFFAOYSA-N 329.856 4.650 0 40 EJAB Cc1ccc(SCCC(=O)N[C@H](C)CCc2ccccc2)cc1 253597440 XVHVCESXSAUFIN-QGZVFWFLSA-N 327.493 4.615 0 40 EJAB O=C(NCc1cc(-c2ccco2)cs1)Nc1ccccc1Cl 1775968667 JUYNPRZSUXJYML-UHFFFAOYSA-N 332.812 4.983 0 40 EJAB O=C1C[C@H](c2ccc(Cl)c(Cl)c2)c2cc3c(cc2N1)CCC3 104580 QWBFZWVEOLRQMX-CYBMUJFWSA-N 332.230 4.956 0 40 EJAB Cc1ccc(C)c(OCC(=O)Nc2cccc(C(F)(F)F)c2)c1C 144596 XQKDVXIAGOMNEU-UHFFFAOYSA-N 337.341 4.648 0 40 EJAB COc1cccc(C(=O)Nc2nc(-c3cc(C)ccc3C)cs2)c1 151148 JOQVASGAHZZVQJ-UHFFFAOYSA-N 338.432 4.688 0 40 EJAB CCOC(=O)c1cc(C)sc1NC(=O)c1ccc(C(C)(C)C)cc1 348528 VARIZABNVAOGKZ-UHFFFAOYSA-N 345.464 4.783 0 40 EJAB COc1cnc(-c2cccc(C(F)(F)F)c2)nc1Oc1ccccc1 1384032 RXZABJLMDVAUSH-UHFFFAOYSA-N 346.308 4.963 0 40 EJAB COc1ccc(CNCC[C@H](C(C)C)[C@@H]2CCOC(C)(C)C2)cc1 2157202 FGCOYXVIXSZYRW-UYAOXDASSA-N 333.516 4.652 0 40 EJAB biogenic CCCCCn1c(-c2ccc(F)cc2)nc2nc3ccccc3nc21 2234537 CJBNEIGKIXDCEI-UHFFFAOYSA-N 334.398 4.976 0 40 EJAB CC(=O)c1sc(NC(=O)c2ccc(-c3ccccc3)cc2)nc1C 4031932 FSFSYVWOWFJRDI-UHFFFAOYSA-N 336.416 4.573 0 40 EJAB O=C(Nc1ccc2cn[nH]c2c1)c1ccc(Oc2ccccc2)cc1 4863931 YWMXWNGJQFWJKD-UHFFFAOYSA-N 329.359 4.608 0 40 EJAB Cc1ccc(Cl)cc1NC(=O)/C=C/C1=Cc2ccccc2OC1 5034455 YFAATMJBPLSDHW-VQHVLOKHSA-N 325.795 4.619 0 40 EJAB CCCCCOc1ccc(NC(=O)c2ccc(OC)c(OC)c2)cc1 5419125 ZYVMJVQIRNCMJG-UHFFFAOYSA-N 343.423 4.525 0 40 EJAB c1ccc(Cc2nnc(SCc3ncc(-c4ccccc4)o3)o2)cc1 6544088 RWSXEZFYSIZFJG-UHFFFAOYSA-N 349.415 4.608 0 40 EJAB CCCC[C@@]1(Cl)C(=O)c2ccccc2N(c2ccccc2)C1=O 6666670 NMJPAKMSCZGHHZ-LJQANCHMSA-N 327.811 4.715 0 40 EJAB CC[C@]12CCC3=C(CCc4cc(OC)ccc43)C1=CC[C@@H]2OC(C)=O 6934528 PPOUPUKRVJUOAF-VXKWHMMOSA-N 338.447 4.847 0 40 EJAB Cc1ccc(NC(=O)COc2ccccc2C(C)(C)C)cc1Cl 8040641 WEMNQTDKGSKQMA-UHFFFAOYSA-N 331.843 4.963 0 40 EJAB CCOc1c(CNC23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)cccc1OC 8253455 XHNMNHBNMMRWDT-NJMHRBNOSA-N 343.511 4.933 0 40 EJAB Cc1cc(C)c(NC(=O)Cc2csc(-c3ccsc3)n2)c(C)c1 12765631 AWIJAEPPRWMKMX-UHFFFAOYSA-N 342.489 4.978 0 40 EJAB Cc1cc(C)cc(NC(=O)Cc2csc(-c3ccsc3)n2)c1 12945244 NPGCQQOAPGQNRR-UHFFFAOYSA-N 328.462 4.670 0 40 EJAB Cc1cccc(C)c1NC(=O)Cc1csc(-c2cccs2)n1 14115254 FWVZCUVYTDJQAR-UHFFFAOYSA-N 328.462 4.670 0 40 EJAB Cc1nn([C@H](C)CC(=O)Nc2ccc(Cl)c(Cl)c2)c(C)c1C 19909172 NAYLISHNJZQXBD-SECBINFHSA-N 340.254 4.705 0 40 EJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCc1ccccc1C 22516478 AQVUIIKHKQLMRJ-HXUWFJFHSA-N 333.431 4.622 0 40 EJAB O=C(NCCC1CCCC1)c1cc(-c2ccncc2)nc2ccccc12 31935088 FTLJLXVZZDXLGH-UHFFFAOYSA-N 345.446 4.607 0 40 EJAB COc1ccc2cc(CNc3ccccc3C(C)=O)c(Cl)nc2c1 32819353 JTUKSZMJHRCHIM-UHFFFAOYSA-N 340.810 4.712 0 40 EJAB CC[C@H](C)c1ccc(NC(=O)c2cccnc2Br)cc1 41107474 PXQIFSYQEHTIAA-NSHDSACASA-N 333.229 4.610 0 40 EJAB CC(C)Oc1ccc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1 44949905 NRYJFVOUIKXQKC-CYBMUJFWSA-N 333.815 4.533 0 40 EJAB CCc1ncc(C(=O)NC(C)(C)c2ccc(Cl)c(Cl)c2)s1 65402287 MAHVWHWETDWMCY-UHFFFAOYSA-N 343.279 4.677 0 40 EJAB O=C(O)c1cccc(Nc2ccnc3c(Cl)cc(Cl)cc23)c1 78401483 VTQRIUVGUUACMB-UHFFFAOYSA-N 333.174 4.983 0 40 EJAB Cc1ccc(-c2nnc([C@H](C)Sc3nc(C)c(C)o3)o2)cc1C 89643330 PCBBXNBKTQXMCC-ZDUSSCGKSA-N 329.425 4.812 0 40 EJAB O=C(Nc1oc2ccccc2c(=O)c1-c1ccccc1)c1ccccc1 101192109 BXYSTMLJDHMBMK-UHFFFAOYSA-N 341.366 4.712 0 40 EJAB CC(=O)[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(C)O)[C@@H]3CC[C@@H]2C1 118934785 XWDRJXANNWFPCX-RZSKGSBASA-N 332.528 4.985 0 40 EJAB CCC[C@H](C)NC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 224895312 HXGLMRUNJNBOPJ-HNNXBMFYSA-N 334.419 4.927 0 40 EJAB CO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCc2ccccc2)cc1 225605758 PBFBSNTYXCAWSV-OAQYLSRUSA-N 341.451 4.655 0 40 EJAB Cc1cccc(C(=O)Nc2ccc(C)c(-c3ccc(C(=O)O)o3)c2)c1 226355897 ZLHPTNIFXWDISA-UHFFFAOYSA-N 335.359 4.514 0 40 EJAB COc1cccc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3OCC[C@H]23)c1OC 409188736 FZDYMUHFJMTKSW-JEBQAFNWSA-N 345.826 4.602 0 40 EJAB CC(C)Oc1ccccc1-c1ccc(C(=O)O)c(CC2CCCC2)n1 585265793 RROWUPWTZGOJIY-UHFFFAOYSA-N 339.435 4.967 0 40 EJAB Cc1c(Cl)cccc1CN1CCC(C(F)(F)F)(C(F)(F)F)C1 1657236131 KSSBJHWWKNXBEY-UHFFFAOYSA-N 345.714 4.965 0 40 EJAB O=C(NCCC(c1ccccc1)c1ccccc1)NCc1ccccc1 1674011581 QPQHBLZLBKMCPH-UHFFFAOYSA-N 344.458 4.708 0 40 EJAB O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1ccccc1Cl 77570 AIZQYZSMTNBROI-UHFFFAOYSA-N 349.777 4.796 0 40 EJAB COc1cccc(-c2nc3cc(NC(=O)c4ccccc4)ccc3o2)c1 352950 BMWFXOFULBANQV-UHFFFAOYSA-N 344.370 4.756 0 40 EJAB CCc1cc2ccccc2nc1SCC(=O)c1cccc(OC)c1 410753 VSAVZTIWMPCJNS-UHFFFAOYSA-N 337.444 4.781 0 40 EJAB Cc1oc2c3c(ccc2c(=O)c1-c1ccc(Cl)cc1)OCCCO3 518453 YBYSUXGMCUJOKE-UHFFFAOYSA-N 342.778 4.583 0 40 EJAB biogenic O=C(Cc1ccc(Cl)c(Cl)c1)N[C@H]1CCCc2ccccc21 3608529 BXMURUVPQAFJKM-KRWDZBQOSA-N 334.246 4.730 0 40 EJAB CCCCc1cc2c(=O)c(-c3ccccc3)coc2cc1OC(C)=O 4026896 WISIYKWCPXAAIY-UHFFFAOYSA-N 336.387 4.728 0 40 EJAB biogenic Cc1ccc(-c2nnc(NC(=O)c3c(F)cccc3Cl)s2)cc1 4079019 LQRXKQJPEGTNJL-UHFFFAOYSA-N 347.802 4.558 0 40 EJAB O=C(COc1ccc(Cl)cc1)Oc1ccc(-c2ccccc2)cc1 4549930 KBDJNAOENZWJKS-UHFFFAOYSA-N 338.790 4.991 0 40 EJAB Cc1ccc(NC(=O)N2CCn3cccc3[C@H]2c2ccccc2)cc1C 4854239 FQEMYMYEGHQOSC-OAQYLSRUSA-N 345.446 4.742 0 40 EJAB Clc1cccc(Cl)c1SCc1nnc(-c2ccco2)o1 6000237 XNIOFNMTSMXZKY-UHFFFAOYSA-N 327.192 4.929 0 40 EJAB CCc1cccc(NC(=O)CCCSc2nc3ccccc3[nH]2)c1 6187372 VAVBZMDZTHRNEO-UHFFFAOYSA-N 339.464 4.636 0 40 EJAB Cc1ccc(Oc2ccc(OCC(=O)NC3CCCCC3)cc2)cc1 6814677 HDVQWWGPTXPNLC-UHFFFAOYSA-N 339.435 4.615 0 40 EJAB CCN(CC)Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1 6891369 GRTYAHGSVULBAZ-UHFFFAOYSA-N 332.447 4.934 0 40 EJAB Cc1ccc(NC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)cc1 7003027 KHSLPYDSQGGTBK-UHFFFAOYSA-N 326.396 4.594 0 40 EJAB Cc1c(Cl)c(CSc2nnc(C3CC3)o2)nc2ccccc12 7289835 GUMHKXJPZUCMHC-UHFFFAOYSA-N 331.828 4.749 0 40 EJAB O=C(N[C@@H](c1ccc(F)cc1)c1cccs1)c1ccc(F)cc1 8393312 YWKRYZWYGVIEIM-KRWDZBQOSA-N 329.371 4.546 0 40 EJAB Cc1ccc(Oc2ccc(NC(=O)CCc3cccnc3)cc2)cc1 9471133 LNAQVAORTAHLAY-UHFFFAOYSA-N 332.403 4.754 0 40 EJAB Cc1nnc(Sc2nc(-c3ccsc3)nc3ccccc23)s1 9484093 RXGKGKDOVDZVCL-UHFFFAOYSA-N 342.474 4.669 0 40 EJAB C[C@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1ccccc1F 12760571 LFFNBSKXSBXBAA-LBPRGKRZSA-N 335.806 4.514 0 40 EJAB O=C(Cc1noc2ccccc12)Nc1ccc2c(c1)Cc1ccccc1-2 12918383 YGPFCHPRGAJDTR-UHFFFAOYSA-N 340.382 4.580 0 40 EJAB CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)c1 14398022 SHTXHPSURAZWOE-CQSZACIVSA-N 345.826 4.565 0 40 EJAB COc1ccc2cc([C@H](C)C(=O)Nc3cc(F)ccc3F)ccc2c1 15581626 HHBXXLKQWSFWDN-LBPRGKRZSA-N 341.357 4.869 0 40 EJAB O=C(NCCC1=CCCCC1)c1ccccc1C(=O)c1cccs1 25717070 PBVDIMUYFHYPOI-UHFFFAOYSA-N 339.460 4.599 0 40 EJAB Cc1nc(CSCCC(=O)Nc2ccccc2C(C)C)cs1 29864679 PJRNIBDYYOMGOX-UHFFFAOYSA-N 334.510 4.837 0 40 EJAB O=C(c1cc2ccccc2[nH]1)N(Cc1c(F)cccc1Cl)C1CC1 32903974 ZMXRAEBBEZWPHZ-UHFFFAOYSA-N 342.801 4.765 0 40 EJAB CC[C@@H](C)C(=O)Nc1cc(NC(=O)Nc2ccccc2)ccc1C 40105192 CHTMXDOKQMSDOM-CYBMUJFWSA-N 325.412 4.624 0 40 EJAB Cc1ccc2nc(C)c(C(=O)Nc3cccc(-c4cnco4)c3)cc2c1 40152467 RKKXLSQTWNSXEU-UHFFFAOYSA-N 343.386 4.759 0 40 EJAB CCCOc1ccccc1NC(=O)N(C)[C@@H](C)c1ccccc1OC 43452369 MNOWXMMHVFMBIL-HNNXBMFYSA-N 342.439 4.709 0 40 EJAB