smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCC(C)(C)c1ccc(O)c([C@]2(C)N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)c1 963218146 CFEBHUAEFJUMDN-BWKNWUBXSA-N 404.510 4.490 10 1 HICF Cc1c(C)c2c(c(Cc3noc(CCc4ccc(O)c(O)c4)n3)c1O)CCC(C)(C)O2 49807631 VHKVUYFMYGACEM-UHFFFAOYSA-N 424.497 4.283 10 1 HICF O=C(c1cc(-c2ccccc2)no1)N1N=C(c2cccnc2)C[C@@H]1c1ccccc1O 71295421 QMIDUCZMFDIDEN-OAQYLSRUSA-N 410.433 4.434 10 1 HICF O=C(CN1CCCCC1)N1N=C(c2ccc(F)cc2)C[C@@H]1c1cc(Cl)ccc1O 299856834 CGVBOECGFKXDDK-HXUWFJFHSA-N 415.896 4.348 10 1 HICF CC(=O)OC1CCN([C@H](c2ccc3c(c2)OCO3)c2c(O)ccc3ccccc23)CC1 72180996 WGJIUUUDWJNMMJ-RUZDIDTESA-N 419.477 4.391 10 1 HICF Cc1sc2c(c1C)CCN[C@]2(CCC(=O)O)c1cc(Br)ccc1O 963007232 HETKCELWMDRUQF-GOSISDBHSA-N 410.333 4.087 10 1 HICF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc(OCC4CC4)c(F)c3)C2)cc1 1772631415 WFSWCLXEKIQRGT-AOMKIAJQSA-N 412.505 4.469 10 1 HICF COC(=O)COc1ccc([C@H]2Nc3c(Cl)ccc(C(=O)O)c3[C@@H]3C=CC[C@@H]23)cc1 13152821 VZXVOBLGRSMRPJ-STXHMFSFSA-N 413.857 4.417 10 1 HICF COc1cc(Nc2c3ccccc3nc3cc(N)ccc23)ccc1NS(C)(=O)=O 29307944 VKUDRAJTLUKSPI-UHFFFAOYSA-N 408.483 4.094 10 1 HICF CC(=O)C(C(C)=O)c1ccccc1-c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 586882539 XKJGLPRTFJAALQ-UHFFFAOYSA-N 422.440 4.267 10 1 HICF Cc1cccc(-n2c(C)cc([C@H]3N[C@H](C(=O)O)Cc4ccc(O)c(C)c43)c2C)c1C 963511081 SYADVDBPLHPEEY-GBXCKJPGSA-N 404.510 4.413 10 1 HICF Cc1ccc2c3c(ccc2c1)C(=O)c1c(ccc2c1N[C@@]1(C)C[C@H]2O[C@@H](C)[C@H]1O)C3=O 2356384978 DIIFOOCBJPITQV-PBFIBXTRSA-N 413.473 4.319 10 1 HICF CCCN1[C@@H](C)Cc2ccccc2[C@]12c1ccccc1C(=O)c1c(O)cc(O)c(O)c12 963228249 LEUXXOGJNRGTJB-QWXGXRTQSA-N 415.489 4.296 10 1 HICF O=C(O)[C@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H](c2cc(Cl)c(F)cc2O)N1 962692455 FANBNJIKNSCUTK-UKRRQHHQSA-N 407.722 4.031 10 1 HICF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H](c2cc(Cl)c(F)cc2O)N1 962692452 FANBNJIKNSCUTK-DZGCQCFKSA-N 407.722 4.031 10 1 HICF Oc1cc2c(cc1O)[C@@H](c1ccccc1)N(C(=S)NCCc1ccccc1)CC2 1857534263 HELPKSXAHYMNSN-HSZRJFAPSA-N 404.535 4.163 10 1 HICF COc1ccc2c(c1)c(CCNC(=N)N)c(C)n2Cc1ccc(Cl)c(Cl)c1 653798229 JAIUGMKYAWPYLI-UHFFFAOYSA-N 405.329 4.339 10 1 HICF COc1ccc2c(c1)c([C@H]1N[C@@H](C(=O)C(F)(F)F)Cc3ccccc31)c(C)n2C 962712860 OKBJSFRMTKFXEZ-XLIONFOSSA-N 402.416 4.230 10 1 HICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)Oc3cc(O)cc(O)c32)N1 587835335 VRNJZZLNWAPQOH-CFMSYZGJSA-N 422.294 4.338 10 1 HICF Nc1ccc(CCNCc2ccccc2C(=O)NCCCCc2ccccc2)cc1 13589104 CIERSNQRXNFDSH-UHFFFAOYSA-N 401.554 4.354 10 1 HICF CC(C)c1ccc(O)c(Cn2c(-c3ccccc3)nc3c(O)c(O)c(O)cc3c2=O)c1 96285598 UGGKGLCTXKBKQS-UHFFFAOYSA-N 418.449 4.058 10 1 HICF O=C(O)[C@H](Cc1cc(O)c(O)c(Br)c1Br)c1ccccc1 13450210 XUABTOLUYWZDOY-SNVBAGLBSA-N 416.065 4.034 10 1 HICF biogenic O=C(c1ccncc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Cl)cc1 34167750 WPFBFGFHOYCVCW-UHFFFAOYSA-N 407.278 4.420 10 1 HICF COc1ccc([C@H]2CC(c3ccc(O)c(C)c3)=NN2C(=O)c2ccncc2)cc1OC 35013072 UDRDWJBDTCWFKN-HXUWFJFHSA-N 417.465 4.104 10 1 HICF COc1cc2nc3c(cc2c(CN2CCOCC2)c1O)CSc1cc(C)ccc1-3 43060792 QIBNTDSIRUXPKE-UHFFFAOYSA-N 408.523 4.362 10 1 HICF COC(=O)c1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@H]43)[nH]c2c1 587275610 FAOORYFFYPSICC-BXTJHSDWSA-N 404.426 4.393 10 1 HICF COc1ccc(N2CC[C@@]3(C2)N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1 587769281 ODJAQDKPUJNEKP-RBZFPXEDSA-N 405.311 4.237 10 1 HICF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)/C(=C/O)C[C@]4(C)[C@@H]3CC[C@]12C 253635803 TXCCBMQDPKCDKY-SQQRCTKVSA-N 416.606 4.386 10 1 HICF O=C(/C=C/c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)Nc1ccc(F)cc1 587167344 QPVCMGXZCZUEAN-VAWYXSNFSA-N 411.392 4.129 10 1 HICF COc1ccc(N2CC[C@@]3(C2)N[C@H](C)Cc2ccc(F)c(Br)c23)cc1 587766321 GKQFMMIUGIRZFD-XCLFUZPHSA-N 405.311 4.237 10 1 HICF CC[C@@]1(c2cccc(C(=O)OC)c2O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587806055 IUEDYGADPDTPGI-YBTHPKLGSA-N 422.294 4.268 10 1 HICF Cc1cc(N2CCOCC2)ccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587772430 HOSBJQVRGQTNNR-SZNDQCEHSA-N 419.338 4.357 10 1 HICF COc1cc(CCC(=O)C[C@@H](CC[C@H]2C=CC=C[C@@H]2C)OC(C)=O)cc(O)c1O 85624675 IXNQZCNWAXJTNI-QKYXUNIQSA-N 402.487 4.088 10 1 HICF biogenic,in-vitro Cc1cc(=O)oc2c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(O)ccc12 587836505 AANTVZIJYMYXLX-DGIBIBHMSA-N 418.262 4.332 10 1 HICF O=C(c1cc(-c2ccccc2)no1)N1N=C(c2cccnc2)C[C@H]1c1ccccc1O 71295420 QMIDUCZMFDIDEN-NRFANRHFSA-N 410.433 4.434 10 1 HICF CN(C)c1ccc([C@H](NC(=O)Cc2ccccc2)c2ccc3cccnc3c2O)cc1 5797871 GDHBPJGRXXWJQP-DEOSSOPVSA-N 411.505 4.455 10 1 HICF NC(=S)n1nc(-c2ccc([N+](=O)[O-])cc2)c(/N=N/c2ccc(Cl)cc2)c1O 18057425 VTQXXHXXOWGUNC-FMQUCBEESA-N 402.823 4.324 10 1 HICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(O)ccc([N+](=O)[O-])c2Cl)N1 587693293 JEVZVNGLIZNJNZ-QZTNRIJFSA-N 415.646 4.479 10 1 HICF COc1cc(O)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 587805741 HOMOWOQUAMWIKS-GIGQVBGESA-N 410.283 4.109 10 1 HICF Cc1cc(=O)oc2c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(O)ccc12 587838244 NAIRMYDMXGZYAL-DGIBIBHMSA-N 418.262 4.332 10 1 HICF S=C(NCc1cccnc1)SCCc1nnc(-c2ccc3ccccc3n2)o1 653706695 IDIWYWVXBYAEBB-UHFFFAOYSA-N 407.524 4.030 10 1 HICF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4N(C)C(=O)/C(=C/O)C[C@@]4(C)[C@@H]3CC[C@]12C 169309147 TXCCBMQDPKCDKY-GFZXSAEGSA-N 416.606 4.386 10 1 HICF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(O)ccc([N+](=O)[O-])c2Cl)N1 587693291 JEVZVNGLIZNJNZ-HYORBCNSSA-N 415.646 4.479 10 1 HICF COc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1OC 587809961 VVLGSMLXEOVTLR-OVWNDWIMSA-N 410.283 4.109 10 1 HICF CC(C)(C)CC(=O)N[C@@H]1[C@@H](c2cccs2)N(Cc2ccccc2O)CC[C@@]1(C)O 2356428059 WKROZAUXIOEREM-MQSCRBSSSA-N 416.587 4.073 10 1 HICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCOCC3)cc2)N1 587774859 PNVQUSLEDVANCE-SZNDQCEHSA-N 419.338 4.223 10 1 HICF CNc1ccc(NC)c2c1C(=O)c1ccccc1[C@@]21CC(=O)c2cc(C)cc(N)c2O1 587388062 VFWKXQYDTMRZGX-VWLOTQADSA-N 413.477 4.114 10 1 HICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc4nc(O)[nH]c4cc3[nH]1)[C@H]1CC=C[C@@H]21 587275243 AKVOWTABZGGHLS-UFYHVXEKSA-N 402.414 4.188 10 1 HICF O=C(O)CN1C(=O)/C(=C/c2cc3ccc4ccccc4c3nc2Cl)SC1=S 169350394 DZZSCWBTAFWVSF-ZSOIEALJSA-N 414.895 4.327 10 1 HICF COc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1OC 587804539 BRSJHQCCZLEPCG-DGIBIBHMSA-N 410.283 4.109 10 1 HICF CCCCOc1ccc([C@@H]2N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c(O)c1 962994754 NUSIAHYSRJHAOH-BEFAXECRSA-N 411.832 4.191 10 1 HICF O=C(COc1ccccc1)N[C@H](c1ccccc1)c1cc(F)c2cccnc2c1O 40934051 UITMQDSLPDVJGN-JOCHJYFZSA-N 402.425 4.364 10 1 HICF CN(C)c1ccc([C@@H](NC(=O)Cc2ccccc2)c2ccc3cccnc3c2O)cc1 5797915 GDHBPJGRXXWJQP-XMMPIXPASA-N 411.505 4.455 10 1 HICF NS(=O)(=O)c1ccc(/N=N/[CH-]c2cccc(Oc3ccccc3)c2)c([N+](=O)[O-])c1 169728224 WCMZDQACDNRVHH-QURGRASLSA-N 411.419 4.328 10 1 HICF COc1cccc(N2CCN(CCN[C@H]3c4c(O)c(C)cc(C)c4CC3(C)C)CC2)c1 26173775 MYXPFOZXXSLETO-VWLOTQADSA-N 423.601 4.053 10 1 HICF [N-]=[N+]=NCCOCCOCCOc1ccc(-c2cc(=O)c3cc(F)ccc3o2)cc1 222413008 YHXRBQNPGFFRNN-UHFFFAOYSA-N 413.405 4.321 10 1 HICF CC(=O)Nc1ccc(O)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587746164 YNOMPQNFTXUZHC-DGIBIBHMSA-N 407.283 4.050 10 1 HICF O=C1NC(=S)S[C@H]1Cc1cc(Br)ccc1OCc1ccccc1 36184604 NOUDHSTXXXQQPP-HNNXBMFYSA-N 408.342 4.087 10 1 HICF COc1ccc(OCC(=O)/N=N/c2c(O)[nH]c3ccc(Br)cc23)cc1 103960799 IQMHEHQWSBUFDM-QZQOTICOSA-N 404.220 4.334 10 1 HICF CN(C)c1ccc(N=Nc2ccc(-c3nc4c(S(N)(=O)=O)cccc4[nH]3)cc2)cc1 587194960 DPADIHDLPYLLKH-UHFFFAOYSA-N 420.498 4.359 10 1 HICF CC(=O)N[C@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OCC4CC4)cc3)C2)cc1F 1772588916 QXNUULRNVCMWAG-OPAMFIHVSA-N 412.505 4.469 10 1 HICF COc1cccc(N2CCN(CCN[C@@H]3c4c(O)c(C)cc(C)c4CC3(C)C)CC2)c1 26173770 MYXPFOZXXSLETO-RUZDIDTESA-N 423.601 4.053 10 1 HICF Oc1cc(-c2cc3c(Br)ccc(O)c3o2)c(Br)c(O)c1O 299861010 HKQIEDXPRIFUKS-UHFFFAOYSA-N 416.021 4.447 10 1 HICF C/C(=C\COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O)CC[C@H]1OC1(C)C 5707074 HWGSNINRXUADDX-NBSXQYNISA-N 422.477 4.464 10 1 HICF COC(=O)c1cc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)ccc1O 114592975 QJJLJVCUQPLRDB-UHFFFAOYSA-N 411.888 4.156 10 1 HICF CCOc1ccccc1[C@H]1NC(c2ccc3c(c2)OCO3)=C[C@@H](c2ccccc2O)N1 102956512 YMSTUYZOLDSVPQ-CPJSRVTESA-N 416.477 4.493 10 1 HICF CN1C[C@H](CNC(=O)c2cccc(Cl)c2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21 103297479 VTIIHMRJTJMYSC-ZAOYMGCJSA-N 407.945 4.222 10 1 HICF CC(=O)Nc1ccc(O)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587746485 ZXAPMNHDCULZFM-GIGQVBGESA-N 407.283 4.050 10 1 HICF CCc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c([N+](=O)[O-])c1 587747856 SMHBBPNFHKQFBI-XYZCENFISA-N 409.255 4.388 10 1 HICF Cc1ccnc2c1CCN[C@]21C(c2ccc(Cl)cc2)=COc2cc(O)cc(O)c21 963075427 SAVJNFACWRVUOM-QHCPKHFHSA-N 406.869 4.277 10 1 HICF O=C(Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1)OC[C@H](O)CO 26842351 PZNSIIHPONXSOA-QGZVFWFLSA-N 403.438 4.033 10 1 HICF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C=O)c3c(c2)CCCN3C)N1 587763904 AOLLFHPWQHTKRB-YUNKPMOVSA-N 417.322 4.407 10 1 HICF COC(=O)c1cccc(-n2c(C)cc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c2C)c1 587388993 IPNJDENKVYMFDC-JOCHJYFZSA-N 404.466 4.478 10 1 HICF CN(C)c1ccc(/C=c2/c3cc([N+](=O)[O-])ccc3n3c2cc(-c2ccccc2)[n+]3C)cc1 5597201 GYHTULPWVMYQCQ-UHFFFAOYSA-N 423.496 4.106 10 3 HICF in-vivo CCc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c([N+](=O)[O-])c1 587743790 FKBTXBMTPXQWDH-XYZCENFISA-N 409.255 4.388 10 1 HICF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCC(O)CC3)cc2)N1 587766265 GIMKNCVSAWRCHC-ZSEKCTLFSA-N 419.338 4.173 10 1 HICF CCOC(=O)c1ccc(O)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587797632 MONCMRAJVBNBAE-MLCYQJTMSA-N 408.267 4.094 10 1 HICF O=C(NCCOc1ccccc1)[C@@H]1Nc2ccc(OC(F)(F)F)cc2[C@H]2C=CC[C@H]21 15952431 WDWQAJLFJQFMEO-SQGPQFPESA-N 418.415 4.234 10 3 HICF CC(C)Oc1cccc2c1ccc1nc3cccc(C(=O)NCCN(C)C)c3nc12 27854758 BZKDUOSSWDFHKO-UHFFFAOYSA-N 402.498 4.015 10 1 HICF Cc1cc(C2=NN(C(=O)c3ccncc3)[C@H](c3ccc(N(C)C)cc3)C2)ccc1O 35013066 CJAZCKNZQAKZLV-QFIPXVFZSA-N 400.482 4.153 10 1 HICF CCc1ccc(/C=C2\SC(N[C@H](C(=O)O)c3ccc(C(F)(F)F)cc3)=NC2=O)o1 28816633 GBLQPELSELDBRQ-MZLJFPOFSA-N 424.400 4.247 10 1 HICF COc1cccc2c1ccc1nc3cccc(C(=O)N[C@H](CN(C)C)C(C)C)c3nc12 27845720 YBRXLVGXIZWTFX-OAQYLSRUSA-N 416.525 4.261 10 1 HICF CCc1ccc2c(c1)C(=O)c1c-2n(CCCN=[N+]=[N-])c(=O)c2cc(OC)c(OC)cc12 28711268 LLUTXFJOTYJIAC-UHFFFAOYSA-N 418.453 4.493 10 1 HICF CN(C)c1ccc([C@@H]2N(Cc3ccccc3)CC(c3ccc([N+](=O)[O-])cc3)=[N+]2[O-])cc1 28949222 MENGGUKSNQUVQP-XMMPIXPASA-N 416.481 4.175 10 1 HICF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)/C(=C/O)C[C@@]4(C)[C@@H]3CC[C@]12C 169309145 TXCCBMQDPKCDKY-UDRUEZPGSA-N 416.606 4.386 10 1 HICF CC(C)c1ccc(OCCCOc2ccc(/C=C3/C(=O)NC(=O)N=C3O)cc2)cc1 40424183 FWOCVCGEHJDQJB-UHFFFAOYSA-N 408.454 4.248 10 1 HICF O=C1/C(=C/c2cc(O)c(O)c([N+](=O)[O-])c2)SC(=S)N1c1cccc(Cl)c1 89455616 LUKGBLRYKSYVDG-MLPAPPSSSA-N 408.844 4.065 10 1 HICF COc1cc(C)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1OC 587810446 XKVUKACUPURIGL-QGHHPUGFSA-N 410.283 4.243 10 1 HICF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1c2ccc(O)c1O 587533327 PKKPDVFTVMOZGY-SANMLTNESA-N 412.441 4.430 10 1 HICF Cc1ccc(O)c([C@@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587821630 JAAZHANWOSGULS-MPBGBICISA-N 422.294 4.245 10 1 HICF COc1ccc2c(c1)c([C@H]1N[C@H](C(=O)C(F)(F)F)Cc3ccccc31)c(C)n2C 962712856 OKBJSFRMTKFXEZ-PXNSSMCTSA-N 402.416 4.230 10 1 HICF Cc1ccc(/C=C/C[C@@H](O)c2cc(O)c3c(c2O)C(=O)c2ccccc2C3=O)cc1 653854568 SMJYADZXVUUYIT-VZSQWMKGSA-N 400.430 4.319 10 1 HICF CCc1ccc(O)c2c1[C@H](C)C[C@@]21N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962713231 UBGCNDIYJACASS-NTJPFVKBSA-N 423.406 4.462 10 1 HICF CC(=O)N(c1ccc(Nc2c3ccccc3nc3ccccc23)cc1)S(C)(=O)=O 26849512 PXEKGRZTEBVZAD-UHFFFAOYSA-N 405.479 4.444 10 1 HICF CN(C)C1=Nc2ccccc2[C@H](CC(=O)NCc2ccc(N)cc2)N1c1ccccc1 49844780 ADQNFSXMHBVQJA-QHCPKHFHSA-N 413.525 4.086 10 1 HICF in-vivo CC(C)[C@H]1N=C(c2ccc3c(c2)OCO3)C[C@H](c2cc(Br)ccc2O)N1 4729617 QUFLHSWXVUVUDV-UZLBHIALSA-N 417.303 4.389 10 1 HICF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OCC(F)(F)F)cc3)C2)cc1 1772569957 XRERDVPSWCFJKC-YCRPNKLZSA-N 422.447 4.483 10 1 HICF O=C(OCc1ccccc1)N1Cc2ccc(N3CCN(C4CCCC4)CC3)cc2C1 1857760061 FUWNTUBEOVLTGS-UHFFFAOYSA-N 405.542 4.404 10 1 HICF O=C1c2ccccc2C(=O)c2c1ccc1nc(Cn3cc(-c4ccc(F)cc4)cn3)[nH]c21 587165373 SRGKORGAFYXVSR-UHFFFAOYSA-N 422.419 4.389 10 1 HICF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccc(O)c(O)c1O)CC2=O 587490932 SXUMDYKDQFXXCW-DEOSSOPVSA-N 406.434 4.371 10 1 HICF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N(C)C)c3nsnc23)N1 587853525 ACFIKLHHEAVLHA-XXFAHNHDSA-N 421.339 4.283 10 1 HICF Cc1cc(N2CCOCC2)ccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587598703 YFUAEAUWQJFSFE-RDGATRHJSA-N 417.461 4.240 10 1 HICF CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)c4cncs4)cc3)C2)cc1 142317502 DKGXBWASPIKJOS-INIZCTEOSA-N 423.538 4.300 10 1 HICF CC(C)n1c(O)c(N=NC(=O)Cc2csc(N3CCOCC3)n2)c2ccccc21 299813181 WOHUOIWXRVMAMS-UHFFFAOYSA-N 413.503 4.074 10 1 HICF CCCCCOc1c(OC)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c1OC 26377913 LPJVXLFNOCNRJZ-UHFFFAOYSA-N 400.427 4.457 10 1 HICF COc1ccc(N2CCN(C(=O)c3nc4cc(C(F)(F)F)ccc4s3)CC2)cc1 653851530 GKYADSDDYMMGGQ-UHFFFAOYSA-N 421.444 4.286 10 1 HICF COc1ccc(C2=NN[C@]3(S2)C(=O)N(Cc2ccccc2)c2ccccc23)cc1 28824767 ABCUGGKORKLYBH-HSZRJFAPSA-N 401.491 4.093 10 1 HICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCOCC3)c(F)c2)N1 587723968 CVFDWUDYJQAXEY-ODXCJYRJSA-N 423.301 4.188 10 1 HICF CC(C)[C@@H]1N=C(c2ccc3c(c2)OCO3)C[C@H](c2cc(Br)ccc2O)N1 4729619 QUFLHSWXVUVUDV-OXQOHEQNSA-N 417.303 4.389 10 1 HICF CCCC(=O)Nc1cccc(-n2ncc3c(/N=N/Cc4ccncc4)ncnc32)c1 169685243 VJQVFCXGKQTQLM-AZPGRJICSA-N 400.446 4.233 10 1 HICF COC(=O)/C=C/c1ccc(O)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587804236 DCSOIHOJBPLMEM-IVSIRFTJSA-N 420.278 4.104 10 1 HICF Cc1cc(=O)oc2c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(O)ccc12 587836503 AANTVZIJYMYXLX-APBUJDDRSA-N 418.262 4.332 10 1 HICF O=C(O)[C@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@@H](c2cc(Cl)c(F)cc2O)N1 962692453 FANBNJIKNSCUTK-HIFRSBDPSA-N 407.722 4.031 10 1 HICF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCC(O)CC3)cc2)N1 587766261 GIMKNCVSAWRCHC-YEJXKQKISA-N 419.338 4.173 10 1 HICF COc1cc2c(cc1OC)[C@@](C)(c1c(O)cccc1Br)N(C)[C@@H](C)C2 962572073 POGFRJWKCUGCKA-YUNKPMOVSA-N 406.320 4.312 10 1 HICF COc1ccc(N2CC[C@]3(C2)N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1 587766318 GKQFMMIUGIRZFD-RNODOKPDSA-N 405.311 4.237 10 1 HICF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OCCCF)cc3)C2)cc1 1772646360 AWLUOAWJQYGRCK-GAJHUEQPSA-N 400.494 4.280 10 1 HICF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N(C)C)c([N+](=O)[O-])c2)N1 587747941 RAAMGRRZKZKXQT-YPMLDQLKSA-N 408.271 4.186 10 1 HICF COc1cc(O)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 587808832 QVKGXFHHCJHTBO-GIGQVBGESA-N 410.283 4.109 10 1 HICF C[C@]1(c2ccc(N3CCCC3)cc2)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962695654 JHNXXVHBLSSKAD-TZIWHRDSSA-N 422.422 4.307 10 1 HICF O=C(CNC(=O)c1ccco1)N=Nc1c(O)n(CCc2ccccc2)c2ccccc12 253989038 DUYSUIPBLBHRDR-UHFFFAOYSA-N 416.437 4.223 10 1 HICF COC(=O)c1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@@H]43)[nH]c2c1 587275612 FAOORYFFYPSICC-QEEYODRMSA-N 404.426 4.393 10 1 HICF CCN1C(=CC=C2C=Nc3ccccc32)N(C2CC2)[C@@H]2C(=O)c3ccccc3C(=O)[C@H]21 1857537207 CNMBDCPSEKTGND-ZEQRLZLVSA-N 409.489 4.244 10 1 HICF COc1cccc(-n2ncc3c(/N=N/Cc4ccc(NC(C)=O)cc4)ncnc32)c1 169685271 KTLAYOWTXIDREE-SOYKGTTHSA-N 401.430 4.066 10 1 HICF CC[C@@](C)(O)c1cc2c(C)cc3c(c2oc1=O)C(=O)c1c(OC(C)C)cccc1C3=O 473081763 DBIVOJHCAZGRQR-RUZDIDTESA-N 420.461 4.282 10 1 HICF NS(=O)(=O)c1ccc(N=Nc2c(O)[nH]c3cccc(CCc4ccncc4)c23)cc1 618008693 YTWUJKTZUCBCKZ-UHFFFAOYSA-N 421.482 4.117 10 1 HICF CCCCS(=O)(=O)N[C@@H](c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1)C(C)C 586933866 YZQRWRXOKWXJJE-HXUWFJFHSA-N 416.547 4.354 10 1 HICF C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3ccc(N)cc3)CC[C@H]12 261131622 LFESSVFWIJQGLT-VVUHAGMXSA-N 407.558 4.121 10 1 HICF Cc1ccc(O)c([C@]2(CC(=O)c3ccccc3)NCCc3c2c(C(C)C)nn3C)c1 962922158 QLRUJOJXBLCPAE-VWLOTQADSA-N 403.526 4.220 10 1 HICF CCCCC[C@@H](OC)c1c(O)cc2c(c1O)C(=O)c1c(OC)cc(OC)cc1C2=O 2356557219 FRGXUZKVGGIONY-MRXNPFEDSA-N 414.454 4.158 10 1 HICF O=c1c2c(O)c(O)ccc2c2cc(O)c(O)cc2n1Cc1ccc(Cl)c(Cl)c1 13737754 XRZJWPUIFWIDRE-UHFFFAOYSA-N 418.232 4.332 10 1 HICF CN1C(=O)C[C@H]2CN[C@@]3(C=C(c4ccccc4)Oc4cccc(O)c43)c3cccc1c32 963024811 LZRUKMUMITWNJY-QLXKLKPCSA-N 410.473 4.123 10 1 HICF Cc1cc(Cl)cc([C@H]2c3scnc3C[C@H](C(=O)O)N2C(=O)OC(C)(C)C)c1O 963148160 PDGKEZHJVXFMHJ-KGLIPLIRSA-N 424.906 4.146 10 1 HICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/N(C)C)(c2ccc(F)cc2O)N1 587725846 GTTRDROINUHRSM-JWUJALBPSA-N 423.301 4.286 10 1 HICF COc1ccc2c(c1)c([C@@H]1N[C@H](C(=O)C(F)(F)F)Cc3ccccc31)c(C)n2C 962712842 OKBJSFRMTKFXEZ-FXAWDEMLSA-N 402.416 4.230 10 1 HICF O=C(c1ccc(Br)o1)N1N=C(c2cccnc2)C[C@@H]1c1ccccc1O 71295610 WNEROHGKDZHSKR-OAHLLOKOSA-N 412.243 4.134 10 1 HICF O=[N+]([O-])OCCCNCc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O 71341578 IAQPTWXBUNHPJZ-UHFFFAOYSA-N 402.838 4.025 10 1 HICF COC(=O)c1ccc(-n2c(C)cc(C(=O)COc3ccc(NC(C)=O)cc3)c2C)cc1 208398649 BQZANZFRNAZTLQ-UHFFFAOYSA-N 420.465 4.101 10 1 HICF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)Oc3cc(O)cc(O)c32)N1 587835336 VRNJZZLNWAPQOH-FVINQWEUSA-N 422.294 4.338 10 1 HICF Cc1cccc2c3c(ccc12)-c1occ(CN2CCC(N(C)C)CC2)c1C(=O)C3=O 1772651208 YATFQFVDSSSXSE-UHFFFAOYSA-N 402.494 4.313 10 1 HICF Nc1ccc(Oc2ccc3nc(-c4cnn5cc(Br)cnc45)[nH]c3c2)cc1 587008754 NZJDSICCLZCPGA-UHFFFAOYSA-N 421.258 4.410 10 1 HICF COc1ccc(N2CCC3(CC2)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)cc1 587583855 VJELEPBCZLINHQ-QFIPXVFZSA-N 417.461 4.402 10 1 HICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\N(C)C)(c2ccc(F)cc2O)N1 587731256 YOBQHHPKRPAXQM-CASSFREASA-N 423.301 4.286 10 1 HICF CCCCOc1ccc([C@H]2N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c(O)c1 962994756 NUSIAHYSRJHAOH-HNAYVOBHSA-N 411.832 4.191 10 1 HICF COc1ccc(/C=C/C[C@@H](O)c2cc(O)c3c(c2O)C(=O)c2ccccc2C3=O)cc1 653849112 ZDOWULZBUGHTCU-VZSQWMKGSA-N 416.429 4.019 10 1 HICF O=C1c2cc(F)ccc2C(=O)c2c1nnn2-c1cc(F)c(-c2ccccc2F)c(F)c1 1911573299 NHIIWVOQTOYRGD-UHFFFAOYSA-N 423.325 4.266 10 1 HICF COc1cc2c3c(c1)O[C@@](C)(c1ccc(C(=O)C(=O)c4ccccc4)cc1)[C@@H](C2)C3=O 587446091 SZHSDZSBFUBTHI-FNZWTVRRSA-N 412.441 4.424 10 1 HICF O=C1C[C@](c2ccc(O)cc2)(c2ccc(O)c(O)c2O)Oc2c1ccc1c2CCCC1 587531416 FSEUUMSPSXSVPM-VWLOTQADSA-N 418.445 4.297 10 1 HICF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCOCC3)cc2)N1 587775444 SIMCYVLPZFXSLQ-QKKBWIMNSA-N 419.338 4.223 10 1 HICF O=C(C[C@@H]1SC(N=Nc2c(O)[nH]c3ccccc23)=NC1=O)Nc1ccc(F)cc1 617989200 OARVBHLDFZJANM-AWEZNQCLSA-N 411.418 4.123 10 1 HICF CC(=O)c1ccc2[nH]c(C(=O)N3CCN(c4ccc(OC(C)C)cc4)CC3)cc2c1 142039689 WDHUZZLYANGBDJ-UHFFFAOYSA-N 405.498 4.120 10 1 HICF COc1ccccc1[C@H]1NC(c2ccc3c(c2)OCO3)=C[C@@H](c2ccccc2O)N1 2934391 JBSBGVKKPACTTE-CYFREDJKSA-N 402.450 4.103 10 1 HICF Cc1ccccc1/C=C/C[C@@H](O)c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O 653846278 QEBYRDQELFBDQS-MBNRZODZSA-N 400.430 4.319 10 1 HICF N=C(N)N1CCN(c2ccc(/C=C/c3cc(F)cc(-c4ccncc4)c3)cc2)CC1 1857751750 QASVPBUHXFHHTG-OWOJBTEDSA-N 401.489 4.074 10 1 HICF CCc1cccc(CC)c1/N=N/C(=C1/NCCN1Cc1ccc(Cl)nc1)[N+](=O)[O-] 103218350 WSCIUWZVPASXEN-WMBONIIHSA-N 414.897 4.452 10 1 HICF CC(C)Oc1ncccc1-c1ccc2c3[nH]ncc3c(=O)n(CC(F)(F)F)c2c1 220063731 LGXUSDDYFVDBKI-UHFFFAOYSA-N 402.376 4.289 10 1 HICF COc1cc(O)c2c(=O)cc(-c3cc(O)c(O)cc3Cc3cccc(C)c3)oc2c1 653827742 XTVHQPFZTLPBDT-UHFFFAOYSA-N 404.418 4.485 10 1 HICF [N-]=[N+]=NCCOCCOCCOCC[C@H]1NCCc2cccc(-c3ccccc3)c21 962672292 WJDPRCQFSKVXBD-JOCHJYFZSA-N 410.518 4.291 10 1 HICF CN(C)CCOc1ccc([C@@H](c2c(O)ccc3ccccc23)N2CCC(O)CC2)cc1 72180878 SGMATPRJPLKGAC-SANMLTNESA-N 420.553 4.032 10 1 HICF COc1ccc([C@@H]2CC(c3ccc(O)c(C)c3)=NN2C(=O)c2ccncc2)cc1OC 35013074 UDRDWJBDTCWFKN-FQEVSTJZSA-N 417.465 4.104 10 1 HICF CNC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OCC4CC4)cc3)C2)cc1 1772575874 BICWZMQLUQKPNJ-GAJHUEQPSA-N 409.530 4.123 10 1 HICF CC[C@]1(CCCCN2CCN(c3ccc(OC)cc3)CC2)C(=O)Nc2ccccc21 29055173 QPPUPOCWKDEBEW-RUZDIDTESA-N 407.558 4.288 10 1 HICF Oc1c(O)c(Cl)c2c(c1Cl)CN(C(=S)NCCc1ccc(Cl)cc1)C2 29123312 YMMDFHPPZLEWMN-UHFFFAOYSA-N 417.745 4.491 10 1 HICF Cc1ccccc1N1CCN(C(=O)c2ccc(C(=O)O)c(-n3c(C)ccc3C)c2)CC1 1857611407 ZNBQOSXPRSIGPQ-UHFFFAOYSA-N 417.509 4.063 10 1 HICF Cc1cc(C)nc(NS(=O)(=O)c2ccc(/N=N\c3ccc(N(C)C)cc3)cc2)n1 103172167 JWRBEAWAGZKOLM-VHXPQNKSSA-N 410.503 4.376 10 1 HICF C[C@@H](Cc1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1)NC(=O)C(F)F 149638423 SBQQBKRZROYCIX-INIZCTEOSA-N 414.496 4.392 10 1 HICF Oc1cc2c3ccc(O)c(O)c3n(Cc3ccc(Br)cc3)c2cc1O 13737762 IUVIYUZTAZMEPI-UHFFFAOYSA-N 400.228 4.428 10 1 HICF COc1ccc(OCC(=O)N=Nc2c(O)[nH]c3ccc(F)cc23)c(Br)c1 617960061 MCBJHDSXGBYQOO-UHFFFAOYSA-N 422.210 4.473 10 1 HICF CN1CCc2c(Br)cccc2[C@]1(C)c1cc(Cl)cc([N+](=O)[O-])c1O 963271895 WYHFVJVZRFZMTR-QGZVFWFLSA-N 411.683 4.468 10 1 HICF CCOc1ccc(N2C(=O)/C(=C/c3ccc(Br)o3)C(O)=NC2=S)cc1 759557 IXMGWFLNWMFBNO-UKTHLTGXSA-N 421.272 4.112 10 1 HICF Nc1ccc(S(=O)(=O)Nc2nc(-c3cc(C(F)(F)F)ccc3F)cs2)cc1 578168 FKPKAHJGASPYDU-UHFFFAOYSA-N 417.409 4.351 10 1 HICF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCOCC3)cc2)N1 587774857 PNVQUSLEDVANCE-QKKBWIMNSA-N 419.338 4.223 10 1 HICF CCCCOc1ccc2cc(S(=O)(=O)Nc3ccc(O)cc3C(=O)O)ccc2c1 72113164 NGKXWNZEQDFBEP-UHFFFAOYSA-N 415.467 4.223 10 1 HICF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cnoc2)(c2ccccc2O)N1 587790949 DEDXODUGTLOWOR-JEOXALJRSA-N 403.251 4.108 10 1 HICF CC(=O)N[C@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OCC4CC4)cc3)C2)c(F)c1 1772602941 BRJYKRPEFMQBNQ-OPAMFIHVSA-N 412.505 4.469 10 1 HICF O=C(/C=C/c1ccccc1)Nc1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1 26745384 IWNFWVGVNAPRLX-ZHACJKMWSA-N 405.542 4.236 10 1 HICF CCCNC(=O)CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)SC1=S 40866317 FCWRHOLXBLHAQQ-YBEGLDIGSA-N 420.943 4.327 10 1 HICF CC(C)C[C@H](NC(=O)Cn1ccc2ccc(-c3cncc4ccccc34)cc21)C(=O)O 299831698 DSGAQGFOWYUCLM-QFIPXVFZSA-N 415.493 4.472 10 1 HICF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@@H](O)c1ccc(N(C)C)cc1)O2 587387409 PQAPLSXLEZDSFZ-DQEYMECFSA-N 402.494 4.238 10 1 HICF Oc1ccccc1[C@]1(c2cnoc2)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962643163 PTKHYFRLIVONSM-HOFKKMOUSA-N 423.516 4.419 10 1 HICF O=C(Cc1ccc(Cl)cc1)c1nc2c3c(ccc2[nH]1)C(=O)c1ccccc1C3=O 587072889 ZFAUTLLXDVZLRL-UHFFFAOYSA-N 400.821 4.417 10 1 HICF CC(C)Oc1cc2[nH]c(-c3ccc(N(C)CCO)cc3)nc2cc1Br 587192924 KQDSJFUPTKPIHW-UHFFFAOYSA-N 404.308 4.208 10 1 HICF O=C(Nc1ccc(/N=N\c2ccccc2)c(NC(=O)[C@@H]2CCCO2)c1)[C@@H]1CCCO1 