Cc1ccc(O[C@H](C)C(=O)N[C@H](C)c2ccc(C)c(C)c2)c(C)c1 59351398 GCHCJIDKUSZWDW-QZTJIDSGSA-N 325.452 4.565 0 40 EJAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccc(C)cc1)c1ccc(C)cc1 59351787 OXDRRZLGMHFVDE-VQTJNVASSA-N 325.452 4.728 0 40 EJAB CC[C@H](C)Sc1ccc(NC(=O)[C@@H]2CCOC2)c(C(F)(F)F)c1 60306416 SXCDAEOTHDUENZ-WDEREUQCSA-N 347.402 4.571 0 40 EJAB Cc1ccc(O[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1 64982994 BBCDLFSPXLUUBH-CYBMUJFWSA-N 337.341 4.728 0 40 EJAB CC(C)(NCc1nnc(-c2ccccc2)o1)c1ccc(F)cc1Cl 69699105 MHSJAJIHUWQRST-UHFFFAOYSA-N 345.805 4.554 0 40 EJAB Cc1nc(S[C@@H](C(=O)NC2CCCCCCC2)C(C)C)oc1C 95349965 LPQNQLCSQDVFOV-MRXNPFEDSA-N 338.517 4.637 0 40 EJAB Cc1cc2cc(NC(=O)c3c(C)noc3-c3ccccc3)ccc2[nH]1 96012302 XIOLVGCLCGCYJU-UHFFFAOYSA-N 331.375 4.692 0 40 EJAB O=C(CCc1ccccc1F)N(Cc1ccoc1)Cc1cccs1 96120656 KGXHFOOFUDIWOQ-UHFFFAOYSA-N 343.423 4.642 0 40 EJAB CCC[C@@H](C)NC(=O)C12C[C@@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 102813276 YAMUSHNWZGBBAG-UCQMYNMFSA-N 325.496 4.829 0 40 EJAB O=C(c1ccc(F)cc1)N1CCS[C@H](c2ccccc2Cl)CC1 208045921 IFPINRBZLVIPSI-KRWDZBQOSA-N 349.858 4.800 0 40 EJAB CC[C@@H](NC(=O)[C@H](C)Oc1ccc(C)cc1C)c1ccc(C)c(C)c1 219535087 YIEOOEGZMLTKQS-AZUAARDMSA-N 339.479 4.955 0 40 EJAB S=C(NCc1ccc2ccccc2c1)Nc1ccc(Cl)cc1 222822560 GSWWRPLXBUDNFB-UHFFFAOYSA-N 326.852 4.980 0 40 EJAB CC(=O)c1cccc(NC(=O)c2cc3cc4ccccc4nc3s2)c1 223131803 OJXWWDGJHKMFFG-UHFFFAOYSA-N 346.411 4.904 0 40 EJAB CCc1ccccc1NC(=O)[C@H](CC)Oc1ccc2c(c1)CCCC2 223283183 GCVSVVSTLTUQNO-NRFANRHFSA-N 337.463 4.924 0 40 EJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1cccc(COC)c1 224461580 MSNCUWPFQDWXMN-NRFANRHFSA-N 349.430 4.782 0 40 EJAB CC(C)(C)c1ccccc1O[C@@H](Cc1cccc(Cl)c1)C(=O)O 225058608 AQFJNNQQISHIQF-KRWDZBQOSA-N 332.827 4.712 0 40 EJAB COc1ccccc1[C@H](C)NC(=O)CCc1cccc2ccccc12 225850303 PKTNONOWKCOWTF-INIZCTEOSA-N 333.431 4.658 0 40 EJAB CCCCCC(=O)Nc1ccc(Cl)c(-c2ccc(C(=O)O)o2)c1 226352471 SVBPNJTWYJXTMD-UHFFFAOYSA-N 335.787 4.817 0 40 EJAB Cc1ccc(C(C)C)c(OCC(=O)Nc2c(C)cc(N)cc2Cl)c1 227145279 DOJCIGJUNQCMAH-UHFFFAOYSA-N 346.858 4.680 0 40 EJAB Cc1cccn2cc(-c3ccc(N[C@@H](C)c4cc(C)n(C)n4)cc3)nc12 502403265 NZLVHXGVTURIRE-INIZCTEOSA-N 345.450 4.525 0 40 EJAB CC[C@@H](Oc1ccccc1C)c1nnc(C2(c3ccccc3)CC2)o1 1615585484 ATAJLTONPACZGN-QGZVFWFLSA-N 334.419 4.988 0 40 EJAB O=C1c2ccccc2N[C@@H](/C=C/c2ccccc2)N1c1ccccc1 35053 KNWKRQPNAIFZPF-UFBKIKKCSA-N 326.399 4.798 0 40 EJAB Fc1ccc(Nc2nc(Cl)nc(NCCC3=CCCCC3)n2)cc1 53807 GONJLESEDNRFAG-UHFFFAOYSA-N 347.825 4.710 0 40 EJAB CCOc1ccc(/C=C/C(=O)Oc2cc(C)cc(C)c2)cc1OCC 147578 JDOPLRKVDKLNAR-CSKARUKUSA-N 340.419 4.720 0 40 EJAB Cc1ccc(N(C(=O)Nc2ccccc2)C2=NC[C@H](C)S2)cc1 161702 LNSBBWVXFHWVKN-AWEZNQCLSA-N 325.437 4.525 0 40 EJAB CCc1nc2c(c(N3CCCC3)n1)C1(CCCC1)Cc1ccccc1-2 492896 OXVISZULECFNFK-UHFFFAOYSA-N 333.479 4.674 0 40 EJAB CC(C)C(=O)c1cn(CCOc2ccc(F)cc2)c2ccccc12 560888 KZPDLLQWYIKPRX-UHFFFAOYSA-N 325.383 4.698 0 40 EJAB O=C(OCc1ccccc1CN1CCCCC1)c1ccc(Cl)cc1 1716148 NHRSYQTYZCPTML-UHFFFAOYSA-N 343.854 4.683 0 40 EJAB CN(C)c1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)cc1 2742056 UHESWRHLSQVRNM-UHFFFAOYSA-N 344.458 4.913 0 40 EJAB Cc1ccc(NC(=S)NCCNc2cccc3ccccc23)cc1 3356267 QZOGYARLJKPZNR-UHFFFAOYSA-N 335.476 4.547 0 40 EJAB Cc1ccc(COc2ccc3c4c(c(=O)oc3c2C)CCCC4)cc1 3892460 NINDTSLEYQPTGB-UHFFFAOYSA-N 334.415 4.868 0 40 EJAB CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C 4215838 PQCRZWCSVWBYSC-AGRFSFNASA-N 328.452 4.570 0 40 EJAB in-vitro Cc1ccc2sc(NC(=O)c3ccc4ncsc4c3)nc2c1C 4275365 CQVVQYOGNIKRPY-UHFFFAOYSA-N 339.445 4.775 0 40 EJAB Cc1ccc2c3c(ccc2n1)O[C@@]1(C=N3)N(C)c2ccccc2C1(C)C 4707544 FEHJUTRCMLYCKS-JOCHJYFZSA-N 343.430 4.762 0 40 EJAB O=C(N[C@H]1CCOc2ccccc21)c1ccccc1Oc1ccccc1 7214939 QAXYAPHOHFCZEE-IBGZPJMESA-N 345.398 4.733 0 40 EJAB Cc1[nH]c2ccccc2c1C(=O)NCCc1ccc(Cl)cc1Cl 10214599 DIJVWHLMLBEHNK-UHFFFAOYSA-N 347.245 4.756 0 40 EJAB CCOc1ccc(CNC(=O)c2ccc(-c3ccccc3)cc2)cc1 10448518 SIDLLRMNIBEJIC-UHFFFAOYSA-N 331.415 4.682 0 40 EJAB Cc1nc(-c2ccsc2)sc1C(=O)N(C)Cc1cccc(F)c1 12992698 NMKVFOLJBUPCNL-UHFFFAOYSA-N 346.452 4.591 0 40 EJAB O=C(c1ccc(-c2ccccc2Cl)o1)N1CCc2ccccc2C1 17321960 YDLUSETXYJSXDC-UHFFFAOYSA-N 337.806 4.799 0 40 EJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCCC(C)(C)C1 20041068 ZTDCRPMSGAVXGY-OAHLLOKOSA-N 325.905 4.859 0 40 EJAB CCC[C@@H](C)NC(=O)c1ccc(OCCSc2ccccc2)cc1 20046745 TWGBUDGOIOZTMP-MRXNPFEDSA-N 343.492 4.776 0 40 EJAB Cc1cc(C)cc(C(=O)Nc2ccc(N3CCCCC3)c(F)c2)c1 21577753 ITZASOHZIYEQKQ-UHFFFAOYSA-N 326.415 4.685 0 40 EJAB CN(C[C@@H](O)c1ccccc1)[C@@H](c1ccccc1)c1ccc(F)cc1 23238105 AZLVFMJMZBMGFL-YADHBBJMSA-N 335.422 4.581 0 40 EJAB O=C(c1ccc(F)c(F)c1)N(Cc1ccccc1)Cc1ccccc1 28210423 QXJYWKXNVPMJAO-UHFFFAOYSA-N 337.369 4.807 0 40 EJAB CCSc1ccccc1NC(=O)[C@H](C)Sc1ccc(OC)cc1 30859153 CIGAEUDNPFCWRV-ZDUSSCGKSA-N 347.505 4.927 0 40 EJAB CCCSc1nc2sc3c(c2c(=O)n1C1CCCC1)CCC3 32945148 YFPRUSBYBPAYDQ-UHFFFAOYSA-N 334.510 4.564 0 40 EJAB Cc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1-n1cnnc1 45920521 QVORXUKBXLGRLA-UHFFFAOYSA-N 345.189 4.691 0 40 EJAB O=C(Nc1cccc(C(F)(F)F)c1)[C@H](c1ccccc1)n1cccc1 49030942 XXRUTJQAWASLFJ-KRWDZBQOSA-N 344.336 4.735 0 40 EJAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)N[C@@H](C)c1ccc(F)c(F)c1 57293359 BTVBIDFWUVAWBZ-WCQYABFASA-N 342.389 4.677 0 40 EJAB C[C@H]1SCCN(C(=O)Nc2ccccc2CCC(F)(F)F)[C@@H]1C 89920032 JLAHWJFNBRLTQM-VXGBXAGGSA-N 346.418 4.539 0 40 EJAB CC[C@H](N[C@@H](C)c1ccc(-n2ccnc2C)cc1)c1c(C)noc1C 90886533 DAVNJCKUTULPKH-DJJJIMSYSA-N 338.455 4.587 0 40 EJAB Cc1cc(C(=O)CCC(=O)N2CC[C@H](C)[C@H]3CCCC[C@@H]32)c(C)s1 95365041 XHWVWRFMZHGMHN-XCRHUMRWSA-N 347.524 4.755 0 40 EJAB O[C@H](Cn1/c(=N\c2ccccc2)sc2ccccc21)c1ccccc1 100510623 OFRLDPGNAQEPKT-XKXPVHLMSA-N 346.455 4.669 0 40 EJAB Cc1c(C(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)oc2c(Cl)cccc12 108914180 VJCZSCBJRSKIRM-ABHRYQDASA-N 331.843 4.949 0 40 EJAB CC(=O)N[C@@H]1C[C@H](c2ccc(-c3ccccc3C)cc2)O[C@@H]2CCC[C@@H]12 257285263 PGIJLHUJIFFKDQ-WBADGQHESA-N 349.474 4.797 0 40 EJAB COc1cc2c(cc1OC)[C@H](C)N(CCc1ccc(Cl)cc1)CC2 378115 FYWPHUYGVNYFIB-AWEZNQCLSA-N 345.870 4.519 0 40 EJAB Cc1nc(NC(=O)c2cccc3ccccc23)ccc1Br 515037 FXXJUDJNNSLMST-UHFFFAOYSA-N 341.208 4.558 0 40 EJAB COCC(C)(c1cn(C)c2ccccc12)c1cn(C)c2ccccc12 1691937 PENWAJKPJFSFFL-UHFFFAOYSA-N 332.447 4.622 0 40 EJAB O=C(O)[C@@H](Oc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 2041968 CCBZOSVVOXNAHJ-ZDUSSCGKSA-N 331.582 4.852 0 40 EJAB O=C(Nc1c(Cl)cccc1Cl)C(C(F)(F)F)C(F)(F)F 2765451 FSRDPDIUUIULBU-UHFFFAOYSA-N 340.050 4.673 0 40 EJAB biogenic O=C(Nc1cccc(C(F)(F)F)c1)c1cc(-c2ccccc2)no1 4060169 NIQWNGKTPGWICU-UHFFFAOYSA-N 332.281 4.613 0 40 EJAB CCC(CC)n1nc(O)c2c1N=C(O)CS[C@@H]2c1ccc(C)cc1 5642642 FMKHFVBCPACZHA-MRXNPFEDSA-N 345.468 4.682 0 40 EJAB C[C@H](NC(=O)C1CCC(C(C)(C)C)CC1)c1nc2ccccc2[nH]1 6381859 DHUOHPHMXNEWIH-NFOMZHRRSA-N 327.472 4.593 0 40 EJAB FC(F)(F)c1cccc(OCc2nc3cc(Cl)ccc3[nH]2)c1 6566840 YZXBHNMJIISJQF-UHFFFAOYSA-N 326.705 4.814 0 40 EJAB CCCSc1nc2ccccc2c(=O)n1-c1ccccc1Cl 8282609 RRCRZJWKTUENJC-UHFFFAOYSA-N 330.840 4.541 0 40 EJAB O=C(CCc1ncc(-c2ccccc2F)o1)Nc1ccc(Cl)cc1 8728744 MZKNPNBWQPSOHI-UHFFFAOYSA-N 344.773 4.705 0 40 EJAB COc1cccc(NC(=O)c2ccccc2SCc2ccco2)c1 9154742 GLNBOXXWEPRZTD-UHFFFAOYSA-N 339.416 4.833 0 40 EJAB Cc1nc2cc(N[C@H](C)C(=O)Nc3ccc(C(C)C)cc3)ccc2o1 12536561 ZGVOQMRYVHINLS-CYBMUJFWSA-N 337.423 4.699 0 40 EJAB C[C@H]1CCCCN1c1ccc(NC(=O)c2cccc(Cl)c2)cc1 14268886 AQKXWSMULZQSPS-AWEZNQCLSA-N 328.843 4.971 0 40 EJAB O=C(CCCCCCCCc1ccccc1)c1c(O)cc(O)cc1O 14652564 OOGZWXIAHJKVAH-UHFFFAOYSA-N 342.435 4.960 0 40 EJAB biogenic,in-vitro Cc1ccc(NC(=O)CCC(=O)c2ccc(Cl)cc2)cc1Cl 15415322 MNXGTFCGYACFCO-UHFFFAOYSA-N 336.218 4.903 0 40 EJAB O=C(Nc1ccccc1SCc1ccsc1)c1ccncc1 15720095 KTMSCHFBBBDYQE-UHFFFAOYSA-N 326.446 4.688 0 40 EJAB Cc1cc(-c2ccc(CNCc3ccco3)o2)ccc1Br 20875854 OSXUEBVVELBLJI-UHFFFAOYSA-N 346.224 4.900 0 40 EJAB Clc1ccccc1CN1CCC[C@@H](c2nc3ccccc3[nH]2)C1 22852722 LJCOSZWKFZCOAV-OAHLLOKOSA-N 325.843 4.596 0 40 EJAB Cc1nc(-c2ccc(NC(=O)Cn3c(C)cc4ccccc43)cc2)co1 23182853 KMFBNDXCIIYPQJ-UHFFFAOYSA-N 345.402 4.552 0 40 EJAB CC(C)(C)OC(=O)N1CCC[C@H](Nc2ccc3ccccc3c2)C1 26898207 FQADORSLRBRGDM-SFHVURJKSA-N 326.440 4.651 0 40 EJAB Cc1ccc2c(c1)-c1nc(C3CC3)nn1[C@@H](c1ccc(Cl)cc1)N2 40156518 QRMMWUVWLRFKKG-SFHVURJKSA-N 336.826 4.757 0 40 EJAB Cc1ccc(CCCC(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1 44383152 WHDADWZHJIUTEB-HXUWFJFHSA-N 347.462 4.558 0 40 EJAB CC[C@@H](NC(=O)[C@H](C)Sc1ccc(OC)cc1)c1ccc(C)cc1 44901684 LVYXDSBSJHASSB-HNAYVOBHSA-N 343.492 4.752 0 40 EJAB Cc1ccsc1[C@@H]1SCC(O)=Nc2c1cnn2-c1ccccc1 44919931 YSACLSZFLZCJKI-MRXNPFEDSA-N 341.461 4.666 0 40 EJAB CCN(CC)c1ccc(NC(=O)Nc2cccc(F)c2C)c(C)c1 57405866 WJDBCOUFEXWGEF-UHFFFAOYSA-N 329.419 4.933 0 40 EJAB Clc1ccc(C2(c3nc(C4CCCCC4)no3)CCOCC2)cc1 69972746 GHJPWZYPFBWTKX-UHFFFAOYSA-N 346.858 4.867 0 40 EJAB Cc1ccc2cc3c(nc2c1C)OC(=O)N(Cc1cccc(F)c1)C3 72396343 ORPLVAMVILRWNM-UHFFFAOYSA-N 336.366 4.505 0 40 EJAB C[C@H]1C[C@@H]1c1ccc(CN(C)Cc2coc(-c3cccc(F)c3)n2)o1 84688945 LCNSCOUFSKTQAA-UGSOOPFHSA-N 340.398 4.829 0 40 EJAB COc1nc2cc(Br)ccc2cc1Cc1ccccc1 90555740 YWOHBUGQXMWRNB-UHFFFAOYSA-N 328.209 4.597 0 40 EJAB COC(=O)c1cccc(CSc2ccc(Br)cc2)c1 95836281 JFUMHZKTLNPVBH-UHFFFAOYSA-N 337.238 4.528 0 40 EJAB C[C@H]1CCCCN1C(=O)c1ccc2ccc(N(C)c3ccccc3)n2c1 96146190 IRAVUYKRRFKHEC-KRWDZBQOSA-N 347.462 4.722 0 40 EJAB CC(=O)C(C(C)=O)[C@@H](Sc1ccc(Cl)cc1)c1ccccc1 101403613 CPXUSZXPSRKMHS-SFHVURJKSA-N 332.852 4.968 0 40 EJAB CC1=C[C@H](C)[C@@H](CN(CCO)C[C@H]2[C@@H](C)C=C(C)C[C@@H]2C)[C@@H](C)C1 102136015 KUFAUZJRIITNBN-KKFDQILXSA-N 333.560 4.758 0 40 EJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N(C)Cc1ccc(C)cc1 216444647 FYZKFWOIOXNOTC-JOCHJYFZSA-N 347.458 4.964 0 40 EJAB Cc1c(Cl)cnc(NC(=S)N[C@H](C)c2ccccc2)c1Cl 223955688 ICYCPUIRIQIDGG-SNVBAGLBSA-N 340.279 4.744 0 40 EJAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccc(F)c(Cl)c1 224309112 ITEAEWCOHSOVII-GFCCVEGCSA-N 347.817 4.764 0 40 EJAB Cc1ccc(S[C@H](C)C(=O)Nc2ccc(-c3cnco3)cc2)cc1 511227716 DGBMFDLBDTWACK-CQSZACIVSA-N 338.432 4.769 0 40 EJAB CC(C)(C)C(=O)N1CCCC[C@@H]1c1ncc(Cc2ccccc2F)o1 585261101 GFCLLQGWOWGROM-QGZVFWFLSA-N 344.430 4.504 0 40 EJAB CCc1cc2ccccc2nc1SCC(=O)Nc1ccc(C)cc1 413298 SPRCLHPRVVJQQV-UHFFFAOYSA-N 336.460 4.836 0 40 EJAB CSc1ncccc1C(=O)Oc1ccc2oc3ccccc3c2c1 3362671 LNKGMRCHCBCTAG-UHFFFAOYSA-N 335.384 4.922 0 40 EJAB CC(C)Nc1cc(-c2ccccc2)nc2c(-c3ccccc3)cnn12 5322002 BZNABCBPHUXTQI-UHFFFAOYSA-N 328.419 4.884 0 40 EJAB COc1cccc2cc(/C=C/c3cc(C(=O)O)c4ccccc4n3)oc12 5825530 IEPJLDZSGVPCDJ-MDZDMXLPSA-N 345.354 4.858 0 40 EJAB CC(=O)Nc1ccc(SCC(=O)c2cc(C)n(C(C)C)c2C)cc1 6919772 RKCYUINKKYUCTG-UHFFFAOYSA-N 344.480 4.619 0 40 EJAB CCOc1ccccc1NC(=O)c1csc(-c2ccc(F)cc2)n1 7920456 XUFONNYYUASYDA-UHFFFAOYSA-N 342.395 4.600 0 40 EJAB O=C1CCCN1c1ccc(-c2csc(Cc3ccccc3)n2)cc1 8316248 QVCCAVMYRMNFDB-UHFFFAOYSA-N 334.444 4.528 0 40 EJAB C[C@H](c1ccccc1)N(C)C(=O)c1csc(-c2cccs2)n1 8404824 WEBAAGROLOGUQB-GFCCVEGCSA-N 328.462 4.705 0 40 EJAB CCc1nc(CN2CCc3sccc3[C@@H]2c2ccccc2)cs1 12768409 PJNSFWPERYFAGA-IBGZPJMESA-N 340.517 4.915 0 40 EJAB C[C@@H](c1ccccc1)N(C)C(=O)c1cccc(NC(=O)C(C)(C)C)c1 12781476 QQOAXKHGFVXUEU-HNNXBMFYSA-N 338.451 4.504 0 40 EJAB CC(C)(C)c1cc(NC(=O)[C@@H]2CC=CCC2)n(Cc2ccccc2)n1 12797029 VFQYJESRPVJQPF-QGZVFWFLSA-N 337.467 4.524 0 40 EJAB Cc1[nH]c2ccccc2c1-c1csc(NC(=O)c2ccoc2C)n1 14165350 PBWPSRUOBLUEEG-UHFFFAOYSA-N 337.404 4.754 0 40 EJAB O=C(/C=C\c1ccccc1)Nc1c(-c2cccs2)nc2ccccn12 17178085 YCVMBCGFILUIHG-QXMHVHEDSA-N 345.427 4.715 0 40 EJAB Cc1ccc(N(Cc2ccco2)C(=O)Cc2noc3ccccc23)cc1 19358090 UYAZDOKOKBMGPU-UHFFFAOYSA-N 346.386 4.505 0 40 EJAB Cc1ccc(C(=O)Nc2cccc(-c3ccc(CO)o3)c2)c(Cl)c1 20139419 ADRHOZLYRKINGN-UHFFFAOYSA-N 341.794 4.653 0 40 EJAB Cc1cc(C)c2oc(-c3ccc(O)c(Br)c3)cc(=O)c2c1 20272618 PKWNUOFSXKEGGT-UHFFFAOYSA-N 345.192 4.545 0 40 EJAB CC1CCN(Cc2ccc(C(=O)Nc3cccc(Cl)c3)cc2)CC1 20490818 UQAWOYSLLJVEPP-UHFFFAOYSA-N 342.870 4.824 0 40 EJAB Cc1cc(Nc2ccccc2)nc(COc2ccccc2Cl)n1 20765518 VUSNRZVZLAHJGU-UHFFFAOYSA-N 325.799 4.761 0 40 EJAB CC[C@@H](NC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1)c1ccccc1 22527011 FLGMUJQMXXKFTH-MAUKXSAKSA-N 345.870 4.992 0 40 EJAB CC1(C)CCCN(C(=O)CSCc2ccc(Cl)c(Cl)c2)C1 30861887 FEWSRABKKLACNZ-UHFFFAOYSA-N 346.323 4.875 0 40 EJAB COc1ccc(Cl)cc1C(=O)N(C)[C@@H](C)c1cc2ccccc2o1 32754293 PBRASEUULXDKLD-LBPRGKRZSA-N 343.810 4.928 0 40 EJAB COc1cccc(C(=O)Nc2ccc(OCc3cccs3)cc2)c1 32930526 PDMUUEUDPZNIQJ-UHFFFAOYSA-N 339.416 4.588 0 40 EJAB C[C@@H](NC(=O)c1ccc(Cl)cc1F)c1cccc(OC(F)F)c1 32931093 IIJMUIOBHNBGAC-SECBINFHSA-N 343.732 4.572 0 40 EJAB Cc1ccc(C(N)=O)c(OCc2sc3ccccc3c2Cl)c1 40024561 MAQBEFKNLYSNAM-UHFFFAOYSA-N 331.824 4.541 0 40 EJAB CC[C@@H](NC(=O)[C@H](C)Oc1ccc(C)cc1C)c1ccc(C)cc1 59351838 ONMAEWBRNWCCSL-PKOBYXMFSA-N 325.452 4.647 0 40 EJAB CCN(Cc1ccncc1)c1ccc(Br)cc1Cl 95915848 FZCXJNGNNPCDSS-UHFFFAOYSA-N 325.637 4.524 0 40 EJAB O=C(Nc1ccccc1)c1nnc(/C(Cl)=C\c2ccsc2)s1 96947720 UPZJNCSTRJPTQO-XYOKQWHBSA-N 347.852 4.589 0 40 EJAB Cc1c(C(=O)N[C@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)oc2c(Cl)cccc12 102282538 VJCZSCBJRSKIRM-RGCMKSIDSA-N 331.843 4.949 0 40 EJAB CC[C@H](NC(=O)[C@H](C)Oc1cc(C)cc(C)c1)c1ccc(C)c(C)c1 219550963 SKBDABPMGZAYED-RXVVDRJESA-N 339.479 4.955 0 40 EJAB CCc1ccc(CC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1 223982200 LEXZFNWFNRAYNF-UHFFFAOYSA-N 343.426 4.661 0 40 EJAB CCCO[C@@H](Cc1cc(Cl)ccc1Oc1ccccc1)C(=O)O 225135120 XMFGIQDSDDZBQM-KRWDZBQOSA-N 334.799 4.555 0 40 EJAB Cc1ccc(NC(=S)N[C@H]2CC(C)(C)Oc3ccccc32)cc1 225574895 GPYVSJDMROQCQA-INIZCTEOSA-N 326.465 4.584 0 40 EJAB O=C(CCc1ccccc1F)Nc1ccc(OC2CCCC2)cc1 225747017 VGVXHQIHBXVLAF-UHFFFAOYSA-N 327.399 4.718 0 40 EJAB O=C(Nc1nc(C2CC2)cs1)c1ccc(Oc2nccs2)cc1 238864797 LNLFHRSDAAZXQR-UHFFFAOYSA-N 343.433 4.522 0 40 EJAB CC1(C)C(c2ccccc2)=Nc2nonc2N[C@@]1(C)c1ccccc1 408721507 ITGZCQDIIJKZCS-FQEVSTJZSA-N 332.407 4.558 0 40 EJAB C[C@H](Nc1ccc(-c2cn3ccccc3n2)cc1)c1ccncc1F 551127356 ZNOXCTYXYHERAD-AWEZNQCLSA-N 332.382 4.709 0 40 EJAB CC(C)OC(=O)c1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1 117717 SLXNOZUGCVDUGS-LFYBBSHMSA-N 343.810 4.557 0 40 EJAB O=C(Nc1nc(-c2ccc(Oc3ccccc3)cc2)cs1)C1CC1 180477 BMMUSNYVDOFMLD-UHFFFAOYSA-N 336.416 4.951 0 40 EJAB CCCc1nc2ccccc2c(=O)n1-c1c(Cl)cccc1Cl 383838 ROAWTVMPBDXHRS-UHFFFAOYSA-N 333.218 4.645 0 40 EJAB Cc1ccc(NC(=O)Cn2cc(C(=O)C(C)C)c3ccccc32)c(C)c1 560767 KAVKYHAGIDBWBP-UHFFFAOYSA-N 348.446 4.736 0 40 EJAB CCOc1cc(C=O)c(Br)cc1OCc1ccc(C)cc1 587786 CBZWBZSQAXXENO-UHFFFAOYSA-N 349.224 4.548 0 40 EJAB