102178822 GOOBZODYDNMMBG-PSJGBMLXSA-N 408.458 4.337 10 1 HICF CCCOc1cc2[nH]c(-c3ccc(N(C)CCO)cc3)nc2cc1Br 587193376 ZWIPSAJKIAOXMT-UHFFFAOYSA-N 404.308 4.210 10 1 HICF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)n(-c3ccc4c(c3)OCCO4)c1C)O2 587390065 PCTUOBJTNVRILX-QFIPXVFZSA-N 404.466 4.462 10 1 HICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cnoc2)(c2ccccc2O)N1 587795322 NVSNMLVDYGSDGQ-WYRIXSBYSA-N 403.251 4.108 10 1 HICF CN1c2ccccc2C(=O)N2CCc3c(n(CCCCCCO)c4ccccc34)[C@H]21 1772634678 QJZLKVSPFFVNJJ-DEOSSOPVSA-N 403.526 4.341 10 1 HICF CCC[C@H]1c2cc[nH]c2C=C[C@H]1C(=O)CC(=O)CCc1cc(CNC)c(O)c(OC)c1 2356293021 ZKLMPSWRJFPSPJ-PZJWPPBQSA-N 424.541 4.136 10 1 HICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cnc(C(F)(F)F)[nH]c-3n1)[C@@H]1CC=C[C@@H]21 587271329 ASLPHGHMZVDLQM-HFAKWTLXSA-N 416.363 4.366 10 1 HICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C=O)c3c(c2)CCCN3C)N1 587768675 VQAWKDDDTHDZPD-MPBGBICISA-N 417.322 4.407 10 1 HICF Cc1cc(C)c([C@]2(C)N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)c(O)c1 962915737 BGLPJMFMYSAYRY-SQJMNOBHSA-N 419.477 4.369 10 1 HICF Cc1cc(C2=NN(C(=O)c3ccncc3)[C@@H](c3ccc(N(C)C)cc3)C2)ccc1O 35013064 CJAZCKNZQAKZLV-JOCHJYFZSA-N 400.482 4.153 10 1 HICF CN(C)Cc1cc([C@@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)ccc1O 962644387 QWWWWTLVVVDHJV-RPLLCQBOSA-N 413.565 4.290 10 1 HICF COc1cc2c(cc1OC)[C@H](COc1ccc(N)cc1)N(C(=O)c1ccccc1)CC2 96906939 DTEHXJMEFPPEBC-QFIPXVFZSA-N 418.493 4.105 10 1 HICF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OCC4CC4)cc3)C2)c(F)c1 1772602940 BRJYKRPEFMQBNQ-KSFYIVLOSA-N 412.505 4.469 10 1 HICF COC(=O)c1ccccc1-n1c(C)cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1C 587388962 IEFXLWQFCYGGTI-JOCHJYFZSA-N 404.466 4.478 10 1 HICF COc1cc(C)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1OC 587810439 XKVUKACUPURIGL-BMLIUANNSA-N 410.283 4.243 10 1 HICF CN(C)c1ccc([C@H]2C(=O)N(C3CCCCC3)CC(=O)N2Cc2cccs2)cc1 6919901 PMKWJMWXARWVBR-QFIPXVFZSA-N 411.571 4.059 10 1 HICF COC(=O)c1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@H]43)[nH]c2c1 587275614 FAOORYFFYPSICC-STXHMFSFSA-N 404.426 4.393 10 1 HICF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(-c3ccc(OCC(=O)O)cc3)c1C)O2 587388577 DJDKRTBWKJOLFH-JOCHJYFZSA-N 420.465 4.155 10 1 HICF Cc1nn(-c2ccccc2)c(O)c1[C@H]1c2ccsc2CCN1Cc1cccn1C 962397680 LGUBZLUXBVOPQM-JOCHJYFZSA-N 404.539 4.434 10 1 HICF CN(C)c1ccc([C@]2(C(F)(F)F)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1 962704885 DRLJUKKBJDXNBF-AEFFLSMTSA-N 416.365 4.204 10 1 HICF Cc1cc(Cl)cc([C@@H]2c3scnc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)c1O 963148168 PDGKEZHJVXFMHJ-UONOGXRCSA-N 424.906 4.146 10 1 HICF O=C1Nc2ccccc2/C1=C1\C(=O)N(CCc2ccc([N+](=O)[O-])cc2)c2ccccc21 45392031 MVWKBHUBRQZOHB-QURGRASLSA-N 411.417 4.047 10 1 HICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(F)cc([N+](=O)[O-])c2O)N1 587726929 MOPUVXUHDQOTJZ-CQLKUDPESA-N 413.218 4.139 10 1 HICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\N(C)C)(c2ccc(F)cc2O)N1 587731259 YOBQHHPKRPAXQM-QVQAYWOCSA-N 423.301 4.286 10 1 HICF Cc1nn(-c2ccccc2)c(O)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587754151 CXURHPMPGFDZGP-NSPYISDASA-N 416.294 4.412 10 1 HICF CN1Cn2c3c(c4ccc(Br)cc42)CCN(C)[C@@H]3[C@H]1Cc1ccccc1 2356565305 VMQMWTAVKZBXAC-IFMALSPDSA-N 410.359 4.447 10 1 HICF Cc1cc(C)c2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)N2 4758370 NLQGZVKXLTWART-HFMPRLQTSA-N 424.566 4.151 10 1 HICF CN(CCO)c1ccc(-c2nc3c(Br)cc(C(F)(F)F)cc3[nH]2)cc1 587193082 RVKSACBWCCUYOZ-UHFFFAOYSA-N 414.225 4.440 10 1 HICF O=C(CCc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)Nc1cccc(F)c1 587163630 SVHBXIUWHLGQAR-UHFFFAOYSA-N 413.408 4.049 10 1 HICF CCC[C@@]1(c2cc(O)c(O)cc2O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587824358 ZYMDPHUOWYJZMH-OVWNDWIMSA-N 410.283 4.283 10 1 HICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\N(C)C)(c2ccc(F)cc2O)N1 587725847 GTTRDROINUHRSM-JYRXRCSTSA-N 423.301 4.286 10 1 HICF COc1ccc2c(c1)[C@@H](c1cc(Br)cc([N+](=O)[O-])c1O)N(C(C)C)CC2 962092872 RBAPLEBJPPRJJD-SFHVURJKSA-N 421.291 4.427 10 1 HICF CC(C)c1cc2c(c(O)c1O)[C@@]1(c3nnc([C@H](C)N)o3)CCCC(C)(C)[C@@H]1CC2=O 1857534654 VRURHKJEUMSMRO-KMYNHVJPSA-N 413.518 4.323 10 1 HICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cnoc2)(c2ccccc2O)N1 587795320 NVSNMLVDYGSDGQ-NSPYISDASA-N 403.251 4.108 10 1 HICF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(-c3ccc4c(c3)OCCO4)c1C)O2 587390061 PCTUOBJTNVRILX-JOCHJYFZSA-N 404.466 4.462 10 1 HICF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCOCC3)c(F)c2)N1 587723966 CVFDWUDYJQAXEY-FKIZINRSSA-N 423.301 4.188 10 1 HICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N(C)C)c([N+](=O)[O-])c2)N1 587747937 RAAMGRRZKZKXQT-MLCYQJTMSA-N 408.271 4.186 10 1 HICF Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)n1[C@@H](COc1cc(F)cc(F)c1)N=O 587946167 TXZCIQXQZIYBJJ-FQEVSTJZSA-N 420.437 4.489 10 1 HICF CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1/N=N\c1c(O)[nH]c2ccccc12 17860334 ZXANFFNPFNDQRN-MRCUWXFGSA-N 417.447 4.228 10 1 HICF COc1cc2c3c(c1)O[C@H](c1cc(C)n(-c4ccc5c(c4)OCO5)c1C)[C@@H](C2)C3=O 587429699 CMLYAMMWBRGWDI-MHECFPHRSA-N 403.434 4.320 10 1 HICF Cc1nn(-c2ccccc2)c(O)c1[C@@H]1c2ccsc2CCN1Cc1cccn1C 962397681 LGUBZLUXBVOPQM-QFIPXVFZSA-N 404.539 4.434 10 1 HICF Cc1cc(O)c([C@]2(c3ccccc3)N[C@H](C(=O)O)Cc3cc(F)ccc32)cc1Cl 962891699 CFXYAWLXJNCWDO-NZQKXSOJSA-N 411.860 4.384 10 1 HICF CCCCS(=O)(=O)N[C@H](c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1)C(C)C 586933865 YZQRWRXOKWXJJE-FQEVSTJZSA-N 416.547 4.354 10 1 HICF C[C@@]1([C@H]2C(=O)c3cccc([N+](=O)[O-])c3C2=O)NCCc2cc(-c3ccccc3)ccc21 962665348 KEHSCMGIXKVPNB-WIOPSUGQSA-N 412.445 4.318 10 1 HICF O=C1c2ccccc2[C@]2(c3c(F)cccc3C[C@@H]3CCCN32)c2c(O)ccc(O)c21 963097855 IBUSRZJDAYDSQT-MQNRADLISA-N 401.437 4.094 10 1 HICF CN1c2ccccc2C(=O)N2CCc3c(n(C(=O)c4ccccc4)c4ccccc34)[C@@H]21 64235751 CXCZNOXVHJPKPC-XMMPIXPASA-N 407.473 4.477 10 1 HICF CC[C@@]1(c2cc([N+](=O)[O-])ccc2O)N[C@H](C)Cc2cc(Br)c(F)cc21 587747583 ORGFZGKUPMPEPI-MLCYQJTMSA-N 409.255 4.390 10 1 HICF CN1C(=O)C[C@@H]2CN[C@](c3ccccc3)(c3ccc(Cl)cc3O)c3cccc1c32 963018442 FPDXTRBBHYUFKF-OYLFLEFRSA-N 404.897 4.391 10 1 HICF CC(=O)N1N=C(c2ccc(-n3c(C)ccc3C)cc2)O[C@@H]1c1ccccc1[N+](=O)[O-] 103193020 FOADKDWFWXMRJN-JOCHJYFZSA-N 404.426 4.241 10 1 HICF COc1ccc(OC)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O 587804924 DKUZVINSWKRINR-APBUJDDRSA-N 410.283 4.109 10 1 HICF COc1cc(Cl)ccc1-c1ccc(CCC(=O)O)n1-c1ccc(C(N)=O)cc1C 71282283 LIMQYPDBAYMJLP-UHFFFAOYSA-N 412.873 4.231 10 1 HICF O=C(NCc1ccc(N2C[C@H]3CCCC[C@@H]3C2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1857647669 SSRGVPZMVCXNEJ-IAGOWNOFSA-N 424.457 4.059 10 1 HICF CCC[C@]1(c2cc(O)c(O)cc2O)N[C@H](C)Cc2ccc(F)c(Br)c21 587824357 ZYMDPHUOWYJZMH-GIGQVBGESA-N 410.283 4.283 10 1 HICF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1ccc(O)c(O)c12 587532655 MPQYBQUGTGUINW-AREMUKBSSA-N 412.441 4.430 10 1 HICF COc1cc(O)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587809905 VSDXSUDAOYUDNA-APBUJDDRSA-N 410.283 4.109 10 1 HICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc([C@H](N)N=O)cc3[nH]1)[C@H]1CC=C[C@H]21 587275863 HCKPJTNSVZKEHL-WZBLMQSHSA-N 404.430 4.330 10 1 HICF C[C@]1([C@@H]2C(=O)c3cccc([N+](=O)[O-])c3C2=O)NCCc2cc(-c3ccccc3)ccc21 962665345 KEHSCMGIXKVPNB-RDGATRHJSA-N 412.445 4.318 10 1 HICF COc1cccc(-c2ccc(O)c(CNC3CCN(Cc4ccccc4)CC3)c2)n1 52569873 DZWSCMZOZYDOTB-UHFFFAOYSA-N 403.526 4.217 10 1 HICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc([C@H](N)N=O)cc3[nH]1)[C@H]1CC=C[C@@H]21 587275859 HCKPJTNSVZKEHL-BBNYVJOESA-N 404.430 4.330 10 1 HICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc4c(cc3[nH]1)OCCO4)[C@@H]1CC=C[C@H]21 587276414 LESFDTCCXDVXJG-QTCYRWPVSA-N 404.426 4.377 10 1 HICF O=C(O)Cn1c2c(c3cc(F)ccc31)CN(C(=O)c1ccc3ccccc3c1)CC2 1857763812 OSPYHSMJASUWOU-UHFFFAOYSA-N 402.425 4.217 10 1 HICF Cc1cc2c(c3oc(=O)c([Si](C)(C)C)cc13)C(=O)c1c(OC(C)C)cccc1C2=O 473081230 AHAXGZGKIIOWIX-UHFFFAOYSA-N 420.537 4.209 10 1 HICF COc1cc(C)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1OC 587807142 LNICYFHDYDJSPH-DYZYQPBXSA-N 410.283 4.243 10 1 HICF CC(C)CNc1ncnc2c1nc(-c1ccc(N3CCCC3)cc1)n2C[C@@H]1CCCO1 82177906 XNNAXMKVUMECJI-FQEVSTJZSA-N 420.561 4.340 10 1 HICF CCOc1n[nH]c(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c1Br 586980168 OSLQMWKXBNDKKY-UHFFFAOYSA-N 414.263 4.489 10 1 HICF CCc1cc([C@@H]2[C@@H](c3ccccc3)C(=O)N2c2ccc3c(c2)OCCO3)c(O)cc1O 72119933 BMFGRVRAPJWJQD-DNQXCXABSA-N 417.461 4.303 10 1 HICF O=C(Nc1ccnnc1)c1cc(N2CCC(F)CC2)ccc1OCc1ccccc1 1857592479 QYNDNRURDHERQS-UHFFFAOYSA-N 406.461 4.246 10 1 HICF Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](OCc1cc(F)cc(F)c1)C2 49050376 QLYDVXROSRWHOJ-FCHUYYIVSA-N 416.376 4.049 10 1 HICF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3ncoc3CCC(F)(F)F)[nH]c21 587092494 QBCCBZDAAHBOMM-UHFFFAOYSA-N 411.339 4.488 10 1 HICF CN(C)c1ccc([C@@]2(C)N[C@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)cc1 963180418 NBHRNJIKOMFRRZ-PKOBYXMFSA-N 412.839 4.287 10 1 HICF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/N(C)C)(c2ccccc2O)N1 587741494 NSGBOXNWUQESHN-CXGVDJRBSA-N 405.311 4.147 10 1 HICF CCOc1ccc(N2CC[C@]3(C2)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)cc1 587584172 WZQXZHBROKLHLR-WIOPSUGQSA-N 417.461 4.402 10 1 HICF COc1cc2nc3c(cc2c(CN2CCOCC2)c1O)CSc1ccc(C)cc1-3 43122553 VCYRFKFTDRIKTG-UHFFFAOYSA-N 408.523 4.362 10 1 HICF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)n(-c3ccc(OCC(=O)O)cc3)c1C)O2 587388584 DJDKRTBWKJOLFH-QFIPXVFZSA-N 420.465 4.155 10 1 HICF CC(=O)N1CCN(Cc2cc(Cl)cc(-c3cc4c5c(cccc5n3)CC4)c2O)CC1 587209587 SNHHTRODIAYIJX-UHFFFAOYSA-N 421.928 4.024 10 1 HICF O=S(=O)(O)c1ccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2c1 587079203 BCZLHLUUNSJGIG-JCGVRSQUSA-N 401.875 4.290 10 1 HICF CN1c2ccc(C3=CCCCC3)cc2[C@H]2[C@H](CCN2C(=O)NC2CCCC2)[C@@H]1CO 95864481 WPJYQKYCRIBKOI-FGCOXFRFSA-N 409.574 4.470 10 1 HICF Cc1ccc([C@@]2(c3cc(O)c(O)c([N+](=O)[O-])c3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587390942 SPAVQEUGMVLKNC-HSZRJFAPSA-N 420.421 4.114 10 1 HICF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccc(O)c(O)c1O)CC2=O 587490934 SXUMDYKDQFXXCW-XMMPIXPASA-N 406.434 4.371 10 1 HICF COc1cc(Br)ccc1OCC(=O)N=Nc1c(O)[nH]c2ccc(F)cc12 617960045 FIZWIDGXWYNLTE-UHFFFAOYSA-N 422.210 4.473 10 1 HICF CC1(C)C[C@@]2(CN(Cc3ccc(N)cc3)CCO2)c2cc(Br)ccc2O1 35079537 SONAGVOUCSVDJG-OAQYLSRUSA-N 417.347 4.320 10 1 HICF CCOC(=O)/C(N=Nc1c(C)n(C)n(-c2ccccc2)c1=O)=C(/O)c1ccccc1 299849345 JOOPMRGDBSHSEA-VKDKGKJGSA-N 406.442 4.058 10 1 HICF CCOc1ccc2c(c1)C(=O)c1c-2n(CCCN=[N+]=[N-])c(=O)c2cc([N+](=O)[O-])ccc12 28711227 UZELVQXOBSGOKP-UHFFFAOYSA-N 419.397 4.220 10 1 HICF COc1cccc(-n2ncc3c(/N=N/Cc4ccc(CN(C)C)cc4)ncnc32)c1 169685269 LKWMJQPCSIFXNT-IMVLJIQESA-N 401.474 4.170 10 1 HICF COc1ccc(OC)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O 587810424 XFMDINOXOYWKRN-APBUJDDRSA-N 410.283 4.109 10 1 HICF CCN1CCN(CCCNc2c3ccc(Cl)cc3nc3ccc(OC)cc23)CC1 45186670 MOMOMWSYHQVUQX-UHFFFAOYSA-N 412.965 4.490 10 1 HICF Cc1ccc(NC(=O)CCCCC[C@@H](C)NC[C@@H](O)c2ccc(O)c(O)c2)cc1 27554299 BZEMPNUSTRESHL-VGOFRKELSA-N 400.519 4.007 10 1 HICF COc1cc2c3c(c1)O[C@](C)(c1cc(C)n(-c4ccc(C(=O)O)cc4)c1C)[C@@H](C2)C3=O 587432776 ZAQSDTBNEVCDSM-NBGIEHNGSA-N 417.461 4.464 10 1 HICF CN1C(=O)C[C@H]2CN[C@@](C)(c3cc(Cl)cc(Br)c3O)c3cccc1c32 963022221 IGKKHWGRIWAAFV-APBUJDDRSA-N 421.722 4.125 10 1 HICF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3c4c(ccc3[nH]2)C(=O)c2ccccc2C4=O)cc1 587785806 OXCLBZNQQLNUDO-OALUTQOASA-N 422.440 4.282 10 1 HICF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(O)ccc3ccc(=O)oc23)N1 587837538 ILCISYVINVBXQE-FVINQWEUSA-N 418.262 4.198 10 1 HICF COc1ccc(N2CCN(C[C@]3(C)CCc4c(C)c(O)c(C)c(C)c4O3)CC2)cc1 13651328 MILMMBMFVGRPFE-VWLOTQADSA-N 410.558 4.232 10 1 HICF Oc1c(CN2CCCC2)ccc(Nc2ncnc3ccccc23)c1CN1CCCC1 27888851 JOLHZPNRZBKRBY-UHFFFAOYSA-N 403.530 4.271 10 1 HICF CCc1ccc(C(=O)NC[C@@H]2C[C@@H]3c4cccc5c4c(cn5C)C[C@H]3N(C)C2)cc1 103297499 CDFSYUZFRBOILN-KUWBRRTOSA-N 401.554 4.131 10 1 HICF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(N3CCC(C(=O)O)CC3)cc2)N1 962955676 XWRLWTQQWQDNEP-FDDCHVKYSA-N 403.526 4.483 10 1 HICF O=C(OCc1ccccc1)N1CCc2ccc(N3CCN(C4CCCC4)CC3)cc2C1 1857631473 UQSVESYMRYILGP-UHFFFAOYSA-N 419.569 4.446 10 1 HICF COc1ccc(N2C(=O)[C@@H](Cc3ccc(O)c(Br)c3)SC2=S)cc1 84635866 KOHZQYGTRTUKSS-OAHLLOKOSA-N 424.341 4.139 10 1 HICF CCS(=O)(=O)c1cccc(Cc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c1 586920939 ADQFOOYYOYQDOZ-UHFFFAOYSA-N 407.495 4.322 10 1 HICF COC(=O)c1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@@H]43)[nH]c2c1 587275608 FAOORYFFYPSICC-AUSJPIAWSA-N 404.426 4.393 10 1 HICF COc1ccc(C(=O)Nc2ccc(CCC(=O)CCc3ccc(O)c(O)c3)cc2)cc1 1772589346 ILANLPVLHGQKNJ-UHFFFAOYSA-N 419.477 4.493 10 1 HICF C[C@@]1(c2ccc(Br)cc2O)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962730327 NEXPNPITACNZMI-RHSMWYFYSA-N 414.221 4.064 10 1 HICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc4c(cc3[nH]1)OCCO4)[C@H]1CC=C[C@H]21 587276415 LESFDTCCXDVXJG-RXSFTSLZSA-N 404.426 4.377 10 1 HICF O=C(c1ccc(Br)o1)N1N=C(c2cccnc2)C[C@H]1c1ccccc1O 71295609 WNEROHGKDZHSKR-HNNXBMFYSA-N 412.243 4.134 10 1 HICF COc1cc(CCC(=O)C[C@H](CC[C@H]2C=CC=C[C@H]2C)OC(C)=O)cc(O)c1O 2356692088 IXNQZCNWAXJTNI-ZTNFWEORSA-N 402.487 4.088 10 1 HICF CCOc1ccccc1CCNC1=NC(=O)/C(=C/c2ccc3ncccc3c2)S1 28821301 CICPDYLQPUYZLT-QNGOZBTKSA-N 403.507 4.436 10 1 HICF CCOc1cc([C@H]2CC(c3ccc(O)cc3)=NN2C(=O)c2cccnc2)ccc1OC 45283332 VROYQIFGFSLILK-OAQYLSRUSA-N 417.465 4.186 10 1 HICF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCOCC3)cc2)N1 587770126 CFNZMURGPFCCKT-RBZFPXEDSA-N 405.311 4.048 10 1 HICF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@H](c2c(O)ccc3ncccc23)N1 963166942 CXAYIZBUARYWSN-ACJLOTCBSA-N 422.790 4.301 10 1 HICF Cn1c(-c2ccc(Cl)cc2NC(=N)N)ccc1-c1ccc(Cl)cc1N[N+](=N)N 28462198 OGMZYOFYPPJZPU-UHFFFAOYSA-O 418.312 4.215 10 1 HICF COc1ccccc1OCC(=O)/N=N/c1c(O)[nH]c2ccc(Br)cc12 103969488 XECPGKPBCXPZBS-QZQOTICOSA-N 404.220 4.334 10 1 HICF COc1ccc([C@H](O)[C@@H](C)c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1 587937140 NJUCXJPLTBXUBI-MCMMXHMISA-N 412.445 4.184 10 1 HICF COc1cc(CCC(=O)C[C@H](CC[C@@H]2C=CC=C[C@@H]2C)OC(C)=O)cc(O)c1O 2356692087 IXNQZCNWAXJTNI-QSFXBCCZSA-N 402.487 4.088 10 1 HICF Oc1c(O)c(Cl)c2c(c1Cl)CCN(C(=S)NCCCc1ccccc1)C2 29131695 CGZNLVKTYUXMQH-UHFFFAOYSA-N 411.354 4.270 10 1 HICF O=C(NCCc1ccc(Cl)cc1)N1CCc2c(Cl)c(O)c(O)c(Cl)c2C1 29131701 RUJFKQVEBGENHQ-UHFFFAOYSA-N 415.704 4.368 10 1 HICF Cc1nn(-c2ccccc2)c(O)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587583964 XNZRCMQJDDTLIY-OFNKIYASSA-N 414.417 4.295 10 1 HICF Clc1ccc(-c2cc3c(o2)-c2nncn2-c2ccc(N4CCNCC4)cc2C3)cc1 73224225 CPKRQGKZSQPZPY-UHFFFAOYSA-N 417.900 4.162 10 1 HICF CCCCNC(=O)Oc1ccc2c(c1)C(=O)N1CCc3c([nH]c4ccccc34)[C@@H]1N2C 169341034 GVGRPDDJVVCUSK-JOCHJYFZSA-N 418.497 4.203 10 1 HICF COc1ccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4C[C@]5(C)CCC=C(C)C5=C[C@H]43)CC2)cc1 504224241 FQPQZNXUZPLMNR-HEJCWENXSA-N 422.569 4.052 10 1 HICF biogenic CN1C[C@@H](CNC(=O)OCc2ccccc2)C[C@H]2c3cccc4c3c(cn4C)C[C@H]21 3873778 WZHJKEUHNJHDLS-RZFNWQHOSA-N 403.526 4.065 10 3 HICF world CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2ccc(O)c(O)c21 587477296 FKDDOVPMOMSTKG-VWLOTQADSA-N 416.429 4.209 10 1 HICF O=C1c2ccccc2C(=O)c2c(NCc3ccccc3)nnc(NCc3ccccc3)c21 27626655 YBXSCCIGNSCEIS-UHFFFAOYSA-N 420.472 4.476 10 1 HICF Cc1ccc(C(=O)Oc2cc(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c23)cc1 64448900 LDYNATLHPFCQHO-UHFFFAOYSA-N 404.374 4.104 10 1 HICF C[C@H](NC(=O)c1cncs1)c1ccc(C2CN(c3ccc4c(c3)OCCO4)C2)cc1 150206726 LRRFMHTWAHKSFU-HNNXBMFYSA-N 421.522 4.009 10 1 HICF CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(-[c-]2cc([N+](=O)[O-])ccc2=O)o1 169690330 MWIVAJVMKOFEHK-PDGQHHTCSA-N 402.386 4.048 10 1 HICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C2C(=O)c3ccccc3C2=O)N1 587819537 IQMSFLFYRKVKNI-SBKAZYGRSA-N 402.263 4.033 10 1 HICF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)/C(=C/O)C[C@]4(C)[C@H]3CC[C@]12C 253635806 TXCCBMQDPKCDKY-XXOPREMJSA-N 416.606 4.386 10 1 HICF CCOC(=O)C1=C(C)[N+](C)(C)c2ccc3c(c21)CN1CCc2cc(OC)ccc2[C@@H]1O3 299818523 MSZJZWGLYZXWAH-DEOSSOPVSA-N 421.517 4.019 10 1 HICF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2c1ccc(O)c2O 587475821 ARRKJCIPYQKSLC-RUZDIDTESA-N 416.429 4.209 10 1 HICF C[C@]12CC[C@@H]3[C@@H](CC[C@@H]4NC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2C(=O)Nc1ccc(N)cc1 26969062 LFESSVFWIJQGLT-YOGQACPKSA-N 407.558 4.121 10 1 HICF CCN1C(=CC=C2C=Nc3ccccc32)N(C2CC2)[C@@H]2C(=O)c3ccccc3C(=O)[C@@H]21 1857537206 CNMBDCPSEKTGND-RPWUZVMVSA-N 409.489 4.244 10 1 HICF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCC(O)CC3)cc2)N1 587765505 CUWFUBJVGRRFJE-ZSEKCTLFSA-N 419.338 4.173 10 1 HICF CN(C)c1ccc(CNC(=O)[C@@H]2CNC[C@H]2c2ccc(Oc3ccccc3)cc2)cc1 1857553703 GWQNUWBDOCICJI-LOSJGSFVSA-N 415.537 4.164 10 1 HICF COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cc(N)ccc12 5138628 LXDSICMNXVGBMG-UHFFFAOYSA-N 408.483 4.094 10 1 HICF CC(C)(C)c1cc(Br)c(O)c([C@@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)c1 962902823 VNLCOIUFRNMGSA-DLBZAZTESA-N 422.294 4.280 10 1 HICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(C(=O)O)c(F)cc3[nH]1)[C@@H]1CC=C[C@@H]21 587277550 YCENWPWMNIPDGF-CLUVUEOHSA-N 408.389 4.443 10 1 HICF O=C1c2ccccc2C(=O)c2c1ccc1nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c21 587126950 PAIBDJBSJOSLOG-UHFFFAOYSA-N 414.383 4.278 10 1 HICF O=C(Nc1ccc(/N=N\c2ccccc2)c(NC(=O)[C@H]2CCCO2)c1)[C@@H]1CCCO1 102178831 GOOBZODYDNMMBG-VWQJDKNVSA-N 408.458 4.337 10 1 HICF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCOCC3)cc2)N1 587770128 CFNZMURGPFCCKT-RNODOKPDSA-N 405.311 4.048 10 1 HICF CCCN(CCN1CCN(Cc2cc3ccccc3[nH]2)CC1)c1ccc(OC)cc1 473136406 QYPRFHORBTUPLV-UHFFFAOYSA-N 406.574 4.211 10 1 HICF COC(=O)c1ccccc1-n1c(C)cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C 587429958 FCEBYCAOUJQVTQ-DVECYGJZSA-N 417.461 4.378 10 1 HICF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(N3CCC(C(=O)O)CC3)cc2)N1 962955684 XWRLWTQQWQDNEP-WZONZLPQSA-N 403.526 4.483 10 1 HICF O=C(/C=C/c1ccc(O)c(O)c1)NCCCNc1c2c(nc3ccccc13)CCCC2 95578864 AEMIQXVCZRZSRZ-ACCUITESSA-N 417.509 4.156 10 1 HICF O=C(CN1CCCCC1)N1N=C(c2ccc(F)cc2)C[C@H]1c1cc(Cl)ccc1O 299856833 CGVBOECGFKXDDK-FQEVSTJZSA-N 415.896 4.348 10 1 HICF O=C1c2ccccc2C(=O)c2c(O)c([C@@H](O)C/C=C/c3ccc(F)cc3)cc(O)c21 653849056 DBOCLUDNCQUKCD-WHLIDYPQSA-N 404.393 4.149 10 1 HICF CC[C@@H]1C(=O)N(c2ccccc2)N(c2ccc3c(c2)c(C2CC2)cc(=O)n3CC)C1=O 1857565458 IHGPOFVVNCLMDX-LJQANCHMSA-N 415.493 4.220 10 1 HICF C[C@]12CC[C@@H]3[C@H](CC[C@H]4NC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2C(=O)Nc1ccc(N)cc1 36189349 LFESSVFWIJQGLT-MNLGXKRNSA-N 407.558 4.121 10 1 HICF COc1ccc(CCn2c3c(c4c2-c2ccccc2C4=O)C(=O)CCC3)cc1OC 73314424 AJTMYYQPOPJPTE-UHFFFAOYSA-N 401.462 4.478 10 1 HICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cnc(C(F)(F)F)[nH]c-3n1)[C@@H]1CC=C[C@H]21 587271337 ASLPHGHMZVDLQM-RWSFTLGLSA-N 416.363 4.366 10 1 HICF CC(=O)c1ccc2c(c1)[C@](C)(C(C)(C)N=[N+]=[N-])N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962628795 QJXZLGUPIZYAEE-HRAATJIYSA-N 416.478 4.440 10 1 HICF CCN(CC)c1ccc(/C=C2\SC(=S)N([C@@H](CC(C)C)C(=O)O)C2=O)cc1 1772611314 PPYXUCOFGGWZJO-BQGMYUGNSA-N 406.573 4.233 10 1 HICF OCCCc1ccc(CCc2c(/C=C/c3ccc(O)c(O)c3)ccc(O)c2O)cc1 85569242 CADSTDLOHSYHBO-JXMROGBWSA-N 406.478 4.390 10 1 HICF biogenic,in-vitro Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cnc(C(F)(F)F)[nH]c-3n1)[C@H]1CC=C[C@H]21 587271333 ASLPHGHMZVDLQM-PGUXBMHVSA-N 416.363 4.366 10 1 HICF C/C(=C\COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O)C/C=C/C(C)(C)O 35049316 FAUQLQYXYZFMJO-MNJDMZAHSA-N 422.477 4.224 10 1 HICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc4nc(O)[nH]c4cc3[nH]1)[C@H]1CC=C[C@H]21 587275244 AKVOWTABZGGHLS-ZKTNFTSUSA-N 402.414 4.188 10 1 HICF CN1c2ccc(C3=CCCCC3)cc2[C@@H]2[C@@H](CCN2C(=O)NC2CCCC2)[C@H]1CO 95864547 WPJYQKYCRIBKOI-ZTCOLXNVSA-N 409.574 4.470 10 1 HICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)cc([N+](=O)[O-])c2O)N1 587693516 DIYRVSMYYQRNIQ-KWKYVRJSSA-N 415.646 4.479 10 1 HICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N(C)C)c3nsnc23)N1 587860100 ZVRAYESWKBQBHO-JDNHERCYSA-N 421.339 4.283 10 1 HICF COc1c(O)c(O)cc2c(C)c3c(cc12)C(=O)[C@@](C)(CCCC(=O)OC(C)C)CO3 2356658649 ZNFDBZPKXKIQNA-QHCPKHFHSA-N 416.470 4.271 10 1 HICF O=C(c1cc(-c2ccco2)on1)N1N=C(c2cccnc2)C[C@@H]1c1ccccc1O 71281673 CGRWJHIINBAVDB-GOSISDBHSA-N 400.394 4.027 10 1 HICF NC[C@@H](Cc1ccc(Cl)cc1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587071126 WELXLEVGEXRPDD-CQSZACIVSA-N 415.880 4.277 10 1 HICF O=C(/C=C/c1ccc(O)c(O)c1)OCCc1cccc(OCCc2cccc(O)c2)c1 473154956 NIXPUWCVVMXORF-CSKARUKUSA-N 420.461 4.224 10 1 HICF COc1cc(C)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1OC 587810443 XKVUKACUPURIGL-DYZYQPBXSA-N 410.283 4.243 10 1 HICF CNC(=O)c1ccncc1Nc1cc(-c2ccc3ccn(C)c3c2)c2nccnc2c1 1857570184 MCBLLPDUYDRZBU-UHFFFAOYSA-N 408.465 4.287 10 1 HICF CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cccc([N+](=O)[O-])c23)cc1 26941028 SIUYHZUXXQNBTA-UHFFFAOYSA-N 408.439 4.411 10 1 HICF CC[C@@]1(c2ccc(O)c(O)c2)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962644978 RUCLHGMABKTOPS-ATIYNZHBSA-N 400.522 4.498 10 1 HICF CC[C@H](CN(C)C)NC(=O)c1cccc2nc3ccc4c(OC)cccc4c3nc12 27854206 GRLXOPDTDIBGHB-OAHLLOKOSA-N 402.498 4.015 10 1 HICF COc1ccccc1OCC(=O)/N=N/c1c(O)[nH]c2c(Br)cccc12 103965894 CYYSEDNJLJYVHL-QZQOTICOSA-N 404.220 4.334 10 1 HICF C[C@H](NC(=O)[C@H]1CCOC1)c1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1 149972261 GUDYYVWSLLHNDB-AVRDEDQJSA-N 420.553 4.293 10 1 HICF CCOC(=O)c1sc(/N=N/Cc2cc(Br)c(O)c(OC)c2)nc1C 169691585 OMQFESWPLVTGOE-HTXNQAPBSA-N 414.281 4.389 10 1 HICF Cc1cc(O)c([C@H]2c3scnc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)c(Cl)c1 963156341 ZYIXQBYGBCXRBY-WFASDCNBSA-N 424.906 4.146 10 1 HICF CCCCc1c(-c2ccc(O)c(O)c2)oc2cc(OC)c(OC)c(OC)c2c1=O 13822655 WZUDPLFSAAODQZ-UHFFFAOYSA-N 400.427 4.240 10 1 HICF COc1cc2c3c(c1)O[C@@](c1ccc(Cl)cc1)(c1ccc(O)c(O)c1)[C@@H](C2)C3=O 587420862 JNJWFMXZKZAJJR-SBUREZEXSA-N 408.837 4.451 10 1 HICF Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)n1[C@H](COc1cc(F)cc(F)c1)N=O 587946168 TXZCIQXQZIYBJJ-HXUWFJFHSA-N 420.437 4.489 10 1 HICF COc1ccccc1[C@@H]1CC(c2c(O)ccc3ccccc23)=NN1C1=NC(=O)CS1 1772616932 PKTHGRPDZHPPQE-SFHVURJKSA-N 417.490 4.335 10 1 HICF CC(C)Oc1ccc(N2CC[C@H](Oc3ccc([C@H](C)NC(=O)N(C)C)cc3)C2)cc1 1772642268 DZDRNHPPRHVLKJ-MBSDFSHPSA-N 411.546 4.464 10 1 HICF Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(Cl)cc1F 73274735 XMUZSAZTCCIBEE-UHFFFAOYSA-N 400.837 4.361 10 1 HICF O=C1c2ccccc2[C@@]2(c3c(F)cccc3C[C@H]3CCCN32)c2c(O)ccc(O)c21 963097860 IBUSRZJDAYDSQT-SGANQWHYSA-N 401.437 4.094 10 1 HICF COc1ccc2[nH]cc(CCCCN3CCN(c4ccc5c(c4)OCCO5)CC3)c2c1 13582406 VLOAJINDPKHKIO-UHFFFAOYSA-N 421.541 4.093 10 1 HICF