CCc1nc(Nc2cccc(Cl)c2)c2cnn(-c3ccccc3)c2n1 1576948 OXFWMQVBOPWXSU-UHFFFAOYSA-N 349.825 4.775 0 40 EJAB C[C@@H]1CC(C)(C)N2C(=O)[C@]3(Nc4ccccc4S3)c3cccc1c32 2352458 BFQJGJYTDOYXDQ-ODXCJYRJSA-N 336.460 4.690 0 40 EJAB CC(=O)c1cccc(NC(=O)c2cccc(Oc3ccccc3)c2)c1 3216022 NVPQDUQXLPTWLS-UHFFFAOYSA-N 331.371 4.934 0 40 EJAB O=C(Nc1nc2c(s1)Cc1ccccc1-2)c1ccc2ncsc2c1 4224312 LDVMHNZRCAFINX-UHFFFAOYSA-N 349.440 4.576 0 40 EJAB Cc1ccccc1CSc1nnc(NC(=O)C2CCCCC2)s1 4328213 LUCMOMCAKPFBCX-UHFFFAOYSA-N 347.509 4.658 0 40 EJAB Cn1cc(NC(=O)N2CCC(Cc3ccccc3)CC2)c2ccccc21 5265568 TUFNAEFYTODQIJ-UHFFFAOYSA-N 347.462 4.665 0 40 EJAB Brc1ccccc1-c1n[nH]c(SCc2ccccc2)n1 7252200 IAIHVLNJFSFUML-UHFFFAOYSA-N 346.253 4.527 0 40 EJAB CSc1ccc(CN(C)CC(=O)Nc2ccccc2C(C)C)cc1 8066292 YMPHOQUORPMLTJ-UHFFFAOYSA-N 342.508 4.602 0 40 EJAB O=C(Nc1ccccc1)Nc1ccc(OCCOc2ccccc2)cc1 8723188 HFZHQDBVLDDYCJ-UHFFFAOYSA-N 348.402 4.788 0 40 EJAB FC(F)(F)c1cc(Cl)c2nnc(-c3ccc(Cl)cc3)n2c1 8925782 UFSAXVRSJRXDOL-UHFFFAOYSA-N 332.112 4.722 0 40 EJAB O=C(CSc1ccccn1)c1ccc([C@@H]2CC2(Cl)Cl)cc1 9146281 MAPYXMJKLBFWNC-ZDUSSCGKSA-N 338.259 4.718 0 40 EJAB CC(=O)Nc1ccc(C(C)=O)cc1OCc1cccc2ccccc12 14129427 DPIHELFPQMQFMW-UHFFFAOYSA-N 333.387 4.580 0 40 EJAB FC(F)(F)c1nc(N[C@@H]2CCOc3ccccc32)c2ccccc2n1 14169293 YFLZHIQAOWGUOQ-CQSZACIVSA-N 345.324 4.584 0 40 EJAB CC(=O)Nc1nsc2nc(-c3ccccc3)cc(-c3ccccc3)c12 15086122 BUGDUQWONRKHSC-UHFFFAOYSA-N 345.427 4.984 0 40 EJAB CC(C)Oc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 15511660 ZEGKZANMPLBHAJ-UHFFFAOYSA-N 339.313 4.625 0 40 EJAB CC[C@H](Oc1ccccc1[C@@H](C)CC)C(=O)Nc1cc(N)ccc1F 19736796 QOMYZJZKWZAJTE-UGSOOPFHSA-N 344.430 4.718 0 40 EJAB CCc1cccc(CC)c1NC(=O)CSCc1ccccc1F 23410879 WVVWRGLQCBWBFF-UHFFFAOYSA-N 331.456 4.822 0 40 EJAB O=C(c1cccc(C(F)(F)F)c1)N1CCC(Cc2ccccc2)CC1 28210479 SRANEPVJUHFHFA-UHFFFAOYSA-N 347.380 4.800 0 40 EJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1SC 30854124 SEXURHPKBXALBL-OAHLLOKOSA-N 335.856 4.858 0 40 EJAB Cc1noc(C)c1C(=O)N[C@H](c1ccccc1)c1cc2ccccc2o1 39535613 LBQUVXSEUDQSKX-HXUWFJFHSA-N 346.386 4.557 0 40 EJAB O=[S@](Cc1cccc(Cl)c1)Cc1csc(-c2ccco2)n1 69456378 SSEPKUHHTJXXBU-NRFANRHFSA-N 337.853 4.505 0 40 EJAB CC(C)(C)OC(=O)N1CCC[C@H]1c1ccc(Nc2ccccc2)nc1 72214076 QOALNQYZKSTXGL-KRWDZBQOSA-N 339.439 4.897 0 40 EJAB CCSc1ccc([C@@H]2CCCN2C(=O)OCc2ccccc2)cn1 72217116 LBWCCDYRQWQCMN-KRWDZBQOSA-N 342.464 4.667 0 40 EJAB Cc1cccc(CN2CCC[C@H]2c2nnc(-c3ccc(C)s3)o2)c1 72390178 BCJDKWUPLBZAFL-INIZCTEOSA-N 339.464 4.752 0 40 EJAB CC(C)(C)[C@H](NC(=O)N1CCc2sccc2C1)c1cccs1 80042511 BYLJKPOUZVNXQM-OAHLLOKOSA-N 334.510 4.665 0 40 EJAB Cc1ccc([C@@H](NCc2cccc3c2OCCCO3)C2CCCC2)o1 95462846 LGBCNMMUICBZAQ-FQEVSTJZSA-N 341.451 4.770 0 40 EJAB CC[C@H](NC(=O)[C@H](C)Oc1ccc(C)cc1C)c1ccc(C)c(C)c1 219535158 YIEOOEGZMLTKQS-ICSRJNTNSA-N 339.479 4.955 0 40 EJAB O=C(CCc1cccc2ccccc12)NCCSc1ccccc1 222660409 CZTVUXRCXHWDDG-UHFFFAOYSA-N 335.472 4.681 0 40 EJAB CCc1ccc([C@@H](C)NC(=O)[C@@H](C)SCc2ccccc2)cc1 225494869 VKVQIMYVJHBVNH-HZPDHXFCSA-N 327.493 4.748 0 40 EJAB CCC1(CC)C[C@@H](NC(=O)c2ccccc2F)c2ccccc2O1 225502679 XSFRLDWMDKGEJZ-QGZVFWFLSA-N 327.399 4.638 0 40 EJAB CCCO[C@@]1(C(=O)Nc2ccc(OCC)c(C)c2)CCC[C@@H](C)C1 225664896 IIFPFURGSKSKGG-QRWLVFNGSA-N 333.472 4.708 0 40 EJAB CCCO[C@]1(C(=O)Nc2cc(C)c(OC)c(C)c2)CCC[C@H](C)C1 225666027 UFQNOWVWKIPTLL-VBKZILBWSA-N 333.472 4.626 0 40 EJAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1ccccc1F 225677617 PKEBAQZPADPGHA-MRXNPFEDSA-N 344.455 4.723 0 40 EJAB CCCCOc1ccc(NC(=O)[C@](C)(CCC)OC)c2cccnc12 225884699 NXCAUNLVIFUNIP-FQEVSTJZSA-N 344.455 4.557 0 40 EJAB Cc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c(C)n1C1CC1 409131022 MPRMAWNKWIXKGC-BOPFTXTBSA-N 338.432 4.681 0 40 EJAB Cc1cc(CN2CCCCC[C@@H]2/C=C/c2ccccc2)oc1C(=O)O 571172295 SYXGTTYMIKGWPP-IENJSVCTSA-N 339.435 4.744 0 40 EJAB CCOc1ccc2nc(SCC(=O)c3ccccc3)c(C)cc2c1 411902 WWUADRPULMVGOK-UHFFFAOYSA-N 337.444 4.917 0 40 EJAB COc1cc(NC(=O)c2c(F)cccc2F)c(Cl)cc1Cl 1392298 RHIKOVLRLSSYKP-UHFFFAOYSA-N 332.133 4.533 0 40 EJAB Cc1nn(C(=O)CCc2ccccc2)c(C)c1Sc1ccccc1 3236379 IVCXXHLOSZCKOF-UHFFFAOYSA-N 336.460 4.924 0 40 EJAB CCN(CC)c1ccc(NC(=O)CNc2cccc(Cl)c2C)cc1 3321734 NIPJLNMYJAXNDD-UHFFFAOYSA-N 345.874 4.545 0 40 EJAB O=C(Nc1c(C(=O)c2ccc(F)cc2)oc2ccccc12)c1ccco1 3655408 HFEVNYDKHYYBOU-UHFFFAOYSA-N 349.317 4.648 0 40 EJAB Clc1ccc(OCCn2c([C@H]3CCCO3)nc3ccccc32)cc1 4386874 GDZOUSMZUPCUTB-GOSISDBHSA-N 342.826 4.620 0 40 EJAB CC(=O)NCC[C@@H]1[C@H](c2c(C)[nH]c3c2ccc2ccccc23)C1(C)C 5477731 LXJVNXPZQCZABX-UYAOXDASSA-N 334.463 4.895 0 40 EJAB C[C@H](Nc1ccc(Oc2ccccc2)cc1)C(=O)NCc1ccccc1 7224719 PTYGXVZAYXFHLG-KRWDZBQOSA-N 346.430 4.596 0 40 EJAB CNc1nc(-c2ccccc2)c(-c2ncc(C)c(OC)c2C)s1 8715586 BDWHBWRFPAGKPA-UHFFFAOYSA-N 325.437 4.539 0 40 EJAB Cc1ccc(-c2noc(CCCC(=O)Nc3ccc(C)c(C)c3)n2)cc1 9196482 WAKALSQRVZLYBN-UHFFFAOYSA-N 349.434 4.623 0 40 EJAB c1csc(-c2noc(CSCc3nc4ccccc4s3)n2)c1 12552498 LCZPCBVTBSZNSV-UHFFFAOYSA-N 345.474 4.841 0 40 EJAB CC(C)(C)c1cc(CCC(=O)N2CCCCC2)cc(C(C)(C)C)c1O 12783969 VQEADWQSBNCCPQ-UHFFFAOYSA-N 345.527 4.932 0 40 EJAB COc1cccc(NC(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)c1 12806329 UVEOTUXWCJWIGR-ZDUSSCGKSA-N 334.419 4.554 0 40 EJAB COc1cccc(NC(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)c1 13048496 IXJWLHHFOODMFP-NSHDSACASA-N 338.329 4.597 0 40 EJAB Cc1cccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c1 13669719 FXFKGLCLXZRRSJ-DLBZAZTESA-N 339.479 4.937 0 40 EJAB C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(Cl)cc1 13689059 MHDFZUNJDBZFHR-ZDUSSCGKSA-N 325.795 4.899 0 40 EJAB COc1ccc(CNCc2ccc(-c3ccccc3Cl)o2)cc1 17310333 BUOXCICQQOPRAB-UHFFFAOYSA-N 327.811 4.898 0 40 EJAB CCSc1ccccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1 44844859 YHSYNJIUYYPPBE-GFCCVEGCSA-N 335.856 4.858 0 40 EJAB Cc1ccc(NC(=O)[C@H](c2ccc(Cl)cc2)N2CCCCC2)cc1 57049688 XRXSAOYZUCDCSA-IBGZPJMESA-N 342.870 4.814 0 40 EJAB CCN(c1ccc(C(=O)Nc2c(C)nn(C(C)C)c2C)cc1)C(C)C 69519986 ACPDTKMJMDXPOC-UHFFFAOYSA-N 342.487 4.568 0 40 EJAB Cc1ccc(C(=O)Nc2cc(Cl)c(N)cc2Cl)cc1Cl 72229443 QVROKSWZVXFWTR-UHFFFAOYSA-N 329.614 4.790 0 40 EJAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1ccc(Br)cc1Cl 102311396 ZJZJTRPNAOTIGK-DCAQKATOSA-N 342.664 4.867 0 40 EJAB Cc1ccc(O[C@H](C)C(=O)NCCCc2ccc(C(C)C)cc2)cc1 218975375 BGCPJJXIKCNZKG-GOSISDBHSA-N 339.479 4.635 0 40 EJAB CCSc1ccccc1NC(=O)[C@H](C)Oc1cc(C)cc(C)c1 219547447 NEVIJSYPDHAMEG-HNNXBMFYSA-N 329.465 4.821 0 40 EJAB O=C(Nc1ccc(F)cc1F)c1cc2cc3ccccc3nc2s1 223129994 MDNIHBHDAHFAPC-UHFFFAOYSA-N 340.354 4.980 0 40 EJAB COc1ccc(C(=O)Nc2ccccc2)cc1COCc1ccccc1 224458595 DNRIVSMSWMJDAE-UHFFFAOYSA-N 347.414 4.664 0 40 EJAB CCOc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1C 224894662 DYMQQKSAAIVMLD-UHFFFAOYSA-N 339.313 4.545 0 40 EJAB O=C(Cc1ccc(Cl)cc1F)Nc1ccc(N2CCCCC2)cc1 224978146 GQJRRXOVLMDSTF-UHFFFAOYSA-N 346.833 4.651 0 40 EJAB Cc1ccc2c(c1)[C@H](NC(=S)Nc1cccc(F)c1)CC(C)(C)O2 225673935 RHVMQMAUGAFKQC-MRXNPFEDSA-N 344.455 4.723 0 40 EJAB CCc1cc(Br)cc(C)c1NC(=O)c1ccc(C)cc1 226097340 FMDRJWGIEUCFKT-UHFFFAOYSA-N 332.241 4.881 0 40 EJAB C[C@@H](CCc1ccccc1)NC(=O)/C(=C/c1ccco1)c1ccccc1 408574024 HKSDOYWBUXUIIW-VJWQYWRGSA-N 345.442 4.958 0 40 EJAB O=C(NC[C@H](c1ccsc1)c1ccco1)c1ccc(Cl)s1 618257151 SJHUEERBKVBEIL-LLVKDONJSA-N 337.853 4.618 0 40 EJAB Cc1ccccc1C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 387057 VESZTSUVRXSMCB-UHFFFAOYSA-N 333.416 4.624 0 40 EJAB CCc1cc2ccccc2nc1SCC(=O)Nc1ccc(F)cc1 413251 QAORGLOGYUXIOJ-UHFFFAOYSA-N 340.423 4.667 0 40 EJAB O=C(Nc1cccc(-c2nc3ncccc3o2)c1)c1ccccc1Cl 802278 DULORNUZIIAKGI-UHFFFAOYSA-N 349.777 4.796 0 40 EJAB Cc1cc(-c2ccccc2)nc(Cl)c1S(=O)(=O)c1ccccc1 1393811 BGCZYRWYSYLRLL-UHFFFAOYSA-N 343.835 4.543 0 40 EJAB CCOC(=O)c1oc2ccccc2c1NC(=O)c1cccc(Cl)c1 4162607 QDWRMKVYWYLFQJ-UHFFFAOYSA-N 343.766 4.515 0 40 EJAB COc1ccc(-c2nn(CNc3ccc(C)cc3C)c(=S)o2)cc1 4546273 DIOGEDCITJXPNW-UHFFFAOYSA-N 341.436 4.568 0 40 EJAB O=C(Nc1ncnc2sccc12)c1ccccc1Oc1ccccc1 5299481 BEQJCYJSVKCDHC-UHFFFAOYSA-N 347.399 4.736 0 40 EJAB Cc1ccnc(N[C@H](c2ccc(Cl)cc2)n2nc(C)cc2C)c1 5748612 IQPKXBNXMQCSRI-SFHVURJKSA-N 326.831 4.516 0 40 EJAB Cc1cc(OCC(=O)Nc2ccc(OC(C)C)cc2)cc(C)c1Cl 5749888 IBYRQXNKAXKWEC-UHFFFAOYSA-N 347.842 4.762 0 40 EJAB CCOc1ccc(N[C@H](C)C(=O)Nc2ccc3ccccc3c2)cc1 5934574 JDZYKWGHERFORO-OAHLLOKOSA-N 334.419 4.678 0 40 EJAB Cc1ccc(CN(C)C(=O)C(c2ccccc2)c2ccccc2)cc1 6376114 AHDNEEVWDQMUQI-UHFFFAOYSA-N 329.443 4.786 0 40 EJAB COc1ccccc1-n1c(Cc2cccc3ccccc23)n[nH]c1=S 6625305 VVCAREDRQIXYSU-UHFFFAOYSA-N 347.443 4.682 0 40 EJAB CC(=O)c1ccc(NC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)cc1 6881537 QJUBIHINYDLIDY-SFHVURJKSA-N 329.827 4.921 0 40 EJAB CCCCn1nc(C)c(C(=O)Nc2ccc(Cl)cc2)c1Cl 7940995 JJSASLMPJTUTTN-UHFFFAOYSA-N 326.227 4.551 0 40 EJAB CCOc1cc(CNCc2ccc(F)cc2)cc(Cl)c1OCC 8253903 CDNRRSIRADXYLV-UHFFFAOYSA-N 337.822 4.566 0 40 EJAB COc1ccc(C(=O)N2c3ccccc3COC23CCCCC3)cc1 8560229 NLDRNSVXQDCGLI-UHFFFAOYSA-N 337.419 4.533 0 40 EJAB Cc1nc2ccc(OCC(C)C)cc2c(O)c1CN1CCCCCC1 8717965 HNINSSULKLTUIO-UHFFFAOYSA-N 342.483 4.660 0 40 EJAB CCCCn1nc(NC(=O)c2ccco2)c2cc3ccc(C)cc3nc21 9361137 AEBTTXUHSIJFIX-UHFFFAOYSA-N 348.406 4.538 0 40 EJAB O=P(Nc1nccs1)(Nc1nccs1)C1CCCCC1 12618065 QOCJCKFQHDSIFW-UHFFFAOYSA-N 328.403 4.649 0 40 EJAB CCc1nc(CN2CCc3sccc3[C@H]2c2ccccc2)cs1 12768412 PJNSFWPERYFAGA-LJQANCHMSA-N 340.517 4.915 0 40 EJAB C[C@@H](c1ccccc1)N(C)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3 12795224 PVGHQXFGEJOJJV-HNNXBMFYSA-N 332.447 4.880 0 40 EJAB CC(C)Oc1cccc(NC(=O)CCSCc2ccccc2)c1 13688133 WADCVRBFWDCXMA-UHFFFAOYSA-N 329.465 4.736 0 40 EJAB Cc1cc(C)cc(NC(=O)Cc2sc(C)nc2-c2cccs2)c1 15840144 AFSUKGOKQIEWKC-UHFFFAOYSA-N 342.489 4.978 0 40 EJAB CCCCCOc1ccccc1C(=O)Nc1ccc(Cl)c(N)c1 19736517 IWDXDXRJWFTMLQ-UHFFFAOYSA-N 332.831 4.744 0 40 EJAB CC1(C)CCCN(C(=O)c2ccc(CN3CCc4ccccc43)cc2)C1 20037180 IVBXAYKRFASDTF-UHFFFAOYSA-N 348.490 4.512 0 40 EJAB CC[C@@H](NC(=O)COc1ccc(C(C)C)cc1)c1ccc(C)cc1 20495549 OTNXYZQTIQGJPW-HXUWFJFHSA-N 325.452 4.765 0 40 EJAB O=C(c1ccc(-c2ccc(F)cc2)o1)N1CCC[C@@H]1Cc1ccccc1 25518468 ZQHXOPXPBMHSIR-LJQANCHMSA-N 349.405 4.933 0 40 EJAB O=C(COc1cccc2cccnc12)Nc1cccc(Cl)c1Cl 28047571 KNWSQMZUFNLGQU-UHFFFAOYSA-N 347.201 4.559 0 40 EJAB CC(C)c1cnc(SCc2nnc(-c3ccco3)o2)n1C(C)C 89893497 OCRGLMXVNPHREY-UHFFFAOYSA-N 332.429 4.523 0 40 EJAB C[C@H](N[C@H]1CCCc2ccccc21)c1ccc(C(F)(F)F)nc1O 95427038 HZOYGJNXOKTADW-NHYWBVRUSA-N 336.357 4.534 0 40 EJAB Cc1noc(C)c1[C@H](C)NC(=O)Nc1cc(-c2ccco2)ccc1F 96435488 FWHZVOHZMBGYPY-JTQLQIEISA-N 343.358 4.573 0 40 EJAB CCOC(=O)/C(Cl)=C(/C)Nc1nc2c(ccc3ccccc32)s1 104264898 ORANXPAQAAJTLA-GXDHUFHOSA-N 346.839 4.895 0 40 EJAB O=C(CCCSc1ccc(Cl)cc1)N1CCc2ccccc21 222689422 FIRDNIOSRWOBLR-UHFFFAOYSA-N 331.868 4.802 0 40 EJAB O=C(COc1cccc2ccccc12)NCc1ccc2ccccc2c1 222786971 ZETVXULLVGEIOI-UHFFFAOYSA-N 341.410 4.688 0 40 EJAB Cc1cccc(CCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1 224989661 FEIHNRITOXTACO-UHFFFAOYSA-N 345.870 4.555 0 40 EJAB CCOc1ccc(C(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1Cl 225010651 USBYAUIWHYTYFR-CQSZACIVSA-N 331.843 4.847 0 40 EJAB CCOc1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1C 225172770 DNRHZKMLBPIGTR-UHFFFAOYSA-N 346.430 4.632 0 40 EJAB COc1ccc([C@@H](CC(C)C)NC(=O)Cc2ccccc2Cl)cc1 225437608 VVQVHZGIZOBHBU-LJQANCHMSA-N 345.870 4.795 0 40 EJAB CO[C@@]1(C(=O)Nc2ccc(OC3CCCC3)cc2)CCC[C@H](C)C1 225633772 YWWRJSWPNZDUTN-YWZLYKJASA-N 331.456 4.542 0 40 EJAB O=C(O)c1cccc2c1N[C@H](c1ccc(F)cc1)[C@H]1[C@H]3CC[C@@H](C3)[C@@H]21 245228013 XRZXZBRJZSEQSF-XRJOUIEWSA-N 337.394 4.820 0 40 EJAB Cc1cccc(OCc2ccc(C(=O)Oc3ccc(C=O)cc3)cc2)c1 409179148 QAVWHETYLJTPIW-UHFFFAOYSA-N 346.382 4.606 0 40 EJAB Cc1cc2c(cc1C)CN(CC(=O)Nc1cccc(Cl)c1Cl)C2 409197762 OIQXPJOYSBWCGW-UHFFFAOYSA-N 349.261 4.565 0 40 EJAB C/C(CC(=O)Nc1cccc(C(F)(F)F)c1)=N/Nc1ccccc1 270894 NFDALGFEOASEIH-UUYOSTAYSA-N 335.329 4.522 0 40 EJAB Cc1ccc2oc(-c3cccc(NC(=O)c4cccnc4)c3C)nc2c1 271308 HQLYEUDRCJJZNO-UHFFFAOYSA-N 343.386 4.759 0 40 EJAB c1ccc(CSc2nnc(-c3sccc3-n3cccc3)o2)cc1 1398799 JWNYLQSVBIWWSB-UHFFFAOYSA-N 339.445 4.881 0 40 EJAB Cc1ccc(SCCNC(=S)Nc2cccc(C)c2C)cc1 2783386 MMYQJLHYWYWMTQ-UHFFFAOYSA-N 330.522 4.691 0 40 EJAB CCCCNC(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1 3305517 YBZJECKZISIVKT-UHFFFAOYSA-N 347.871 4.579 0 40 EJAB Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cccs2)o1 4927665 BLHKCRGTBCQZJH-DNVCBOLYSA-N 336.416 4.892 0 40 EJAB CSc1cccc2sc(NC(=O)c3cccc(Cl)c3)nc12 5299212 JAXARYQYDKRCQI-UHFFFAOYSA-N 334.853 4.924 0 40 EJAB COc1ccc2c(c1)CC/C(=C\C1(Sc3ccccc3)CC1)[C@@H]2O 5496552 OKRCZDYMOXUSCU-VISDOYDDSA-N 338.472 4.926 0 40 EJAB Cc1cc2oc(=O)cc(CSc3ncnc4ccccc34)c2cc1C 8189560 ITGICLWLKUPBIK-UHFFFAOYSA-N 348.427 4.645 0 40 EJAB Cc1nc(-c2ccccn2)sc1C(=O)Nc1cccc(Cl)c1F 19358265 UTOMOBGKKMZCLB-UHFFFAOYSA-N 347.802 4.558 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2cccc(Cl)c2)c(C)c1 20108177 XZXPPKUWWQFAJV-CABCVRRESA-N 331.843 4.602 0 40 EJAB Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(COc3ccccc3)o2)c1 24958531 QOORIXOAWNJJRB-QGZVFWFLSA-N 349.430 4.966 0 40 EJAB CCc1nc(CSc2nnc(Nc3ccccc3)s2)cs1 25047936 AGLGEXNTSLURQI-UHFFFAOYSA-N 334.495 4.593 0 40 EJAB Cc1ccc([C@H](C)NC(=O)c2ccc(Br)cc2)c(C)c1 30853932 DNCIFZHSHYUQMO-ZDUSSCGKSA-N 332.241 4.557 0 40 EJAB Cc1ccc(-c2noc(CN(Cc3ccccc3)[C@H](C)C3CC3)n2)cc1 32819979 KWDJJXUHNVWVPE-QGZVFWFLSA-N 347.462 4.846 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)[C@H](C)SCc2ccccc2)c(C)c1 44902178 UQFCWIZSYLWDIJ-SJORKVTESA-N 327.493 4.803 0 40 EJAB COc1ccccc1NC(=O)[C@@H](C)N[C@@H](C)c1cccc2ccccc12 56851986 LEASASBMIQNXAC-JKSUJKDBSA-N 348.446 4.526 0 40 EJAB CC(C)c1nc(CN2CCC[C@@H](c3nc4ccccc4o3)C2)cs1 58052800 ULJIZFAXAGSVIN-CQSZACIVSA-N 341.480 4.787 0 40 EJAB COc1cccc(OC)c1C(=O)Nc1cccc(Oc2ccccc2)c1 68741385 KLFPSCFGTVNAIM-UHFFFAOYSA-N 349.386 4.748 0 40 EJAB O=C(c1ccccc1Cl)N(CCc1cccs1)Cc1ccco1 75154755 ILBPAGSLFWMYNP-UHFFFAOYSA-N 345.851 4.880 0 40 EJAB CC1(C)CCN(C(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)C1 76067132 RJARPSZIFMRWRR-UHFFFAOYSA-N 346.430 4.881 0 40 EJAB Cc1cccc(Oc2ccc(N3C(=O)[C@@H]4CC[C@@H](C)C[C@H]4C3=O)cc2)c1 102607538 RPFXZAVVAHHALA-CDHQVMDDSA-N 349.430 4.713 0 40 EJAB CCCCCNC(=O)c1ccc(OC)c(COc2cccc(C)c2)c1 224115446 NIRFYRNUEJZSTO-UHFFFAOYSA-N 341.451 4.503 0 40 EJAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccccc1Cl 225148901 STFYMOSHPBAMIO-CYBMUJFWSA-N 329.827 4.625 0 40 EJAB O=C(Nc1cccc2ccccc12)c1cc2cccc(Cl)c2oc1=O 226039383 SJNAFEKEBBHCGV-UHFFFAOYSA-N 349.773 4.852 0 40 EJAB C[C@@H]1CC(C)(C)Nc2c(Br)cc(Br)cc21 1554770653 