COc1cc(O)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 587805739 HOMOWOQUAMWIKS-DGIBIBHMSA-N 410.283 4.109 10 1 HICF CCOc1ccc(N2CC[C@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)c(F)c1F 1772631568 FNFUZFQCBDDGTP-KSSFIOAISA-N 404.457 4.218 10 1 HICF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OC[C@@H]4CCCO4)cc3)C2)cc1 1772654690 JHNGECQOJKYJNS-MUEKUWCCSA-N 424.541 4.099 10 1 HICF COc1c(C(=O)CCc2ccccc2)c(O)c(O)c2c1/C(=C/c1ccccc1)C(=O)O2 13379013 GATVTABCUKCXHD-VKAVYKQESA-N 416.429 4.382 10 1 HICF CCc1ccc(O)c2c1[C@H](C)C[C@@]21N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962713226 UBGCNDIYJACASS-KGHSUGRISA-N 423.406 4.462 10 1 HICF Oc1cc2c(cc1O)[C@@H](c1ccccc1)N(C(=S)NCCc1ccc(F)cc1)CC2 1857586228 HHSMZMLVXAXPLZ-HSZRJFAPSA-N 422.525 4.302 10 1 HICF Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(N2CCCC2)cc1 72125191 PORHLKHZRKPBEX-UHFFFAOYSA-N 417.509 4.169 10 1 HICF Oc1cc2c(c(Cl)c1O)CN(C(=S)NCCc1ccc(Cl)cc1)CCC2 29123702 RRQZAXFDISLVRP-UHFFFAOYSA-N 411.354 4.270 10 1 HICF CN1C(=O)C[C@H]2CN[C@](C)(c3cc(Cl)cc(Br)c3O)c3cccc1c32 963022232 IGKKHWGRIWAAFV-OVWNDWIMSA-N 421.722 4.125 10 1 HICF CCCC(=O)Nc1ccc(O)c([C@]2(C)NCCc3cnc4c(OC)cccc4c32)c1 963046559 KRDHGESFEZMREU-DEOSSOPVSA-N 405.498 4.097 10 1 HICF C[n+]1c(C=Cc2c[nH]c3ccccc23)cc(NCCN2CCOCC2)c2ccccc21 1857617080 WZZBCLCWOBMVMT-UHFFFAOYSA-O 413.545 4.060 10 1 HICF CCc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccncc2)cc1 38838031 FSPDQZIBXCZBTA-UHFFFAOYSA-N 400.887 4.329 10 1 HICF CC(C)COc1cc2[nH]c(-c3ccc(N(C)CCO)cc3)nc2cc1Br 587193001 OONKGSNDSCVZCH-UHFFFAOYSA-N 418.335 4.456 10 1 HICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C2C(=O)c3ccccc3C2=O)N1 587819194 HMBRHZNDGDTLGY-CFMSYZGJSA-N 402.263 4.033 10 1 HICF Cc1nn(-c2ccccc2)c(O)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587754153 CXURHPMPGFDZGP-WYRIXSBYSA-N 416.294 4.412 10 1 HICF O=[N+]([O-])c1ccc2c(ccn2Cc2cc(CN3CCCC3)c(O)c3ncccc23)c1 1857754245 HCFBWWIWYJYDCX-UHFFFAOYSA-N 402.454 4.447 10 1 HICF Cc1ccc(-n2nnc(C3=NN[C@@H](c4ccc(N5CCCCC5)cc4)C3)c2C)cc1 84586760 RZUPSKULYMOIPC-JOCHJYFZSA-N 400.530 4.313 10 1 HICF Oc1cc2c(cc1O)[C@H](c1ccccc1)N(C(=S)NCCc1ccc(F)cc1)CC2 1857586229 HHSMZMLVXAXPLZ-QHCPKHFHSA-N 422.525 4.302 10 1 HICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N(C)C)cc2[N+](=O)[O-])N1 587746420 JVTYJCLBSOGHQP-MGNBDDOMSA-N 408.271 4.186 10 1 HICF O=C1c2ccccc2C(=O)c2c(O)c([C@H](O)C/C=C/c3cccc(F)c3)cc(O)c21 653849063 FRYXIWSSUYBMPD-MJICGBHWSA-N 404.393 4.149 10 1 HICF Nc1ccc(C[C@@H](N)c2csc(Nc3cc(Oc4ccccc4)ncn3)n2)cc1 61905807 KPXDGXCAMZTODO-QGZVFWFLSA-N 404.499 4.294 10 3 HICF O=C(CSc1nc2ccccc2s1)C1=S=C2Sc3ccccc3N2C1=O 377567273 INBZJBYYDIOHLH-UHFFFAOYSA-N 414.558 4.103 10 1 HICF C[C@@]1([C@@H]2C(=O)c3cccc([N+](=O)[O-])c3C2=O)NCCc2cc(-c3ccccc3)ccc21 962665342 KEHSCMGIXKVPNB-RCZVLFRGSA-N 412.445 4.318 10 1 HICF Cc1ccc(O)c([C@@]2(CC(=O)c3ccccc3)NCCc3c2c(C(C)C)nn3C)c1 962922154 QLRUJOJXBLCPAE-RUZDIDTESA-N 403.526 4.220 10 1 HICF CC(C)=CC(=O)Oc1ccc2c(c1OC(=O)C=C(C)C)C(=O)c1ccccc1C2=O 40835798 IDPHMASGJIRJPH-UHFFFAOYSA-N 404.418 4.205 10 1 HICF COc1cc(O)c([C@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)cc1OC 962646440 UOQHJVFEYRWSFN-RXFWQSSRSA-N 416.521 4.246 10 1 HICF CCOC(=O)c1ccc(O)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587800431 WZBQEPBTFBJNJE-YPMLDQLKSA-N 408.267 4.094 10 1 HICF CCOC(=O)c1cc(C)n(-c2c(Br)cccc2-c2cnn(C)c2)c1C 587936325 SAUDVUIGQQVXPY-UHFFFAOYSA-N 402.292 4.434 10 1 HICF CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)C4CC(F)C4)cc3)C2)cc1 142349285 XHPBJEFOLIXIIF-IVMQYODDSA-N 412.505 4.278 10 1 HICF CC[C@]1(c2cc([N+](=O)[O-])ccc2O)N[C@H](C)Cc2ccc(F)c(Br)c21 587745206 GUPCSSNGFFPGRD-MLCYQJTMSA-N 409.255 4.390 10 1 HICF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCOCC3)cc2F)N1 587724264 GMWZTDOZKHDZFF-FKIZINRSSA-N 423.301 4.188 10 1 HICF CCCOc1c(OC)c(OC)cc2c1C(=O)c1c-2nc2ccccc2c1C(=O)OC 95592607 ZVIRFPQFGXZDMD-UHFFFAOYSA-N 407.422 4.039 10 1 HICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C2C(=O)c3ccccc3C2=O)N1 587819535 IQMSFLFYRKVKNI-CFMSYZGJSA-N 402.263 4.033 10 1 HICF O=C(O)c1cccc(OCc2ccc(Cl)cc2)c1N1Cc2c(O)cccc2C1=O 1772632659 XUSILGKFDCTULW-UHFFFAOYSA-N 409.825 4.483 10 1 HICF OCCCc1ccc(CCc2c(C=Cc3ccc(O)c(O)c3)ccc(O)c2O)cc1 2356359047 CADSTDLOHSYHBO-UHFFFAOYSA-N 406.478 4.390 10 1 HICF CN(C)CCCOc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1 84652340 RVLONQCLKZONHP-HKWRFOASSA-N 412.580 4.419 10 1 HICF CC(=O)Oc1ccc(O)c([C@]2(C)c3cccc(F)c3CCN2[C@@H]2CCSC2)c1 962703563 NDZHKBWOFCCGSZ-QRQCRPRQSA-N 401.503 4.084 10 1 HICF C[C@]1(c2ccc(Cl)cc2Cl)OC[C@@H](COc2ccc(N3CCNCC3)cc2)O1 1857621499 QJAWEBBCFQEPEV-NQIIRXRSSA-N 423.340 4.070 10 1 HICF COC(=O)c1cccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@@H]43)[nH]c12 587275382 CYJRXDVFRBDBAI-LAPQFRIASA-N 404.426 4.393 10 1 HICF CC[N+]1=C(C=C2SC=CN2Cc2ccccc2)S/C(=C2/SCCN2C)C1=O 1857536348 LEEBRZDCPQONFW-CZIZESTLSA-N 416.617 4.100 10 1 HICF CCC[C@@H]1c2cc[nH]c2C=C[C@@H]1C(=O)CC(=O)CCc1cc(CNC)c(O)c(OC)c1 2356293019 ZKLMPSWRJFPSPJ-CTNGQTDRSA-N 424.541 4.136 10 1 HICF CCOc1ccccc1[C@@H]1NC(c2ccc3c(c2)OCO3)=C[C@@H](c2ccccc2O)N1 102956514 YMSTUYZOLDSVPQ-NBGIEHNGSA-N 416.477 4.493 10 1 HICF C[C@H](NC(=O)C(C)(C)O)c1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1 149936554 WITLTCUPBUXGKU-KRWDZBQOSA-N 408.542 4.027 10 1 HICF C[C@]1(c2ccc(N3CCCC3)cc2)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962695653 JHNXXVHBLSSKAD-PZJWPPBQSA-N 422.422 4.307 10 1 HICF CCN1C(=CC=C2C=Nc3ccccc32)N(C(C)C)[C@@H]2C(=O)c3ccccc3C(=O)[C@H]21 1857537223 LBWZLBHZYHZCNQ-ZEQRLZLVSA-N 411.505 4.490 10 1 HICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C=O)c3c(c2)CCCN3C)N1 587763900 AOLLFHPWQHTKRB-MPBGBICISA-N 417.322 4.407 10 1 HICF O=C(c1cc(-c2ccccc2)on1)N1N=C(c2cccnc2)C[C@@H]1c1ccccc1O 71281453 PVQAUJNCHGGQBH-OAQYLSRUSA-N 410.433 4.434 10 1 HICF CCC(CC)CN1C(=O)S/C(=C\c2ccc(O)c(O)c2Br)C1=O 84671878 LDEMXWSFXLCEIW-GHXNOFRVSA-N 400.294 4.333 10 1 HICF CSc1ccc(NC(=O)Nc2ccc3c(c2)/C(=C\c2nccn2C)C(=O)N3)cc1 653775513 HHVUJHPMRXIBKN-SFQUDFHCSA-N 405.483 4.279 10 1 HICF CCSC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S 66252440 PMTHWVOGJJQAIP-XYHYMSPGSA-N 422.380 4.401 10 1 HICF CCOc1ccc(N2CC(Oc3ccc([C@H](C)CC(=O)[C@H]4CCOC4)cc3)C2)cc1 96173018 YVSBILMCJWGDMD-QUCCMNQESA-N 409.526 4.452 10 1 HICF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc(OC[C@@H]4CCCO4)cc3)C2)cc1 1772654693 JHNGECQOJKYJNS-WDNCENIBSA-N 424.541 4.099 10 1 HICF CCCn1c(O)c(N=NC(=O)CNC(=O)/C=C/c2ccc(OC)cc2)c2ccccc21 254010312 BNSDLRYHFBYHHC-HEDAGUFHSA-N 420.469 4.205 10 1 HICF COc1ccc(OCC(=O)/N=N/c2c(O)[nH]c3ccc(F)cc23)c(Br)c1 103960719 MCBJHDSXGBYQOO-QURGRASLSA-N 422.210 4.473 10 1 HICF O=C(CNC(=O)C(c1ccccc1)c1ccccc1)N=Nc1c(O)[nH]c2ccccc12 617960155 PSCAACXSOVXARJ-UHFFFAOYSA-N 412.449 4.432 10 1 HICF Cc1cc(Cl)cc([C@@H]2c3scnc3C[C@H](C(=O)O)N2C(=O)OC(C)(C)C)c1O 963148171 PDGKEZHJVXFMHJ-ZIAGYGMSSA-N 424.906 4.146 10 1 HICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(O)ccc([N+](=O)[O-])c2Cl)N1 587693295 JEVZVNGLIZNJNZ-VGDKGRGNSA-N 415.646 4.479 10 1 HICF COc1ccc(O)c([C@@]2(C)NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)c1 962963698 XYWAJGUNQISSSO-FQEVSTJZSA-N 407.432 4.335 10 1 HICF CC(C)(C)CC(=O)N[C@@H]1[C@H](c2cccs2)N(Cc2ccccc2O)CC[C@@]1(C)O 2356428060 WKROZAUXIOEREM-QZNHQXDQSA-N 416.587 4.073 10 1 HICF COc1cc(CCC(=O)C[C@H](CC[C@@H]2C=CC=C[C@H]2C)OC(C)=O)cc(O)c1O 2356692085 IXNQZCNWAXJTNI-BPAFIMBUSA-N 402.487 4.088 10 1 HICF CC(C)c1cc([C@@]2(C)c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N32)c(O)cc1O 962636782 JRZDGZPYTLIRQH-RPBOFIJWSA-N 420.509 4.132 10 1 HICF COc1cc(CCC(=O)C[C@H](CC[C@H]2C=CC=C[C@@H]2C)OC(C)=O)cc(O)c1O 2356692086 IXNQZCNWAXJTNI-CVAIRZPRSA-N 402.487 4.088 10 1 HICF C[C@]12CC[C@@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2C(=O)Nc1ccc(N)cc1 36189354 LFESSVFWIJQGLT-GUCZTKFNSA-N 407.558 4.121 10 1 HICF CC[C@]1(c2cccc(C(=O)OC)c2O)N[C@H](C)Cc2cc(Br)c(F)cc21 587806051 IUEDYGADPDTPGI-BIBXISHDSA-N 422.294 4.268 10 1 HICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)Oc3cc(O)cc(O)c32)N1 587834757 SOQJSVLWZGNGNC-SBKAZYGRSA-N 422.294 4.338 10 1 HICF COc1ccccc1[C@H]1CC(c2c(O)ccc3ccccc23)=NN1C1=NC(=O)CS1 1772616931 PKTHGRPDZHPPQE-GOSISDBHSA-N 417.490 4.335 10 1 HICF CCCc1c(O)ccc2c1O[C@@](c1ccc(O)cc1)(c1ccc(O)c(O)c1O)CC2=O 587489052 MNCHCUMKTWEBSP-DEOSSOPVSA-N 422.433 4.076 10 1 HICF O=C(Nc1ccc(CC[S@](=O)/C=C/c2ccc(O)c(O)c2)cc1)c1ccccc1 1857763936 ZRYDBTGFLAUBNF-UCCVUAKISA-N 407.491 4.312 10 1 HICF Cc1cc([N+](=O)[O-])c(O)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587743965 FUEMMOADCWEANW-YPMLDQLKSA-N 409.255 4.308 10 1 HICF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)Oc3cc(O)cc(O)c32)N1 587834758 SOQJSVLWZGNGNC-WVDJIFEKSA-N 422.294 4.338 10 1 HICF CC(C)(C)c1ccc(O)c([C@@H]2N[C@@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)c1 962647715 YGTGDNSOPFTNAY-KDOFPFPSSA-N 409.404 4.277 10 1 HICF CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)c2nc3ccccc3c(=O)o2)cc1 5549572 MWSGCWVVOJTXNO-JWGURIENSA-N 411.461 4.182 10 1 HICF Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@@H](C)CNCc3ccc(N(C)C)cc3)C[C@@H]1O2 95557431 SEFMMMXTFSRZEW-NVVBAYIOSA-N 408.542 4.385 10 1 HICF O=C1c2ccccc2[C@@]2(c3c(F)cccc3C[C@@H]3CCCN32)c2c(O)ccc(O)c21 963097857 IBUSRZJDAYDSQT-ODCWNRFASA-N 401.437 4.094 10 1 HICF O=C1c2ccccc2C(=O)c2c1ccc1[nH]c(-c3ccc(F)c(Br)n3)nc21 587155343 KOQDXOSMMQTDEH-UHFFFAOYSA-N 422.213 4.302 10 1 HICF COc1cccc(CN2CCC(Oc3ccc(C(=O)N4CCCCC4)cc3)CC2)c1O 15080261 FJSUYKHQIDNFRB-UHFFFAOYSA-N 424.541 4.070 10 3 HICF COc1ccccc1[C@H]1NC(c2ccc3c(c2)OCO3)=C[C@H](c2ccccc2O)N1 2934386 JBSBGVKKPACTTE-DVECYGJZSA-N 402.450 4.103 10 1 HICF C[C@@H](COC(=O)c1cc(NCc2cc(O)ccc2O)ccc1O)Cc1ccccc1 13735438 XDSOEMVFZXXLNT-MRXNPFEDSA-N 407.466 4.451 10 1 HICF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)C(=O)OCc1ccc(N)cc1 1772589911 OJAVJNPRROPBGL-YWBWYGPRSA-N 421.537 4.305 10 1 HICF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc(OC[C@H]4CCCO4)cc3)C2)cc1 1772654692 JHNGECQOJKYJNS-RIEVBORMSA-N 424.541 4.099 10 1 HICF CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)c([N+](=O)[O-])c1 26653790 KQZDWVBXXIFGMC-UHFFFAOYSA-N 408.439 4.411 10 1 HICF COc1cc(Cn2c3c(c4cc(O)ccc42)C(=O)c2ccccc2C3=O)cc(OC)c1 1663330 MMBISHYCNXJJKU-UHFFFAOYSA-N 413.429 4.188 10 1 HICF CC(=O)Nc1ccc(-c2cc(CN3CCOCC3)c(C)n2-c2ccc(F)cc2)cc1 1857765915 FLPSSIZFKTVPIR-UHFFFAOYSA-N 407.489 4.382 10 1 HICF O=c1c2cc(O)c(O)cc2c2cc(O)c(O)cc2n1Cc1ccc(Cl)c(Cl)c1 13737753 NKZGADOVDRUILO-UHFFFAOYSA-N 418.232 4.332 10 1 HICF COc1cc(C)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1OC 587807134 LNICYFHDYDJSPH-BMLIUANNSA-N 410.283 4.243 10 1 HICF Nc1ccc(OC[C@H]2CO[C@](Cn3ccnc3)(c3ccc(Cl)cc3Cl)O2)cc1 28568602 JJAHMLRQDQLJJE-PXNSSMCTSA-N 420.296 4.120 10 1 HICF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@H](c2cccc(Cl)c2O)N1 962919552 BIZYKYQBGZXNIC-PMACEKPBSA-N 411.841 4.232 10 1 HICF COC(=O)COc1ccc([C@H]2Nc3c(Cl)ccc(C(=O)O)c3[C@H]3C=CC[C@H]32)cc1 1069390 VZXVOBLGRSMRPJ-BXTJHSDWSA-N 413.857 4.417 10 1 HICF Cc1ncc(-c2cc(=O)n(C)cc2C)c(OC[C@H]2C[C@@H]2c2ccc3ccccc3n2)n1 209440957 MHCKKOXXKKOVIW-QUCCMNQESA-N 412.493 4.190 10 1 HICF CCc1ccc2c(c1)C(=O)c1c-2n(CCCN=[N+]=[N-])c(=O)c2cc([N+](=O)[O-])ccc12 28711228 HSMPGXICDZODOM-UHFFFAOYSA-N 403.398 4.384 10 1 HICF O=C(/N=N/c1c(O)[nH]c2ccc(Br)cc12)[C@H]1COc2ccccc2O1 103960887 PGXWDZSOZHITCQ-YYZBOFOMSA-N 402.204 4.086 10 1 HICF CC(C)CN(Cc1ccc(N2CC[C@H](C#N)C2)cc1)S(=O)(=O)Cc1ccccc1 147267170 WIOHCXGMSQPEQZ-JOCHJYFZSA-N 411.571 4.024 10 1 HICF COc1ccc2c(c1)CC[C@](N)(c1nc3ccc(Oc4ccc(N)cc4)cc3[nH]1)C2 587245917 AXXNCDDWOKVEMZ-XMMPIXPASA-N 400.482 4.289 10 1 HICF CNc1ccc(NC)c2c1C(=O)c1ccccc1[C@]21CC(=O)c2cc(C)cc(N)c2O1 587388061 VFWKXQYDTMRZGX-RUZDIDTESA-N 413.477 4.114 10 1 HICF CCCc1c(O)ccc2c1O[C@@H](c1c(C)n(CC(=O)OC)c3ccccc13)CC2=O 587471162 OERHBFMYKQJEJP-OAQYLSRUSA-N 407.466 4.487 10 1 HICF C[C@H](NC(=O)N(C)C)c1ccc(O[C@H]2CCN(c3ccc(OC4CC4)cc3)C2)cc1 1772622925 IVVFHDYPZRHLFC-SBUREZEXSA-N 409.530 4.218 10 1 HICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCOCC3)cc2)N1 587774858 PNVQUSLEDVANCE-SPLOXXLWSA-N 419.338 4.223 10 1 HICF COc1ccc(Nc2nn3c(O)cc(C)nc3c2C(=O)Nc2ccc(Cl)cc2)cc1 1772640640 PYCJKFAHXUJWSJ-UHFFFAOYSA-N 423.860 4.401 10 1 HICF Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)n1-c1cccc(C2=NC(C)(C)CO2)c1 587936560 WAYPLODTENHGEP-UHFFFAOYSA-N 408.523 4.412 10 1 HICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc4c(cc3[nH]1)OCCO4)[C@H]1CC=C[C@@H]21 587276416 LESFDTCCXDVXJG-YPENRWOSSA-N 404.426 4.377 10 1 HICF CCCCN1C(=O)C2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2C(=O)O)cc1 13809130 NUGZKSKUYOJVKT-UHFFFAOYSA-N 420.509 4.498 10 1 HICF COc1ccc(N2CC[C@@]3(C2)N[C@H](C)Cc2cc(Br)c(F)cc23)cc1 587769284 ODJAQDKPUJNEKP-XCLFUZPHSA-N 405.311 4.237 10 1 HICF CCN(CC)C(=S)/N=N\c1c(O)n(CN2C[C@H](C)O[C@@H](C)C2)c2ccccc12 169360795 ZTDLCQVCIHRUIT-SNSRSOTKSA-N 403.552 4.124 10 1 HICF CN1CCc2c(Br)cccc2[C@H]1c1cc(O)c(O)c(Br)c1 963269208 GCTVLKCIODTDMP-OAHLLOKOSA-N 413.109 4.200 10 1 HICF Cc1ncc(-c2cc(C)n(C)c(=O)c2)c(OC[C@H]2C[C@@H]2c2ccc3ccccc3n2)n1 209430203 JLTHEAVMQKDYCP-UXHICEINSA-N 412.493 4.190 10 1 HICF Cc1cc(O)c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)C=C[C@@](C)(CCCC(C)(C)O)O3 14660207 ZAOGRZZIKRABFR-RUZDIDTESA-N 422.477 4.287 10 1 HICF biogenic COc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccc(N)cc3nc2c1 26942270 APWIGVVVVLENRG-UHFFFAOYSA-N 408.483 4.094 10 1 HICF CCCOc1ccc(N2CC[C@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)c(OC)c1 1772649657 MYUYXQWRPYQFKQ-JTSKRJEESA-N 412.530 4.339 10 1 HICF Cc1cc(C)c2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)N2 13152911 NLQGZVKXLTWART-YZUZCNPQSA-N 424.566 4.151 10 1 HICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)Oc3cc(O)cc(O)c32)N1 587835337 VRNJZZLNWAPQOH-SBKAZYGRSA-N 422.294 4.338 10 1 HICF COc1cc(C2=NN(S(=O)(=O)c3ccc(C)cc3)[C@H](c3ccccc3)C2)ccc1O 653737527 AGNSUSGEAURXIR-NRFANRHFSA-N 422.506 4.249 10 1 HICF Cc1cc(O)c([C@@]2(c3ccccc3)N[C@H](C(=O)O)Cc3cc(F)ccc32)cc1Cl 962891725 CFXYAWLXJNCWDO-REWPJTCUSA-N 411.860 4.384 10 1 HICF CN(C)Cc1cc([C@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN23)ccc1O 962644392 QWWWWTLVVVDHJV-SQHAQQRYSA-N 413.565 4.290 10 1 HICF O=C(NCc1ccc(N2C[C@H]3CCCC[C@H]3C2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1857647668 SSRGVPZMVCXNEJ-CALCHBBNSA-N 424.457 4.059 10 1 HICF CC(=O)Oc1ccc([C@H]2Nc3ccc(C(=O)O)cc3[C@H]3C=CC[C@@H]32)c(OC(C)=O)c1 5726377 GSJSDLGYROZESW-HOIFWPIMSA-N 407.422 4.062 10 1 HICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(F)cc(C(=O)O)c3[nH]1)[C@H]1CC=C[C@H]21 587275331 CBTGLSDLNHKSTD-JMERFSKESA-N 408.389 4.443 10 1 HICF CN1C(=O)C[C@H]2CN[C@@](c3ccccc3)(c3ccc(Cl)cc3O)c3cccc1c32 963018439 FPDXTRBBHYUFKF-OWJWWREXSA-N 404.897 4.391 10 1 HICF CCCN1[C@H](C)Cc2ccccc2[C@@]12c1ccccc1C(=O)c1c(O)cc(O)c(O)c12 963228251 LEUXXOGJNRGTJB-WZQKQDCOSA-N 415.489 4.296 10 1 HICF C[C@@H](Cc1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1)NC(=O)[C@@H](C)F 149636733 ATOSVDCKFBIOHZ-ZWKOTPCHSA-N 410.533 4.484 10 1 HICF O=C1NC(=S)S/C1=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Br)o1 299836369 ZGJFXDRVSYXOLA-SDQBBNPISA-N 411.258 4.106 10 1 HICF O=C(/C=C/c1ccc(N2CCOCC2)cc1)Nc1nc(-c2ccc(F)cc2)cs1 653785026 VVJPJXUYEHMSRR-XCVCLJGOSA-N 409.486 4.438 10 1 HICF COc1cc2c(c(CSc3ccccc3)c1C(=O)O)C(=O)c1c(O)cccc1C2=O 28825678 UFGJHXTXPWQSKH-UHFFFAOYSA-N 420.442 4.167 10 1 HICF CC(=O)OC1CCN([C@@H](c2ccc3c(c2)OCO3)c2c(O)ccc3ccccc23)CC1 72180995 WGJIUUUDWJNMMJ-VWLOTQADSA-N 419.477 4.391 10 1 HICF COc1cc(C(=O)Nc2ccc(-c3cccc(C(C)=O)c3)cc2[N+](=O)[O-])cc(O)c1O 73200353 XNVGCTKHDVGRRB-UHFFFAOYSA-N 422.393 4.137 10 1 HICF COc1ccc(OC)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O 587804927 DKUZVINSWKRINR-OVWNDWIMSA-N 410.283 4.109 10 1 HICF COc1ccc2c(c1OC)[C@](CC(=O)c1ccco1)(c1ccccc1O)N(C)[C@@H](C)C2 962623168 JXWHVZHFWCFJNI-LMKMVOKYSA-N 421.493 4.395 10 1 HICF CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1[N+](=O)[O-] 26653313 WEZRAMQEVJLJRP-UHFFFAOYSA-N 408.439 4.411 10 1 HICF C[C@H](NC(=O)N(C)C)c1ccc(O[C@@H]2CCN(c3ccc(OCC4CC4)cc3)C2)cc1 209126767 GPOQJWAPBBVCDT-MHECFPHRSA-N 423.557 4.465 10 1 HICF Cc1c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)[nH]c2cc(O)nc(O)c12 586989872 RVDMMKOQCYKAGK-UHFFFAOYSA-N 409.401 4.415 10 1 HICF Nc1ccc(Oc2ccc3nc(CCNC(=O)OCc4ccccc4)[nH]c3c2)cc1 587228181 KGIVNHDWUUSCME-UHFFFAOYSA-N 402.454 4.406 10 1 HICF CC(=O)Oc1ccc(O)c([C@@]2(C)c3cccc(F)c3CCN2[C@H]2CCSC2)c1 962703556 NDZHKBWOFCCGSZ-OYHNWAKOSA-N 401.503 4.084 10 1 HICF O=C1c2ccccc2C(=O)c2c(O)c([C@H](O)c3ccc(Cl)cc3Cl)cc(O)c21 1857595097 PWEUEAOVQWBFCM-GOSISDBHSA-N 415.228 4.262 10 1 HICF COc1ccccc1/C=C/C[C@H](O)c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O 653849082 MQFRGZFGTSXLTN-IWHGQQBYSA-N 416.429 4.019 10 1 HICF O=c1c2cn[nH]c2c2ccc(-c3cccnc3N3CCCC3)cc2n1CC(F)(F)F 205063575 BSVHOQXLMHDKHC-UHFFFAOYSA-N 413.403 4.102 10 1 HICF CCC[C@@]1(c2cc(O)c(O)cc2O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587821096 GQGWJDOKMFQPMQ-APBUJDDRSA-N 410.283 4.283 10 1 HICF COc1cc(O)c2c3c1-c1c(ccc(O)c1O)[C@@H]1Oc4ccccc4[C@H](CC2=O)[C@@H]31 14617078 ADDWUEDYAWOVOO-JGWMJADOSA-N 402.402 4.380 10 1 HICF biogenic Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(S(C)(=O)=O)cc3[nH]1)[C@@H]1CC=C[C@H]21 587277125 PLKMCEJOKUHFMS-MDOVXXIYSA-N 424.482 4.010 10 1 HICF CC[C@@]1(c2cccc(C(=O)OC)c2O)N[C@H](C)Cc2ccc(F)c(Br)c21 587804957 FZDAFYWOSHIMSR-GIPWTMENSA-N 422.294 4.268 10 1 HICF CC(=O)OC/C=C1\CC[C@H]2[C@@H]3CC[C@H]4CC(=O)[C@H](N=[N+]=[N-])C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C 73160624 UZKJHWBRRDAAJM-UMIYKGRZSA-N 415.534 4.347 10 1 HICF Cc1cc([N+](=O)[O-])c(O)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587746811 OEJOMLWGNOTLOF-YPMLDQLKSA-N 409.255 4.308 10 1 HICF COc1cc(O)c([C@@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN23)cc1OC 962646438 UOQHJVFEYRWSFN-IBVKSMDESA-N 416.521 4.246 10 1 HICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(C(=O)N(C)C)cc3[nH]1)[C@H]1CC=C[C@H]21 587275296 BNESJIJKTLOEFY-QYWGDWMGSA-N 417.469 4.308 10 1 HICF CN1OC[C@@H]2CN(C(=O)C3CCCCC3)[C@H](c3ccc(N4CCCCC4)cc3)C[C@@H]21 199734714 IMPKVQIFXBBNEW-XWGVYQGASA-N 411.590 4.392 10 3 HICF CCc1cccc(C)c1/N=N/C(=C1/NCCN1Cc1ccc(Cl)nc1)[N+](=O)[O-] 103206357 QRONPBUGCATMOM-NVGBRHKGSA-N 400.870 4.198 10 1 HICF COc1cc(Br)ccc1OCC(=O)/N=N/c1c(O)[nH]c2ccccc12 103973549 DPPGNJMLMAXDNB-QZQOTICOSA-N 404.220 4.334 10 1 HICF COc1cc2c3c(c1)O[C@](C)(c1ccc(O)c(CN4CCCCCC4)c1)[C@@H](C2)C3=O 587443228 LOQLYGIGSKOVCC-NBGIEHNGSA-N 407.510 4.440 10 1 HICF CC(=O)Nc1ccc(O)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587746166 YNOMPQNFTXUZHC-OVWNDWIMSA-N 407.283 4.050 10 1 HICF Cc1cc(=O)oc2c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(O)ccc12 587838243 NAIRMYDMXGZYAL-APBUJDDRSA-N 418.262 4.332 10 1 HICF COc1cc(O)c2c3c1-c1c(ccc(O)c1O)[C@H]1Oc4ccccc4[C@@H](CC2=O)[C@H]31 95913992 ADDWUEDYAWOVOO-UCKKVMSCSA-N 402.402 4.380 10 1 HICF biogenic,in-vitro COc1cc(O)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587807862 ODVIYKKQHDJXHZ-GIGQVBGESA-N 410.283 4.109 10 1 HICF CC(C)[C@@H]1N=C(c2ccc3c(c2)OCO3)C[C@@H](c2cc(Br)ccc2O)N1 4729616 QUFLHSWXVUVUDV-OXJNMPFZSA-N 417.303 4.389 10 1 HICF COc1cccc2c1ccc1nc3cccc(C(=O)NCCN4CCCCC4)c3nc12 27857369 NTKVTWICPIKBGV-UHFFFAOYSA-N 414.509 4.161 10 1 HICF COc1ccc2c(c1)c([C@@H]1N[C@@H](C(=O)C(F)(F)F)Cc3ccccc31)c(C)n2C 962712864 OKBJSFRMTKFXEZ-YLJYHZDGSA-N 402.416 4.230 10 1 HICF CC(C)(C)CC(=O)N[C@@H]1[C@H](c2cccs2)N(Cc2ccccc2O)CC[C@]1(C)O 2356428061 WKROZAUXIOEREM-XJUOHMSHSA-N 416.587 4.073 10 1 HICF CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1ccc(-c2ccc(C(=O)O)cc2)o1 27840954 RSPYAOKQXDAIIR-UNOMPAQXSA-N 416.389 4.149 10 1 HICF COCCC(=O)N[C@@H](C)c1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1 149976314 INZPPLDCUVIPPB-SFHVURJKSA-N 408.542 4.293 10 1 HICF O=C(/C=C\c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)Nc1ccc(F)cc1 587167343 QPVCMGXZCZUEAN-QXMHVHEDSA-N 411.392 4.129 10 1 HICF CCN1C(=O)/C(=C/N2N=C(c3ccccc3)C[C@@H]2c2ccccc2O)SC1=S 653857043 SUZCZDHMZUPBOC-MCRQTXEHSA-N 409.536 4.265 10 1 HICF COc1ccc([C@@H]2C[C@]3(NCCc4ccc(O)cc43)c3c(O)cc(OC)cc3O2)cc1 963343756 WGPKAUBUJHZYBV-UKILVPOCSA-N 419.477 4.028 10 1 HICF COc1ccc(N2CC[C@@]3(C2)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)cc1 587582542 MEZWZXOPYRSTSC-QPPBQGQZSA-N 403.434 4.012 10 1 HICF Cc1cc(N2CCOCC2)ccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587772424 HOSBJQVRGQTNNR-QKKBWIMNSA-N 419.338 4.357 10 1 HICF CNC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc(OCC4CC4)cc3)C2)cc1 1772575875 BICWZMQLUQKPNJ-SBUREZEXSA-N 409.530 4.123 10 1 HICF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3csc([C@@H]4CCCO4)n3)[nH]c21 587016974 QITBZWXRAGSFHS-INIZCTEOSA-N 401.447 4.313 10 1 HICF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2ccc(O)c(O)c21 587477294 FKDDOVPMOMSTKG-RUZDIDTESA-N 416.429 4.209 10 1 HICF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N(C)C)cc2[N+](=O)[O-])N1 587747411 NQKAZXYJLPADIE-YPMLDQLKSA-N 408.271 4.186 10 1 HICF CN1C(=O)C[C@@H]2CN[C@@]3(C=C(c4ccccc4)Oc4cccc(O)c43)c3cccc1c32 963024813 LZRUKMUMITWNJY-QUGAMOGWSA-N 410.473 4.123 10 1 HICF COc1ccc(Cl)c2c1CCN[C@@]2(C)c1cc2c(C)c(C)c(=O)oc2c(C)c1O 963271531 VGCFYUHZKPTHNM-QHCPKHFHSA-N 413.901 4.495 10 1 HICF CS(=O)(=O)Nc1ccc(O)c(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)c1 586947818 GPOORGBCQCJXLC-UHFFFAOYSA-N 411.508 4.458 10 1 HICF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(N3CCC(C(=O)O)CC3)cc2)N1 962955679 XWRLWTQQWQDNEP-JPYJTQIMSA-N 403.526 4.483 10 1 HICF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)Oc3cc(O)cc(O)c32)N1 587834756 SOQJSVLWZGNGNC-FVINQWEUSA-N 422.294 4.338 10 1 HICF C[C@H](F)C(=O)N[C@H](C)Cc1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1 149637346 ATOSVDCKFBIOHZ-MSOLQXFVSA-N 410.533 4.484 10 1 HICF COc1cc2c3c(c1)O[C@](c1ccccc1)([C@@H](O)c1ccc(N(C)C)cc1)[C@@H](C2)C3=O 587428174 ICRIMHVDCYEDNQ-MZBJOSPHSA-N 415.489 4.138 10 1 HICF CC(C)[C@H]1N=C(c2ccc3c(c2)OCO3)C[C@@H](c2cc(Br)ccc2O)N1 4729615 QUFLHSWXVUVUDV-JXFKEZNVSA-N 417.303 4.389 10 1 HICF COC(=O)c1ccc(Oc2ccc3[nH]c(-c4ccc(N(C)CCO)cc4)nc3c2)cc1 587193039 QFSUQBXJGDIANO-UHFFFAOYSA-N 417.465 4.237 10 1 HICF O=C1CCS(=O)(=O)N1c1ccc(Nc2c3ccccc3nc3ccccc23)cc1 26849796 RVDKFVQBUJMHCJ-UHFFFAOYSA-N 403.463 4.198 10 1 HICF Cn1c(S)nnc1-c1ccc(/N=N/Nc2ccc(-c3n[nH]c(=S)n3C)cc2)cc1 6040685 YYOTXUCIIYJFRW-UHFFFAOYSA-N 423.531 4.340 10 1 HICF CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccc([N+](=O)[O-])cc23)cc1 26662369 BKUVFMJAYBTFES-UHFFFAOYSA-N 408.439 4.411 10 1 HICF CCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(N(C)C)c3ccccc23)SC1=S 1772613953 MBFKCIZIDOYGHO-ZCWPUFOUSA-N 414.552 4.360 10 1 HICF Cc1cc(N2CCOCC2)ccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587770163 CPDZOTQJJPDHBZ-SPLOXXLWSA-N 419.338 4.357 10 1 HICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(C(=O)N(C)C)cc3[nH]1)[C@@H]1CC=C[C@H]21 587275295 BNESJIJKTLOEFY-MRUHUIDDSA-N 417.469 4.308 10 1 HICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/N(C)C)(c2ccc(F)cc2O)N1 587725845 GTTRDROINUHRSM-FVFSBHJXSA-N 423.301 4.286 10 1 HICF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cnoc2)(c2ccccc2O)N1 587790951 DEDXODUGTLOWOR-WLRWDXFRSA-N 403.251 4.108 10 1 HICF CC(=O)Oc1ccc(O)c([C@@]2(C)c3cccc(F)c3CCN2[C@@H]2CCSC2)c1 962703554 NDZHKBWOFCCGSZ-IVZQSRNASA-N 401.503 4.084 10 1 HICF CN1CCN(Cc2cc(CNC3(c4ccccc4F)CCCCC3)ccc2O)CC1 473107294 ILEHYKMZOSJLRH-UHFFFAOYSA-N 411.565 4.228 10 1 HICF COc1cc(O)c2c(=O)cc(-c3cc(O)c(O)c(Cc4ccccc4C)c3)oc2c1 653825925 PMXGMNSUAGEVHU-UHFFFAOYSA-N 404.418 4.485 10 1 HICF C[C@H](COC(=O)c1cc(NCc2cc(O)ccc2O)ccc1O)Cc1ccccc1 13735441 XDSOEMVFZXXLNT-INIZCTEOSA-N 407.466 4.451 10 1 HICF Cc1cc([N+](=O)[O-])c(O)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587746809 OEJOMLWGNOTLOF-MLCYQJTMSA-N 409.255 4.308 10 1 HICF Oc1cc2c(cc1O)[C@H](c1ccccc1)N(C(=S)NCCc1ccccc1)CC2 1857534264 HELPKSXAHYMNSN-QHCPKHFHSA-N 404.535 4.163 10 1 HICF O=C(CCCc1ccc(Cl)cn1)N1CCc2c(Cl)c(O)c(O)c(Cl)c2C1 58583464 HHINUBUDSKWCJP-UHFFFAOYSA-N 415.704 4.361 10 1 HICF Cn1cc(/C=C2\C(=O)NN=C2c2cccnc2)c2c(OCc3ccccc3)cccc21 73162354 BLNRWTBAAIMQGW-MOSHPQCFSA-N 408.461 4.070 10 1 HICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(C(=O)O)c(F)cc3[nH]1)[C@H]1CC=C[C@H]21 587277553 YCENWPWMNIPDGF-ZKTNFTSUSA-N 408.389 4.443 10 1 HICF CC[C@]1(c2cc(O)ccc2O)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963190086 WLUZAGDVZWXBEJ-FZKQIMNGSA-N 415.795 4.023 10 1 HICF CCN(CC)CCCn1c2c(c3ccccc31)CCn1c-2nc2ccc(O)cc2c1=O 1772633970 QRUNFRRYIKAJTJ-UHFFFAOYSA-N 416.525 4.012 10 1 HICF C[C@H]1CCc2c(sc3ncn(CC(=O)N=Nc4c(O)[nH]c5ccccc45)c(=O)c23)C1 253994891 FDXCBMAWQBWMPV-NSHDSACASA-N 421.482 4.080 10 1 HICF COc1ccc(O)c([C@]2(C)NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)c1 962963702 XYWAJGUNQISSSO-HXUWFJFHSA-N 407.432 4.335 10 1 HICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N(C)C)c3nsnc23)N1 587853524 ACFIKLHHEAVLHA-JDNHERCYSA-N 421.339 4.283 10 1 HICF COc1ccc(NCc2cc(O)ccc2O)c2c1C(=O)N(CCc1ccc(F)cc1)C2 13491735 ROQGHRBAFMZQKS-UHFFFAOYSA-N 422.456 4.056 10 1 HICF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(O)ccc3ccc(=O)oc23)N1 587838059 MHVZVRFGCXFJCT-WVDJIFEKSA-N 418.262 4.198 10 1 HICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCC(O)CC3)cc2)N1 587765502 CUWFUBJVGRRFJE-ASSNKEHSSA-N 419.338 4.173 10 1 HICF O=C1S/C(=C/c2cc(O)c(O)c(O)c2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 13980834 LOGYYEXKVXHOIW-MKMNVTDBSA-N 412.250 4.347 10 1 HICF in-vivo Cc1nn(-c2ccccc2)c(O)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587758131 PSNYALNTNNJGBM-WYRIXSBYSA-N 416.294 4.412 10 1 HICF CC(=O)c1ccc2c(c1)[C@@](C)(C(C)(C)N=[N+]=[N-])N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962628797 QJXZLGUPIZYAEE-KKSFZXQISA-N 416.478 4.440 10 1 HICF COc1ccc(Cl)c2c1CCN[C@@]21c2ccccc2C(=O)C(=O)[C@H]1CC=C(C)C 963270439 PAZDQRMYVOJOJR-HOYKHHGWSA-N 409.913 4.476 10 1 HICF O[C@H](CNCc1ccccc1)COc1ccc2c(c1)CCCN2Cc1ccccc1 40864622 GWLGSGLGGNBJLM-XMMPIXPASA-N 402.538 4.169 10 1 HICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCOCC3)cc2)N1 587770129 CFNZMURGPFCCKT-XCLFUZPHSA-N 405.311 4.048 10 1 HICF O=C(NCc1ccccc1O)c1cc(C(=O)c2ccc(C(F)(F)F)cc2F)c[nH]1 53295804 JVMVXBCPJMWGJD-UHFFFAOYSA-N 406.335 4.039 10 1 HICF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1c2ccc(O)c1O 587533325 PKKPDVFTVMOZGY-AREMUKBSSA-N 412.441 4.430 10 1 HICF O=C1c2ccccc2C(=O)c2c1nnn2-c1cc(F)c(-c2ccccc2F)c(F)c1 1911583085 VMUZFSZBQDZDTG-UHFFFAOYSA-N 405.335 4.127 10 1 HICF CCOC(=O)Cc1cc(-c2ccc(F)cc2)n(-c2ccc(S(C)(=O)=O)cc2)c1C 28862696 WHUVIKJPIOFQSW-UHFFFAOYSA-N 415.486 4.101 10 1 HICF CCN1C(=CC=C2C=Nc3ccccc32)N(C(C)C)[C@H]2C(=O)c3ccccc3C(=O)[C@@H]21 1857537221 LBWZLBHZYHZCNQ-DNQXCXABSA-N 411.505 4.490 10 1 HICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(O)ccc3ccc(=O)oc23)N1 587837539 ILCISYVINVBXQE-SBKAZYGRSA-N 418.262 4.198 10 1 HICF Cc1cccc(-n2c(C)cc([C@@H]3N[C@H](C(=O)O)Cc4ccc(O)c(C)c43)c2C)c1C 963511082 SYADVDBPLHPEEY-RDPSFJRHSA-N 404.510 4.413 10 1 HICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCOCC3)cc2F)N1 587724266 GMWZTDOZKHDZFF-ODXCJYRJSA-N 423.301 4.188 10 1 HICF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OC[C@H]4CCCO4)cc3)C2)cc1 1772654691 JHNGECQOJKYJNS-PISWEHOVSA-N 424.541 4.099 10 1 HICF COc1ccc(N2CC[C@]3(C2)N[C@H](C)Cc2ccc(F)c(Br)c23)cc1 587766324 GKQFMMIUGIRZFD-ZUOKHONESA-N 405.311 4.237 10 1 HICF CCOC(=O)c1c(-c2ccccc2)oc2ccc(O)c(CN3CCC(CO)CC3)c12 1772606770 JCJVWFHKZIWZOM-UHFFFAOYSA-N 409.482 4.186 10 1 HICF C/C(=C\COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O)CC[C@@H]1OC1(C)C 5707075 HWGSNINRXUADDX-LOULHMMLSA-N 422.477 4.464 10 1 HICF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N(C)C)c3nsnc23)N1 587860101 ZVRAYESWKBQBHO-XXFAHNHDSA-N 421.339 4.283 10 1 HICF CC(=O)N1N=C(c2ccc(-n3c(C)ccc3C)cc2)O[C@@H]1c1cccc([N+](=O)[O-])c1 103193014 RVUIJVSYOSKZDA-JOCHJYFZSA-N 404.426 4.241 10 1 HICF Cc1cc(C)cc(OC[C@@]2(c3ccc(O)cc3O)NCCc3c2c(C(C)C)nn3C)c1 962922061 VJJHDUGRGKJVAU-VWLOTQADSA-N 421.541 4.040 10 1 HICF COc1cc(O)c(C(=O)NCc2ccc(O)cc2O)cc1C12CC3CC(CC(C3)C1)C2 84615334 SQCLSKGGXIWWPU-UHFFFAOYSA-N 423.509 4.210 10 1 HICF COc1ccc(OC)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1O 587804925 DKUZVINSWKRINR-DGIBIBHMSA-N 410.283 4.109 10 1 HICF O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)c(CN3CCc4ccccc4C3)c(O)c21 1772644186 AOUURUMSOURDMW-QFIPXVFZSA-N 417.461 4.068 10 1 HICF [N-]=[N+]=NCCOCCOCCOCC[C@@H]1NCCc2cccc(-c3ccccc3)c21 962672294 WJDPRCQFSKVXBD-QFIPXVFZSA-N 410.518 4.291 10 1 HICF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@H](c2c(O)ccc3ncccc23)N1 963166950 CXAYIZBUARYWSN-UGSOOPFHSA-N 422.790 4.301 10 1 HICF Oc1ccc([C@H]2CC(c3ccc(O)cc3O)=NN2C(=S)Nc2ccccc2)cc1 40407480 LTMZJAGNMRMHDK-HXUWFJFHSA-N 405.479 4.352 10 1 HICF O=C1c2cc(-c3nc(CCc4ccccc4)no3)sc2C(=O)c2c(O)cccc21 299833243 NOFSDAASVZRVEY-UHFFFAOYSA-N 402.431 4.064 10 1 HICF CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 1857553239 XPVLJVZOWGRZCU-PDGQHHTCSA-N 417.377 4.359 10 1 HICF COC(=O)c1cccc(-n2c(C)cc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c2C)c1 587388994 IPNJDENKVYMFDC-QFIPXVFZSA-N 404.466 4.478 10 1 HICF CO[C@H](C)COC1CCC(c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)CC1 587952047 LMOWBRUYNIPLRJ-QQFBHYJXSA-N 418.493 4.416 10 1 HICF O=S(=O)(Nc1nc2ccccc2s1)c1cc(Br)cc(Cl)c1O 1911570676 JWKJZSDYBFIOAA-UHFFFAOYSA-N 419.709 4.219 10 1 HICF Cc1cccc(C)c1C(=O)Nc1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1 26743774 OIZZUGWXANEKHO-UHFFFAOYSA-N 407.558 4.453 10 1 HICF Cc1cc2oc(=O)cc(CN=[N+]=[N-])c2cc1S(=O)(=O)Nc1ccccc1Cl 49052236 ZKQDWKHLLVNIOF-UHFFFAOYSA-N 404.835 4.366 10 1 HICF Oc1[nH]c2ccccc2c1N=Nc1nc(Nc2ccccc2)nc(N2CCOCC2)n1 299812509 CWVFEUWFGRDDFV-UHFFFAOYSA-N 416.445 4.054 10 1 HICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C=O)c3c(c2)CCCN3C)N1 587768678 VQAWKDDDTHDZPD-ODXCJYRJSA-N 417.322 4.407 10 1 HICF CN1C(=O)C[C@@H]2CN[C@@](C)(c3cc(Cl)cc(Br)c3O)c3cccc1c32 963022228 IGKKHWGRIWAAFV-GIGQVBGESA-N 421.722 4.125 10 1 HICF COc1cc2nc3c(cc2c(CN2CCOCC2)c1O)CSc1cc(F)ccc1-3 43059777 FXTOQFQVRVAHJD-UHFFFAOYSA-N 412.486 4.193 10 1 HICF [N-]=[N+]=NC[C@H](Cc1ccccc1)N1CC[C@@H](NC(=O)OCc2ccccc2)CCC1=O 15937128 ROIQEAAPFNBKMJ-SFTDATJTSA-N 421.501 4.216 10 3 HICF CCc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c([N+](=O)[O-])c1 587747849 SMHBBPNFHKQFBI-HUTHGQBESA-N 409.255 4.388 10 1 HICF CC(=CCOc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O)CC=CC(C)(C)O 2356438402 FAUQLQYXYZFMJO-UHFFFAOYSA-N 422.477 4.224 10 1 HICF CCN1C(=CC=C2C=Nc3ccccc32)N(C(C)C)[C@H]2C(=O)c3ccccc3C(=O)[C@H]21 1857537220 LBWZLBHZYHZCNQ-BJKOFHAPSA-N 411.505 4.490 10 1 HICF COc1ccc(Cl)c2c1CCN[C@@]21c2ccccc2C(=O)C(=O)[C@@H]1CC=C(C)C 963270441 PAZDQRMYVOJOJR-MHECFPHRSA-N 409.913 4.476 10 1 HICF CCN1C(=O)/C(=C/c2ccc(-c3cc(C(F)(F)F)nn3C)s2)SC1=S 13487535 KEBYCDOAKSSMIY-WDZFZDKYSA-N 403.476 4.389 10 1 HICF CCCCCOc1c(OC)c(OC)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c12 26381823 MGKKMQCZTCIYQK-UHFFFAOYSA-N 400.427 4.457 10 1 HICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cnoc2)(c2ccccc2O)N1 587790952 DEDXODUGTLOWOR-WYRIXSBYSA-N 403.251 4.108 10 1 HICF Oc1c(O)c(Cl)c2c(c1Cl)CCN(C(=S)NCc1ccc(Cl)cc1)C2 29131845 HJXZSICYCQHWLW-UHFFFAOYSA-N 417.745 4.491 10 1 HICF Cc1ccc(-c2nnc(SCC(=O)c3ccc(O)c(O)c3)n2-c2ccco2)cc1 43013580 GMVRHXSZVVFAHD-UHFFFAOYSA-N 407.451 4.222 10 1 HICF CCOC(=O)CCc1ccc(-c2ccc(OC)cc2)n1-c1ccc(C(=O)NC)cc1C 84603144 YMVMHDHOHZDGRV-UHFFFAOYSA-N 420.509 4.317 10 1 HICF COc1ccc(-c2csc(NC(=O)/C=C/c3ccc(N4CCOCC4)cc3)n2)cc1 653796392 IKEFMGDNQZUECU-NYYWCZLTSA-N 421.522 4.307 10 1 HICF Cc1ccc(C)n1-c1cc(-c2nnc(-c3ccc(C(=O)O)cc3)o2)ccc1C(=O)O 1857592824 QXXGGAIFDZXARX-UHFFFAOYSA-N 403.394 4.208 10 1 HICF CCCOc1ncccc1-c1ccc2c3[nH]ncc3c(=O)n(CC(F)(F)F)c2c1 220115965 VKKNHVUULSQNFH-UHFFFAOYSA-N 402.376 4.291 10 1 HICF Cc1cc2c(c3oc(CCC(F)(F)F)cc(=O)c13)C(=O)c1c(O)cccc1C2=O 473082454 HSGPSUXRHFHWEF-UHFFFAOYSA-N 402.324 4.077 10 1 HICF Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)n1-c1cccc(Br)c1N 587937801 YTGBEIQVIUQQNY-UHFFFAOYSA-N 405.317 4.201 10 1 HICF O=C1c2ccccc2C(=O)c2c(O)c([C@H](O)C/C=C/c3ccccc3F)cc(O)c21 653856848 NKNIADCHNPITLW-SUQGKYDKSA-N 404.393 4.149 10 1 HICF CN(C)c1ccc(-c2nc(C(F)(F)F)cn2-c2ccc(S(C)(=O)=O)cc2)cc1 3814583 OASVGLRSLZXZIV-UHFFFAOYSA-N 409.433 4.028 10 1 HICF COc1ccc(Cl)c2c1CCN[C@]21c2ccccc2C(=O)C(=O)[C@@H]1CC=C(C)C 963270442 PAZDQRMYVOJOJR-UUOWRZLLSA-N 409.913 4.476 10 1 HICF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N(C)C)c([N+](=O)[O-])c2)N1 587745535 HRGHHEJFJWPRED-XTZNXHDOSA-N 408.271 4.186 10 1 HICF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@@H](c2cccc(Cl)c2O)N1 962919557 BIZYKYQBGZXNIC-VQTJNVASSA-N 411.841 4.232 10 1 HICF COc1cc([C@H](NC(N)=O)c2c(O)ccc3oc4ccccc4c23)cc(OC)c1OC 72142704 YHOVQUYXRMOUJA-NRFANRHFSA-N 422.437 4.075 10 1 HICF CCc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c([N+](=O)[O-])c1 587747854 SMHBBPNFHKQFBI-XLFHBGCDSA-N 409.255 4.388 10 1 HICF COc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1OC 587809958 VVLGSMLXEOVTLR-DGIBIBHMSA-N 410.283 4.109 10 1 HICF COCc1cc(Br)c(O)c(O)c1Cc1ccc(O)c(Br)c1 40392209 ISHCNPQMLMCSEJ-UHFFFAOYSA-N 418.081 4.066 10 1 HICF biogenic COC(=O)c1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1N(C)C 587757464 UZQJUTXQHBIMIG-JEOXALJRSA-N 421.310 4.064 10 1 HICF CC(=CCOc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O)CCCC(C)(C)O 2356663028 QYEGKHHDTUXMJH-UHFFFAOYSA-N 424.493 4.448 10 1 HICF C[C@@]1(Cc2ccc(O)c(O)c2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962962714 UMVLBECOTPILCV-FQEVSTJZSA-N 407.432 4.226 10 1 HICF COc1cccc(-n2c(Sc3ncc([N+](=O)[O-])s3)nnc2-c2ccccc2)c1 40895886 LPVSSQXBGDIKNO-UHFFFAOYSA-N 411.468 4.459 10 1 HICF c1nc(NCC2CC2)c2nc(-c3ccc(N4CCCC4)cc3)n(C[C@H]3CCCO3)c2n1 82221770 BNDFPBAQWWDBKO-HXUWFJFHSA-N 418.545 4.094 10 1 HICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(F)cc([N+](=O)[O-])c2O)N1 587726931 MOPUVXUHDQOTJZ-RBHXEPJQSA-N 413.218 4.139 10 1 HICF CN1CCc2c(Br)cccc2[C@@H]1c1cc(O)c(O)c(Br)c1 963269206 GCTVLKCIODTDMP-HNNXBMFYSA-N 413.109 4.200 10 1 HICF O=C1NC(=S)S/C1=C\c1cc(Br)c(Cl)cc1Br 1772588905 QMEXPPFZLBRMRS-WAPJZHGLSA-N 413.543 4.354 10 1 HICF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)cc([N+](=O)[O-])c2O)N1 587701898 YCXGAYZYZHYWKJ-ZIDLFYJRSA-N 415.646 4.479 10 1 HICF CCN1C(=O)/C(=C/N2N=C(c3ccccc3)C[C@H]2c2ccccc2O)SC1=S 653857044 SUZCZDHMZUPBOC-NFBGKYEXSA-N 409.536 4.265 10 1 HICF CN1C[C@@H](CNC(=O)OCc2ccccc2)C[C@@H]2c3cccc4c3c(cn4C)C[C@@H]21 9224015 WZHJKEUHNJHDLS-AAIMPIBUSA-N 403.526 4.065 10 1 HICF Cc1ccc2oc(-c3ccc(OCCOCCOCCN=[N+]=[N-])cc3)cc(=O)c2c1 222418796 RYWLBKNUERKYFV-UHFFFAOYSA-N 409.442 4.491 10 1 HICF CC[C@H]1Cc2c([nH]c3ccccc23)C2(N1)c1c(O)cccc1C(=O)c1cccc(O)c12 962949103 PFLNGLKZYSWETJ-AWEZNQCLSA-N 410.473 4.340 10 1 HICF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@H](c2c(O)ccc3ncccc23)N1 963166944 CXAYIZBUARYWSN-FZKQIMNGSA-N 422.790 4.301 10 1 HICF O=C(NCc1ccc(N2C[C@@H]3CCCC[C@H]3C2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1857647670 SSRGVPZMVCXNEJ-IRXDYDNUSA-N 424.457 4.059 10 1 HICF COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc(N)cc2nc2c(C)cccc12 26941242 ZVTPFZZDTCOQQT-UHFFFAOYSA-N 422.510 4.402 10 1 HICF Cc1ccc([C@]2(c3ccccc3Cl)N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)c(O)c1 963468694 IPDXJCILVJSEFJ-RDPSFJRHSA-N 423.896 4.259 10 1 HICF Nc1ccc(Oc2ccc3nc(CNC(=O)c4cc5c(s4)CCC5)[nH]c3c2)cc1 587034248 FXNMTFORRDDZPE-UHFFFAOYSA-N 404.495 4.418 10 1 HICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(O)ccc3ccc(=O)oc23)N1 587838049 MHVZVRFGCXFJCT-CFMSYZGJSA-N 418.262 4.198 10 1 HICF COc1ccc(N2CCN(CCCC[C@@]34CCCc5cccc(c53)NC4=O)CC2)cc1 13473679 WOHIAPZKTUZQDB-AREMUKBSSA-N 419.569 4.214 10 1 HICF COc1cc(O)c2c3c1-c1c(ccc(O)c1O)[C@@H]1Oc4ccccc4[C@H](CC2=O)[C@H]31 14617080 ADDWUEDYAWOVOO-SOZPDYFUSA-N 402.402 4.380 10 1 HICF biogenic CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1/N=N/c1c(O)[nH]c2ccccc12 101647755 ZXANFFNPFNDQRN-QZQOTICOSA-N 417.447 4.228 10 1 HICF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@H]3CC[C@@H]4N(C)C(=O)/C(=C/O)C[C@@]4(C)[C@@H]3CC[C@]12C 169309149 TXCCBMQDPKCDKY-LCADDEETSA-N 416.606 4.386 10 1 HICF COc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1OC 587809960 VVLGSMLXEOVTLR-GIGQVBGESA-N 410.283 4.109 10 1 HICF COc1ccc([C@H](O)[C@H](C)c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1 587937141 NJUCXJPLTBXUBI-WHEQGISXSA-N 412.445 4.184 10 1 HICF COc1cc2ncnc(Sc3nccs3)c2cc1OCCN1CCCCC1 84758678 KTNLDVPQSPVFFO-UHFFFAOYSA-N 402.545 4.111 10 1 HICF CCN(CC)C(=S)/N=N/c1c(O)n(CN2C[C@H](C)O[C@H](C)C2)c2ccccc12 84796182 ZTDLCQVCIHRUIT-QWAUMEEFSA-N 403.552 4.124 10 1 HICF Cc1cc(C)c2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)N2 13152912 NLQGZVKXLTWART-AWRGLXIESA-N 424.566 4.151 10 1 HICF CC[C@H](C)c1cc(C)c2c(c1O)[C@H](NC(=O)CN1CCN(c3ccccc3)CC1)CC2 84462458 KIGCTNWRJMWONE-FDDCHVKYSA-N 421.585 4.140 10 1 HICF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c21 587092647 YEQRKVBYIGFPGM-UHFFFAOYSA-N 423.350 4.341 10 1 HICF CCCCCNc1ncnc2c1nc(-c1ccc(N3CCCC3)cc1)n2CCOC 82186369 MTXAUQBNLXYJIY-UHFFFAOYSA-N 408.550 4.342 10 1 HICF O=C(Nc1ccccc1Cl)c1nc2c3c(ccc2[nH]1)C(=O)c1ccccc1C3=O 587060166 CVTIOUUYWBBEBA-UHFFFAOYSA-N 401.809 4.244 10 1 HICF O=C(C[C@H]1SC(N=Nc2c(O)[nH]c3ccccc23)=NC1=O)Nc1ccc(F)cc1 617989201 OARVBHLDFZJANM-CQSZACIVSA-N 411.418 4.123 10 1 HICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCOCC3)c(F)c2)N1 587726556 XPNDAKORZOYBIQ-ODXCJYRJSA-N 423.301 4.188 10 1 HICF COc1ccc2c(c1)[C@H](c1cc([N+](=O)[O-])cc(Br)c1O)N(C(C)C)CC2 962086689 CRHHIASFQUEOHG-GOSISDBHSA-N 421.291 4.427 10 1 HICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(S(C)(=O)=O)cc3[nH]1)[C@H]1CC=C[C@@H]21 587277126 PLKMCEJOKUHFMS-SIFCLUCFSA-N 424.482 4.010 10 1 HICF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)Oc3cc(O)cc(O)c32)N1 587835338 VRNJZZLNWAPQOH-WVDJIFEKSA-N 422.294 4.338 10 1 HICF C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](C(=O)Nc3ccc(N)cc3)CC[C@H]12 261131621 LFESSVFWIJQGLT-SMIYNLNTSA-N 407.558 4.121 10 1 HICF CN(C)c1ccc([C@@]2(C(F)(F)F)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1 962704890 DRLJUKKBJDXNBF-FUHWJXTLSA-N 416.365 4.204 10 1 HICF COc1cccc2c1/c(=C/c1ccc(N(C)C)cc1)c1cc(-c3ccccc3)[n+](C)n12 5596838 ZMWUWKLQECNGTQ-UHFFFAOYSA-N 408.525 4.206 10 1 HICF O=C(Cc1ccc(Cl)c(Cl)c1)N1CCc2cccc(O)c2[C@H]1CN1CCCC1 26817520 JKHTXFZUBXVUAC-LJQANCHMSA-N 419.352 4.463 10 1 HICF CCN(CC)S(=O)(=O)c1cc(OC)ccc1/N=N\c1ccc(O)c2ncccc12 95544942 FEFDGXWAFNRHTN-FCQUAONHSA-N 414.487 4.395 10 1 HICF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCC(O)CC3)cc2)N1 587765504 CUWFUBJVGRRFJE-YEJXKQKISA-N 419.338 4.173 10 1 HICF Cc1ccc(O)c([C@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587821634 JAAZHANWOSGULS-YUNKPMOVSA-N 422.294 4.245 10 1 HICF COc1ccc2[nH]cc(CCCCN3CCN(c4ccc5c(c4)OCO5)CC3)c2c1 13582404 ZLYNSXAUXWPSCC-UHFFFAOYSA-N 407.514 4.050 10 1 HICF COc1ccc(N2CC[C@@]3(C2)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)cc1 587582543 MEZWZXOPYRSTSC-URXFXBBRSA-N 403.434 4.012 10 1 HICF COc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1OC 587804541 BRSJHQCCZLEPCG-GIGQVBGESA-N 410.283 4.109 10 1 HICF Cc1cc(N2CCOCC2)ccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587598701 YFUAEAUWQJFSFE-DHLKQENFSA-N 417.461 4.240 10 1 HICF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(F)cc([N+](=O)[O-])c2O)N1 587726019 HITIQBMXSMEEJP-WNWIJWBNSA-N 413.218 4.139 10 1 HICF CC[C@@]1(CCCCN2CCN(c3ccc(OC)cc3)CC2)C(=O)Nc2ccccc21 29055169 QPPUPOCWKDEBEW-VWLOTQADSA-N 407.558 4.288 10 1 HICF COc1ccc([C@H]2CC(c3ccc(OCC=C(C)C)cc3O)=NN2C(N)=S)cc1 64526815 PNYNDZZAMQHAJQ-HXUWFJFHSA-N 411.527 4.141 10 1 HICF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C=O)c3c(c2)CCCN3C)N1 587763897 AOLLFHPWQHTKRB-FKIZINRSSA-N 417.322 4.407 10 1 HICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cnc(C(F)(F)F)[nH]c-3n1)[C@H]1CC=C[C@@H]21 587271339 ASLPHGHMZVDLQM-ZETOZRRWSA-N 416.363 4.366 10 1 HICF COc1ccc([C@H]2CC(c3c(O)ccc4ccccc34)=NN2C2=NC(=O)CS2)cc1 1772617420 RIMMTRSGBJOUMK-LJQANCHMSA-N 417.490 4.335 10 1 HICF COc1ccc(N2CCN(C(=O)c3cc4c(C)nc5ccccc5c4o3)CC2)cc1 4902065 XXVSPNNGIMTRGR-UHFFFAOYSA-N 401.466 4.260 10 3 HICF CCN(CC)c1ccc(C(NC(=O)c2ccccc2)NC(=O)c2ccccc2)cc1 95571688 GATBUFYBPKIZIQ-UHFFFAOYSA-N 401.510 4.391 10 1 HICF COc1cc2c3c(c1)O[C@](c1ccccc1)([C@H](O)c1ccc(N(C)C)cc1)[C@@H](C2)C3=O 587428164 ICRIMHVDCYEDNQ-BYXVTNLJSA-N 415.489 4.138 10 1 HICF COc1cc(O)c2c(=O)cc(-c3cc(O)c(O)cc3Cc3ccc(C)cc3)oc2c1 653827725 VYQMWDBDHJVSKZ-UHFFFAOYSA-N 404.418 4.485 10 1 HICF C[C@]1([C@H]2C(=O)c3cccc([N+](=O)[O-])c3C2=O)NCCc2cc(-c3ccccc3)ccc21 962665338 KEHSCMGIXKVPNB-DHLKQENFSA-N 412.445 4.318 10 1 HICF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N(C)C)cc2[N+](=O)[O-])N1 587746426 JVTYJCLBSOGHQP-XTZNXHDOSA-N 408.271 4.186 10 1 HICF Oc1c(I)cccc1[C@H]1c2c(F)cccc2C[C@@H]2CCCN21 963099665 JTMQJBKSEAPSFV-SJCJKPOMSA-N 409.242 4.246 10 1 HICF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCOCC3)c(F)c2)N1 587726554 XPNDAKORZOYBIQ-FKIZINRSSA-N 423.301 4.188 10 1 HICF CCCc1c(O)ccc2c1O[C@H](c1c(C)n(CC(=O)OC)c3ccccc13)CC2=O 587471161 OERHBFMYKQJEJP-NRFANRHFSA-N 407.466 4.487 10 1 HICF O=[N+]([O-])c1ccc2nc(NCCc3cc[n+](Cc4ccc(F)cc4)cc3)sc2c1 1772595713 PRXIEXWZIFEMSH-UHFFFAOYSA-N 409.466 4.334 10 1 HICF O=C(O)c1ccc(C[C@H]2SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 40379306 BJMYWSXCMNXLSL-CQSZACIVSA-N 411.426 4.380 10 1 HICF CN1C[C@H](CNC(=O)c2ccc(Cl)cc2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21 103297475 KWORXLXUIRNLGB-ZAOYMGCJSA-N 407.945 4.222 10 1 HICF CCC[C@]1(c2cc(O)c(O)cc2O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587824355 ZYMDPHUOWYJZMH-APBUJDDRSA-N 410.283 4.283 10 1 HICF Cc1nn(-c2ccccc2)c(O)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587583962 XNZRCMQJDDTLIY-NFBKMPQASA-N 414.417 4.295 10 1 HICF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N(C)C)c([N+](=O)[O-])c2)N1 587745539 HRGHHEJFJWPRED-YPMLDQLKSA-N 408.271 4.186 10 1 HICF CCNCc1ccc(C/N=N/c2ncnc3c2cnn3-c2cccc(OC)c2)cc1 169685270 PMORDRJSLRRWLQ-BYCLXTJYSA-N 401.474 4.218 10 1 HICF COc1ccc(CNC(=O)c2cc(C34CC5CC(CC(C5)C3)C4)c(O)cc2O)c(O)c1 103234392 FIIBMSLTYQNPDE-UHFFFAOYSA-N 423.509 4.210 10 1 HICF COc1ccc2c(c1)CC[C@@](N)(c1nc3ccc(Oc4ccc(N)cc4)cc3[nH]1)C2 587245916 AXXNCDDWOKVEMZ-DEOSSOPVSA-N 400.482 4.289 10 1 HICF CC(=O)Oc1ccc(O)c([C@]2(C)c3cccc(F)c3CCN2[C@H]2CCSC2)c1 962703555 NDZHKBWOFCCGSZ-NYHFZMIOSA-N 401.503 4.084 10 1 HICF Cc1c([C@H]2NCCc3ccc(C(=O)N(C)C)cc32)c2cc(OC(C)C)ccc2n1C 962926499 PIYZXANSLHTNAS-DEOSSOPVSA-N 405.542 4.211 10 1 HICF COc1ccc(C(=O)CN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)cc1 1857600430 SKJLYFQQOLTGOO-LICLKQGHSA-N 403.912 4.433 10 1 HICF N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12 45189019 XKUHRWHWOFEUNS-DHLKQENFSA-N 412.489 4.027 10 1 HICF O=S(=O)(Nc1ccc(O)c(-c2c(O)ccc3ccccc23)c1)c1ccc(O)cc1O 40402438 CPCNQJMGLPPCEA-UHFFFAOYSA-N 423.446 4.130 10 1 HICF COc1ccc2c(c1)[C@@H](c1cc([N+](=O)[O-])cc(Br)c1O)N(C(C)C)CC2 962086692 CRHHIASFQUEOHG-SFHVURJKSA-N 421.291 4.427 10 1 HICF CCOC(=O)Cc1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2ccc(C)cc2)c1C 13643739 WNBVYZJUSZQNIF-UHFFFAOYSA-N 411.523 4.270 10 1 HICF CC(=O)Nc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587742061 JFEZRHFAQOZBGS-GIGQVBGESA-N 407.283 4.050 10 1 HICF CCOC(=O)c1ccc(O)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587797636 MONCMRAJVBNBAE-YPMLDQLKSA-N 408.267 4.094 10 1 HICF Cc1cc([C@]2(C(F)(F)F)NCCc3ccc(O)cc32)c(C)n1-c1ccc(N)cc1 963344136 ZDIZNDWYBIXXJA-NRFANRHFSA-N 401.432 4.334 10 1 HICF COc1c(C(=O)CCc2ccccc2)c(O)c(O)c2c1C(=Cc1ccccc1)C(=O)O2 2356551444 GATVTABCUKCXHD-UHFFFAOYSA-N 416.429 4.382 10 1 HICF CCc1ccc(/C=C2\SC(N[C@@H](C(=O)O)c3ccc(C(F)(F)F)cc3)=NC2=O)o1 28816631 GBLQPELSELDBRQ-KQGZCTBQSA-N 424.400 4.247 10 1 HICF COC(=O)/C=C/c1ccc(O)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587804235 DCSOIHOJBPLMEM-HKYKMRSQSA-N 420.278 4.104 10 1 HICF CC[C@@H](CN(C)C)NC(=O)c1cccc2nc3ccc4c(OC)cccc4c3nc12 27854197 GRLXOPDTDIBGHB-HNNXBMFYSA-N 402.498 4.015 10 1 HICF CCOC(=O)c1cccc(N2N=C(C)/C(=C/c3ccc(OCC)c(OC)c3)C2=O)c1 95557559 LXZPLEHWRYVXBB-UNOMPAQXSA-N 408.454 4.077 10 1 HICF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cnoc2)(c2ccccc2O)N1 587795321 NVSNMLVDYGSDGQ-WLRWDXFRSA-N 403.251 4.108 10 1 HICF COc1ccc([C@@H]2C[C@@]3(NCCc4ccc(O)cc43)c3c(O)cc(OC)cc3O2)cc1 963343759 WGPKAUBUJHZYBV-ZCYQVOJMSA-N 419.477 4.028 10 1 HICF CO[C@@H](C)COC1CCC(c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)CC1 587952046 LMOWBRUYNIPLRJ-FHERZECASA-N 418.493 4.416 10 1 HICF Cc1ccc2c(c1)[C@]1(NCCc3cc(Cl)ccc31)C(=O)[C@H](c1ccc(O)c(O)c1)O2 963390590 LAPZBEPPPGXFFZ-UPVQGACJSA-N 421.880 4.152 10 1 HICF CCCCC=Cc1c(O)cc2c(c1O)C(=O)c1c(cc(OC)c(Cl)c1O)C2=O 2356716920 BQGOKZYOQBVDFY-UHFFFAOYSA-N 402.830 4.444 10 1 HICF CCN(CC)c1ccc(-c2nc3nccc(C(=O)Nc4cnccc4C)c3[nH]2)cc1 84655535 ONYBQVLTXXOZFO-UHFFFAOYSA-N 400.486 4.427 10 1 HICF C[C@H](NC(=O)c1cn[nH]c1)c1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1 149963031 CBWWWQSRPGUYQG-KRWDZBQOSA-N 416.525 4.293 10 1 HICF O=C1c2ccccc2C(=O)c2c1ccc1nc(C[C@@H]3OCCc4ccsc43)[nH]c21 587034782 HRTUYFQMWVDTJT-KRWDZBQOSA-N 400.459 4.256 10 1 HICF CCOC(=O)c1cc(C)n(-c2cc(C(=O)OC)c(Br)cc2Cl)c1C 587935873 FVDIGEYGVAEHNN-UHFFFAOYSA-N 414.683 4.473 10 1 HICF O=C(NCCc1ccc(Cl)cc1)c1cc(NCc2cc(O)ccc2O)ccc1O 13861842 KQUODGYCTPWEAV-UHFFFAOYSA-N 412.873 4.041 10 1 HICF CN(C)c1ccc([C@@]2(C)N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)cc1 963180411 NBHRNJIKOMFRRZ-IEBWSBKVSA-N 412.839 4.287 10 1 HICF CCN1C(=CC=C2C=Nc3ccccc32)N(C2CC2)[C@H]2C(=O)c3ccccc3C(=O)[C@@H]21 1857537205 CNMBDCPSEKTGND-DNQXCXABSA-N 409.489 4.244 10 1 HICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc([C@H](N)N=O)cc3[nH]1)[C@@H]1CC=C[C@H]21 587275861 HCKPJTNSVZKEHL-FOEVPDMQSA-N 404.430 4.330 10 1 HICF CC(=O)N1N=C(c2ccc(-n3c(C)ccc3C)cc2)O[C@H]1c1ccc(N(C)C)cc1 103191363 