WCBVJDRVZZSFLQ-SSDOTTSWSA-N 333.067 4.909 0 40 EJAB O=C(NCCC1=CCCCC1)[C@H](Cc1ccc(O)cc1)c1ccccc1 1095623 JERYPDVGGSAFME-JOCHJYFZSA-N 349.474 4.725 0 40 EJAB Cc1ccc(NC(=O)COc2ccc(Oc3ccccc3)cc2)cc1 3189428 INKAXGFIWWPODJ-UHFFFAOYSA-N 333.387 4.805 0 40 EJAB COc1ccc2nc(SCc3coc(-c4cccs4)n3)[nH]c2c1 4252295 NRTVOOAKQXWSKF-UHFFFAOYSA-N 343.433 4.580 0 40 EJAB CC(C)OCCCN1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc12 4691601 JPVHRDVMHFEBOL-NRFANRHFSA-N 348.446 4.528 0 40 EJAB C[n+]1ccc(/C=C/c2cccn2Cc2ccc(Cl)c(Cl)c2)cc1 5002278 WVAROFQRUQDHHV-UHFFFAOYSA-N 344.265 4.838 0 40 EJAB O=C(NC1CCCCC1)n1c(Cc2ccccc2)nc2ccccc21 5614957 VDEKZFYPWVIOAD-UHFFFAOYSA-N 333.435 4.518 0 40 EJAB COCc1c(C(=O)Nc2ccc(C(F)(F)F)cc2)oc2ccccc12 5699399 YQVOIFNQOWGIEJ-UHFFFAOYSA-N 349.308 4.850 0 40 EJAB Cc1cc(NC(=O)C2(c3ccccc3)CCCC2)c2ccccc2n1 6390067 BINZLUDVTJLWCX-UHFFFAOYSA-N 330.431 4.994 0 40 EJAB CCCCC1CCC(C(=O)Nc2cc(OC)c(OC)c(OC)c2)CC1 6833849 ZFWSHPYJBAXHCK-UHFFFAOYSA-N 349.471 4.648 0 40 EJAB CCCCCN[C@@H](C(=O)Nc1ccccc1OCC)c1ccccc1 7378831 LYFOUDWFPIKTPW-HXUWFJFHSA-N 340.467 4.545 0 40 EJAB CCC(=O)Nc1ccc(-c2csc(-c3ccccc3OC)n2)cc1 7846134 VIMZWMNQYCGWNC-UHFFFAOYSA-N 338.432 4.834 0 40 EJAB Cc1ccc(Oc2ccccc2NC(=O)Cc2c(C)noc2C)cc1 7989356 XIFNSLLCRBYMHU-UHFFFAOYSA-N 336.391 4.573 0 40 EJAB CCCCN(CCCC)Cc1c(C)nc2ccc(N(C)C)cc2c1O 8717511 AINSRNZFWQCMGB-UHFFFAOYSA-N 343.515 4.717 0 40 EJAB Cc1ccc(OCC(=O)Nc2nc3c(C)ccc(C)c3s2)cc1C 9141246 DJBJADCJEPBAAN-UHFFFAOYSA-N 340.448 4.547 0 40 EJAB Cc1nc2cc(NC(=O)c3ccc(COc4ccccc4)o3)ccc2o1 9578701 BTLOKALFHIDKLW-UHFFFAOYSA-N 348.358 4.561 0 40 EJAB Cc1ccc(NC(=O)c2cccc(OCc3csc(C)n3)c2)cc1 12995251 OKUSZUBYGVJBMY-UHFFFAOYSA-N 338.432 4.591 0 40 EJAB COc1ccc2cc(CN3c4ccccc4C[C@H]3C)c(Cl)nc2c1 14672786 ANPDPOCHALHZAZ-CYBMUJFWSA-N 338.838 4.848 0 40 EJAB Cc1cccc(OCCS[C@@H](C)C(=O)Nc2cc(C)ccc2C)c1 15492276 IKGKOTWXNRQADS-KRWDZBQOSA-N 343.492 4.751 0 40 EJAB Cc1nc2ccc(N[C@H](C)c3nnc(-c4ccccc4)o3)cc2s1 15510714 UGYCIMQKZRVQQK-LLVKDONJSA-N 336.420 4.828 0 40 EJAB O=C(NC1CCC(c2ccccc2)CC1)c1c(F)cccc1Cl 25097613 OYQRYEKCNNNLFM-UHFFFAOYSA-N 331.818 4.935 0 40 EJAB Oc1ccc(CN[C@H](c2ccc3c(c2)CCC3)c2cccs2)cc1 32845178 NELSEETYNOWOIK-OAQYLSRUSA-N 335.472 4.822 0 40 EJAB Cc1ccc(C2=NN3[C@H](c4ccccc4)Oc4ccccc4[C@H]3C2)o1 36352213 RTUWINGCZGTOEZ-NQIIRXRSSA-N 330.387 4.830 0 40 EJAB Nc1ccc2nc(-c3cccc4c(Br)cccc34)oc2c1 70461316 ORYHENYVCGYVGF-UHFFFAOYSA-N 339.192 4.993 0 40 EJAB Cc1cc([C@H](C)NC(=O)c2ccc(OC3CCCC3)cc2)c(C)o1 84081650 ORIURZNPOGCGIT-AWEZNQCLSA-N 327.424 4.709 0 40 EJAB O=C(C[C@@H]1CCCN1Cc1cccc2cccnc12)c1ccc(F)cc1 97229476 IQONXZGKSQNZAH-FQEVSTJZSA-N 348.421 4.611 0 40 EJAB Cc1nc2cc(NC(=O)N3C[C@]4(C)C[C@@H]3CC(C)(C)C4)ccc2o1 100633286 QMYAVCOPHYGTJB-IFXJQAMLSA-N 327.428 4.569 0 40 EJAB C[C@@H](NC(=O)/C=C/c1ccc(Cl)cc1Cl)[C@@H]1C[C@H]2CC[C@H]1C2 107450059 LYTBYJYOGOTVFB-WJGWBWPTSA-N 338.278 4.948 0 40 EJAB Nc1ccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 199751582 LAEHQNIAYGYBHY-UHFFFAOYSA-N 348.246 4.559 0 40 EJAB C[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1ccc2c(c1)CCC2 223148156 SVDHTAJPYJVCQY-NSHDSACASA-N 334.246 4.973 0 40 EJAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccc(COC)c1 224475876 IOXOMIOHAOBGNL-KRWDZBQOSA-N 349.883 4.996 0 40 EJAB Cc1cc(C)cc(NC(=S)N[C@H]2CC(C)(C)Oc3ccccc32)c1 225575115 ZJUPJUBVGFWDNH-KRWDZBQOSA-N 340.492 4.892 0 40 EJAB CCc1ccc(NC(=O)CSc2ncc(-c3ccccc3)o2)cc1 226795030 RCRSYLYSTKXOPV-UHFFFAOYSA-N 338.432 4.635 0 40 EJAB CC(C)[C@H](C)NCc1csc(-c2cccc(Br)c2)n1 620851120 CYCMHJZNTHSZKI-NSHDSACASA-N 339.302 4.707 0 40 EJAB O=C(Sc1cccc2ncccc12)c1ccccc1Br 35341 YLWFZPYWYWFSOR-UHFFFAOYSA-N 344.233 4.930 0 40 EJAB Cc1cc(OCc2n[nH]c(=S)n2C2CCCCC2)ccc1Cl 151542 DGICYFMCJOQERE-UHFFFAOYSA-N 337.876 4.987 0 40 EJAB CCO[C@@]12c3ccccc3O[C@@H](c3ccccc3)[C@@H]1C2(Cl)Cl 348471 TUHXFTQSJNJHPZ-ULQDDVLXSA-N 335.230 4.856 0 40 EJAB O=C(COc1cc(Cl)c(Cl)cc1Cl)Oc1ccccc1 1732178 LZZGKBHFHIXHFS-UHFFFAOYSA-N 331.582 4.631 0 40 EJAB CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)C(C)C 1953237 OIVWPBIOVZRXRC-UHFFFAOYSA-N 345.464 4.803 0 40 EJAB Cc1nc2c3ccccc3nc(SCc3cccc(Cl)c3)n2n1 2968897 KBPCRMWRUSEHOZ-UHFFFAOYSA-N 340.839 4.532 0 40 EJAB C[C@H]1CCN(C(=O)COc2ccccc2Cl)c2ccccc2S1 5861615 ZRBAYOHUFWLYDQ-ZDUSSCGKSA-N 347.867 4.636 0 40 EJAB CCc1cccc(C)c1NC(=O)CCc1c(C)nn(CC(C)C)c1C 7402220 DRJOGBCKKMSHBG-UHFFFAOYSA-N 341.499 4.598 0 40 EJAB Cc1cnc(NC(=O)c2ccccc2SCc2ccco2)s1 8942585 JTHHDVUVAWSJMR-UHFFFAOYSA-N 330.434 4.589 0 40 EJAB CC(C)Oc1ccc(NC(=O)[C@@H](Cc2ccccc2)n2cccc2)cc1 12138151 IRKJJCLFPNMDEF-OAQYLSRUSA-N 348.446 4.698 0 40 EJAB COc1ccc(NC(=S)Nc2ccc(F)c(Cl)c2)cc1Cl 13935133 LEEVNRBXAWFWBI-UHFFFAOYSA-N 345.226 4.950 0 40 EJAB Fc1cccc(CN(CCc2ccccc2)Cc2ccncc2)c1F 13990170 CVKYQLQFIGASIU-UHFFFAOYSA-N 338.401 4.605 0 40 EJAB CCCCc1ccc(N2C(=O)CS[C@@H]2c2ccccc2F)cc1 17198475 PNXSLLGWXJCXFQ-LJQANCHMSA-N 329.440 4.947 0 40 EJAB CC(C)CC(=O)Nc1ccc(O)c(-c2nc3ccccc3s2)c1 20158381 ZHJWLHXAJYMBTF-UHFFFAOYSA-N 326.421 4.654 0 40 EJAB CC[C@H](NC(=S)Nc1ccccc1Cl)c1ccc(OC)cc1 20625001 LNPLRDXAVZOPRU-HNNXBMFYSA-N 334.872 4.786 0 40 EJAB CCC[C@@](O)(c1ccc(C)cc1)[C@H](CN1CCCC1)c1ccccc1 20868913 ZPGXQPDUMYGAJT-DHIUTWEWSA-N 337.507 4.862 0 40 EJAB O=C(Nc1ccc(-c2nc(-c3ccccc3)no2)cc1)c1ccccc1 20900062 CJDTVJMRHGBVJM-UHFFFAOYSA-N 341.370 4.656 0 40 EJAB CC(C)(C)c1ccc(O)c(NC(=O)c2ccccc2Br)c1 21899229 RBTMUJIIDKVTIB-UHFFFAOYSA-N 348.240 4.705 0 40 EJAB Cc1ccc(-c2c(C)nn3c(N4C[C@@H](C)C[C@@H](C)C4)cc(C)nc23)cc1 23114987 UOCLXXZZGUZRGQ-IYBDPMFKSA-N 348.494 4.804 0 40 EJAB CCOc1ccc(Oc2ncnc3c(Br)cccc23)cc1 32937624 XYIZWIWKKVYXTD-UHFFFAOYSA-N 345.196 4.583 0 40 EJAB O=C(Nc1ccc2oc(C3CC3)nc2c1)c1ccccc1C(F)(F)F 33214929 ODRJINRABXHYFR-UHFFFAOYSA-N 346.308 4.976 0 40 EJAB COc1cccc(/C=C2\C(=O)Nc3ccc(Cl)cc32)c1OC(C)C 33471249 VUDXUNNFDQBZMV-DHDCSXOGSA-N 343.810 4.629 0 40 EJAB Cc1nc(C)c(C(=O)Nc2ccc(OCc3ccccc3)cc2)s1 50078058 SYVQSWBFSRMTOK-UHFFFAOYSA-N 338.432 4.591 0 40 EJAB C[C@H](N[C@H](C)c1nc(C2CC2)no1)c1ccc(Cl)cc1Cl 51535226 GNWHGLIPKBYPLA-DTWKUNHWSA-N 326.227 4.666 0 40 EJAB C[C@H](OC(=O)c1cccc(OC(F)F)c1)c1cnc2ccccc2c1 58142698 JOZMOXQVBKVBCO-LBPRGKRZSA-N 343.329 4.754 0 40 EJAB Fc1ccc(-c2cccc([C@H]3CCCN(Cc4ccncc4)C3)n2)cc1 72348799 QHEXOTGYMFYMMP-IBGZPJMESA-N 347.437 4.662 0 40 EJAB Cc1ccccc1CN1CCC[C@@H]1c1cccc(Nc2ccccn2)n1 72375263 RTRCDARWIGPSMD-HXUWFJFHSA-N 344.462 4.866 0 40 EJAB Clc1cccc(CN2CCC[C@@H]2c2nnc(-c3ccsc3)o2)c1 72390167 OVVRMMQMVPWUAR-OAHLLOKOSA-N 345.855 4.789 0 40 EJAB CC(C)=C[C@@H]1[C@H](C(=O)OCc2ncc(-c3ccccc3)o2)C1(C)C 89914109 NGISNRZQKUCZRE-CRAIPNDOSA-N 325.408 4.623 0 40 EJAB Cc1ccc([C@@H]2C=C(c3ccc(Cl)cc3)Nc3ncnn32)c(C)c1 102047030 NSUXFCGVXBSCFF-SFHVURJKSA-N 336.826 4.604 0 40 EJAB Cc1ccc(S[C@@H](C)C(=O)NCc2cccc3ccccc23)cc1 222829283 XELSODLKJCOYAI-INIZCTEOSA-N 335.472 4.945 0 40 EJAB CCSc1ccccc1NC(=O)COc1ccc2ccccc2c1 222836400 POIHYUJAUKNNBI-UHFFFAOYSA-N 337.444 4.969 0 40 EJAB Cc1cccc(CSCCCNC(=S)Nc2ccccc2F)c1 225603334 CNCSAVYCKXICPB-UHFFFAOYSA-N 348.512 4.744 0 40 EJAB CCOc1ccc(/C=C/C(=O)Nc2c(C)cccc2CC)cc1OC 138054 UUFPFCMEGBJVDF-ACCUITESSA-N 339.435 4.617 0 40 EJAB COc1ccc([C@@H](C)NC(=O)C(c2ccccc2)c2ccccc2)cc1 550007 GUCUPAYGBKHLRO-QGZVFWFLSA-N 345.442 4.705 0 40 EJAB O=C(OCc1c(F)cccc1Cl)c1cnc(Cl)c(Cl)c1 3341503 KONZSHGHNPCRQT-UHFFFAOYSA-N 