KODQUBNTXQORAR-DEOSSOPVSA-N 402.498 4.399 10 1 HICF CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)c4ccns4)cc3)C2)cc1 142186086 HRBMOWXTKOGOMU-INIZCTEOSA-N 423.538 4.300 10 1 HICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc4c(cc3[nH]1)OCCO4)[C@@H]1CC=C[C@@H]21 587276412 LESFDTCCXDVXJG-LKBUQDJMSA-N 404.426 4.377 10 1 HICF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(O)ccc([N+](=O)[O-])c2Cl)N1 587691909 FANHTIMJMPGVSQ-GYKQLYQFSA-N 415.646 4.479 10 1 HICF COc1cc2c(cc1OC)[C@@H](COc1ccc(N)cc1)N(C(=O)c1ccccc1)CC2 96906940 DTEHXJMEFPPEBC-JOCHJYFZSA-N 418.493 4.105 10 1 HICF C[C@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/N(C)C)(c2ccccc2O)N1 587739905 IERIXYSMXSNFLA-ARTRRMPISA-N 405.311 4.147 10 1 HICF Cc1cc(C)nc(SCC(=O)N=Nc2c(O)[nH]c3ccc(Br)cc23)n1 617960055 JPMJWNYWAIZSBF-UHFFFAOYSA-N 420.292 4.445 10 1 HICF NCCCCN(CCCN)CCCCCNc1c2ccccc2nc2ccccc12 27198846 HNUACWXUWPJLNB-UHFFFAOYSA-N 407.606 4.360 10 1 HICF CC(=O)N1N=C(c2ccc(-n3c(C)ccc3C)cc2)O[C@H]1c1cccc([N+](=O)[O-])c1 103193011 RVUIJVSYOSKZDA-QFIPXVFZSA-N 404.426 4.241 10 1 HICF Cc1ccc(-n2[nH]c(C)c(C/N=N/c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2=O)cc1C 169692238 BNQKXYAEJCMPSG-QZQOTICOSA-N 410.390 4.191 10 1 HICF CCOc1ccc(N2CC[C@@]3(C2)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)cc1 587584171 WZQXZHBROKLHLR-RDGATRHJSA-N 417.461 4.402 10 1 HICF CC[C@@H]1Cc2c([nH]c3ccccc23)C2(N1)c1c(O)cccc1C(=O)c1cccc(O)c12 962949106 PFLNGLKZYSWETJ-CQSZACIVSA-N 410.473 4.340 10 1 HICF O=C1Nc2ccccc2/C1=C/c1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1 299818544 AAMUZWQAADGXOZ-NKFKGCMQSA-N 409.489 4.142 10 1 HICF COc1cc(O)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 587808830 QVKGXFHHCJHTBO-APBUJDDRSA-N 410.283 4.109 10 1 HICF O=C(CCSC(=S)NCc1cccnc1)c1cn(CC(F)F)c2ncccc12 1857621704 JQMLDSFHVNUYNK-UHFFFAOYSA-N 420.510 4.077 10 1 HICF COc1c2c(c(C)c3cc(O)c(O)cc13)OC[C@@](C)(CCCC(=O)OC(C)C)C2=O 13459691 LTONYNJTIJFQNN-HSZRJFAPSA-N 416.470 4.271 10 1 HICF biogenic COc1cc(O)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 587805737 HOMOWOQUAMWIKS-APBUJDDRSA-N 410.283 4.109 10 1 HICF COc1ccc([C@@H](O)[C@H](C)c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1 587937142 NJUCXJPLTBXUBI-XMHCIUCPSA-N 412.445 4.184 10 1 HICF Cc1ccc(O)c([C@@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587823347 UJMANZNHXJDQOW-ODXCJYRJSA-N 422.294 4.245 10 1 HICF COc1c(O)c(CN(C)Cc2ccco2)c2oc(-c3ccccc3)cc(=O)c2c1O 29127699 KDMYADANUHLKCJ-UHFFFAOYSA-N 407.422 4.105 10 1 HICF COc1ccc(OC)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1O 587804926 DKUZVINSWKRINR-GIGQVBGESA-N 410.283 4.109 10 1 HICF COc1ccc(N2C(=O)[C@H](Cc3ccc(O)c(Br)c3)SC2=S)cc1 84635864 KOHZQYGTRTUKSS-HNNXBMFYSA-N 424.341 4.139 10 1 HICF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(F)cc([N+](=O)[O-])c2O)N1 587726933 MOPUVXUHDQOTJZ-WNWIJWBNSA-N 413.218 4.139 10 1 HICF Cc1cc([N+](=O)[O-])c(O)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587746810 OEJOMLWGNOTLOF-XTZNXHDOSA-N 409.255 4.308 10 1 HICF CC1(C)CN[C@@H](c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c2c1ccc1c2OCO1 963391302 SISOAFVVUHUSQC-NRFANRHFSA-N 409.486 4.284 10 1 HICF CC(=O)Nc1ccc(O)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587746483 ZXAPMNHDCULZFM-DGIBIBHMSA-N 407.283 4.050 10 1 HICF COc1ccc(OC)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1O 587810428 XFMDINOXOYWKRN-GIGQVBGESA-N 410.283 4.109 10 1 HICF CC(C)=CCc1c(O)c(O)c(O)c2c(=O)c3c(CC=C(C)C)c(O)c(O)cc3oc12 653729221 IIODLJAGPYTGKO-UHFFFAOYSA-N 412.438 4.492 10 1 HICF CC(C)[C@H]1c2cc(O)c(O)cc2CCN1C(=S)NCCc1ccc(Cl)cc1 1857608134 AYZVCHRIDYHVNA-FQEVSTJZSA-N 404.963 4.424 10 1 HICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(S(C)(=O)=O)cc3[nH]1)[C@H]1CC=C[C@H]21 587277124 PLKMCEJOKUHFMS-AVYPCKFXSA-N 424.482 4.010 10 1 HICF CN(C)c1ccc([C@H]2CC(c3nc4ccccc4[nH]3)=NN2C(=O)c2ccncc2)cc1 103211753 ZJSKYYPTGJFNKI-JOCHJYFZSA-N 410.481 4.015 10 1 HICF Cc1cccc(N2CCN(Cc3cc(Br)c4cccnc4c3O)CC2)c1 84635237 FMUIYKYXVFUJKX-UHFFFAOYSA-N 412.331 4.334 10 1 HICF CC(=O)Nc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587739511 ADRHBACJTDDKOK-DGIBIBHMSA-N 407.283 4.050 10 1 HICF CC(=O)Oc1ccc([C@H]2Nc3ccc(C(=O)O)cc3[C@H]3C=CC[C@H]32)c(OC(C)=O)c1 5726375 GSJSDLGYROZESW-JKSBSHDWSA-N 407.422 4.062 10 1 HICF COc1ccc(N2CCN(C[C@@]3(C)CCc4c(C)c(O)c(C)c(C)c4O3)CC2)cc1 13651327 MILMMBMFVGRPFE-RUZDIDTESA-N 410.558 4.232 10 1 HICF CC(C)n1c(O)c(/N=N\C(=O)Cc2csc(N3CCOCC3)n2)c2ccccc21 13682835 WOHUOIWXRVMAMS-FCQUAONHSA-N 413.503 4.074 10 1 HICF C[C@]12C=CC(=O)N[C@H]1CC[C@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3ccc(N)cc3)CC[C@@H]12 26969085 LFESSVFWIJQGLT-IEFWHFDDSA-N 407.558 4.121 10 1 HICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(S(C)(=O)=O)cc3[nH]1)[C@@H]1CC=C[C@@H]21 587277127 PLKMCEJOKUHFMS-SXGZJXTBSA-N 424.482 4.010 10 1 HICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCOCC3)c(F)c2)N1 587726555 XPNDAKORZOYBIQ-MPBGBICISA-N 423.301 4.188 10 1 HICF Oc1c(I)cccc1[C@@H]1c2c(F)cccc2C[C@@H]2CCCN21 963099677 JTMQJBKSEAPSFV-YVEFUNNKSA-N 409.242 4.246 10 1 HICF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c21 587177642 RNVCFESKIVDJKE-UHFFFAOYSA-N 412.424 4.140 10 1 HICF Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(-n2cccc2)cc1 72125203 YHPSHAQZGXBLAN-UHFFFAOYSA-N 413.477 4.360 10 1 HICF CC(C)c1ccc([C@]2(c3ccc(O)c(O)c3O)OC(=O)c3ccccc32)cc1[N+](=O)[O-] 103191045 BKFUUTHFUBTQCD-QHCPKHFHSA-N 421.405 4.297 10 1 HICF CN(C)c1ccc(N=Nc2ccc(-c3nc4ccc(S(N)(=O)=O)cc4[nH]3)cc2)cc1 587196574 WEULBZNSJMIRIK-UHFFFAOYSA-N 420.498 4.359 10 1 HICF COc1ccc2c(c1OC)[C@@](CC(=O)c1ccco1)(c1ccccc1O)N(C)[C@@H](C)C2 962623165 JXWHVZHFWCFJNI-IVCQMTBJSA-N 421.493 4.395 10 1 HICF N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12 45189021 XKUHRWHWOFEUNS-WIOPSUGQSA-N 412.489 4.027 10 1 HICF Cc1nn(-c2ccccc2)c(O)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587754152 CXURHPMPGFDZGP-WLRWDXFRSA-N 416.294 4.412 10 1 HICF CCN1C(=CC=C2C=Nc3ccccc32)N(C2CC2)[C@H]2C(=O)c3ccccc3C(=O)[C@H]21 1857537204 CNMBDCPSEKTGND-BJKOFHAPSA-N 409.489 4.244 10 1 HICF Oc1[nH]c2ccccc2c1/N=N/c1nc(N2CCCCC2)nc(N2CCCCC2)n1 103961987 SNAQSMCICPNMHS-CYYJNZCTSA-N 406.494 4.455 10 1 HICF COC(=O)c1ccc(-n2c(C)cc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c2C)cc1 587390310 POPKXPQJRDMTPL-JOCHJYFZSA-N 404.466 4.478 10 1 HICF COc1cc(C)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1OC 587807139 LNICYFHDYDJSPH-BTDLBPIBSA-N 410.283 4.243 10 1 HICF CN(C)c1ccc([C@@H]2CC(c3nc4ccccc4[nH]3)=NN2C(=O)c2ccncc2)cc1 103211750 ZJSKYYPTGJFNKI-QFIPXVFZSA-N 410.481 4.015 10 1 HICF CCCCNC(=O)Oc1ccc2c(c1)C(=O)N1CCc3c([nH]c4ccccc34)[C@H]1N2C 169341037 GVGRPDDJVVCUSK-QFIPXVFZSA-N 418.497 4.203 10 1 HICF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3c4c(ccc3[nH]2)C(=O)c2ccccc2C4=O)cc1 587785807 OXCLBZNQQLNUDO-RBUKOAKNSA-N 422.440 4.282 10 1 HICF CC(C)(C)CC(=O)N[C@@H]1[C@@H](c2cccs2)N(Cc2ccccc2O)CC[C@]1(C)O 2356428062 WKROZAUXIOEREM-XPNTWCBSSA-N 416.587 4.073 10 1 HICF COc1cc(Br)ccc1OCC(=O)/N=N/c1c(O)[nH]c2ccc(F)cc12 103960700 FIZWIDGXWYNLTE-QURGRASLSA-N 422.210 4.473 10 1 HICF COc1ccccc1-c1csc(NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)n1 653782593 OITMLOMOKTZDFG-DHZHZOJOSA-N 421.522 4.307 10 1 HICF C[C@@]1(c2ccc(N3CCNCC3)c(F)c2)c2ccsc2CCN1Cc1cccnc1 963010292 MROMVTGIXWJMKT-XMMPIXPASA-N 422.573 4.014 10 1 HICF CC(=O)N[C@@H](C)c1ccc(OC2CN(c3ccc(OC4CC4)cc3OC3CC3)C2)cc1 142228945 VASFGFFUINDKMM-INIZCTEOSA-N 422.525 4.234 10 1 HICF COc1cc([C@@H](NC(N)=O)c2c(O)ccc3oc4ccccc4c23)cc(OC)c1OC 72142705 YHOVQUYXRMOUJA-OAQYLSRUSA-N 422.437 4.075 10 1 HICF Cc1ccc(-n2nnc(C3=NN[C@H](c4ccc(N5CCCCC5)cc4)C3)c2C)cc1 84586757 RZUPSKULYMOIPC-QFIPXVFZSA-N 400.530 4.313 10 1 HICF CCCN1[C@@H](C)Cc2ccccc2[C@@]12c1ccccc1C(=O)c1c(O)cc(O)c(O)c12 963228244 LEUXXOGJNRGTJB-HAWMADMCSA-N 415.489 4.296 10 1 HICF CC[C@@]1(c2cccc(C(=O)OC)c2O)N[C@H](C)Cc2cc(Br)c(F)cc21 587806053 IUEDYGADPDTPGI-GIPWTMENSA-N 422.294 4.268 10 1 HICF O=C1c2ccccc2C(=O)c2c1ccc1nc(C[C@H]3OCCc4ccsc43)[nH]c21 587034785 HRTUYFQMWVDTJT-QGZVFWFLSA-N 400.459 4.256 10 1 HICF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@H](O)c1ccc(N(C)C)cc1)O2 587387412 PQAPLSXLEZDSFZ-RPBOFIJWSA-N 402.494 4.238 10 1 HICF COCCCN1CCc2ccc(OC)cc2[C@H]1c1cc(F)c(Br)cc1O 961323005 LIZJTMNBMNLCON-FQEVSTJZSA-N 424.310 4.286 10 1 HICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc4nc(O)[nH]c4cc3[nH]1)[C@@H]1CC=C[C@H]21 587275242 AKVOWTABZGGHLS-CRTZDJKQSA-N 402.414 4.188 10 1 HICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(O)ccc([N+](=O)[O-])c2Cl)N1 587691913 FANHTIMJMPGVSQ-QZTNRIJFSA-N 415.646 4.479 10 1 HICF COc1ccc(C/N=N/c2cc(C)nc(NS(=O)(=O)c3ccc(C)cc3)n2)cc1 169693109 YMCFCDBOPFPJOG-DARPEHSRSA-N 411.487 4.187 10 1 HICF O=C(NCCOc1ccccc1)[C@H]1Nc2ccc(OC(F)(F)F)cc2[C@H]2C=CC[C@@H]12 15952432 WDWQAJLFJQFMEO-QKLQHJQFSA-N 418.415 4.234 10 1 HICF CS(=O)(=O)c1cccc(-c2csc3ncnc(Sc4nccs4)c23)c1 114806970 MLWYOEGSDHDVRK-UHFFFAOYSA-N 405.551 4.370 10 1 HICF Cc1cc([N+](=O)[O-])c(O)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587743963 FUEMMOADCWEANW-MLCYQJTMSA-N 409.255 4.308 10 1 HICF O=C(O)c1cc2cc(O)c(O)cc2c([C@H](O)c2ccc(Oc3ccccc3)cc2)n1 13490155 PDAXRDHWWKGDAJ-JOCHJYFZSA-N 403.390 4.218 10 1 HICF CC(=O)Nc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587742062 JFEZRHFAQOZBGS-OVWNDWIMSA-N 407.283 4.050 10 1 HICF Oc1ccccc1[C@@]1(c2cnoc2)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962643165 PTKHYFRLIVONSM-WNCULLNHSA-N 423.516 4.419 10 1 HICF Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(N)cc2)c1-c1ccc(Cl)cc1 13472850 DVMPIQPGHYXDTF-UHFFFAOYSA-N 409.921 4.214 10 1 HICF CC(C)=CCc1c(O)c(O)c(O)c2oc3c4c(cc(O)c3c(=O)c12)OC(C)(C)C=C4 1772584857 BTXSBSAACLLKAJ-UHFFFAOYSA-N 410.422 4.462 10 1 HICF COc1ccc(OC)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1O 587810426 XFMDINOXOYWKRN-DGIBIBHMSA-N 410.283 4.109 10 1 HICF CC(C)c1cc([C@]2(C)c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)c(O)cc1O 962636773 JRZDGZPYTLIRQH-LOSJGSFVSA-N 420.509 4.132 10 1 HICF O=C(OCc1ccccc1)N1CC[C@@H](Nc2nc(-c3ccc(O)c(O)c3)cs2)C1 1772601714 UKZGVQYZVDVLRT-MRXNPFEDSA-N 411.483 4.044 10 1 HICF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(F)cc([N+](=O)[O-])c2O)N1 587726017 HITIQBMXSMEEJP-QPFGOUBPSA-N 413.218 4.139 10 1 HICF COc1cc2nc3c(cc2c(CN2CCN(C)CC2)c1O)CSc1ccc(C)cc1-3 43072550 SGTCMYSYYFJSRX-UHFFFAOYSA-N 421.566 4.278 10 1 HICF COc1ccc(N2CCN(CCCCOc3ccc4c(C)cc(=O)oc4c3)CC2)cc1 96929499 RAGAEQXVBSYFOF-UHFFFAOYSA-N 422.525 4.091 10 1 HICF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OCC(F)F)cc3)C2)cc1 1772602264 RLJUAUANLFNJQS-YCRPNKLZSA-N 404.457 4.185 10 1 HICF Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)n1-c1c(N)cccc1Br 587937850 ZECXRKHDIOUPNH-UHFFFAOYSA-N 405.317 4.201 10 1 HICF COc1cc(-c2ccc(C[C@H]3NCCc4cc(O)c(O)cc43)cc2)cc(OC)c1OC 26376994 UFPJRJORSDHDFB-HXUWFJFHSA-N 421.493 4.220 10 1 HICF Cc1nn(-c2ccccc2)c(O)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587754147 CXURHPMPGFDZGP-JEOXALJRSA-N 416.294 4.412 10 1 HICF COc1cc(C[C@H](O)c2ccc(N3CCC(C)CC3)cc2)c([N+](=O)[O-])cc1OC 1857758580 IWQKICOWNPESHQ-FQEVSTJZSA-N 400.475 4.124 10 1 HICF CCC[C@@H]1c2cc[nH]c2C=C[C@H]1C(=O)CC(=O)CCc1cc(CNC)c(O)c(OC)c1 2356293022 ZKLMPSWRJFPSPJ-TZIWHRDSSA-N 424.541 4.136 10 1 HICF C[C@@H](Oc1ccccc1)C(=O)NCc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587223785 GCDBRXGWEZGQFS-OAHLLOKOSA-N 402.454 4.021 10 1 HICF Nc1ccc(NC(=O)Nc2cccc3c2C(=O)c2c-3n[nH]c2-c2ccc(O)cc2)cc1 29038511 LDNMTYDKLBARGI-UHFFFAOYSA-N 411.421 4.220 10 1 HICF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc(OCC4CC4)cc3)C2)cc1F 1772588913 QXNUULRNVCMWAG-AOMKIAJQSA-N 412.505 4.469 10 1 HICF CCN1C(=CC=C2C=Nc3ccccc32)N(C(C)C)[C@@H]2C(=O)c3ccccc3C(=O)[C@@H]21 1857537222 LBWZLBHZYHZCNQ-RPWUZVMVSA-N 411.505 4.490 10 1 HICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc4c(cc3[nH]1)NC(=O)CC4)[C@H]1CC=C[C@H]21 587276099 JCVMTZYGBIOCFF-DFFLPILJSA-N 415.453 4.491 10 1 HICF CCCN1[C@H](C)Cc2ccccc2[C@]12c1ccccc1C(=O)c1c(O)cc(O)c(O)c12 963228247 LEUXXOGJNRGTJB-PVPMGCCUSA-N 415.489 4.296 10 1 HICF CC(=O)N1N=C(c2ccc(-n3c(C)ccc3C)cc2)O[C@H]1c1ccccc1[N+](=O)[O-] 103193017 FOADKDWFWXMRJN-QFIPXVFZSA-N 404.426 4.241 10 1 HICF CN(C)c1ccc(CNC[C@@H]2C[C@H]3CCN2C[C@@H]3c2cc(C3CCCC3)nn2C)cc1 2356854333 RNRXUJHCXJQHQH-NHTMILBNSA-N 421.633 4.111 10 1 HICF CCCn1c2ccc(C(C)=O)cc2c2c3c(c4c(c21)CCc1nn(C)cc1-4)C(=O)NC3 29125355 KDPBUHMOJNVHAG-UHFFFAOYSA-N 412.493 4.150 10 1 HICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N(C)C)c([N+](=O)[O-])c2)N1 587745531 HRGHHEJFJWPRED-MLCYQJTMSA-N 408.271 4.186 10 1 HICF COC(=O)c1cccc(-n2c(C)cc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2C)c1 587432020 SXVFYNUEPDCILC-HYBUGGRVSA-N 417.461 4.378 10 1 HICF Cc1cc(CN)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(-n2ccnc2)cc1 84614839 JGZQXUGABFWDEH-UHFFFAOYSA-N 400.482 4.114 10 1 HICF CCN(CC)c1ncccc1-c1ccc2c3[nH]ncc3c(=O)n(CC(F)(F)F)c2c1 205073098 JLBCOIINKWVFIN-UHFFFAOYSA-N 415.419 4.348 10 1 HICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(C(=O)O)c(F)cc3[nH]1)[C@@H]1CC=C[C@H]21 587277551 YCENWPWMNIPDGF-CRTZDJKQSA-N 408.389 4.443 10 1 HICF CC[C@]1(c2cccc(C(=O)OC)c2O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587806054 IUEDYGADPDTPGI-PRWKNARSSA-N 422.294 4.268 10 1 HICF COc1ccc(-c2ccc(CCC(=O)O)n2-c2ccc(C(N)=O)cc2C)c(Cl)c1 73293715 KBGJANSDAREVCP-UHFFFAOYSA-N 412.873 4.231 10 1 HICF COc1cc2c(Sc3nccs3)ncnc2cc1OCCN1CCCCC1 84757800 XEBNVPVBPGRSIV-UHFFFAOYSA-N 402.545 4.111 10 1 HICF Cn1cnnc1SCc1ccc(C(=O)/N=N/c2c(O)n(C)c3ccccc23)cc1 101711410 NLPLBLIQSZZOSP-GHVJWSGMSA-N 406.471 4.229 10 1 HICF CC[C@]1(c2cc([N+](=O)[O-])ccc2O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587747585 ORGFZGKUPMPEPI-YPMLDQLKSA-N 409.255 4.390 10 1 HICF CCCOc1ccc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)c(OC)c1 1772649656 MYUYXQWRPYQFKQ-HTAPYJJXSA-N 412.530 4.339 10 1 HICF CCNC(=O)[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OCC)cc3F)C2)cc1 1772626047 PHZOLBAVZCQBND-OXJNMPFZSA-N 400.494 4.122 10 1 HICF CC(=O)Oc1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@H]3C=CC[C@H]32)c(OC(C)=O)c1 5726379 GSJSDLGYROZESW-GSHUGGBRSA-N 407.422 4.062 10 1 HICF CN1CCN([C@H]2Cc3ccccc3Sc3ccc(CNC(=O)C(C)(C)C)cc32)CC1 64549124 CKLAPTDGXNWXQT-NRFANRHFSA-N 423.626 4.345 10 1 HICF CN(C)c1ccc(/C=C/c2cc(/C=C/c3ccc(N(C)C)c(O)c3)ncn2)cc1O 84689462 GOHLOPDTNXVREY-NXZHAISVSA-N 402.498 4.361 10 1 HICF Cc1ccc(/C=C/C[C@H](O)c2cc(O)c3c(c2O)C(=O)c2ccccc2C3=O)cc1 653854565 SMJYADZXVUUYIT-PXPVJAHISA-N 400.430 4.319 10 1 HICF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@H](c2c(O)ccc3ncccc23)N1 963166947 CXAYIZBUARYWSN-SCLBCKFNSA-N 422.790 4.301 10 1 HICF CCc1ccc(/C=C2\SC(N[C@@H](C(=O)O)c3ccc(F)c(Cl)c3)=NC2=O)o1 28816653 XUQHFZRKQGWPLT-CKNOQMABSA-N 408.838 4.020 10 1 HICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCC(O)CC3)cc2)N1 587765503 CUWFUBJVGRRFJE-LRTDBIEQSA-N 419.338 4.173 10 1 HICF CC(C)(C)c1cc(Br)c(O)c([C@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)c1 962902827 VNLCOIUFRNMGSA-IRXDYDNUSA-N 422.294 4.280 10 1 HICF O=C1c2ccccc2C(=O)c2c1nnn2-c1cc(F)c(-c2cccc(F)c2)c(F)c1 1911582560 QXMKGYDNKYUBEN-UHFFFAOYSA-N 405.335 4.127 10 1 HICF Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](OCc1cc(F)cc(F)c1)C2 28391140 QLYDVXROSRWHOJ-FGZHOGPDSA-N 416.376 4.049 10 1 HICF CC(C)COC(=O)CCCc1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1 29549067 ZBACMAKWBQXHTC-UHFFFAOYSA-N 402.579 4.106 10 1 HICF CC(C)n1cnc2c(NCc3ccccc3O)nc(NCc3ccccc3O)nc21 299863922 QHJFVKVCFKOHNS-UHFFFAOYSA-N 404.474 4.043 10 1 HICF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2c1ccc(O)c2O 587475824 ARRKJCIPYQKSLC-VWLOTQADSA-N 416.429 4.209 10 1 HICF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCOCC3)cc2F)N1 587726649 YQPXIFMYPFRXJB-YUNKPMOVSA-N 423.301 4.188 10 1 HICF COc1ccc(N2CC[C@]3(C2)N[C@H](C)Cc2cc(Br)c(F)cc23)cc1 587769286 ODJAQDKPUJNEKP-ZUOKHONESA-N 405.311 4.237 10 1 HICF Cc1ccc2c(c1)[C@@]1(NCCc3cc(Cl)ccc31)C(=O)[C@H](c1ccc(O)c(O)c1)O2 963390589 LAPZBEPPPGXFFZ-LADGPHEKSA-N 421.880 4.152 10 1 HICF CCN(c1ccc(-c2csc(-c3ccc(N(C)C)cc3)n2)cc1)S(C)(=O)=O 8042133 KGLGFTCULYAQRC-UHFFFAOYSA-N 401.557 4.329 10 1 HICF Nc1ccc(CNc2nc(NCc3cccc(C(F)(F)F)c3)nc3[nH]cnc23)cc1 89455073 HWRFTOWHSBECMR-UHFFFAOYSA-N 413.407 4.178 10 1 HICF CC(C)Oc1ccc(N2CC[C@@H](Oc3ccc([C@H](C)NC(=O)N(C)C)cc3)C2)cc1 1772642267 DZDRNHPPRHVLKJ-FDDCHVKYSA-N 411.546 4.464 10 1 HICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCOCC3)cc2F)N1 587726647 YQPXIFMYPFRXJB-MPBGBICISA-N 423.301 4.188 10 1 HICF CC(=O)N[C@H](Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)c1ccc(C)cc1 587216719 KNMBWAFPGSZLII-OAQYLSRUSA-N 423.472 4.067 10 1 HICF Cc1nn(-c2ccccc2)c(Cl)c1C=C1C(=N)N2N=C(C(C)C)SC2=NC1=O 1857627051 OOGOKBMDBADBAK-UHFFFAOYSA-N 412.906 4.109 10 1 HICF C/C(=C\COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O)CCCC(C)(C)O 238756230 QYEGKHHDTUXMJH-VGOFMYFVSA-N 424.493 4.448 10 1 HICF COc1cc2c3c(c1)O[C@@H](c1cc(C)n(-c4ccc5c(c4)OCCO5)c1C)[C@@H](C2)C3=O 587431630 PSHVJUDEPDOEHU-DFBJGRDBSA-N 417.461 4.363 10 1 HICF Cc1c(NC=O)ccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccccc3nc12 26845733 MGVVVPSJTKLCAG-UHFFFAOYSA-N 420.494 4.380 10 1 HICF CCOc1cc(N2CCN(C(=O)Nc3nc4ccccc4s3)CC2)ccc1OC 49036997 SYBKDFAGCDIJKV-UHFFFAOYSA-N 412.515 4.058 10 1 HICF in-vitro COc1ccc(CN2CCN(c3ccc(-c4nc5ccccc5o4)cc3)CC2)cn1 95586649 CUMJZCQZYBSCRO-UHFFFAOYSA-N 400.482 4.221 10 1 HICF CC[C@@H](C)Oc1ccc(N2CC(Oc3ccc([C@H](C)NC(C)=O)cc3)C2)c(OC)c1 142322730 FPHCKEQAPPNMKN-SJORKVTESA-N 412.530 4.337 10 1 HICF COc1ccccc1N1CCN(CCCCNC(=O)/N=N/c2ccc(F)cc2)CC1 210998282 HLWTUGVLYCATKY-OCEACIFDSA-N 413.497 4.230 10 1 HICF CCc1ccc(/C=C2\SC(N[C@H](C(=O)O)c3ccc(F)c(Cl)c3)=NC2=O)o1 28816655 XUQHFZRKQGWPLT-OWTLUSIOSA-N 408.838 4.020 10 1 HICF CCOC(=O)Cc1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2cccc(F)c2)c1C 28862694 UVNMAAHEMZZIAX-UHFFFAOYSA-N 415.486 4.101 10 1 HICF CC(=O)Nc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587739513 ADRHBACJTDDKOK-OVWNDWIMSA-N 407.283 4.050 10 1 HICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C=O)c3c(c2)CCCN3C)N1 587763902 AOLLFHPWQHTKRB-ODXCJYRJSA-N 417.322 4.407 10 1 HICF O=C1c2ccccc2C(=O)c2oc(C(=O)N3CCC(c4ccc(F)cc4)CC3)cc21 1857550352 RZYPLUMOQLKAPU-UHFFFAOYSA-N 403.409 4.214 10 1 HICF O=C(CCn1nnc2ccccc21)/N=N/c1c(O)[nH]c2ccc(Br)cc12 103965864 ZWZWRYIYVGEAIM-QURGRASLSA-N 413.235 4.081 10 1 HICF CCCCCC(=O)c1cc(C)n(-c2ccc(-c3nnn(C(=O)N(C)C)n3)cc2)c1C 96258079 CEYJLVMWOIGWQC-UHFFFAOYSA-N 408.506 4.040 10 1 HICF Cc1cc([N+](=O)[O-])c(O)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587743964 FUEMMOADCWEANW-XTZNXHDOSA-N 409.255 4.308 10 1 HICF Cc1cc(N2CCOCC2)ccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587770164 CPDZOTQJJPDHBZ-SZNDQCEHSA-N 419.338 4.357 10 1 HICF COC(=O)c1ccccc1-n1c(C)cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1C 587388963 IEFXLWQFCYGGTI-QFIPXVFZSA-N 404.466 4.478 10 1 HICF CCN(CC)c1ccc(CNC(=O)[C@@H]2CNC[C@H]2c2ccc(C(F)(F)F)cc2)cc1 1857576382 NOBTZUHVRRHRIT-LEWJYISDSA-N 419.491 4.171 10 1 HICF CCOc1ccc(NS(=O)(=O)c2cc3c(CN=[N+]=[N-])cc(=O)oc3cc2C)cc1 49067667 HAIJFYFOWXTTRF-UHFFFAOYSA-N 414.443 4.111 10 1 HICF CCOc1ccc(N2CC[C@@]3(C2)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)cc1 587584169 WZQXZHBROKLHLR-DHLKQENFSA-N 417.461 4.402 10 1 HICF O=C1CSc2ccc(-c3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)cc2N1 587044347 TZXOBMIXWAGJTA-UHFFFAOYSA-N 411.442 4.050 10 1 HICF Cc1ccc(O)c([C@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587821632 JAAZHANWOSGULS-ODXCJYRJSA-N 422.294 4.245 10 1 HICF O=C(c1ccc(Br)cc1)n1c2cc(O)c(O)cc2c2ccc(O)c(O)c21 13737764 ORGZHWGWMFNRDV-UHFFFAOYSA-N 414.211 4.068 10 1 HICF C[C@@]1(c2ccc(N3CCCC3)cc2)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962695652 JHNXXVHBLSSKAD-FPOVZHCZSA-N 422.422 4.307 10 1 HICF CC(=O)N(c1ccc(Nc2c3ccccc3nc3cc(N)ccc23)cc1)S(C)(=O)=O 26847925 SLBMXBJJUKCMFV-UHFFFAOYSA-N 420.494 4.026 10 1 HICF CC(=O)N[C@@H](Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)c1ccc(C)cc1 587216718 KNMBWAFPGSZLII-NRFANRHFSA-N 423.472 4.067 10 1 HICF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OCOC(C)C)cc3)C2)cc1 1772641562 SRXDTSMLMGICBZ-MHECFPHRSA-N 412.530 4.303 10 1 HICF Nc1ccc(COc2cccc(NC(=O)C3CCN(c4ccncc4)CC3)c2)cc1 96285755 IQOOQKIXMFOBLG-UHFFFAOYSA-N 402.498 4.098 10 1 HICF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(O)ccc3ccc(=O)oc23)N1 587837540 ILCISYVINVBXQE-WVDJIFEKSA-N 418.262 4.198 10 1 HICF COc1ccc2c(c1OC)[C@](CC(=O)c1ccco1)(c1ccccc1O)N(C)[C@H](C)C2 962623162 JXWHVZHFWCFJNI-CPJLOUKISA-N 421.493 4.395 10 1 HICF COc1cc2c3c(c1)O[C@](C)(c1ccc(C(=O)C(=O)c4ccccc4)cc1)[C@@H](C2)C3=O 587446092 SZHSDZSBFUBTHI-RXFWQSSRSA-N 412.441 4.424 10 1 HICF COc1ccc(C2=NN[C@@]3(S2)C(=O)N(Cc2ccccc2)c2ccc(C)cc23)cc1 28824769 OYDZMCCYUDYFHU-DEOSSOPVSA-N 415.518 4.401 10 1 HICF Cc1cc(O)c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)C=C[C@](C)(CCCC(C)(C)O)O3 14660209 ZAOGRZZIKRABFR-VWLOTQADSA-N 422.477 4.287 10 1 HICF biogenic O=C(/C=C/c1ccc(N2CCOCC2)cc1)Nc1nc(-c2cccc(F)c2)cs1 653785008 SIAWXQXFBGCCQG-RMKNXTFCSA-N 409.486 4.438 10 1 HICF O=C(NCCOc1ccccc1)[C@H]1Nc2ccc(OC(F)(F)F)cc2[C@H]2C=CC[C@H]12 15952434 WDWQAJLFJQFMEO-ZWOKBUDYSA-N 418.415 4.234 10 1 HICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc4c(cc3[nH]1)NC(=O)CC4)[C@@H]1CC=C[C@@H]21 587276102 JCVMTZYGBIOCFF-HLFMIMNKSA-N 415.453 4.491 10 1 HICF CCN(c1ccccc1)c1cc(-c2c[nH]c3ncc(-c4cnn(C)c4)cc23)nc(N)n1 169700751 YFTPBLVHHOAOOB-UHFFFAOYSA-N 410.485 4.161 10 1 HICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCOCC3)cc2)N1 587775446 SIMCYVLPZFXSLQ-SZNDQCEHSA-N 419.338 4.223 10 1 HICF COc1ccc(N2CNC(=O)C23CCN([C@H]2CCCC[C@H]2c2ccccc2)CC3)cc1 28564102 ZHOUQPQHJWNVFX-ZEQRLZLVSA-N 419.569 4.150 10 1 HICF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc4c(c3)OCC(C)(C)CO4)C2)cc1 1772597203 UJHUABQJNZSBNX-JTSKRJEESA-N 424.541 4.339 10 1 HICF CCCN(CCC)C(=O)CSc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 103265425 YXFDGPACOHCRKT-UHFFFAOYSA-N 421.522 4.079 10 1 HICF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@H](O)c1ccc(N(C)C)cc1)O2 587387410 PQAPLSXLEZDSFZ-JWQCQUIFSA-N 402.494 4.238 10 1 HICF CC(=O)Nc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587742059 JFEZRHFAQOZBGS-APBUJDDRSA-N 407.283 4.050 10 1 HICF C[C@@H]1CCc2c(sc3ncn(CC(=O)/N=N/c4c(O)[nH]c5ccccc45)c(=O)c23)C1 13496528 FDXCBMAWQBWMPV-PZDJSTGFSA-N 421.482 4.080 10 1 HICF CN(C)C(=N)NC1=NC(=O)/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)S1 13734181 QHLGWPATBHZRQZ-PTNGSMBKSA-N 402.564 4.043 10 1 HICF COc1ccccc1/C=C/C[C@@H](O)c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O 653849083 MQFRGZFGTSXLTN-JHTBKMLMSA-N 416.429 4.019 10 1 HICF O=C1c2ccccc2C(=O)c2c(O)c([C@@H](O)C/C=C/c3ccccc3F)cc(O)c21 653856847 NKNIADCHNPITLW-FZMUQLTDSA-N 404.393 4.149 10 1 HICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(C(=O)N(C)C)cc3[nH]1)[C@H]1CC=C[C@@H]21 587275297 BNESJIJKTLOEFY-XFQAVAEZSA-N 417.469 4.308 10 1 HICF Cc1cc(N2CCOCC2)ccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587772427 HOSBJQVRGQTNNR-SPLOXXLWSA-N 419.338 4.357 10 1 HICF CC(C)(C)c1cc(/C=C2\SC(NCCCC(=O)O)=NC2=O)cc(C(C)(C)C)c1O 13734187 QOFXYHINPRUEMS-VBKFSLOCSA-N 418.559 4.412 10 1 HICF COc1cc2c(c(/C=C/c3ccccc3)c1C(=O)O)C(=O)c1c(O)cccc1C2=O 28825670 PDYIDZZHWITQCL-ZHACJKMWSA-N 400.386 4.045 10 1 HICF Oc1ccc2[nH]c(-c3cccs3)nc2c1CN1CCC(O)(c2ccccc2)CC1 45193907 HJMHXCXRDZCQFS-UHFFFAOYSA-N 405.523 4.481 10 1 HICF CN1CCN([C@@H]2Cc3ccccc3Sc3ccc(CNC(=O)C(C)(C)C)cc32)CC1 64549123 CKLAPTDGXNWXQT-OAQYLSRUSA-N 423.626 4.345 10 1 HICF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C=O)c3c(c2)CCCN3C)N1 587768680 VQAWKDDDTHDZPD-YUNKPMOVSA-N 417.322 4.407 10 1 HICF O=C1c2ccccc2-c2nc3nc(O)[nH]c(=O)c3c(-c3ccc(Cl)c(Cl)c3)c21 71318762 RGBQQKNFDMZNNB-UHFFFAOYSA-N 410.216 4.209 10 1 HICF COc1ccc2/c(=C/c3ccc(N(C)C)cc3)c3cc(-c4ccccc4)[n+](C)n3c2c1 5596837 NGVJYSLQYZDMPC-UHFFFAOYSA-N 408.525 4.206 10 1 HICF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C=O)c3c(c2)CCCN3C)N1 587768673 VQAWKDDDTHDZPD-FKIZINRSSA-N 417.322 4.407 10 1 HICF Cc1cc(N2CCOCC2)ccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587772421 HOSBJQVRGQTNNR-LHSJRXKWSA-N 419.338 4.357 10 1 HICF CCOC(=O)c1ccc(O)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587797630 MONCMRAJVBNBAE-MGNBDDOMSA-N 408.267 4.094 10 1 HICF Oc1ccc(C2=COc3cc(O)c(O)cc3[C@@]23NCCc2cccc(Cl)c23)cc1 963389446 ADDPBVPXJFHERK-HSZRJFAPSA-N 407.853 4.280 10 1 HICF CN(C)CCNC1=NC(=O)/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)S1 13734184 YOUXNTAIILPODE-LGMDPLHJSA-N 403.592 4.109 10 1 HICF Nc1ccc(Oc2ccc3nc(-c4cn(-c5cccc([N+](=O)[O-])c5)nn4)[nH]c3c2)cc1 587270637 XHMASVNHXOWBOP-UHFFFAOYSA-N 413.397 4.093 10 1 HICF Cc1cc(N2CCOCC2)ccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587598704 YFUAEAUWQJFSFE-WIOPSUGQSA-N 417.461 4.240 10 1 HICF CC(C)(C)C(=O)Nc1ccc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cn1 587245840 ZOTHYVAXJQFOEN-UHFFFAOYSA-N 424.460 4.385 10 1 HICF CC(=O)Nc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587742060 JFEZRHFAQOZBGS-DGIBIBHMSA-N 407.283 4.050 10 1 HICF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cc(Br)cnc3F)[nH]c21 587178272 YKLBTINOGLYWBP-UHFFFAOYSA-N 422.213 4.302 10 1 HICF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(O)ccc([N+](=O)[O-])c2Cl)N1 587693288 JEVZVNGLIZNJNZ-GYKQLYQFSA-N 415.646 4.479 10 1 HICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc4nc(O)[nH]c4cc3[nH]1)[C@@H]1CC=C[C@@H]21 587275241 AKVOWTABZGGHLS-CLUVUEOHSA-N 402.414 4.188 10 1 HICF O=C1c2ccccc2-c2nc3nc(O)[nH]c(=O)c3c(-c3ccc(Cl)cc3Cl)c21 71316633 YTPQOCACSVYKIW-UHFFFAOYSA-N 410.216 4.209 10 1 HICF CCCCc1c(-c2ccc(O)c(O)c2)oc2c(OC)c(OC)cc(OC)c2c1=O 2014140 AVVILECDXLRSJJ-UHFFFAOYSA-N 400.427 4.240 10 1 HICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc([C@H](N)N=O)cc3[nH]1)[C@@H]1CC=C[C@@H]21 587275862 HCKPJTNSVZKEHL-VPCNSNALSA-N 404.430 4.330 10 1 HICF Cc1cc(=O)oc2c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(O)ccc12 587838245 NAIRMYDMXGZYAL-GIGQVBGESA-N 418.262 4.332 10 1 HICF Cc1cc(C(=O)Sc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c(C)o1 103265440 TVQPLVJFPAWZIU-UHFFFAOYSA-N 402.431 4.481 10 1 HICF CC(C)C[C@H](NC(=O)Cn1ccc2ccc(-c3cnc4ccccc4c3)cc21)C(=O)O 299831094 AENWETPMVZWEED-QFIPXVFZSA-N 415.493 4.472 10 1 HICF COc1ccc(N2CCN(CCCCc3c[nH]c4ccc(OC(C)=O)cc34)CC2)cc1 13582425 SPDSMYRGVAEZCP-UHFFFAOYSA-N 421.541 4.247 10 1 HICF CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C(/c1ccc(Cl)cc1)N1CCOCC1 101807332 VSSCKVIFSYDTDI-VXPUYCOJSA-N 416.308 4.459 10 1 HICF CCOC(=O)C1=C(C)[N+](C)(C)c2ccc3c(c21)CN1CCc2cc(OC)ccc2[C@H]1O3 299818525 MSZJZWGLYZXWAH-XMMPIXPASA-N 421.517 4.019 10 1 HICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/N(C)C)(c2ccccc2O)N1 587739906 IERIXYSMXSNFLA-BKNWUEFHSA-N 405.311 4.147 10 1 HICF COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@@H](O)c1ccc(N(C)C)cc1)[C@@H](C2)C3=O 587428176 ICRIMHVDCYEDNQ-OUIFVKKZSA-N 415.489 4.138 10 1 HICF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N(C)C)cc2[N+](=O)[O-])N1 587747409 NQKAZXYJLPADIE-XTZNXHDOSA-N 408.271 4.186 10 1 HICF COc1cc(OC2CC2)ccc1N1CC[C@H](Oc2ccc([C@H](C)NC(C)=O)cc2)C1 1772588494 XMZRXBQGVQDFOB-AOMKIAJQSA-N 410.514 4.091 10 1 HICF COc1cc2c3c(c1)O[C@](c1ccc(Cl)cc1)(c1ccc(O)c(O)c1)[C@@H](C2)C3=O 587420851 JNJWFMXZKZAJJR-GAJHUEQPSA-N 408.837 4.451 10 1 HICF CC[C@]1(c2cccc(C(=O)OC)c2O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587804958 FZDAFYWOSHIMSR-PRWKNARSSA-N 422.294 4.268 10 1 HICF COc1cc(C2=NN(S(=O)(=O)c3ccc(C)cc3)[C@@H](c3ccccc3)C2)ccc1O 653737529 AGNSUSGEAURXIR-OAQYLSRUSA-N 422.506 4.249 10 1 HICF Oc1ccc(C2=COc3cc(O)c(O)cc3[C@]23NCCc2cccc(Cl)c23)cc1 963389449 ADDPBVPXJFHERK-QHCPKHFHSA-N 407.853 4.280 10 1 HICF O=C(Nc1ccc(CC[S@@](=O)/C=C/c2ccc(O)c(O)c2)cc1)c1ccccc1 1857763935 ZRYDBTGFLAUBNF-FZISZGEFSA-N 407.491 4.312 10 1 HICF C[C@H](NC(=O)C1CC1)c1ccc(OC2CN(c3ccc(OCC4CC4)cc3)C2)cc1 142227875 QDLXUZFLYLPPKU-KRWDZBQOSA-N 406.526 4.330 10 1 HICF COC(=O)c1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1N(C)C 587757471 UZQJUTXQHBIMIG-WLRWDXFRSA-N 421.310 4.064 10 1 HICF CCOC(=O)CC[C@@]1(c2ccc(N(C)C)cc2)c2ccc(F)cc2C[C@H]2CCCN21 963108256 LDANOMBTCBYKNJ-RCZVLFRGSA-N 410.533 4.499 10 1 HICF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N(C)C)c([N+](=O)[O-])c2)N1 587747939 RAAMGRRZKZKXQT-XTZNXHDOSA-N 408.271 4.186 10 1 HICF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(C2C(=O)c3ccccc3C2=O)N1 587819197 HMBRHZNDGDTLGY-WVDJIFEKSA-N 402.263 4.033 10 1 HICF Cc1nc2c(C(=O)N(C)Cc3ccccc3)cnn2c(O)c1Cc1ccc(Cl)cc1 8592925 YAKGDNYTXXMYAC-UHFFFAOYSA-N 420.900 4.260 10 1 HICF CCN(CC)S(=O)(=O)c1cc(OC)ccc1N=Nc1ccc(O)c2ncccc12 253920545 FEFDGXWAFNRHTN-UHFFFAOYSA-N 414.487 4.395 10 1 HICF CCOc1ccc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)c(F)c1F 1772631567 FNFUZFQCBDDGTP-KBXCAEBGSA-N 404.457 4.218 10 1 HICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/N(C)C)(c2ccccc2O)N1 587739908 IERIXYSMXSNFLA-KEWVOAJGSA-N 405.311 4.147 10 1 HICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N(C)C)cc2[N+](=O)[O-])N1 587747406 NQKAZXYJLPADIE-MGNBDDOMSA-N 408.271 4.186 10 1 HICF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C2C(=O)c3ccccc3C2=O)N1 587819536 IQMSFLFYRKVKNI-FVINQWEUSA-N 402.263 4.033 10 1 HICF Cc1cc(Cl)cc([C@H]2c3scnc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)c1O 963148155 PDGKEZHJVXFMHJ-KBPBESRZSA-N 424.906 4.146 10 1 HICF COC(=O)c1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1N(C)C 587757468 UZQJUTXQHBIMIG-NSPYISDASA-N 421.310 4.064 10 1 HICF CCOC(=O)c1ccc(O)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587800429 WZBQEPBTFBJNJE-MLCYQJTMSA-N 408.267 4.094 10 1 HICF COc1ccc([C@@H]2CC(c3c(O)ccc4ccccc34)=NN2C2=NC(=O)CS2)cc1 1772617419 RIMMTRSGBJOUMK-IBGZPJMESA-N 417.490 4.335 10 1 HICF COC(=O)C[C@]1(c2ccc(OC)cc2O)NCCc2cc(-c3ccccc3)ccc21 962668831 YEAXNTRPRBDQOZ-VWLOTQADSA-N 403.478 4.020 10 1 HICF CC(=O)c1c(-c2ccc(O)c(O)c2)oc2cc(C=Cc3ccc(O)c(O)c3)oc(=O)c12 2356641181 HKRPUELQNBGEIC-UHFFFAOYSA-N 420.373 4.248 10 1 HICF CN1C(=O)C[C@@H]2CN[C@]3(C=C(c4ccccc4)Oc4cccc(O)c43)c3cccc1c32 963024815 LZRUKMUMITWNJY-WGDIFIGCSA-N 410.473 4.123 10 1 HICF C[C@H](NC(=O)N(C)C)c1ccc(OC2CN(c3ccc(OCC4CC4)cc3)C2)cc1 142311968 AMDWIEGDQVFIMU-KRWDZBQOSA-N 409.530 4.075 10 1 HICF CC1(C)C[C@]2(CN(Cc3ccc(N)cc3)CCO2)c2cc(Br)ccc2O1 35079539 SONAGVOUCSVDJG-NRFANRHFSA-N 417.347 4.320 10 1 HICF CCc1ccc(O)c2c1[C@H](C)C[C@]21N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962713236 UBGCNDIYJACASS-RTNATMCPSA-N 423.406 4.462 10 1 HICF CC(=O)Oc1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@H]3C=CC[C@@H]32)c(OC(C)=O)c1 5726381 GSJSDLGYROZESW-PNLZDCPESA-N 407.422 4.062 10 1 HICF CCOC(=O)C1=C(O)/C(=C\c2cc(C)n(-c3ccccc3C(=O)OC)c2C)N=C1C 103541725 VNZFARBOLLYPJV-LDADJPATSA-N 408.454 4.071 10 1 HICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(F)cc([N+](=O)[O-])c2O)N1 587726016 HITIQBMXSMEEJP-CQLKUDPESA-N 413.218 4.139 10 1 HICF CN(C)S(=O)(=O)c1ccc(-c2csc(/N=N/Cc3ccc(O)cc3)n2)cc1 169689575 BCJUERWJFMEYJN-XUTLUUPISA-N 402.501 4.050 10 1 HICF O=C1c2ccccc2C(=O)c2c1ccc1[nH]c(-c3cccc(OCC(F)F)n3)nc21 587126811 ZCRUBRXZGIBLAZ-UHFFFAOYSA-N 405.360 4.044 10 1 HICF Cc1cc(N)c2c(c1)C(=O)CC1(CCN(c3ccc(OC(F)(F)F)cc3)CC1)O2 587381270 FMQZALUJCHBTFY-UHFFFAOYSA-N 406.404 4.480 10 1 HICF COc1cc2c3c(c1)O[C@@]1(C=C(c4ccccc4)Oc4c1ccc(O)c4O)[C@@H](C2)C3=O 587453001 MYRQQKMIJFKRGG-SSOJOUAXSA-N 414.413 4.183 10 1 HICF Cc1cc([N+](=O)[O-])c(O)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587746808 OEJOMLWGNOTLOF-MGNBDDOMSA-N 409.255 4.308 10 1 HICF COc1cc(-c2ccc(C[C@@H]3NCCc4cc(O)c(O)cc43)cc2)cc(OC)c1OC 26376992 UFPJRJORSDHDFB-FQEVSTJZSA-N 421.493 4.220 10 1 HICF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@@H](O)c1ccc(N(C)C)cc1)O2 587387411 PQAPLSXLEZDSFZ-LOSJGSFVSA-N 402.494 4.238 10 1 HICF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCOCC3)cc2)N1 587775443 SIMCYVLPZFXSLQ-LHSJRXKWSA-N 419.338 4.223 10 1 HICF CCOc1ccccc1[C@@H]1NC(c2ccc3c(c2)OCO3)=C[C@H](c2ccccc2O)N1 102956519 YMSTUYZOLDSVPQ-CJFMBICVSA-N 416.477 4.493 10 1 HICF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OCC4CC4)c(F)c3)C2)cc1 1772631416 WFSWCLXEKIQRGT-KSFYIVLOSA-N 412.505 4.469 10 1 HICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N(C)C)c([N+](=O)[O-])c2)N1 587745527 HRGHHEJFJWPRED-MGNBDDOMSA-N 408.271 4.186 10 1 HICF C[C@@]1(c2ccc(Br)cc2O)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962730329 NEXPNPITACNZMI-WMLDXEAASA-N 414.221 4.064 10 1 HICF CN(C)c1ccc(CNC[C@@H]2C[C@H]3CCN2C[C@H]3c2cc(C3CCCC3)nn2C)cc1 2356854334 RNRXUJHCXJQHQH-YFNKSVMNSA-N 421.633 4.111 10 1 HICF O=c1c(OCc2ccc(F)cc2)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 169350440 FYKCPSCQGOGVBZ-UHFFFAOYSA-N 410.353 4.001 10 1 HICF Cc1ccc(O)c([C@@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587823350 UJMANZNHXJDQOW-YUNKPMOVSA-N 422.294 4.245 10 1 HICF O=S(=O)(Nc1ccccn1)c1ccc(/N=N/c2ccc(O)c3c2NCCC3)cc1 103278196 QJNLYWKQIWYVJF-WCWDXBQESA-N 409.471 4.362 10 1 HICF O=C(c1cccnc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Cl)cc1 38727400 CGOVSCBPOQOMIP-UHFFFAOYSA-N 407.278 4.420 10 1 HICF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc(OCCCF)cc3)C2)cc1 1772646361 AWLUOAWJQYGRCK-SBUREZEXSA-N 400.494 4.280 10 1 HICF Nc1ccc(Oc2ccc3nc(COc4ccc([N+](=O)[O-])cc4C=O)[nH]c3c2)cc1 587270342 VLSWXGQNAHBOGM-UHFFFAOYSA-N 404.382 4.237 10 1 HICF CCC(C)(C)c1ccc(O)c([C@]2(C)N[C@H](C(=O)O)Cc3c2cnc2ccccc32)c1 963218149 CFEBHUAEFJUMDN-OFVILXPXSA-N 404.510 4.490 10 1 HICF COc1ccc2nc3cc(N)ccc3c(Nc3ccc(NS(C)(=O)=O)cc3)c2c1 26845654 BIRAZHDFRBLHTD-UHFFFAOYSA-N 408.483 4.094 10 1 HICF CN1C(=O)C[C@@H]2CN[C@](C)(c3cc(Cl)cc(Br)c3O)c3cccc1c32 963022225 IGKKHWGRIWAAFV-DGIBIBHMSA-N 421.722 4.125 10 1 HICF O=C1c2ccccc2C(=O)c2c(O)c([C@@H](O)c3ccc(Cl)cc3Cl)cc(O)c21 1857595098 PWEUEAOVQWBFCM-SFHVURJKSA-N 415.228 4.262 10 1 HICF COc1ccc(N2CC[C@@]3(C2)N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1 587766314 GKQFMMIUGIRZFD-RBZFPXEDSA-N 405.311 4.237 10 1 HICF CC[C@]1(c2ccc(O)c(O)c2)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962644986 RUCLHGMABKTOPS-NVQXNPDNSA-N 400.522 4.498 10 1 HICF COC(=O)c1ccc(-n2c(C)cc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2C)cc1 587429864 DKMXTKAVKGWOGU-HYBUGGRVSA-N 417.461 4.378 10 1 HICF CCOC(=O)Cn1c(C)c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc21 587432575 WRFUNAXSGIHHPU-MZNJEOGPSA-N 405.450 4.010 10 1 HICF COc1ccccc1[C@@H]1NC(c2ccc3c(c2)OCO3)=C[C@@H](c2ccccc2O)N1 2934388 JBSBGVKKPACTTE-YADARESESA-N 402.450 4.103 10 1 HICF CCN(CC)S(=O)(=O)c1cc(OC)ccc1/N=N/c1ccc(O)c2ncccc12 95544943 FEFDGXWAFNRHTN-GHVJWSGMSA-N 414.487 4.395 10 1 HICF CCCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)C4CC4)cc3)C2)c(OC)c1 169694406 VTLPNMYJGIBUBF-KRWDZBQOSA-N 424.541 4.339 10 1 HICF C[C@@]1(c2ccc(N3CCCC3)cc2)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962695651 JHNXXVHBLSSKAD-CTNGQTDRSA-N 422.422 4.307 10 1 HICF CN1C[C@@H](CNC(=O)OCc2ccccc2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21 3873780 WZHJKEUHNJHDLS-JMUQELJHSA-N 403.526 4.065 10 1 HICF CCCC/C=C/c1c(O)cc2c(c1O)C(=O)c1c(cc(OC)c(Cl)c1O)C2=O 84690418 BQGOKZYOQBVDFY-VOTSOKGWSA-N 402.830 4.444 10 1 HICF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C=C(c3ccccc3)Oc3c1ccc(O)c3O)O2 587406224 AIGLGFLYZJYHED-XMMPIXPASA-N 401.418 4.283 10 1 HICF Cc1cc(C)c(/N=N/C(=C2/NCCN2Cc2cnc(Cl)s2)[N+](=O)[O-])c(C)c1 103222829 BHMJZYIVETYQCS-DYUKIBRESA-N 406.899 4.314 10 1 HICF C[C@H]1CCc2c(sc3ncn(CC(=O)/N=N/c4c(O)[nH]c5ccccc45)c(=O)c23)C1 13496529 FDXCBMAWQBWMPV-AOITYGGZSA-N 421.482 4.080 10 1 HICF O=C(c1cc(-c2cccs2)n[nH]1)N1N=C(c2cccnc2)C[C@H]1c1ccccc1O 71295660 ILDHGPXJMRGGTC-IBGZPJMESA-N 415.478 4.230 10 1 HICF COc1cc2c3c(c1)O[C@]1(C=C(c4ccccc4)Oc4c1ccc(O)c4O)[C@@H](C2)C3=O 587452999 MYRQQKMIJFKRGG-GKVSMKOHSA-N 414.413 4.183 10 1 HICF CCc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c([N+](=O)[O-])c1 587743768 FKBTXBMTPXQWDH-HUTHGQBESA-N 409.255 4.388 10 1 HICF CN1CCc2c(Br)cccc2[C@@]1(C)c1cc(Cl)cc([N+](=O)[O-])c1O 963271894 WYHFVJVZRFZMTR-KRWDZBQOSA-N 411.683 4.468 10 1 HICF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3ncc(Br)cc3F)[nH]c21 587157515 NSGHOVVCVANXHU-UHFFFAOYSA-N 422.213 4.302 10 1 HICF Cc1nn(-c2ccccc2)c(O)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587758128 PSNYALNTNNJGBM-JEOXALJRSA-N 416.294 4.412 10 1 HICF C[C@H](NC(=O)N(C)C)c1ccc(O[C@H]2CCN(c3ccc(OCC4CC4)cc3)C2)cc1 223325174 GPOQJWAPBBVCDT-UUOWRZLLSA-N 423.557 4.465 10 1 HICF CCN(CC)C(=S)/N=N/c1c(O)n(CN2C[C@H](C)O[C@@H](C)C2)c2ccccc12 169360796 ZTDLCQVCIHRUIT-MHWUSFCKSA-N 403.552 4.124 10 1 HICF Cc1ccc(O)c([C@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587823345 UJMANZNHXJDQOW-MPBGBICISA-N 422.294 4.245 10 1 HICF Cc1ccccc1/C=C/C[C@H](O)c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O 653846271 QEBYRDQELFBDQS-AIADIJKESA-N 400.430 4.319 10 1 HICF C[C@]12CC[C@H]3[C@H](CC[C@H]4NC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2C(=O)Nc1ccc(N)cc1 36189351 LFESSVFWIJQGLT-MUNABGDISA-N 407.558 4.121 10 1 HICF O=C1/C(=C/c2cc(O)c(O)c(O)c2)SC(=S)N1c1cccc(C(F)(F)F)c1 40403347 OOZDRQVHSLZQPK-MLPAPPSSSA-N 413.398 4.228 10 1 HICF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N(C)C)c3nsnc23)N1 587860099 ZVRAYESWKBQBHO-FVMDXXJSSA-N 421.339 4.283 10 1 HICF Nc1ccc(C[C@H](N)c2csc(Nc3cc(Oc4ccccc4)ncn3)n2)cc1 61905808 KPXDGXCAMZTODO-KRWDZBQOSA-N 404.499 4.294 10 3 HICF CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@H]1/N=N\c1ccc(C(N)=O)cc1 18204343 ZDSQSMNNVVZFFK-AXUOHLPSSA-N 418.482 4.092 10 1 HICF CC(=O)Nc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587739510 ADRHBACJTDDKOK-APBUJDDRSA-N 407.283 4.050 10 1 HICF COc1ccc(N2CCC3(CC2)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)cc1 587583854 VJELEPBCZLINHQ-JOCHJYFZSA-N 417.461 4.402 10 1 HICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N(C)C)c3nsnc23)N1 587853522 ACFIKLHHEAVLHA-ABKXIKBNSA-N 421.339 4.283 10 1 HICF COc1cc(O)c2c3c1-c1c(ccc(O)c1O)[C@@H]1Oc4ccccc4[C@@H](CC2=O)[C@@H]31 14617079 ADDWUEDYAWOVOO-WJGMRIAGSA-N 402.402 4.380 10 1 HICF biogenic C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCOCC3)c(F)c2)N1 587723969 CVFDWUDYJQAXEY-YUNKPMOVSA-N 423.301 4.188 10 1 HICF COc1cc2c3c(c1)O[C@H](c1cc(C)n(-c4ccc(C(=O)O)cc4)c1C)[C@@H](C2)C3=O 587429788 CWOKEQAZMRVYPA-WMZHIEFXSA-N 403.434 4.290 10 1 HICF O=C(O)c1ccc(C[C@@H]2SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 40379305 BJMYWSXCMNXLSL-AWEZNQCLSA-N 411.426 4.380 10 1 HICF COC(=O)c1ccc(-n2c(C)cc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2C)cc1 587429867 DKMXTKAVKGWOGU-YKSBVNFPSA-N 417.461 4.378 10 1 HICF CCNC(=O)[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OC4CC4)cc3C)C2)cc1 1772635693 OLWHYERVQQTUMT-FDDCHVKYSA-N 408.542 4.434 10 1 HICF COc1cc(O)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 587808831 QVKGXFHHCJHTBO-DGIBIBHMSA-N 410.283 4.109 10 1 HICF CC1(C)CN[C@H](c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c2c1ccc1c2OCO1 963391303 SISOAFVVUHUSQC-OAQYLSRUSA-N 409.486 4.284 10 1 HICF COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(Cc2ccc(O)c(O)c2)CC1 1857582196 WJKHUZSNGGHVOF-UHFFFAOYSA-N 418.921 4.217 10 1 HICF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/N(C)C)(c2ccccc2O)N1 587739907 IERIXYSMXSNFLA-DIBZGPMMSA-N 405.311 4.147 10 1 HICF COC(=O)c1ccccc1-n1c(C)cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C 587429963 FCEBYCAOUJQVTQ-NTKDMRAZSA-N 417.461 4.378 10 1 HICF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1ccc(O)c(O)c12 587532656 MPQYBQUGTGUINW-SANMLTNESA-N 412.441 4.430 10 1 HICF O=C1NC(=S)S/C1=C\c1csc(-c2ccc(CN3CCCCC3)cc2)n1 1772589003 UBTKADQHVAZBJG-YBEGLDIGSA-N 401.582 4.285 10 1 HICF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)/C(=C/O)C[C@]4(C)[C@H]3CC[C@@]12C 253635801 TXCCBMQDPKCDKY-PYVSHCDASA-N 416.606 4.386 10 1 HICF Cc1nn(-c2ccccc2)c(O)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587758130 PSNYALNTNNJGBM-WLRWDXFRSA-N 416.294 4.412 10 1 HICF COc1cc(/C=C/c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc(O)c1O 587785031 HAXDZQACGXJQKN-NSCUHMNNSA-N 401.291 4.202 10 1 HICF O=S(=O)(Nc1cc(Sc2ncc[nH]2)c(O)c2ccccc12)c1cccs1 84731666 NLEDJQSTADSKAK-UHFFFAOYSA-N 403.510 4.282 10 1 HICF CC(C)c1ccc([C@@]2(c3ccc(O)c(O)c3O)OC(=O)c3ccccc32)cc1[N+](=O)[O-] 103191041 BKFUUTHFUBTQCD-HSZRJFAPSA-N 421.405 4.297 10 1 HICF CCCCOc1ccc([C@@H]2N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c(O)c1 962994757 NUSIAHYSRJHAOH-KXBFYZLASA-N 411.832 4.191 10 1 HICF Nc1ccc(CCNc2ncc(-c3nnc(C4CC4)o3)c(Nc3ccccc3)n2)cc1 40414413 XZJFJRSTHAEXOF-UHFFFAOYSA-N 413.485 4.384 10 1 HICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C2C(=O)c3ccccc3C2=O)N1 587819196 HMBRHZNDGDTLGY-SBKAZYGRSA-N 402.263 4.033 10 1 HICF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C=C(c3ccccc3)Oc3c1ccc(O)c3O)O2 587406222 AIGLGFLYZJYHED-DEOSSOPVSA-N 401.418 4.283 10 1 HICF O=C(NCCOc1ccccc1)[C@@H]1Nc2ccc(OC(F)(F)F)cc2[C@H]2C=CC[C@@H]21 15952433 WDWQAJLFJQFMEO-ABSDTBQOSA-N 418.415 4.234 10 3 HICF N[C@@H](Cc1ccccc1Cl)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587059533 SNPHTDYXUKXKIW-KRWDZBQOSA-N 401.853 4.234 10 1 HICF COc1ccc(N2CCN(CCCC[C@]34CCCc5cccc(c53)NC4=O)CC2)cc1 13473678 WOHIAPZKTUZQDB-SANMLTNESA-N 419.569 4.214 10 1 HICF COc1cc2c3c(c1)O[C@@](C)(c1ccc(O)c(CN4CCCCCC4)c1)[C@@H](C2)C3=O 587443225 LOQLYGIGSKOVCC-CPJSRVTESA-N 407.510 4.440 10 1 HICF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cnoc2)(c2ccccc2O)N1 587795319 NVSNMLVDYGSDGQ-JEOXALJRSA-N 403.251 4.108 10 1 HICF CCCn1c(=O)ccc2c(-c3cnc(-c4ccc(CN(CC)CC)nc4)s3)[nH]nc21 653836242 RYWREJZREPBNEF-UHFFFAOYSA-N 422.558 4.162 10 1 HICF CN(C)c1ccc([C@H]2NC3(CC3)Cc3ccc(Br)cc32)c2nsnc12 961314791 APUBOQZASGPMIF-MRXNPFEDSA-N 415.360 4.288 10 1 HICF CCCn1c(O)c(/N=N/C(=O)CNC(=O)/C=C/c2ccc(OC)cc2)c2ccccc21 101793396 BNSDLRYHFBYHHC-FQXJKCFSSA-N 420.469 4.205 10 1 HICF O=C(O)CCC(=O)Nc1cc(CO)cc(Nc2c3ccccc3nc3ccccc23)c1 26979248 YNISWACPPPLCTA-UHFFFAOYSA-N 415.449 4.427 10 1 HICF Oc1cc2c(c(Cl)c1O)CCCN(C(=S)NCCc1ccc(Cl)cc1)C2 29123582 NPZQOEZEOKHGKM-UHFFFAOYSA-N 411.354 4.270 10 1 HICF CC[C@@]1(c2cccc(C(=O)OC)c2O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587804959 FZDAFYWOSHIMSR-YBTHPKLGSA-N 422.294 4.268 10 1 HICF CCC(C)(C)c1ccc(O)c([C@@]2(C)N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)c1 963218152 CFEBHUAEFJUMDN-PXDATVDWSA-N 404.510 4.490 10 1 HICF O=C1c2ccccc2C(=O)c2c1ccc1nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c21 586912177 AXUAMPHYUBADAS-UHFFFAOYSA-N 424.456 4.140 10 1 HICF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N(C)C)c3nsnc23)N1 587853523 ACFIKLHHEAVLHA-FVMDXXJSSA-N 421.339 4.283 10 1 HICF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc(OCC4CC4)cc3F)C2)cc1 1772590035 HKTHPYQGDOMJRF-AOMKIAJQSA-N 412.505 4.469 10 1 HICF NC[C@H](Cc1ccc(Cl)cc1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587071124 WELXLEVGEXRPDD-AWEZNQCLSA-N 415.880 4.277 10 1 HICF COc1cc2c(cc1OC)[C@@](C)(c1c(O)cccc1Br)N(C)[C@H](C)C2 962572069 POGFRJWKCUGCKA-ODXCJYRJSA-N 406.320 4.312 10 1 HICF COc1cc2c(cc1OC)[C@](C)(c1c(O)cccc1Br)N(C)[C@@H](C)C2 962572060 POGFRJWKCUGCKA-FKIZINRSSA-N 406.320 4.312 10 1 HICF CN(C)c1ccc([C@]2(C)N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)cc1 963180414 NBHRNJIKOMFRRZ-MJGOQNOKSA-N 412.839 4.287 10 1 HICF CN1CCc2c(Br)cccc2[C@@]1(C)c1ccc(N2CCC(O)CC2)cc1 963271568 WHOGYQFHLPLODC-JOCHJYFZSA-N 415.375 4.162 10 1 HICF CC(C)N(C(=O)Oc1ccc(-c2cc(=O)c3c(O)c(O)c(O)cc3o2)cc1)C(C)C 473153679 CDUHALQCNNXEAK-UHFFFAOYSA-N 413.426 4.194 10 1 HICF COc1cc2c3c(c1)O[C@@H](c1cc(C)n(-c4cccc([N+](=O)[O-])c4)c1C)[C@@H](C2)C3=O 587434438 VKVOIPSLAAOMJC-CVDCTZTESA-N 404.422 4.500 10 1 HICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N(C)C)c3nsnc23)N1 587860098 ZVRAYESWKBQBHO-ABKXIKBNSA-N 421.339 4.283 10 1 HICF Cc1cc(C)c(/N=N/C(=C2/NCCN2Cc2ccc(Cl)nc2)[N+](=O)[O-])c(C)c1 103206352 QWFAKRHBOCIJNJ-NVGBRHKGSA-N 400.870 4.253 10 1 HICF CN1CCN(Cc2cc(CN(C)C3(c4ccccc4F)CCCC3)ccc2O)CC1 473108832 ORSYERULUSAXFX-UHFFFAOYSA-N 411.565 4.180 10 1 HICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)cc([N+](=O)[O-])c2O)N1 587701893 YCXGAYZYZHYWKJ-MLXNANBUSA-N 415.646 4.479 10 1 HICF Cc1cc([C@@]2(C(F)(F)F)NCCc3ccc(O)cc32)c(C)n1-c1ccc(N)cc1 963344137 ZDIZNDWYBIXXJA-OAQYLSRUSA-N 401.432 4.334 10 1 HICF COc1cccc(-c2csc(NC(=O)/C=C/c3ccc(N4CCOCC4)cc3)n2)c1 653782623 XWGHRWMWHFWCJE-JXMROGBWSA-N 421.522 4.307 10 1 HICF CCN1c2ncc(CCc3ccc(N)cc3)cc2C(=O)N(C)c2ccc(Cl)nc21 5841349 PNXAPKQDGACYPK-UHFFFAOYSA-N 407.905 4.245 10 1 HICF CC(=O)Nc1ccc(CCN2C(=O)/C(=C3/C(=O)Nc4ccccc43)c3ccccc32)cc1 45354067 WQRWWDUYBLTRBN-WCWDXBQESA-N 423.472 4.097 10 1 HICF Cc1cc(C)nc(SCC(=O)/N=N/c2c(O)[nH]c3ccc(Br)cc23)n1 103961383 JPMJWNYWAIZSBF-QURGRASLSA-N 420.292 4.445 10 1 HICF Cc1ccc(NC(=O)CCCCC[C@H](C)NC[C@@H](O)c2ccc(O)c(O)c2)cc1 27554297 BZEMPNUSTRESHL-HTAPYJJXSA-N 400.519 4.007 10 1 HICF Cc1ccc(C)n1-c1cc(-c2nnc(-c3cccc(C(=O)O)c3)o2)ccc1C(=O)O 220998640 NTSXBJYSOREBKD-UHFFFAOYSA-N 403.394 4.208 10 1 HICF COc1ccc(CNC(=S)SCc2nc(O)c3cc(C)sc3n2)c(OC)c1 1857749018 ONUVMFWFRBVUBL-UHFFFAOYSA-N 421.569 4.030 10 1 HICF O=C(Cn1ccc(C(F)(F)F)n1)/N=N/c1c(O)[nH]c2ccc(Br)cc12 101822941 PFYQOUQXJHPWFD-QZQOTICOSA-N 416.157 4.162 10 1 HICF Cc1ccc(NC(=O)CCCCC[C@@H](C)NC[C@H](O)c2ccc(O)c(O)c2)cc1 27554303 BZEMPNUSTRESHL-VGSWGCGISA-N 400.519 4.007 10 1 HICF CCNC(=O)[C@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OCC)cc3F)C2)cc1 1772626048 PHZOLBAVZCQBND-OXQOHEQNSA-N 400.494 4.122 10 1 HICF CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3c([N+](=O)[O-])cccc23)cc1 26845446 DTZNLUINFZPJGV-UHFFFAOYSA-N 408.439 4.411 10 1 HICF COC(=O)c1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1N(C)C 587739322 AQMNMOPETUFUCP-NSPYISDASA-N 421.310 4.064 10 1 HICF COC(=O)/C=C/c1ccc(O)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587804781 FOTBKAARMOXNID-LPCHXTIJSA-N 420.278 4.104 10 1 HICF COc1ccc2c(c1)/c(=C\c1ccc(N(C)C)cc1)c1cc(-c3ccccc3)[n+](C)n12 13223078 STIVNVUBZPLMCN-UHFFFAOYSA-N 408.525 4.206 10 3 HICF