334.561 4.538 0 40 EJAB Cc1cc(-c2noc(/C=C/c3ccc(F)cc3)n2)c2ccccc2n1 4628935 XDKVPHJCNKRGDT-DHZHZOJOSA-N 331.350 4.903 0 40 EJAB COc1cccc(-c2csc(NC(=O)c3ccc(Cl)cc3)n2)c1 4656524 ITDLGMQCQMHKSE-UHFFFAOYSA-N 344.823 4.724 0 40 EJAB COc1ccc(OCC(=O)Nc2ccccc2Oc2ccccc2)cc1 5509353 PSRGOMFHOLFWCU-UHFFFAOYSA-N 349.386 4.505 0 40 EJAB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(F)c(F)c1 6329903 RICCWIOAVFSKAE-QHHAFSJGSA-N 328.145 4.924 0 40 EJAB COc1ccc(-c2ccc(CNCCc3ccccc3)o2)cc1Cl 7539582 ZLMAHTKNVPXJIR-UHFFFAOYSA-N 341.838 4.941 0 40 EJAB Cc1cc(Cl)ccc1NC(=O)c1cc(Br)ccc1F 7670014 ZEPIEVRPQHMPJL-UHFFFAOYSA-N 342.595 4.802 0 40 EJAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccccc1Br 8723211 VUBORGLFESYIHI-MRXNPFEDSA-N 348.240 4.554 0 40 EJAB CCc1ccc(/C=C/C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1 12628638 LSCNRTLDWHGEAB-FBRRREGBSA-N 345.446 4.502 0 40 EJAB Cc1cccc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)c1 12912887 ODSKVVZEQMAGLA-INIZCTEOSA-N 336.460 4.625 0 40 EJAB O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1cccc(F)c1 13004662 LCFIHGDGTHDBHM-UHFFFAOYSA-N 327.355 4.510 0 40 EJAB Cc1c(C)n(C2CCCCCC2)c2ncn3nc(-c4ccco4)nc3c12 13629042 OKZNMTJRUVMBGV-UHFFFAOYSA-N 349.438 4.851 0 40 EJAB Cc1c(C(=O)CN2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)c2ccccc2n1C 13769335 DWVYRXCRUOQLHN-AOMKIAJQSA-N 338.495 4.570 0 40 EJAB COc1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1C 14292019 JRRLTACSYBZEQU-UHFFFAOYSA-N 345.442 4.846 0 40 EJAB CC(C)Oc1cccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)c1 14399437 AQBNQRDCHXFADW-ZDUSSCGKSA-N 333.815 4.533 0 40 EJAB Cc1ccc(N(Cc2ccco2)C(=O)[C@@H]2Cc3ccccc3S2)cc1 21445320 LKPKZQNYAAZPTE-FQEVSTJZSA-N 349.455 4.838 0 40 EJAB CN(C(=O)NCc1ccccc1)[C@@H](c1ccccc1)c1ccc(F)cc1 25532297 MAHMPIZJUGCJCY-NRFANRHFSA-N 348.421 4.757 0 40 EJAB Cc1nn(-c2ccc(NC(=O)NC3CCCCC3)cc2)c(C)c1Cl 27924967 ORFCJGWJBVZITO-UHFFFAOYSA-N 346.862 4.597 0 40 EJAB Cc1ccc(C)c(OCC(=O)N[C@@H](CC(C)C)c2ccccc2)c1 38756932 RGHNKSNOSLZCDK-IBGZPJMESA-N 325.452 4.586 0 40 EJAB OCc1cccc(Nc2ncnc3scc(-c4ccccc4)c23)c1 40160632 NZMRGNIIPQJVTC-UHFFFAOYSA-N 333.416 4.594 0 40 EJAB Cc1cccc2cc(C(=O)N3CCC(Cc4ccccc4)CC3)oc12 41306842 BVWQMNIUABWUOO-UHFFFAOYSA-N 333.431 4.836 0 40 EJAB Cc1ccc([C@@H](C)NC(=O)[C@@H](C)SCc2ccccc2)c(C)c1 44902172 UQFCWIZSYLWDIJ-IAGOWNOFSA-N 327.493 4.803 0 40 EJAB CCn1ccc2ccc(NC(=O)[C@H]3CCC[C@@H](C(F)(F)F)C3)cc21 72292969 IKGJNXAEGAJXCU-UONOGXRCSA-N 338.373 4.968 0 40 EJAB Fc1cccc(-c2nccnc2[C@@H]2CCCN(Cc3ccccc3)C2)c1 72358349 HLQZGTYIAFFION-LJQANCHMSA-N 347.437 4.662 0 40 EJAB COc1ccc(Cl)c2c(Nc3ccccc3C(=O)O)cc(C)nc12 78401746 IXCRNZISHCVXJS-UHFFFAOYSA-N 342.782 4.647 0 40 EJAB CCc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(C)cc2C)cc1 78458685 JCKVCXGOHDOFRS-IAGOWNOFSA-N 325.452 4.511 0 40 EJAB COc1ccc(NC(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)cc1 80344370 QYFQDLONUPANAG-CVEARBPZSA-N 336.218 4.744 0 40 EJAB CC[C@H]1CCCN(C(C)(C)CNC(=O)Nc2c(C)cc(C)cc2C)C1 95395339 DHJYVFRNCIKJCL-SFHVURJKSA-N 345.531 4.634 0 40 EJAB C[C@H](N[C@@H](c1cc(F)ccc1F)C1CC1)c1ccc([S@](C)=O)cc1 95423498 GNTTXLPMWGIIQE-WSONZKGWSA-N 349.446 4.504 0 40 EJAB Cc1ccccc1CNC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 96171184 PYKMXZACTHYQOA-UHFFFAOYSA-N 342.748 4.989 0 40 EJAB CCOC(=O)/C(=C/c1ccc(Cl)cc1)P(=O)(OCC)OCC 104287116 APOMKMWGLHQUGW-KAMYIIQDSA-N 346.747 4.510 0 40 EJAB CC(C)=C[C@@H]1[C@H](C(=O)N[C@H](c2ccccc2)c2ccncc2)C1(C)C 107488460 GJHNJNQPARNKHX-VAMGGRTRSA-N 334.463 4.526 0 40 EJAB CCc1ccc([C@@H]2[C@@H](c3ccccn3)N=C3SC[C@@H](CC)N32)cc1 222641726 JYHZLVZQXPJPDJ-BHIYHBOVSA-N 337.492 4.623 0 40 EJAB CC(C)c1ccc(NC(=O)c2ccc3c(c2)OCC2(CC2)CO3)cc1 225364573 WMHMINLGKJTFTN-UHFFFAOYSA-N 337.419 4.614 0 40 EJAB CO[C@@](C)(CC(C)C)C(=O)Nc1cc(C)c(OCC(C)C)c(C)c1 225609018 UPSOSYYIBGETBB-FQEVSTJZSA-N 335.488 4.728 0 40 EJAB CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OC)c(Cl)c1 225736827 IXXUTGKBTIFECY-KRWDZBQOSA-N 327.852 4.519 0 40 EJAB Cc1ccc(Cl)cc1-c1noc(CSCc2cccnc2)n1 547110114 UCVSILICAZEDPG-UHFFFAOYSA-N 331.828 4.527 0 40 EJAB CC(C)(C(=O)N(Cc1ccccc1)C1CC1)c1cccc(Cl)c1 607086359 ICIZVVVCTKXRMT-UHFFFAOYSA-N 327.855 4.809 0 40 EJAB CCOc1ccc(/C=C/C(=O)Oc2ccc(Cl)cc2C)cc1OC 122533 VQXXNJVSZJWAIY-UXBLZVDNSA-N 346.810 4.675 0 40 EJAB CC(C)(C)C1=Nn2c(nnc2-c2ccc(C(C)(C)C)cc2)SC1 527625 JVROHWYPSJOCEW-UHFFFAOYSA-N 328.485 4.599 0 40 EJAB CC(C)NCc1ccccc1Sc1ccccc1CNC(C)C 1559280 OKDASWFDYVTIEM-UHFFFAOYSA-N 328.525 4.834 0 40 EJAB CCCCC(=O)Nc1scc(-c2ccc(F)cc2)c1C(=O)OCC 1903772 QWYCDYPSLBNWGZ-UHFFFAOYSA-N 349.427 4.860 0 40 EJAB CC(C)OP(=O)(COC(=O)Nc1cccc(Cl)c1)OC(C)C 2285210 XHJJWKIKCNILKH-UHFFFAOYSA-N 349.751 4.889 0 40 EJAB O=C(Nc1ccc(F)c(F)c1F)C(c1ccccc1)c1ccccc1 2648251 UKUYKGCDJJPAMW-UHFFFAOYSA-N 341.332 4.875 0 40 EJAB COc1ccccc1[C@@H]1C[C@H](c2ccc(C(C)C)cc2)Nc2ncnn21 2919418 DNVYOFNGJIIWIQ-MOPGFXCFSA-N 348.450 4.556 0 40 EJAB C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1C)c1ccccc1 3431754 VKPCZXLXVLSNPC-LBPRGKRZSA-N 329.856 4.989 0 40 EJAB CC(=O)c1sc(NC(=O)c2ccc(C)cc2)nc1-c1ccccc1 4070022 ZLJKLLGQZGUTLZ-UHFFFAOYSA-N 336.416 4.573 0 40 EJAB Fc1cccc2sc(Nc3nnc(-c4ccc(Cl)cc4)o3)nc12 4137697 DYXRYFYEZUAHFN-UHFFFAOYSA-N 346.774 4.882 0 40 EJAB COc1ccc2nc(S[C@@H](C)C(=O)c3ccc(C)c(C)c3)[nH]c2c1 4406429 ISIUJSOMJQTGDW-ZDUSSCGKSA-N 340.448 4.552 0 40 EJAB O=C(OCc1csc(-c2ccccc2)n1)c1cc2c(s1)CCC2 4462197 RUUHKLOYALHBGD-UHFFFAOYSA-N 341.457 4.717 0 40 EJAB C[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2cccc4ccccc24)N3)C1 4543305 FJCFFPKEYQKCJE-BUXKBTBVSA-N 348.471 4.880 0 40 EJAB CCC(=O)Nc1cc(C)c(O)c(-c2nc3cc(C(C)C)ccc3o2)c1 4988456 GHJFTBHMZPYVQS-UHFFFAOYSA-N 338.407 4.981 0 40 EJAB C(=C1\CCCc2c1nc1ncnn1c2-c1ccccc1)\c1ccccc1 5526326 BIDJGCXSDFRCQD-NBVRZTHBSA-N 338.414 4.668 0 40 EJAB Cc1ccccc1C(=O)Nc1c(-c2ccccc2)nc2c(C)cccn12 5827163 BSBWYIBMZDVKLC-UHFFFAOYSA-N 341.414 4.870 0 40 EJAB CCCSc1nc2cc(Cl)ccc2c(=O)n1-c1ccccc1 6559874 KFFRZMPSHUKVQE-UHFFFAOYSA-N 330.840 4.541 0 40 EJAB CCNCC[C@]1(c2cccc(C(F)(F)F)c2)CCOC(C)(C)C1 6757929 CEMMJTGSAMMZLF-KRWDZBQOSA-N 329.406 4.532 0 40 EJAB Cc1cc2oc(C(=O)Nc3ccc(C)c(Cl)c3)cc(=O)c2cc1C 6811389 YXKPBUZTZKKLFI-UHFFFAOYSA-N 341.794 4.624 0 40 EJAB CNc1nnc(SCc2ccccc2Oc2ccccc2)s1 7102962 BVKPIVUJYPILHV-UHFFFAOYSA-N 329.450 4.664 0 40 EJAB Cc1cc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c(C)o1 7723718 LEXVTMNFCRSVHD-UHFFFAOYSA-N 332.812 4.926 0 40 EJAB Cc1ccc(NC(=O)[C@@H](Sc2ccccn2)c2ccccc2)cc1 8705205 UJAVGWONIKDEOS-IBGZPJMESA-N 334.444 4.862 0 40 EJAB O=C(N[C@H](c1ccccc1)c1ccc(Cl)cc1)c1ccsc1 8772610 QVPMRAGUJVHIPQ-QGZVFWFLSA-N 327.836 4.921 0 40 EJAB Cc1c(C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)oc2ccc(F)cc12 11448238 QGQXKBKJAKEOKF-VIFPVBQESA-N 344.411 4.714 0 40 EJAB COc1cc2nc(C(F)(F)F)cc(-c3cccs3)c2cc1OC 12821436 QERJFEBKCLFNGZ-UHFFFAOYSA-N 339.338 4.999 0 40 EJAB COc1ccc(CCC2CCN(C(=O)Nc3ccccc3)CC2)cc1 13000528 QZOXQSTUAUSANG-UHFFFAOYSA-N 338.451 4.572 0 40 EJAB Cc1cccc(CCCNC(=O)CSCc2cc(C)cc(C)c2)c1 13674266 MHDYJQZRIIBCHP-UHFFFAOYSA-N 341.520 4.594 0 40 EJAB COc1ccc([C@@H](C)NC(=S)Nc2ccc(C(C)C)cc2)cc1 13932648 HBYNPGJHECUWDL-CQSZACIVSA-N 328.481 4.866 0 40 EJAB CC(C)(C)C1CCC(NS(=O)(=O)c2ccc3ccccc3c2)CC1 14251980 RIEVKBXCROAMCN-UHFFFAOYSA-N 345.508 