COC(=O)c1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1N(C)C 587739326 AQMNMOPETUFUCP-WYRIXSBYSA-N 421.310 4.064 10 1 HICF O=C(O)CCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 26844040 GJHWLWCXDDTNBJ-UHFFFAOYSA-N 421.478 4.348 10 1 HICF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@@H](c2cc(Cl)c(F)cc2O)N1 962692457 FANBNJIKNSCUTK-ZFWWWQNUSA-N 407.722 4.031 10 1 HICF Cc1cc(O)c([C@H]2c3scnc3C[C@H](C(=O)O)N2C(=O)OC(C)(C)C)c(Cl)c1 963156338 ZYIXQBYGBCXRBY-DOMZBBRYSA-N 424.906 4.146 10 1 HICF COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@H](O)c1ccc(N(C)C)cc1)[C@@H](C2)C3=O 587428178 ICRIMHVDCYEDNQ-RMUDUWAUSA-N 415.489 4.138 10 1 HICF COC(=O)c1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1N(C)C 587739324 AQMNMOPETUFUCP-WLRWDXFRSA-N 421.310 4.064 10 1 HICF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(O)ccc3ccc(=O)oc23)N1 587838052 MHVZVRFGCXFJCT-FVINQWEUSA-N 418.262 4.198 10 1 HICF Cc1cccc(/C=C/C[C@H](O)c2cc(O)c3c(c2O)C(=O)c2ccccc2C3=O)c1 653846626 WHTAHAGTSPRXGW-MEQKGCOVSA-N 400.430 4.319 10 1 HICF Nc1ccc(Oc2ccc3nc(-c4cc([N+](=O)[O-])n(CC(F)(F)F)n4)[nH]c3c2)cc1 587093300 ZQKGBIKMJSJUAW-UHFFFAOYSA-N 418.335 4.271 10 1 HICF O=C(N=Nc1c(O)[nH]c2ccc(Br)cc12)[C@@H]1COc2ccccc2O1 617960072 PGXWDZSOZHITCQ-AWEZNQCLSA-N 402.204 4.086 10 1 HICF CC(C)[C@@H]1c2cc(O)c(O)cc2CCN1C(=S)NCCc1ccc(Cl)cc1 1857608135 AYZVCHRIDYHVNA-HXUWFJFHSA-N 404.963 4.424 10 1 HICF CSc1ccc(-n2c(-c3ccc(S(C)(=O)=O)cc3)cc(CC(=O)O)c2C)cc1 73223024 LOPFCXCNTJKYEJ-UHFFFAOYSA-N 415.536 4.205 10 1 HICF CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@@H]1/N=N\c1ccc(C(N)=O)cc1 102326840 ZDSQSMNNVVZFFK-XDQFEMHDSA-N 418.482 4.092 10 1 HICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/N(C)C)(c2ccc(F)cc2O)N1 587731257 YOBQHHPKRPAXQM-FRGAOCEISA-N 423.301 4.286 10 1 HICF COc1ccc(OC)c(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c1OC 587926627 KDVYEYMJFMFKAM-UHFFFAOYSA-N 414.417 4.031 10 1 HICF CN1C(=O)C[C@@H]2CN[C@@](c3ccccc3)(c3ccc(Cl)cc3O)c3cccc1c32 963018436 FPDXTRBBHYUFKF-MYYSRTQBSA-N 404.897 4.391 10 1 HICF CC(C)(C)OC(=O)NCc1cc(C(C)(C)C)cc(I)c1O 27860106 ADNPSZZKQYULNJ-UHFFFAOYSA-N 405.276 4.319 10 1 HICF CNC[C@@H](O)[C@H](c1cccc(F)c1)N1CCc2cc(OCc3ccccc3)ccc21 45370761 FUVUHZMWHNOAHJ-RPBOFIJWSA-N 406.501 4.089 10 1 HICF COc1cc(O)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587807860 ODVIYKKQHDJXHZ-APBUJDDRSA-N 410.283 4.109 10 1 HICF O=C(Cn1ccc(C(F)(F)F)n1)N=Nc1c(O)[nH]c2ccc(Br)cc12 253961217 PFYQOUQXJHPWFD-UHFFFAOYSA-N 416.157 4.162 10 1 HICF O=C(CCn1nnc2ccccc21)N=Nc1c(O)[nH]c2ccc(Br)cc12 617960124 ZWZWRYIYVGEAIM-UHFFFAOYSA-N 413.235 4.081 10 1 HICF Cc1cc(C)c([C@@]2(C)N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)c(O)c1 962915736 BGLPJMFMYSAYRY-OFVILXPXSA-N 419.477 4.369 10 1 HICF COc1cccc(/C=C/C[C@@H](O)c2cc(O)c3c(c2O)C(=O)c2ccccc2C3=O)c1 653854407 GOCSCPWJTXZDCU-WSSFADSRSA-N 416.429 4.019 10 1 HICF C[C@H](NC(=O)[C@@H]1CCOC1)c1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1 149972022 GUDYYVWSLLHNDB-PGRDOPGGSA-N 420.553 4.293 10 1 HICF CCCOc1cccc2c1C(=O)c1c(OCCC)cc(NC(=O)CN=[N+]=[N-])cc1C2=O 206570539 IHULAANGIJWQQE-UHFFFAOYSA-N 422.441 4.288 10 1 HICF CC[C@]1(c2cccc(C(=O)OC)c2O)N[C@H](C)Cc2ccc(F)c(Br)c21 587804956 FZDAFYWOSHIMSR-BIBXISHDSA-N 422.294 4.268 10 1 HICF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(C2C(=O)c3ccccc3C2=O)N1 587819538 IQMSFLFYRKVKNI-WVDJIFEKSA-N 402.263 4.033 10 1 HICF Oc1c(O)c(Cl)c2c(c1Cl)CCN(C(=S)NCCc1ccc(F)cc1)C2 29131835 LAMHWEMLVMRMPX-UHFFFAOYSA-N 415.317 4.019 10 1 HICF N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587175953 YOYVNBJFSNWDKM-SFHVURJKSA-N 424.435 4.201 10 1 HICF CCn1c2c(c3cc(C(=O)NCc4ccc(S(=O)(=O)CC)cc4)ccc31)CCCC2 1857753850 OZRUZEKBOOHZQZ-UHFFFAOYSA-N 424.566 4.264 10 1 HICF O=C(Nc1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1)c1ccccc1Cl 28765761 LUYUCZWTKKXCGN-UHFFFAOYSA-N 413.949 4.490 10 1 HICF CNc1cc(NC(=O)OC)ccc1Nc1c2ccccc2nc2c(C(N)=O)cccc12 29339163 MHPCRWACMZNLET-UHFFFAOYSA-N 415.453 4.451 10 1 HICF COc1cc2c3c(c1)O[C@@H](c1cc(C)n(-c4ccc(C(=O)O)cc4)c1C)[C@@H](C2)C3=O 587429784 CWOKEQAZMRVYPA-CVDCTZTESA-N 403.434 4.290 10 1 HICF O=C1c2ccccc2C(=O)c2c(O)c([C@H](O)C/C=C/c3ccc(F)cc3)cc(O)c21 653849055 DBOCLUDNCQUKCD-OAJJDEHYSA-N 404.393 4.149 10 1 HICF Oc1c(I)cccc1[C@@H]1c2c(F)cccc2C[C@H]2CCCN21 963099672 JTMQJBKSEAPSFV-SJKOYZFVSA-N 409.242 4.246 10 1 HICF CC(=O)Nc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587739512 ADRHBACJTDDKOK-GIGQVBGESA-N 407.283 4.050 10 1 HICF Nc1c(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cnc2c(F)cccc12 587176950 WXSVKIZUGUTPBK-UHFFFAOYSA-N 408.392 4.275 10 1 HICF COC(=O)c1cccc(-n2c(C)cc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2C)c1 587432021 SXVFYNUEPDCILC-YKSBVNFPSA-N 417.461 4.378 10 1 HICF CCOC(=O)CC[C@]1(c2ccc(N(C)C)cc2)c2ccc(F)cc2C[C@@H]2CCCN21 963108253 LDANOMBTCBYKNJ-DHLKQENFSA-N 410.533 4.499 10 1 HICF COc1cc(CCNCCc2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 653849267 FNDYKBLJPFQMEN-UHFFFAOYSA-N 421.537 4.493 10 1 HICF Oc1[nH]c2ccccc2c1/N=N\c1nc(Nc2ccccc2)nc(N2CCOCC2)n1 96903728 CWVFEUWFGRDDFV-DQSJHHFOSA-N 416.445 4.054 10 1 HICF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@H]3CC[C@@H]4N(C)C(=O)/C(=C/O)C[C@@]4(C)[C@@H]3CC[C@]12C 169309150 TXCCBMQDPKCDKY-SRMLIHTCSA-N 416.606 4.386 10 1 HICF COc1cc(O)c([C@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)cc1OC 962646437 UOQHJVFEYRWSFN-FQRUVTKNSA-N 416.521 4.246 10 1 HICF COc1cc(OCc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)ccc1[N+](=O)[O-] 587262472 ADIPRMVUGPCVBG-UHFFFAOYSA-N 406.398 4.433 10 1 HICF CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2cc[nH]n2)cc1 113624139 RQXYQJPSWSQVJE-UHFFFAOYSA-N 417.918 4.392 10 1 HICF CC[C@@]1(c2cc([N+](=O)[O-])ccc2O)N[C@H](C)Cc2ccc(F)c(Br)c21 587745203 GUPCSSNGFFPGRD-MGNBDDOMSA-N 409.255 4.390 10 1 HICF c1nc(NCC2CC2)c2nc(-c3ccc(N4CCCC4)cc3)n(C[C@@H]3CCCO3)c2n1 82221767 BNDFPBAQWWDBKO-FQEVSTJZSA-N 418.545 4.094 10 1 HICF CCNC(=O)[C@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OC4CC4)cc3C)C2)cc1 1772635694 OLWHYERVQQTUMT-WZONZLPQSA-N 408.542 4.434 10 1 HICF O=C(NCCOc1ccccc1)[C@@H]1Nc2ccc(OC(F)(F)F)cc2[C@@H]2C=CC[C@@H]12 103754632 WDWQAJLFJQFMEO-MBOZVWFJSA-N 418.415 4.234 10 3 HICF O=C(NCCc1ccc(O)c(O)c1)c1ccc(O)c(C23CC4CC(CC(C4)C2)C3)c1 103234427 GBULPMULSUQYGY-UHFFFAOYSA-N 407.510 4.244 10 1 HICF CCOc1ccc(N2CC[C@]3(C2)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)cc1 587584170 WZQXZHBROKLHLR-RCZVLFRGSA-N 417.461 4.402 10 1 HICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCOCC3)cc2F)N1 587726648 YQPXIFMYPFRXJB-ODXCJYRJSA-N 423.301 4.188 10 1 HICF CC(C)(C)c1ccc(O)c([C@H]2N[C@@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)c1 962647720 YGTGDNSOPFTNAY-RDTXWAMCSA-N 409.404 4.277 10 1 HICF COc1cccc(-c2ccc(O)c(CN(C)CCc3ccc(OC)c(OC)c3)c2)n1 12242807 IXBZWKCMEKSGDW-UHFFFAOYSA-N 408.498 4.155 10 1 HICF CC(C)N(C)c1ncccc1-c1ccc2c3[nH]ncc3c(=O)n(CC(F)(F)F)c2c1 220119831 WJLGGSYKNRHPNY-UHFFFAOYSA-N 415.419 4.347 10 1 HICF CCCN(CCN1CCN(CCc2c[nH]c3ccccc23)CC1)c1ccc(OC)cc1 473135787 KYSNHZPEWJTUAP-UHFFFAOYSA-N 420.601 4.253 10 1 HICF O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(OCc3ccc(F)cc3)c12 169352829 FYTSIRGWQSJONU-UHFFFAOYSA-N 410.353 4.001 10 1 HICF CCOC(=O)CSc1cc(NS(=O)(=O)c2cccs2)c2ccccc2c1O 84669934 PQPOZWQWXMRNJI-UHFFFAOYSA-N 423.537 4.063 10 1 HICF COc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1OC 587809956 VVLGSMLXEOVTLR-APBUJDDRSA-N 410.283 4.109 10 1 HICF CN(C)c1ccc(CNc2nc3cc(-c4ccc(F)cc4)sc3c(=O)n2C)cc1 61903021 JVIZMKMQVKJBIP-UHFFFAOYSA-N 408.502 4.479 10 3 HICF O=C(O)c1cc2cc(O)c(O)cc2c([C@@H](O)c2ccc(Oc3ccccc3)cc2)n1 13490154 PDAXRDHWWKGDAJ-QFIPXVFZSA-N 403.390 4.218 10 1 HICF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3c4c(ccc3[nH]2)C(=O)c2ccccc2C4=O)cc1 587785809 OXCLBZNQQLNUDO-RTBURBONSA-N 422.440 4.282 10 1 HICF CCn1ccc(-c2cnc(C)nc2OC[C@H]2C[C@@H]2c2ccc3ccccc3n2)cc1=O 209430255 YPXNJDHFURLDSY-UXHICEINSA-N 412.493 4.364 10 1 HICF Oc1nc(CSC(=S)NCc2ccc(C(F)(F)F)nc2)nc2ccccc12 653698613 KXEYIKVSKNDXEF-UHFFFAOYSA-N 410.446 4.057 10 1 HICF Cc1cc(O)c([C@@H]2c3scnc3C[C@H](C(=O)O)N2C(=O)OC(C)(C)C)c(Cl)c1 963156339 ZYIXQBYGBCXRBY-IUODEOHRSA-N 424.906 4.146 10 1 HICF COc1cc2c3c(c1)O[C@H](c1cc(C)n(-c4cccc([N+](=O)[O-])c4)c1C)[C@@H](C2)C3=O 587434439 VKVOIPSLAAOMJC-WMZHIEFXSA-N 404.422 4.500 10 1 HICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N(C)C)cc2[N+](=O)[O-])N1 587746423 JVTYJCLBSOGHQP-MLCYQJTMSA-N 408.271 4.186 10 1 HICF CC[C@H](C)c1cc(C)c2c(c1O)[C@@H](NC(=O)CN1CCN(c3ccccc3)CC1)CC2 84462460 KIGCTNWRJMWONE-MBSDFSHPSA-N 421.585 4.140 10 1 HICF CCOC(=O)c1ccc(O)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587800428 WZBQEPBTFBJNJE-MGNBDDOMSA-N 408.267 4.094 10 1 HICF CC(=O)Nc1ccc(O)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587746163 YNOMPQNFTXUZHC-APBUJDDRSA-N 407.283 4.050 10 1 HICF Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCc1cc3c(O)nc(O)nc3nc1-2 587368013 GEIGHAXTVUAJLL-UHFFFAOYSA-N 412.371 4.320 10 1 HICF Oc1c(CN2CCCC2)cc(Nc2nncc3ccccc23)cc1CN1CCCC1 1485858 VXRKQOYKRKTSSM-UHFFFAOYSA-N 403.530 4.271 10 1 HICF Cn1cnnc1SCc1ccc(C(=O)N=Nc2c(O)n(C)c3ccccc23)cc1 299813305 NLPLBLIQSZZOSP-UHFFFAOYSA-N 406.471 4.229 10 1 HICF Cc1[nH]c(N=Nc2cccc(C(=O)O)c2)c(C)c1-c1ccc2c(O)nc(O)nc2n1 587555103 NGZFQVFTIVGCRB-UHFFFAOYSA-N 404.386 4.162 10 1 HICF CN1C(=O)C[C@H]2CN[C@]3(C=C(c4ccccc4)Oc4cccc(O)c43)c3cccc1c32 963024808 LZRUKMUMITWNJY-MRDQGFSESA-N 410.473 4.123 10 1 HICF CCCCOc1c(OC)c(OC)cc2c1C(=O)c1c-2nc2ccccc2c1C(=O)OC 95591352 OZAWVCBPZASMCZ-UHFFFAOYSA-N 421.449 4.429 10 1 HICF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCOCC3)cc2F)N1 587724267 GMWZTDOZKHDZFF-YUNKPMOVSA-N 423.301 4.188 10 1 HICF CCC[C@@]1(c2cc(O)c(O)cc2O)N[C@H](C)Cc2cc(Br)c(F)cc21 587821099 GQGWJDOKMFQPMQ-GIGQVBGESA-N 410.283 4.283 10 1 HICF CN1Cn2c3c(c4cc(Br)ccc42)CCN(C)[C@@H]3[C@H]1Cc1ccccc1 2356418270 DJAYVOJDCFDUFD-IFMALSPDSA-N 410.359 4.447 10 1 HICF Cc1ccc2c(c1)[C@@]1(NCCc3cc(Cl)ccc31)C(=O)[C@@H](c1ccc(O)c(O)c1)O2 963390588 LAPZBEPPPGXFFZ-ISKFKSNPSA-N 421.880 4.152 10 1 HICF O=C(CNC(=O)c1ccco1)/N=N/c1c(O)n(CCc2ccccc2)c2ccccc12 96901860 DUYSUIPBLBHRDR-OCEACIFDSA-N 416.437 4.223 10 1 HICF Cc1cc2oc(=O)cc(CN=[N+]=[N-])c2cc1S(=O)(=O)Nc1cccc(Cl)c1 49034767 JICPLULCDAVMLX-UHFFFAOYSA-N 404.835 4.366 10 1 HICF COc1ccc(OC)c(-c2cc3c(c(/C=C/N(C)C)n2)C(=O)c2ccccc2C3=O)c1 96934763 ABTVJKJQEWMPJB-VAWYXSNFSA-N 414.461 4.074 10 1 HICF C[C@H](Cc1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1)NC(=O)[C@@H](C)F 149636938 ATOSVDCKFBIOHZ-QZTJIDSGSA-N 410.533 4.484 10 1 HICF O=C1c2ccc(F)cc2C(=O)c2c1nnn2-c1cc(F)c(-c2ccccc2F)c(F)c1 1911582743 UHGWEIARFNVLRF-UHFFFAOYSA-N 423.325 4.266 10 1 HICF Cc1cc(N2CCOCC2)ccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587598702 YFUAEAUWQJFSFE-RCZVLFRGSA-N 417.461 4.240 10 1 HICF CC[C@@]1(c2cc(O)ccc2O)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963190091 WLUZAGDVZWXBEJ-UGSOOPFHSA-N 415.795 4.023 10 1 HICF COc1ccc(C(=O)CN2C(=O)/C(=C\c3ccc(Cl)cc3)SC2=S)cc1 1857617662 ZXNMPNKTUVOTPV-LICLKQGHSA-N 403.912 4.433 10 1 HICF Cc1cc(O)c2c(c1)C(=O)c1c(c(O)c(-c3cccnc3)c(O)c1-c1cccnc1)C2=O 1772655131 ICVMZOFZOQGHMT-UHFFFAOYSA-N 424.412 4.011 10 1 HICF Oc1cc2c(c(Br)c1O)CCNC[C@H]2c1cccc(C(F)(F)F)c1 89464585 JXTPLVZCJWMJQJ-ZDUSSCGKSA-N 402.210 4.157 10 1 HICF CN1C(=O)C[C@H]2CN[C@](c3ccccc3)(c3ccc(Cl)cc3O)c3cccc1c32 963018432 FPDXTRBBHYUFKF-IZHWHUGBSA-N 404.897 4.391 10 1 HICF Cc1ccc2c(c1)[C@]1(NCCc3cc(Cl)ccc31)C(=O)[C@@H](c1ccc(O)c(O)c1)O2 963390591 LAPZBEPPPGXFFZ-VWNXMTODSA-N 421.880 4.152 10 1 HICF COc1ccccc1[C@@H]1NC(c2ccc3c(c2)OCO3)=C[C@H](c2ccccc2O)N1 2934384 JBSBGVKKPACTTE-NTKDMRAZSA-N 402.450 4.103 10 1 HICF Cc1cc(C(=O)O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(-n2ccnc2)cc1 84605182 UDAJYEQFBMVRGE-UHFFFAOYSA-N 415.449 4.354 10 1 HICF C[C@@H]1CCc2c(sc3ncn(CC(=O)N=Nc4c(O)[nH]c5ccccc45)c(=O)c23)C1 253994886 FDXCBMAWQBWMPV-LLVKDONJSA-N 421.482 4.080 10 1 HICF O=C(CCc1ccc(O)c(O)c1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657137 WKFDUJNZUSFJQD-UHFFFAOYSA-N 422.387 4.026 10 1 HICF Oc1ccccc1[C@]1(c2cnoc2)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962643164 PTKHYFRLIVONSM-KCWPFWIISA-N 423.516 4.419 10 1 HICF COC(=O)c1cccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@H]43)[nH]c12 587275383 CYJRXDVFRBDBAI-LRDNONRASA-N 404.426 4.393 10 1 HICF COc1cc2c3c(c1)OC1(CCN(c4ccc(OC(F)(F)F)cc4)CC1)[C@@H](C2)C3=O 587418630 AFIVWGPKGHSXMT-KRWDZBQOSA-N 419.399 4.380 10 1 HICF Cc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)-c3ccccc3C4)C(=O)NC2=S)cc1 1857608941 GEWCRRMWVWRZDJ-XKZIYDEJSA-N 410.498 4.398 10 1 HICF CCCNS(=O)(=O)c1ccc(Nc2c3ccccc3nc3cc(N)ccc23)cc1 26935599 LPQRMFWKQCJZRM-UHFFFAOYSA-N 406.511 4.402 10 1 HICF O=C(C[C@@H]1SC(/N=N/c2c(O)[nH]c3ccccc23)=NC1=O)Nc1ccc(F)cc1 100703214 OARVBHLDFZJANM-OWSVEQCWSA-N 411.418 4.123 10 1 HICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCOCC3)cc2)N1 587773564 KBKADUPTSWBZGH-XCLFUZPHSA-N 405.311 4.048 10 1 HICF CCc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c([N+](=O)[O-])c1 587743784 FKBTXBMTPXQWDH-VVVCHXIZSA-N 409.255 4.388 10 1 HICF CCCCC[C@H](OC)c1c(O)cc2c(c1O)C(=O)c1c(cc(O)c(Cl)c1O)C2=O 84689974 KGTDNRSYXXWABH-ZDUSSCGKSA-N 420.845 4.206 10 1 HICF Cc1cc(C)cc(OC[C@]2(c3ccc(O)cc3O)NCCc3c2c(C(C)C)nn3C)c1 962922055 VJJHDUGRGKJVAU-RUZDIDTESA-N 421.541 4.040 10 1 HICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cnoc2)(c2ccccc2O)N1 587790950 DEDXODUGTLOWOR-NSPYISDASA-N 403.251 4.108 10 1 HICF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OCC4CC4)cc3)C2)cc1F 1772588915 QXNUULRNVCMWAG-KSFYIVLOSA-N 412.505 4.469 10 1 HICF COc1cccc2c1C(=O)c1c(OC)cc(C[N+](C)(C)c3ccccc3)cc1C2=O 95587106 IEFHTNMEDDBADK-UHFFFAOYSA-N 402.470 4.246 10 1 HICF CN(C)CC/N=N/Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 13527514 UWEUAESWKIVNSU-UHFFFAOYSA-N 414.311 4.477 10 1 HICF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)cc([N+](=O)[O-])c2O)N1 587701896 YCXGAYZYZHYWKJ-NZFNHWASSA-N 415.646 4.479 10 1 HICF Oc1[nH]c2ccccc2c1/N=N/c1nc(Nc2ccccc2)nc(N2CCOCC2)n1 96903729 CWVFEUWFGRDDFV-BYYHNAKLSA-N 416.445 4.054 10 1 HICF O=C(O)CCN1C(=O)/C(=C/c2cc3cc(Cl)ccc3nc2Cl)SC1=S 1772632328 DQDIGPSFZBAAOH-GHXNOFRVSA-N 413.307 4.218 10 1 HICF CC[C@](C)(O)c1cc2c(C)cc3c(c2oc1=O)C(=O)c1c(OC(C)C)cccc1C3=O 473081764 DBIVOJHCAZGRQR-VWLOTQADSA-N 420.461 4.282 10 1 HICF COc1cc2c3c(c1)O[C@H](c1cc(C)n(-c4ccc5c(c4)OCCO5)c1C)[C@@H](C2)C3=O 587431638 PSHVJUDEPDOEHU-UQBPGWFLSA-N 417.461 4.363 10 1 HICF Cc1ccc(O)c([C@@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587821628 JAAZHANWOSGULS-FKIZINRSSA-N 422.294 4.245 10 1 HICF CN(CCO)c1ccc(-c2nc3c(C(F)(F)F)c(Br)ccc3[nH]2)cc1 587192948 MDFBETNIVRATEK-UHFFFAOYSA-N 414.225 4.440 10 1 HICF COC(=O)c1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1N(C)C 587739318 AQMNMOPETUFUCP-JEOXALJRSA-N 421.310 4.064 10 1 HICF O=C(Cc1ccc(Cl)c(Cl)c1)N1CCc2cccc(O)c2[C@@H]1CN1CCCC1 26817516 JKHTXFZUBXVUAC-IBGZPJMESA-N 419.352 4.463 10 1 HICF CC(C)(C)c1ccc(O)c([C@@H]2N[C@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)c1 962647718 YGTGDNSOPFTNAY-KSSFIOAISA-N 409.404 4.277 10 1 HICF COc1cc(N(C)C)ccc1/C=c1/c2ccccc2n2c1cc(-c1ccccc1)[n+]2C 5582525 TUJQGUUEWCJHJR-UHFFFAOYSA-N 408.525 4.206 10 3 HICF COc1ccc2[nH]cc(CCCCN3CCN(c4ccc(OC)c(OC)c4)CC3)c2c1 13582401 RMQSZNRXFGKRBN-UHFFFAOYSA-N 423.557 4.339 10 1 HICF COc1ccc2[nH]cc(CCCCN3CCN(c4ccc5c(c4)CCO5)CC3)c2c1 13582399 FBORTSDQSNZPLD-UHFFFAOYSA-N 405.542 4.256 10 1 HICF O=C(N=Nc1c(O)[nH]c2ccc(Br)cc12)[C@H]1COc2ccccc2O1 617960073 PGXWDZSOZHITCQ-CQSZACIVSA-N 402.204 4.086 10 1 HICF COc1cccc2c1ccc1nc3cccc(C(=O)N[C@@H](CN(C)C)C(C)C)c3nc12 27845712 YBRXLVGXIZWTFX-NRFANRHFSA-N 416.525 4.261 10 1 HICF Nc1ccc(Oc2ccc3nc(Cc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])[nH]c3c2)cc1 587263943 ILLXQNZUHVWLNU-UHFFFAOYSA-N 405.370 4.345 10 1 HICF O=C(CNC(=O)C(c1ccccc1)c1ccccc1)/N=N/c1c(O)[nH]c2ccccc12 103969398 PSCAACXSOVXARJ-BYYHNAKLSA-N 412.449 4.432 10 1 HICF CC(C)c1cc([C@@]2(C)c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)c(O)cc1O 962636767 JRZDGZPYTLIRQH-JWQCQUIFSA-N 420.509 4.132 10 1 HICF COc1ccc(C2CCN(C(=O)c3cc4c(o3)C(=O)c3ccccc3C4=O)CC2)cc1 1857556462 YTRBHEIFEPOTJA-UHFFFAOYSA-N 415.445 4.083 10 1 HICF O=[N+]([O-])C(/N=N/c1ccc(F)c(Cl)c1)=C1\NCCN1Cc1ccc(Cl)nc1 103215538 BNNBNDMEPDRHDW-ALFBEORRSA-N 411.224 4.120 10 1 HICF C[C@H](Oc1ccccc1)C(=O)NCc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587223783 GCDBRXGWEZGQFS-HNNXBMFYSA-N 402.454 4.021 10 1 HICF CN1CCc2c3n(c4cc(Br)ccc24)CN(C)[C@H](Cc2ccccc2)[C@@H]31 2356565306 VMQMWTAVKZBXAC-IRLDBZIGSA-N 410.359 4.447 10 1 HICF O=c1cc(-c2cnc3c(-c4ccccc4)cnn3c2)ccn1CCCN1CCCCC1 589353 VSTRRFWOIASKIN-UHFFFAOYSA-N 413.525 4.101 10 1 HICF Cc1cc([N+](=O)[O-])c(O)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587743957 FUEMMOADCWEANW-MGNBDDOMSA-N 409.255 4.308 10 1 HICF COc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1OC 587804543 BRSJHQCCZLEPCG-OVWNDWIMSA-N 410.283 4.109 10 1 HICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCC(O)CC3)cc2)N1 587766257 GIMKNCVSAWRCHC-LRTDBIEQSA-N 419.338 4.173 10 1 HICF CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)CC(F)(F)F)cc3)C2)cc1 142282159 BHEOCTQKGHPHOS-HNNXBMFYSA-N 422.447 4.483 10 1 HICF CN(C)c1ccc([C@@]2(C(F)(F)F)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1 962704892 DRLJUKKBJDXNBF-SJLPKXTDSA-N 416.365 4.204 10 1 HICF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCOCC3)cc2F)N1 587726646 YQPXIFMYPFRXJB-FKIZINRSSA-N 423.301 4.188 10 1 HICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/N(C)C)(c2ccccc2O)N1 587741502 NSGBOXNWUQESHN-ZQFKXBEFSA-N 405.311 4.147 10 1 HICF Cc1ccc(-n2c(C)cc(C(=O)COc3c(CO)cc(F)cc3CO)c2C)cc1C 3376983 NQOALKLMEGSGLC-UHFFFAOYSA-N 411.473 4.096 10 3 HICF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)/C(=C/O)C[C@]4(C)[C@@H]3CC[C@@]12C 253635797 TXCCBMQDPKCDKY-KTXFKIFTSA-N 416.606 4.386 10 1 HICF O=C(O)c1ccc(/C=C2\C(=O)N(c3cccc([N+](=O)[O-])c3)N=C2c2ccccc2)cc1 64448414 YZVRXPHVOKGNEW-MOSHPQCFSA-N 413.389 4.128 10 1 HICF COc1ccc(N2CC[C@]3(C2)N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1 587769283 ODJAQDKPUJNEKP-RNODOKPDSA-N 405.311 4.237 10 1 HICF COc1cc(O)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 587808833 QVKGXFHHCJHTBO-OVWNDWIMSA-N 410.283 4.109 10 1 HICF CN1CCc2c(Br)cccc2[C@]1(C)c1ccc(N2CCC(O)CC2)cc1 963271569 WHOGYQFHLPLODC-QFIPXVFZSA-N 415.375 4.162 10 1 HICF COc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc(C(=O)O)c1O 87722324 GYDNWGYIXNXBMW-AUWJEWJLSA-N 421.883 4.158 10 1 HICF COC(=O)/C=C/c1ccc(O)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587804779 FOTBKAARMOXNID-DOBVBZPTSA-N 420.278 4.104 10 1 HICF COc1ccc(Cl)c2c1CCN[C@]21c2ccccc2C(=O)C(=O)[C@H]1CC=C(C)C 963270440 PAZDQRMYVOJOJR-KOSHJBKYSA-N 409.913 4.476 10 1 HICF CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)C4CC4)cc3)C2)cc1OCC 169694401 CCRWLPHGIXSQBL-KRWDZBQOSA-N 424.541 4.339 10 1 HICF COc1cc2c3c(c1)O[C@@H](c1cc(C)n(-c4ccc5c(c4)OCO5)c1C)[C@@H](C2)C3=O 587429704 CMLYAMMWBRGWDI-UUOWRZLLSA-N 403.434 4.320 10 1 HICF CCc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c([N+](=O)[O-])c1 587747852 SMHBBPNFHKQFBI-VVVCHXIZSA-N 409.255 4.388 10 1 HICF Oc1c(I)cccc1[C@H]1c2c(F)cccc2C[C@H]2CCCN12 963099661 JTMQJBKSEAPSFV-PXAZEXFGSA-N 409.242 4.246 10 1 HICF O=C1c2ccccc2[C@]2(c3c(F)cccc3C[C@H]3CCCN32)c2c(O)ccc(O)c21 963097853 IBUSRZJDAYDSQT-BZQUYTCOSA-N 401.437 4.094 10 1 HICF O=C(OCc1ccccc1)N1CC[C@H](Nc2nc(-c3ccc(O)c(O)c3)cs2)C1 1772601713 UKZGVQYZVDVLRT-INIZCTEOSA-N 411.483 4.044 10 1 HICF CC(C)(C)C(=O)Oc1cccc2c1C(=O)c1cccc(OC(=O)C(C)(C)C)c1C2=O 13558879 FEPPCCZQSBRIRJ-UHFFFAOYSA-N 408.450 4.365 10 1 HICF Cc1ccc(NC(=O)CCCCC[C@H](C)NC[C@H](O)c2ccc(O)c(O)c2)cc1 27554301 BZEMPNUSTRESHL-JTSKRJEESA-N 400.519 4.007 10 1 HICF COC(=O)/C=C/c1ccc(O)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587804782 FOTBKAARMOXNID-UUDYMWDJSA-N 420.278 4.104 10 1 HICF COc1ccccc1OCC(=O)N=Nc1c(O)[nH]c2c(Br)cccc12 617960096 CYYSEDNJLJYVHL-UHFFFAOYSA-N 404.220 4.334 10 1 HICF O=C(C[C@H]1SC(/N=N/c2c(O)[nH]c3ccccc23)=NC1=O)Nc1ccc(F)cc1 100703216 OARVBHLDFZJANM-INRROWENSA-N 411.418 4.123 10 1 HICF Cc1cc(O)n2nc(Nc3ccccc3)c(C(=O)Nc3nc4ccccc4s3)c2n1 101677549 VDHQOBMTUQTYPX-UHFFFAOYSA-N 416.466 4.349 10 1 HICF CC(C)CN([C@@H](C)c1ccc(N2CCOCC2)cc1)S(=O)(=O)Cc1ccccc1 224303996 PHOIGTLXLJYMLE-FQEVSTJZSA-N 416.587 4.072 10 1 HICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)Oc3cc(O)cc(O)c32)N1 587834755 SOQJSVLWZGNGNC-CFMSYZGJSA-N 422.294 4.338 10 1 HICF O=C(CCc1ccc(O)c2oc(-c3ccc(O)c(O)c3)cc12)Nc1ccc(O)cc1 1857656682 IYSDBEJBFROCFM-UHFFFAOYSA-N 405.406 4.494 10 1 HICF COC(=O)c1ccc(-n2c(C)cc(C(=O)COc3ccc(OC(C)=O)cc3)c2C)cc1 208400957 GGXSBLZHGCKJOF-UHFFFAOYSA-N 421.449 4.068 10 1 HICF CN1CCN(c2ccc(/C=C3/SC(Nc4ccccc4Cl)=NC3=O)cc2)CC1 299868655 SAYOHENSOVBPHR-XMHGGMMESA-N 412.946 4.174 10 1 HICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(O)ccc([N+](=O)[O-])c2Cl)N1 587691915 FANHTIMJMPGVSQ-VGDKGRGNSA-N 415.646 4.479 10 1 HICF Cc1cc2oc(=O)cc(CN=[N+]=[N-])c2cc1S(=O)(=O)Nc1ccc(Cl)cc1 49034787 SYQKAXCBQNZZJZ-UHFFFAOYSA-N 404.835 4.366 10 1 HICF CC(=O)Nc1ccc(O)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587746482 ZXAPMNHDCULZFM-APBUJDDRSA-N 407.283 4.050 10 1 HICF COC(=O)c1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1N(C)C 587757474 UZQJUTXQHBIMIG-WYRIXSBYSA-N 421.310 4.064 10 1 HICF COc1ccc(C(=O)CN2C(=O)/C(=C\c3cccc(Cl)c3)SC2=S)cc1 1857611959 JYLYRAOVLFWTMQ-LICLKQGHSA-N 403.912 4.433 10 1 HICF O=C(/N=N/c1c(O)[nH]c2ccc(Br)cc12)[C@@H]1COc2ccccc2O1 103960893 PGXWDZSOZHITCQ-PXKHIBQASA-N 402.204 4.086 10 1 HICF CC(=O)Nc1ccc(O)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587746165 YNOMPQNFTXUZHC-GIGQVBGESA-N 407.283 4.050 10 1 HICF COc1ccccc1NC[C@H](O)COc1ccc2c(c1)OC1(CCCCC1)CC2=O 95588441 KHJKXACNNPUWHL-KRWDZBQOSA-N 411.498 4.215 10 1 HICF COc1cc(OC2CCC2)ccc1N1CC(Oc2ccc([C@H](C)NC(C)=O)cc2)C1 142179272 NLJSITOYFFCMMK-INIZCTEOSA-N 410.514 4.091 10 1 HICF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)cc([N+](=O)[O-])c2O)N1 587693521 DIYRVSMYYQRNIQ-ZIDLFYJRSA-N 415.646 4.479 10 1 HICF O=C1C[C@@](c2ccc(O)cc2)(c2ccc(O)c(O)c2O)Oc2c1ccc1c2CCCC1 587531415 FSEUUMSPSXSVPM-RUZDIDTESA-N 418.445 4.297 10 1 HICF O=[N+]([O-])c1cccc2c1ccn2Cc1cc(CN2CCCC2)c(O)c2ncccc12 1857645800 VIUSDIPORBFBFF-UHFFFAOYSA-N 402.454 4.447 10 1 HICF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(O)ccc([N+](=O)[O-])c2Cl)N1 587691912 FANHTIMJMPGVSQ-HYORBCNSSA-N 415.646 4.479 10 1 HICF CCSC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S 66252439 PMTHWVOGJJQAIP-KQDRGBMMSA-N 422.380 4.401 10 1 HICF CCC[C@]1(c2cc(O)c(O)cc2O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587821100 GQGWJDOKMFQPMQ-OVWNDWIMSA-N 410.283 4.283 10 1 HICF Cc1cc(/N=N/c2ccc(S(=O)(=O)Nc3ccc(C(N)=O)cc3)cc2)cc(C)c1O 103279613 VNVJHLJKSREUHH-WCWDXBQESA-N 424.482 4.324 10 1 HICF COc1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccc(N)cc3nc12 26851772 TXTJLVVWTIJKSU-UHFFFAOYSA-N 408.483 4.094 10 1 HICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCOCC3)cc2)N1 