4.723 0 40 EJAB c1ccc(-c2nc3sccn3c2CN[C@H]2CCc3ccccc32)cc1 14280013 MYGXGOGUZUQQIY-SFHVURJKSA-N 345.471 4.840 0 40 EJAB Cc1cc(C)n(-c2ccc(C(=O)N(Cc3ccccc3)C(C)C)cc2)n1 14406804 PHSZMPHZSKHZOH-UHFFFAOYSA-N 347.462 4.540 0 40 EJAB CC1CCN(C(=O)c2oc3ccccc3c2COc2ccccc2)CC1 15425258 HYBNONAMDUMHOO-UHFFFAOYSA-N 349.430 4.884 0 40 EJAB CCc1cccc(CC)c1NC(=O)[C@H](CC)Oc1ccc(F)cc1 20036881 KTPDMACLEZOYID-SFHVURJKSA-N 329.415 4.747 0 40 EJAB O=C(CCCc1c[nH]c2ccccc12)Nc1cccc2cnccc12 21217808 FHDQYRVSGITQNK-UHFFFAOYSA-N 329.403 4.678 0 40 EJAB C[C@H]1CCCN(Cc2ccc(C(=O)NC3CCCCCCC3)cc2)C1 22515900 LTEDLJRNZRHUFH-SFHVURJKSA-N 342.527 4.761 0 40 EJAB CC(C)(C)OC(=O)n1cc(-c2cccc(C(=O)O)c2)c2ccccc21 26896671 BHTSSXZQHWNDPO-UHFFFAOYSA-N 337.375 4.790 0 40 EJAB CCOc1ccc(N2C=C(C)C(C)=NN(c3ccccc3)C2=O)cc1 28526901 JIJUYDPKJAOTML-UHFFFAOYSA-N 335.407 4.812 0 40 EJAB COc1cccc(NC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)c1 35476471 QEGFSBCTMRIRPQ-QGZVFWFLSA-N 330.815 4.718 0 40 EJAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1scnc1Cl 40149088 VISDTGAKMSZNGM-UHFFFAOYSA-N 344.823 4.628 0 40 EJAB Cc1ccc(-c2cc(NC(=O)c3ccco3)n(-c3ccccc3)n2)cc1 41025303 MGUZYWRHJAOZAC-UHFFFAOYSA-N 343.386 4.693 0 40 EJAB CCCCOc1ccc(C(=O)Nc2cccc3nc(C)ccc23)cc1 44442992 PWUXQJSFLAVCIT-UHFFFAOYSA-N 334.419 4.974 0 40 EJAB O=C(CCCOc1ccc(Cl)cc1)N[C@@H]1CCCc2ccccc21 44844641 YWZXCNXRFWDTCV-LJQANCHMSA-N 343.854 4.693 0 40 EJAB FC(F)n1c(CN2CCC[C@H]2c2ccsc2)nc2ccccc21 46088238 ORDQGPVMDMQVCK-AWEZNQCLSA-N 333.407 4.830 0 40 EJAB C[C@H](SC(c1ccccc1)c1ccccc1)C(=O)NC(C)(C)C 58017886 PLKMMNCJGRKCRX-HNNXBMFYSA-N 327.493 4.812 0 40 EJAB Cc1nc2ccc(NC(=O)N(Cc3cccs3)C3CC3)cc2s1 75995714 CIROCTGWUIRKGY-UHFFFAOYSA-N 343.477 4.863 0 40 EJAB c1ccc([C@H](NCc2cnc(C3CCC3)s2)C2CCCC2)nc1 95415529 BZDLCPSUGFCRBN-GOSISDBHSA-N 327.497 4.827 0 40 EJAB C[S@@](=O)Cc1ccc(Cl)c(NCc2ccc(Cl)s2)c1 96453613 KDYKUYOAUSIHPX-IBGZPJMESA-N 334.293 4.546 0 40 EJAB CC(=O)OCCCc1cccc(NCc2ccccc2OC(C)C)c1 97162409 RFUXMTNASNRNKJ-UHFFFAOYSA-N 341.451 4.582 0 40 EJAB Cc1cccc(OCCn2c(CCC(=O)O)ccc2-c2ccccc2)c1 107990556 VKCWHOQLRSVXSB-UHFFFAOYSA-N 349.430 4.560 0 40 EJAB C[C@@H]1CCCCN1Cc1cc(F)cc2c1O[C@@H](c1ccccc1)OC2 195560982 QPCFTGNGVCQFQN-VFNWGFHPSA-N 341.426 4.808 0 40 EJAB CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@H](C)c1ccc(C)c(C)c1 219318165 ABQNJVVFILAILD-YLJYHZDGSA-N 325.452 4.647 0 40 EJAB Cc1cccc(C)c1NC(=O)CSCc1ccc(Cl)cc1F 223160647 UYFKLIPOATZQPZ-UHFFFAOYSA-N 337.847 4.968 0 40 EJAB CCCCOCc1cc(C(=O)Nc2cccc(Cl)c2)ccc1OC 224436411 RWXIWYFWXQRHCC-UHFFFAOYSA-N 347.842 4.918 0 40 EJAB Cc1ccc(C)c(NC(=O)c2ccccc2Nc2nc(C)cc(C)n2)c1 225917401 WQMURDHIWUYATI-UHFFFAOYSA-N 346.434 4.706 0 40 EJAB CCNc1cc(C)c2oc(-c3ccc(Br)cc3)nc2c1 226283553 GOEMRZWUWGYVIL-UHFFFAOYSA-N 331.213 4.998 0 40 EJAB COc1ccc(Cl)cc1C(=O)NCc1ccc(-c2ccoc2)cc1 390831392 ROCREUXZBIDJSF-UHFFFAOYSA-N 341.794 4.539 0 40 EJAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(C(F)(F)F)cc1 408682266 WCZIEFZWDLRHDY-CQSZACIVSA-N 341.304 4.641 0 40 EJAB CCc1nc(NC(=O)N2CCCC(F)(F)CC2)sc1C(C)(C)C 626585395 NLJIPMFKBMXOPB-UHFFFAOYSA-N 345.459 4.656 0 40 EJAB CCCc1cc(-c2n[nH]cc2-c2ccc(F)cc2)c(O)cc1OC 495136 XPMVBSQRJHRNNW-UHFFFAOYSA-N 326.371 4.550 0 40 EJAB CCOc1cccc(-c2csc([C@@H]3COc4ccccc4O3)n2)c1 497162 VRHBXNSSNKYMSN-SFHVURJKSA-N 339.416 4.721 0 40 EJAB CCc1ccc(NC(=O)c2cnn(-c3ccccc3CC)c2C)cc1 1018239 CDYBCQLRMDDZRW-UHFFFAOYSA-N 333.435 4.558 0 40 EJAB Nc1ccccc1Nc1cc(-c2cccs2)nn1-c1ccccc1 3308230 KWVUHLBVJSMLBO-UHFFFAOYSA-N 332.432 4.927 0 40 EJAB CC(=O)[C@](C)(Cc1ccccc1)C(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 3846407 VIZLTLNHRLIAKW-DQMRONCHSA-N 344.495 4.828 0 40 EJAB biogenic CCc1ccc2c(c1)C(C)(C)[C@]1(/C=C/c3ccco3)N=C(O)CCN21 3999918 RFPWXMVPWYZVBN-FKVRIVCVSA-N 336.435 4.710 0 40 EJAB biogenic O=C(Nc1cccc2ccccc12)c1ccc(Br)cc1F 4070164 BFPNAFGWTDAFRV-UHFFFAOYSA-N 344.183 4.994 0 40 EJAB O=C(Nc1ccc(Cl)cc1)c1ccc(COc2ccccc2)o1 5013728 WHOCNAJPQDGNKL-UHFFFAOYSA-N 327.767 4.764 0 40 EJAB c1ccc(N[C@H](c2ccccc2)c2nnc(-c3ccccc3)o2)cc1 7504090 GRUMEWSFCAJBKO-LJQANCHMSA-N 327.387 4.938 0 40 EJAB CN(Cc1ccc(Cl)cc1)C(=O)c1cc2cc(F)ccc2s1 8188766 VMIMYBZIGHSPTD-UHFFFAOYSA-N 333.815 4.966 0 40 EJAB Cc1ccc2c(c1)NC(=O)c1cc(NC(=O)CC(C)(C)C)ccc1O2 9135041 PGPXIKRKJBXZIY-UHFFFAOYSA-N 338.407 4.728 0 40 EJAB Cc1sc(NC(=O)C[C@H]2C=CCC2)nc1-c1ccc(F)c(F)c1 14633597 KCTGMRMLLHBKOQ-NSHDSACASA-N 334.391 4.692 0 40 EJAB CCn1c2ccccc2c2cc(NC(=O)Cc3c(C)noc3C)ccc21 15600465 FIZANURUAFTWKI-UHFFFAOYSA-N 347.418 4.600 0 40 EJAB CC1=NN(c2ccccc2)C(=O)[C@@H]1Cc1ccc(Cl)cc1Cl 16607839 PYEMINPFIWISLB-OAHLLOKOSA-N 333.218 4.575 0 40 EJAB c1csc(CN2CCCC[C@H]2c2nnc(-c3ccsc3)o2)c1 19343499 WJEYTKMKEKGPJL-AWEZNQCLSA-N 331.466 4.587 0 40 EJAB Cc1cccc(N2CN(Cc3ccccc3)CN=C2c2ccccc2)c1 19960652 YZXKDEDGGQZSBW-UHFFFAOYSA-N 341.458 4.679 0 40 EJAB CCOc1ccc([C@@H](C)NC(=O)[C@H](C)SCc2ccccc2)cc1 20041165 ZBJJTEQFXNORSQ-CVEARBPZSA-N 343.492 4.584 0 40 EJAB COc1ccc(S[C@H](C)C(=O)Nc2cccc(SC)c2)cc1 20451031 UACSHSWGTZNEKN-GFCCVEGCSA-N 333.478 4.536 0 40 EJAB COc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1cc(C)cc(C)c1C 20495403 PSXAFLHTBZMMJM-AWEZNQCLSA-N 347.842 4.680 0 40 EJAB C[C@@H]1CC(=O)c2c(Nc3ccccc3F)nn(-c3ccccc3)c2C1 20671919 HIODXBMWZFBHLU-ZDUSSCGKSA-N 335.382 4.520 0 40 EJAB O=C(Nc1cccc2ccccc12)[C@@H]1CCCN(Cc2ccccc2)C1 38834044 BXBNAPKSDUQTKH-HXUWFJFHSA-N 344.458 4.691 0 40 EJAB O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cc(F)ccc1F 51354435 KTVOCOVHMMIGPG-UHFFFAOYSA-N 332.228 4.507 0 40 EJAB Cc1ccc(O[C@H](C)C(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1C 59351220 ABXSXFGGMCGFNZ-QZTJIDSGSA-N 325.452 4.565 0 40 EJAB CC(C)Oc1ccc([C@H]2CC(O)=Nc3c2cnn3C2CCCC2)cc1 71282747 GNSCTFHMWDAILE-QGZVFWFLSA-N 339.439 4.909 0 40 EJAB CC(C)CNc1ncccc1[C@@H]1CCCCN1C(=O)c1ccccc1 72213290 DVTXXJXEDSPZNN-IBGZPJMESA-N 337.467 4.517 0 40 EJAB CO[C@H](C)c1cccc(NC(=O)NC(C)(C)c2nc(C)c(C)s2)c1 72290936 VLJRWBHJKUMQMS-GFCCVEGCSA-N 347.484 4.524 0 40 EJAB Cc1nn(C(C)C)c(C)c1NC(=O)c1cc(Cl)ccc1OC(C)C 74510614 KOTMZFZGBYCTEV-UHFFFAOYSA-N 349.862 4.774 0 40 EJAB c1ccc2c(c1)CCC[C@@H]2Sc1nnc(-c2ccncc2)n1C1CC1 77900962 GMSFAFZAGZOMRH-SFHVURJKSA-N 348.475 4.845 0 40 EJAB CCc1nc(C)c(C(=O)N2CCC[C@@H]2[C@@H](CC)c2ccccc2)s1 83830214 QWDCWBFFAQMIDS-DLBZAZTESA-N 342.508 4.812 0 40 EJAB Cc1cc(C)c(NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)c(C)c1 148103109 SEVWEQWCVGCADC-UHFFFAOYSA-N 347.462 4.726 0 40 EJAB CC(C)Oc1cccc(CCCNC(=O)c2cc3ccccc3o2)c1 219946641 SSFLQMLFKVYLRC-UHFFFAOYSA-N 337.419 4.583 0 40 EJAB Cc1cc(C)c([C@@H](C)NC(=O)c2ccc(OC(C)C)cc2)cc1C 223452834 QPYHYNFQODYMOY-QGZVFWFLSA-N 325.452 4.890 0 40 EJAB C[C@H]1Cc2ccccc2N1C(=O)CCc1ccc(Cl)c(Cl)c1 225330982 GQUCASMYJUWVSU-LBPRGKRZSA-N 334.246 4.904 0 40 EJAB Fc1ccc(CCCNC(=S)Nc2ccc(F)c(Cl)c2)cc1 225547335 LWAJOFQMHIIBLJ-UHFFFAOYSA-N 340.826 4.537 0 40 EJAB CCOc1cccc(NC(=S)N[C@H](CC)c2ccccc2C)c1 225758170 FREDNTIUXKOGMP-GOSISDBHSA-N 328.481 4.831 0 40 EJAB FC(F)(F)c1ccc(CNCc2csc(C3CCC3)n2)cc1 227154258 OGPPKBMTLMFSJD-UHFFFAOYSA-N 326.387 4.719 0 40 EJAB CCc1ccc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc1 409008518 ZNUQTKVBKDHIAQ-JXAWBTAJSA-N 337.444 4.528 0 40 EJAB C[C@H]1CC(=O)N(C)c2ccc(N[C@H](C)c3c(F)cccc3F)cc21 629273313 RZOSYGAXZULITP-NWDGAFQWSA-N 330.378 4.608 0 40 EJAB