587770130 CFNZMURGPFCCKT-ZUOKHONESA-N 405.311 4.048 10 1 HICF CN(C)Cc1cc([C@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)ccc1O 962644384 QWWWWTLVVVDHJV-IGKIAQTJSA-N 413.565 4.290 10 1 HICF COc1cc(O)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587809915 VSDXSUDAOYUDNA-OVWNDWIMSA-N 410.283 4.109 10 1 HICF O=C1c2ccccc2C(=O)c2c(O)c([C@@H](O)C/C=C/c3cccc(F)c3)cc(O)c21 653849062 FRYXIWSSUYBMPD-JXTAAOLFSA-N 404.393 4.149 10 1 HICF OC1=NC(=S)S/C1=C\c1cc(N2CCOCC2)ccc1OCc1ccccc1 28390934 JFPQSLZZBYYUMI-UYRXBGFRSA-N 412.536 4.431 10 1 HICF N[C@H](Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)c1ccccc1Cl 587059030 LEOXTTZKSRVEIF-QGZVFWFLSA-N 401.853 4.234 10 1 HICF COc1cc2c(cc1OC)[C@](C)(c1c(O)cccc1Br)N(C)[C@H](C)C2 962572066 POGFRJWKCUGCKA-MPBGBICISA-N 406.320 4.312 10 1 HICF CN1c2ccccc2[C@]23CCN(S(=O)(=O)C(F)(F)F)C2=Cc2ccccc2[C@H]13 206037775 HPJNGABJUZZDFW-RBUKOAKNSA-N 406.429 4.025 10 3 HICF Oc1ccc([C@@H]2CC(c3ccc(O)cc3O)=NN2C(=S)Nc2ccccc2)cc1 29044417 LTMZJAGNMRMHDK-FQEVSTJZSA-N 405.479 4.352 10 1 HICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/N(C)C)(c2ccc(F)cc2O)N1 587731258 YOBQHHPKRPAXQM-PJDUKJKNSA-N 423.301 4.286 10 1 HICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(O)ccc3ccc(=O)oc23)N1 587838056 MHVZVRFGCXFJCT-SBKAZYGRSA-N 418.262 4.198 10 1 HICF COC(=O)c1ccc2[nH]cc(CCCCN3CCN(c4ccc(OC)cc4)CC3)c2c1 13582427 LIPBRTUWGKEQNE-UHFFFAOYSA-N 421.541 4.108 10 1 HICF CCN(CC)CCNC(=O)c1cccc2nc3ccc4c(OC)cccc4c3nc12 27857376 JETYWMWMTYDVQC-UHFFFAOYSA-N 402.498 4.016 10 1 HICF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(F)cc([N+](=O)[O-])c2O)N1 587726930 MOPUVXUHDQOTJZ-QPFGOUBPSA-N 413.218 4.139 10 1 HICF COc1cccc2c1ccc1nc3cccc(C(=O)NC(C)(C)CN(C)C)c3nc12 27854803 NZLQUHDPEIUCFE-UHFFFAOYSA-N 402.498 4.015 10 1 HICF COC(=O)c1c(OC(C)=O)c2ccccc2c2oc3c(c12)C(=O)c1ccccc1C3=O 28569304 NFVLQAQDQVPBQT-UHFFFAOYSA-N 414.369 4.073 10 1 HICF CCOC(=O)Cc1cc(-c2ccc(C)cc2)n(-c2ccc(S(C)(=O)=O)cc2)c1C 28862711 IOSTYVIIFNMVHX-UHFFFAOYSA-N 411.523 4.270 10 1 HICF O=C(NCCOc1ccccc1)[C@@H]1Nc2ccc(OC(F)(F)F)cc2[C@@H]2C=CC[C@H]12 103754639 WDWQAJLFJQFMEO-FUHIMQAGSA-N 418.415 4.234 10 3 HICF CC(=O)OCc1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2ccc(F)cc2)c1C 3814549 UDCKYZWYMWECQC-UHFFFAOYSA-N 401.459 4.058 10 1 HICF CCOC(=O)Cc1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2ccc(F)cc2)c1C 28862669 QOHDGTMKQZCWJH-UHFFFAOYSA-N 415.486 4.101 10 1 HICF CCC[C@@]1(c2cc(O)c(O)cc2O)N[C@H](C)Cc2ccc(F)c(Br)c21 587824356 ZYMDPHUOWYJZMH-DGIBIBHMSA-N 410.283 4.283 10 1 HICF COc1ccc(/C=C/C[C@H](O)c2cc(O)c3c(c2O)C(=O)c2ccccc2C3=O)cc1 653849111 ZDOWULZBUGHTCU-PXPVJAHISA-N 416.429 4.019 10 1 HICF CN(C)CCSc1nnc(COc2ccc3c(-c4ccccc4)cc(=O)oc3c2)o1 1857573170 CDUXWSDXBNTOBR-UHFFFAOYSA-N 423.494 4.076 10 1 HICF CC(=O)N1N=C(c2ccc(-n3c(C)ccc3C)cc2)O[C@@H]1c1ccc(N(C)C)cc1 103191366 KODQUBNTXQORAR-XMMPIXPASA-N 402.498 4.399 10 1 HICF CCCc1c(O)ccc2c1O[C@](c1ccc(O)cc1)(c1ccc(O)c(O)c1O)CC2=O 587489055 MNCHCUMKTWEBSP-XMMPIXPASA-N 422.433 4.076 10 1 HICF CC[C@]1(c2cc(O)ccc2O)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963190088 WLUZAGDVZWXBEJ-SCLBCKFNSA-N 415.795 4.023 10 1 HICF Cc1cccc(C)c1NC(=O)c1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1 26815993 CQEBCBXJVRSFAB-UHFFFAOYSA-N 407.558 4.453 10 1 HICF COc1ccc(CNC2(c3ccccc3F)CCCC2)cc1CN1CCN(C)CC1 473097176 DDBUWAXHABRGAT-UHFFFAOYSA-N 411.565 4.141 10 1 HICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(O)ccc3ccc(=O)oc23)N1 587837537 ILCISYVINVBXQE-CFMSYZGJSA-N 418.262 4.198 10 1 HICF Cc1cc(O)c([C@@H]2c3scnc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)c(Cl)c1 963156340 ZYIXQBYGBCXRBY-SWLSCSKDSA-N 424.906 4.146 10 1 HICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc4c(cc3[nH]1)NC(=O)CC4)[C@@H]1CC=C[C@H]21 587276103 JCVMTZYGBIOCFF-KIMHZCHSSA-N 415.453 4.491 10 1 HICF C[C@]12CC[C@@H]3[C@H](CC[C@@H]4NC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2C(=O)Nc1ccc(N)cc1 26969077 LFESSVFWIJQGLT-GSVKBTKASA-N 407.558 4.121 10 1 HICF CC[C@]1(c2ccc(O)c(O)c2)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962644984 RUCLHGMABKTOPS-GJZUVCINSA-N 400.522 4.498 10 1 HICF CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)C4CC=CC4)cc3)C2)cc1 142282811 CIEXQYVEWHWOJV-SFHVURJKSA-N 406.526 4.496 10 1 HICF CC[C@H](C)Oc1ccc(N2CC(Oc3ccc([C@H](C)NC(C)=O)cc3)C2)c(OC)c1 142322958 FPHCKEQAPPNMKN-IRXDYDNUSA-N 412.530 4.337 10 1 HICF CCOC(=O)CC[C@]1(c2ccc(N(C)C)cc2)c2ccc(F)cc2C[C@H]2CCCN21 963108259 LDANOMBTCBYKNJ-RDGATRHJSA-N 410.533 4.499 10 1 HICF CC(=O)N[C@H](C)c1ccc(O[C@H]2CCN(c3ccc(OCC4CC4)cc3)C2)cc1F 1772588917 QXNUULRNVCMWAG-ZHRRBRCNSA-N 412.505 4.469 10 1 HICF COc1cc(C)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1OC 587807146 LNICYFHDYDJSPH-QGHHPUGFSA-N 410.283 4.243 10 1 HICF S=C(NCc1cccnc1)SCCc1nnc(-c2ccc3ncccc3c2)o1 653706694 IAYRYHBPFMBVNS-UHFFFAOYSA-N 407.524 4.030 10 1 HICF COc1cc(O)c2c(=O)cc(-c3cc(O)c(O)c(Cc4cccc(C)c4)c3)oc2c1 653830256 ZAEPMAHJYQAQMZ-UHFFFAOYSA-N 404.418 4.485 10 1 HICF CN(C)c1ccc([C@@H]2NC3(CC3)Cc3ccc(Br)cc32)c2nsnc12 961314787 APUBOQZASGPMIF-INIZCTEOSA-N 415.360 4.288 10 1 HICF CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N=Nc1c(O)[nH]c2ccccc12 253916135 ZXANFFNPFNDQRN-UHFFFAOYSA-N 417.447 4.228 10 1 HICF aggregator O=C(c1ccc(Cn2c3c(c4cc(F)ccc42)C[S@](=O)CC3)cc1)C(F)(F)F 1857771408 GUVQGQZKZINTQN-MUUNZHRXSA-N 409.404 4.379 10 1 HICF COc1cc(O)c2c(=O)cc(-c3cc(O)c(O)cc3Cc3ccccc3C)oc2c1 653829346 HVZHLLPZORYCLJ-UHFFFAOYSA-N 404.418 4.485 10 1 HICF CCc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c([N+](=O)[O-])c1 587743787 FKBTXBMTPXQWDH-XLFHBGCDSA-N 409.255 4.388 10 1 HICF O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(OCc3ccc(F)cc3)cc(O)c12 169351464 PSRAEAIXEQKJTO-UHFFFAOYSA-N 410.353 4.001 10 1 HICF CCOC(=O)Cn1c(C)c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc21 587432576 WRFUNAXSGIHHPU-OSPHWJPCSA-N 405.450 4.010 10 1 HICF COc1cc2c3c(c1)O[C@@](C)(c1cc(C)n(-c4ccc(C(=O)O)cc4)c1C)[C@@H](C2)C3=O 587432771 ZAQSDTBNEVCDSM-CPJSRVTESA-N 417.461 4.464 10 1 HICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(F)cc([N+](=O)[O-])c2O)N1 587726018 HITIQBMXSMEEJP-RBHXEPJQSA-N 413.218 4.139 10 1 HICF CC[C@@]1(c2cc(O)ccc2O)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963190083 WLUZAGDVZWXBEJ-ACJLOTCBSA-N 415.795 4.023 10 1 HICF CC(C)N(CCOc1cc(O)c2c3c(oc2c1)C(=O)c1ccccc1C3=O)C(C)C 13651672 DAOYDDFHYQNGBU-UHFFFAOYSA-N 407.466 4.411 10 1 HICF C[C@H](CC(=O)N(C)C)c1ccc(OC2CN(c3ccc(OCC4CC4)cc3)C2)cc1 96172865 PEBCNLQAUQDDMF-GOSISDBHSA-N 408.542 4.325 10 1 HICF CCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(N(C)C)c3ccccc23)SC1=S 1772613952 MBFKCIZIDOYGHO-KMTKGMGQSA-N 414.552 4.360 10 1 HICF Cn1cnnc1SCc1ccc(C(=O)/N=N\c2c(O)n(C)c3ccccc23)cc1 6413805 NLPLBLIQSZZOSP-FCQUAONHSA-N 406.471 4.229 10 1 HICF COc1ccc(C2=NN[C@]3(S2)C(=O)N(Cc2ccccc2)c2ccc(C)cc23)cc1 28824770 OYDZMCCYUDYFHU-XMMPIXPASA-N 415.518 4.401 10 1 HICF COc1ccc(Cl)c2c1CCN[C@]2(C)c1cc2c(C)c(C)c(=O)oc2c(C)c1O 963271530 VGCFYUHZKPTHNM-HSZRJFAPSA-N 413.901 4.495 10 1 HICF O=C(NCCOc1ccccc1)[C@H]1Nc2ccc(OC(F)(F)F)cc2[C@@H]2C=CC[C@H]12 169297749 WDWQAJLFJQFMEO-UWVAXJGDSA-N 418.415 4.234 10 1 HICF COc1ccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4C[C@]5(C)CCC=C(C)C5=C[C@@H]43)CC2)cc1 504224240 FQPQZNXUZPLMNR-APAYAGTCSA-N 422.569 4.052 10 1 HICF biogenic Cc1cc(/N=N/Cc2c(C)n(C)n(-c3ccccc3)c2=O)c2cc3c(cc2n1)OCO3 169693551 IWGQRLOAJLHPDK-SHHOIMCASA-N 415.453 4.354 10 1 HICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(F)cc(C(=O)O)c3[nH]1)[C@H]1CC=C[C@@H]21 587275332 CBTGLSDLNHKSTD-NQCMUKECSA-N 408.389 4.443 10 1 HICF COc1ccc(N2CC[C@]3(C2)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)cc1 587582544 MEZWZXOPYRSTSC-XUZZJYLKSA-N 403.434 4.012 10 1 HICF CN1CCc2c3n(c4ccc(Br)cc24)CN(C)[C@H](Cc2ccccc2)[C@@H]31 2356418271 DJAYVOJDCFDUFD-IRLDBZIGSA-N 410.359 4.447 10 1 HICF COc1ccc(-c2[nH]nc3c2C(=O)c2c(NC(=O)Cc4ccc(N)cc4)cccc2-3)cc1 13492125 BHTSYKGIHPKWBB-UHFFFAOYSA-N 424.460 4.060 10 1 HICF CC[C@@H](C)c1cc(C)c2c(c1O)[C@H](NC(=O)CN1CCN(c3ccccc3)CC1)CC2 84462457 KIGCTNWRJMWONE-WZONZLPQSA-N 421.585 4.140 10 1 HICF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc(OCC4CC4)cc3)C2)c(F)c1 1772602939 BRJYKRPEFMQBNQ-AOMKIAJQSA-N 412.505 4.469 10 1 HICF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc(OCOC(C)C)cc3)C2)cc1 1772641563 SRXDTSMLMGICBZ-UUOWRZLLSA-N 412.530 4.303 10 1 HICF O=[N+]([O-])c1ccc2ccn(Cc3cc(CN4CCCC4)c(O)c4ncccc34)c2c1 1857645881 QYVIACCRXKVASW-UHFFFAOYSA-N 402.454 4.447 10 1 HICF CSc1ccc2c3c(n(CCCn4ccnc4)c(=O)c2c1)-c1ccccc1C3=O 473172513 XEZDSIFGJLJMCL-UHFFFAOYSA-N 401.491 4.222 10 1 HICF COc1cccc(/C=C/C[C@H](O)c2cc(O)c3c(c2O)C(=O)c2ccccc2C3=O)c1 653854411 GOCSCPWJTXZDCU-XZXOBPBMSA-N 416.429 4.019 10 1 HICF CCc1ccc(/C=C2\SC(N[C@H](C(=O)O)c3ccc4ccccc4c3)=NC2=O)o1 28816639 LQFPWGWOSJNMKG-OVCORXIESA-N 406.463 4.381 10 1 HICF Cc1cccc(NC(=O)Cc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c1C 587239230 MTQONHJMLOCQDU-UHFFFAOYSA-N 409.445 4.136 10 1 HICF COc1cc(/C=C\c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc(O)c1O 587785029 HAXDZQACGXJQKN-IHWYPQMZSA-N 401.291 4.202 10 1 HICF COc1ccc(OC)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O 587810430 XFMDINOXOYWKRN-OVWNDWIMSA-N 410.283 4.109 10 1 HICF Cc1ccc(O)c([C@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587823343 UJMANZNHXJDQOW-FKIZINRSSA-N 422.294 4.245 10 1 HICF COc1ccccc1NC[C@@H](O)COc1ccc2c(c1)OC1(CCCCC1)CC2=O 95588442 KHJKXACNNPUWHL-QGZVFWFLSA-N 411.498 4.215 10 1 HICF COc1ccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC=C(C)C5=C[C@H]43)CC2)cc1 504224242 FQPQZNXUZPLMNR-TVKXAPEFSA-N 422.569 4.052 10 1 HICF biogenic Cc1cc(=O)oc2c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(O)ccc12 587838246 NAIRMYDMXGZYAL-OVWNDWIMSA-N 418.262 4.332 10 1 HICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc4c(cc3[nH]1)NC(=O)CC4)[C@H]1CC=C[C@@H]21 587276101 JCVMTZYGBIOCFF-GTQRCTGISA-N 415.453 4.491 10 1 HICF COC(=O)/C=C/c1ccc(O)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587804237 DCSOIHOJBPLMEM-RTZUJDTDSA-N 420.278 4.104 10 1 HICF Cc1nn(-c2ccccc2)c(O)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587758129 PSNYALNTNNJGBM-NSPYISDASA-N 416.294 4.412 10 1 HICF COc1ccc([C@@H](O)[C@@H](C)c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1 587937139 NJUCXJPLTBXUBI-DMZKTXOQSA-N 412.445 4.184 10 1 HICF COc1ccc(N2CCOCC2)cc1Nc1ncc(F)c(Nc2ccc(F)cc2)n1 653749320 AVIHDGKGUMZJMD-UHFFFAOYSA-N 413.428 4.087 10 1 HICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/N(C)C)(c2ccccc2O)N1 587741498 NSGBOXNWUQESHN-GKKXHGIXSA-N 405.311 4.147 10 1 HICF Nc1ccc(CNC(=O)CCc2c(C(=O)O)[nH]c3cc(Cl)cc(Cl)c23)cc1 29393360 XIEYXBCPGNJAGC-UHFFFAOYSA-N 406.269 4.004 10 1 HICF O=C1C[C@@H](c2ccc(O)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H](c2ccc(O)cc2)C1 36409623 FPOSOIWRRVJAFT-ZRZAMGCNSA-N 412.441 4.394 10 1 HICF Cc1cc(=O)oc2c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(O)ccc12 587836509 AANTVZIJYMYXLX-OVWNDWIMSA-N 418.262 4.332 10 1 HICF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OCC4CC4)cc3F)C2)cc1 1772590036 HKTHPYQGDOMJRF-KSFYIVLOSA-N 412.505 4.469 10 1 HICF COc1ccc(N2CCN(C(=O)c3cc4cc5ccc(C)cc5nc4o3)CC2)cc1 4906282 ZPAHWRXIYSFPRN-UHFFFAOYSA-N 401.466 4.260 10 1 HICF COc1ccc(C2=NN[C@@]3(S2)C(=O)N(Cc2ccccc2)c2ccccc23)cc1 28824766 ABCUGGKORKLYBH-QHCPKHFHSA-N 401.491 4.093 10 1 HICF COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(OC)c1OCCC(C)C 26296380 DCJVXZFWROZPAA-UHFFFAOYSA-N 400.427 4.313 10 1 HICF CCOc1ccc(N2CC(Oc3ccc([C@H](C)CC(=O)c4cn[nH]c4)cc3)C2)cc1 96172978 MPSSCIPYQSAFHV-QGZVFWFLSA-N 405.498 4.453 10 1 HICF CCC[C@]1(c2cc(O)c(O)cc2O)N[C@H](C)Cc2cc(Br)c(F)cc21 587821098 GQGWJDOKMFQPMQ-DGIBIBHMSA-N 410.283 4.283 10 1 HICF Cc1c([C@@H]2NCCc3ccc(C(=O)N(C)C)cc32)c2cc(OC(C)C)ccc2n1C 962926502 PIYZXANSLHTNAS-XMMPIXPASA-N 405.542 4.211 10 1 HICF CCc1ccc(O)c2c1[C@H](C)C[C@]21N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962713234 UBGCNDIYJACASS-ONSGQHNLSA-N 423.406 4.462 10 1 HICF O=C1c2cccnc2C(=O)c2c1c(C(=O)Nc1cccc(Cl)c1)c1ccccn21 1857769236 FFIJWFCKAAMPSZ-UHFFFAOYSA-N 401.809 4.015 10 1 HICF CN1CCN(c2ccc([C@@H]3c4ccc(O)cc4CCN3c3cccc(O)c3)cc2)CC1 13607738 DZZKIEPRZCBGHN-AREMUKBSSA-N 415.537 4.002 10 1 HICF O=C(c1cc(-c2ccco2)on1)N1N=C(c2cccnc2)C[C@H]1c1ccccc1O 71281671 CGRWJHIINBAVDB-SFHVURJKSA-N 400.394 4.027 10 1 HICF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCOCC3)cc2)N1 587774856 PNVQUSLEDVANCE-LHSJRXKWSA-N 419.338 4.223 10 1 HICF COc1cc(O)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 587805742 HOMOWOQUAMWIKS-OVWNDWIMSA-N 410.283 4.109 10 1 HICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(F)cc(C(=O)O)c3[nH]1)[C@@H]1CC=C[C@H]21 587275333 CBTGLSDLNHKSTD-QUJCMNEKSA-N 408.389 4.443 10 1 HICF COc1cc(C[C@@H](O)c2ccc(N3CCC(C)CC3)cc2)c([N+](=O)[O-])cc1OC 1857758581 IWQKICOWNPESHQ-HXUWFJFHSA-N 400.475 4.124 10 1 HICF COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c(CO)cccc12 26842698 MOKPIVXKCJQIDG-UHFFFAOYSA-N 423.494 4.004 10 1 HICF C[C@H](NC(=O)N(C)C)c1ccc(O[C@@H]2CCN(c3ccc(OC4CC4)cc3)C2)cc1 1772622922 IVVFHDYPZRHLFC-GAJHUEQPSA-N 409.530 4.218 10 1 HICF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)cc([N+](=O)[O-])c2O)N1 587693520 DIYRVSMYYQRNIQ-NZFNHWASSA-N 415.646 4.479 10 1 HICF CN(C)Cc1cc([C@@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)ccc1O 962644390 QWWWWTLVVVDHJV-SHQCIBLASA-N 413.565 4.290 10 1 HICF COc1cc(C(=O)Nc2ccc(-c3cc(F)cc(F)c3)cc2[N+](=O)[O-])cc(O)c1O 73199467 XREKHHIMYZWFBE-UHFFFAOYSA-N 416.336 4.212 10 1 HICF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCOCC3)cc2)N1 587773559 KBKADUPTSWBZGH-RBZFPXEDSA-N 405.311 4.048 10 1 HICF CCOC(=O)c1ccc(O)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587800430 WZBQEPBTFBJNJE-XTZNXHDOSA-N 408.267 4.094 10 1 HICF C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2C(=O)Nc1ccc(N)cc1 58507731 LFESSVFWIJQGLT-RKRMHJIESA-N 407.558 4.121 10 1 HICF C[C@H]1CCc2c(sc3ncn(CC(=O)/N=N\c4c(O)[nH]c5ccccc45)c(=O)c23)C1 102675310 FDXCBMAWQBWMPV-ISUKYQKKSA-N 421.482 4.080 10 1 HICF O=[N+]([O-])c1cccc(C/N=N/c2nc(N3CCCCC3)nc(N3CCCCC3)n2)c1 169689559 YVVZLVLAWPDNPI-NJNXFGOHSA-N 410.482 4.044 10 1 HICF COC[C@H]1CCCN(Cc2ccc3c(c2)CN(Cc2ccc(N(C)C)cc2)CCO3)C1 11969658 MGZLLZPYIYDXFJ-QHCPKHFHSA-N 423.601 4.006 10 1 HICF O=C1NC(=S)S[C@@H]1Cc1cc(Br)ccc1OCc1ccccc1 36184603 NOUDHSTXXXQQPP-OAHLLOKOSA-N 408.342 4.087 10 1 HICF O=C(CNC(=O)c1ccco1)/N=N\c1c(O)n(CCc2ccccc2)c2ccccc12 96901859 DUYSUIPBLBHRDR-QPLCGJKRSA-N 416.437 4.223 10 1 HICF CC(C)(C)c1ccc(O)c([C@H]2N[C@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)c1 962647712 YGTGDNSOPFTNAY-KBXCAEBGSA-N 409.404 4.277 10 1 HICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(C(=O)N(C)C)cc3[nH]1)[C@@H]1CC=C[C@@H]21 587275298 BNESJIJKTLOEFY-ZOCZFRKYSA-N 417.469 4.308 10 1 HICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N(C)C)c([N+](=O)[O-])c2)N1 587747936 RAAMGRRZKZKXQT-MGNBDDOMSA-N 408.271 4.186 10 1 HICF C[C@]1(c2ccc(Br)cc2O)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962730326 NEXPNPITACNZMI-PBHICJAKSA-N 414.221 4.064 10 1 HICF COc1ccc(C)cc1C(=O)CCc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587788087 VGBANINLXQLRHY-UHFFFAOYSA-N 424.456 4.471 10 1 HICF CC(C)c1cc([C@]2(C)c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N23)c(O)cc1O 962636758 JRZDGZPYTLIRQH-DQEYMECFSA-N 420.509 4.132 10 1 HICF CN1C(=O)c2oc(-c3ccc(Cl)cc3)cc2Cc2cc(N3CCNCC3)ccc21 96270559 SIJOROVRMMKDAO-UHFFFAOYSA-N 407.901 4.190 10 1 HICF COc1ccc(N2CC[C@]3(C2)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)cc1 587582545 MEZWZXOPYRSTSC-ZJSXRUAMSA-N 403.434 4.012 10 1 HICF Cc1ccc([C@]2(c3cc(O)c(O)c([N+](=O)[O-])c3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587390943 SPAVQEUGMVLKNC-QHCPKHFHSA-N 420.421 4.114 10 1 HICF Fc1ccc2[nH]cc(CCCCN3CCN(c4ccc5c(c4)OCCO5)CC3)c2c1 13582462 OHRNLIWSDINQNJ-UHFFFAOYSA-N 409.505 4.223 10 1 HICF CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)c4cccnc4)cc3)C2)cc1 142196692 AGWJTEHANYHBNN-SFHVURJKSA-N 417.509 4.239 10 1 HICF O=C1O[C@H]([C@H](O)CCc2ccccc2)[C@@H](c2ccc(O)cc2O)N1c1ccc(F)cc1 29129394 VRMROCFLNPZIPT-YMPZKCBVSA-N 423.440 4.297 10 1 HICF N[C@@H](Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)c1ccccc1Cl 587059027 LEOXTTZKSRVEIF-KRWDZBQOSA-N 401.853 4.234 10 1 HICF O=C(c1cc(-c2ccccc2)on1)N1N=C(c2cccnc2)C[C@H]1c1ccccc1O 71281451 PVQAUJNCHGGQBH-NRFANRHFSA-N 410.433 4.434 10 1 HICF C[C@@H]1CCc2c(sc3ncn(CC(=O)/N=N\c4c(O)[nH]c5ccccc45)c(=O)c23)C1 102675308 FDXCBMAWQBWMPV-CDEYQZMGSA-N 421.482 4.080 10 1 HICF Cc1cc(N2CCOCC2)ccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587770161 CPDZOTQJJPDHBZ-QKKBWIMNSA-N 419.338 4.357 10 1 HICF CN1CCN(c2ccc([C@H]3c4ccc(O)cc4CCN3c3cccc(O)c3)cc2)CC1 13607737 DZZKIEPRZCBGHN-SANMLTNESA-N 415.537 4.002 10 1 HICF Cc1c(C(=O)C2CC2)cc(-c2ccc(Cl)cc2)n1-c1ccc(S(N)(=O)=O)cc1 40379805 NHOFBVBSHPEQHP-UHFFFAOYSA-N 414.914 4.346 10 1 HICF CCC(CC)CN1C(=O)S/C(=C\c2cc(Br)cc(O)c2O)C1=O 84688431 VQAORCSTSHGADL-MLPAPPSSSA-N 400.294 4.333 10 1 HICF NCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 26840490 HPSPAJJKGOGMIN-UHFFFAOYSA-N 406.511 4.222 10 1 HICF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3c4c(ccc3[nH]2)C(=O)c2ccccc2C4=O)cc1 587785800 OXCLBZNQQLNUDO-MOPGFXCFSA-N 422.440 4.282 10 1 HICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)cc([N+](=O)[O-])c2O)N1 587693518 DIYRVSMYYQRNIQ-MLXNANBUSA-N 415.646 4.479 10 1 HICF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc(OCC(F)(F)F)cc3)C2)cc1 1772569956 XRERDVPSWCFJKC-BTYIYWSLSA-N 422.447 4.483 10 1 HICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(C(=O)O)c(F)cc3[nH]1)[C@H]1CC=C[C@@H]21 587277552 YCENWPWMNIPDGF-UFYHVXEKSA-N 408.389 4.443 10 1 HICF CN(C)Cc1c(O)ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1O 586988181 FZHHZWZBOOLQOJ-UHFFFAOYSA-N 412.445 4.292 10 1 HICF CN(C)c1ccc([C@]2(C(F)(F)F)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1 962704893 DRLJUKKBJDXNBF-WMZOPIPTSA-N 416.365 4.204 10 1 HICF COc1c(O)c(CNCc2ccccc2)c2oc(-c3ccccc3)cc(=O)c2c1O 29127784 SHBYBASYBOOIOO-UHFFFAOYSA-N 403.434 4.170 10 1 HICF CCOc1ccccc1[C@H]1NC(c2ccc3c(c2)OCO3)=C[C@H](c2ccccc2O)N1 102956516 YMSTUYZOLDSVPQ-NLFFAJNJSA-N 416.477 4.493 10 1 HICF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCOCC3)cc2)N1 587773563 KBKADUPTSWBZGH-RNODOKPDSA-N 405.311 4.048 10 1 HICF CN1c2ccccc2C(=O)N2CCc3c(n(CCCCCCO)c4ccccc34)[C@@H]21 1772634679 QJZLKVSPFFVNJJ-XMMPIXPASA-N 403.526 4.341 10 1 HICF CCO[P@](=O)(O)c1c(-c2ccccc2Cl)oc2c1C(=O)c1ccccc1C2=O 1857611292 JJZOGBALUMZBMN-UHFFFAOYSA-N 416.753 4.223 10 1 HICF CCCn1c(O)c(/N=N\C(=O)CNC(=O)/C=C/c2ccc(OC)cc2)c2ccccc21 102741883 BNSDLRYHFBYHHC-RVKVSWRXSA-N 420.469 4.205 10 1 HICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCOCC3)cc2)N1 587775445 SIMCYVLPZFXSLQ-SPLOXXLWSA-N 419.338 4.223 10 1 HICF O=C(CCc1ccc(NC(=O)Cc2cccs2)cc1)CCc1ccc(O)c(O)c1 1772570868 MYKJSMIEBBKJBR-UHFFFAOYSA-N 409.507 4.475 10 1 HICF O=C(O)[C@@H]1CCCN(CCCOCC=C2c3ccccc3CCc3ccccc32)C1 13863098 NUXGFPYICWCXIY-JOCHJYFZSA-N 405.538 4.420 10 1 HICF CN(C)CCOc1ccc([C@H](c2c(O)ccc3ccccc23)N2CCC(O)CC2)cc1 72180879 SGMATPRJPLKGAC-AREMUKBSSA-N 420.553 4.032 10 1 HICF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N(C)C)cc2[N+](=O)[O-])N1 587746428 JVTYJCLBSOGHQP-YPMLDQLKSA-N 408.271 4.186 10 1 HICF CCOC(=O)c1ccc(O)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587797634 MONCMRAJVBNBAE-XTZNXHDOSA-N 408.267 4.094 10 1 HICF COC(=O)/C=C/c1ccc(O)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587804780 FOTBKAARMOXNID-HSBHCLGXSA-N 420.278 4.104 10 1 HICF CC(=O)Nc1ccc(O)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587746487 ZXAPMNHDCULZFM-OVWNDWIMSA-N 407.283 4.050 10 1 HICF C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2C(=O)Nc1ccc(N)cc1 3804845 LFESSVFWIJQGLT-QKONGSNMSA-N 407.558 4.121 10 1 HICF O=C(Cn1ccc(C(F)(F)F)n1)/N=N\c1c(O)[nH]c2ccc(Br)cc12 13637770 PFYQOUQXJHPWFD-MRCUWXFGSA-N 416.157 4.162 10 1 HICF O=C1/C(=C/c2ccc(O)c(O)c2O)SC(=S)N1c1cccc(C(F)(F)F)c1 45497908 ZHXNSAUKDCLEDQ-SDQBBNPISA-N 413.398 4.228 10 1 HICF CCC[C@H]1c2cc[nH]c2C=C[C@@H]1C(=O)CC(=O)CCc1cc(CNC)c(O)c(OC)c1 2356293020 ZKLMPSWRJFPSPJ-FPOVZHCZSA-N 424.541 4.136 10 1 HICF CCOc1cccc(CN2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)c1O 11764942 XGGUKKKPDXEDJA-UHFFFAOYSA-N 424.541 4.070 10 3 HICF CN1C[C@H](CNC(=O)c2ccccc2Cl)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21 103297477 CCSXNZIOJIIZOA-VQPPSCEASA-N 407.945 4.222 10 1 HICF COc1c(O)c(O)cc2c(C)c3c(cc12)C(=O)[C@](C)(CCCC(=O)OC(C)C)CO3 238756886 ZNFDBZPKXKIQNA-HSZRJFAPSA-N 416.470 4.271 10 1 HICF C[C@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/N(C)C)(c2ccccc2O)N1 587741501 NSGBOXNWUQESHN-GMUOHRNQSA-N 405.311 4.147 10 1 HICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCOCC3)cc2)N1 587773566 KBKADUPTSWBZGH-ZUOKHONESA-N 405.311 4.048 10 1 HICF COc1c2c(c3c(c1C1O[C@H](C)[C@@H](C)O1)CC(C)(C)O3)C(=O)c1ccccc1C2=O 6441904 DEYWFKTUCIHOIW-VXGBXAGGSA-N 408.450 4.007 10 1 HICF COc1c2c(c(C)c3cc(O)c(O)cc13)OC[C@](C)(CCCC(=O)OC(C)C)C2=O 13459693 LTONYNJTIJFQNN-QHCPKHFHSA-N 416.470 4.271 10 1 HICF biogenic CC[C@@H](C)c1cc(C)c2c(c1O)[C@@H](NC(=O)CN1CCN(c3ccccc3)CC1)CC2 84462459 KIGCTNWRJMWONE-JPYJTQIMSA-N 421.585 4.140 10 1 HICF CCOC(=O)CCc1ccc(-c2ccc(OC)cc2)n1-c1ccc(C(=O)NC)cc1 84604061 MOQLDDSWYXCDOQ-UHFFFAOYSA-N 406.482 4.008 10 1 HICF Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@H](C)CNCc3ccc(N(C)C)cc3)C[C@@H]1O2 95557432 SEFMMMXTFSRZEW-ICPLQIHGSA-N 408.542 4.385 10 1 HICF CCCCOc1ccc([C@H]2N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c(O)c1 962994755 NUSIAHYSRJHAOH-DNVCBOLYSA-N 411.832 4.191 10 1 HICF CC[C@@]1(c2cc([N+](=O)[O-])ccc2O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587747584 ORGFZGKUPMPEPI-XTZNXHDOSA-N 409.255 4.390 10 1 HICF COc1cc(C)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1OC 587810441 XKVUKACUPURIGL-BTDLBPIBSA-N 410.283 4.243 10 1 HICF CC[C@]1(c2cc([N+](=O)[O-])ccc2O)N[C@H](C)Cc2cc(Br)c(F)cc21 587747582 ORGFZGKUPMPEPI-MGNBDDOMSA-N 409.255 4.390 10 1 HICF Cc1nn(-c2ccccc2)c(O)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587583965 XNZRCMQJDDTLIY-REWPJTCUSA-N 414.417 4.295 10 1 HICF COC(=O)/C=C/c1ccc(O)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587804239 DCSOIHOJBPLMEM-XUXYQCLLSA-N 420.278 4.104 10 1 HICF O=C(/C=C/c1ccc(N2CCOCC2)cc1)Nc1nc(-c2ccccc2F)cs1 653785022 UUCKWYBKCBYMGK-JXMROGBWSA-N 409.486 4.438 10 1 HICF COc1cc(O)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587809911 VSDXSUDAOYUDNA-GIGQVBGESA-N 410.283 4.109 10 1 HICF Oc1ccccc1[C@@]1(c2cnoc2)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962643166 PTKHYFRLIVONSM-YIXXDRMTSA-N 423.516 4.419 10 1 HICF O=c1c2cn[nH]c2c2ccc(-c3cccnc3NC3CCC3)cc2n1CC(F)(F)F 205073125 OQVUWSDNMJWCNB-UHFFFAOYSA-N 413.403 4.467 10 1 HICF Cc1nn(-c2ccccc2)c(O)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587583963 XNZRCMQJDDTLIY-NZQKXSOJSA-N 414.417 4.295 10 1 HICF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(N3CCC(C(=O)O)CC3)cc2)N1 962955681 XWRLWTQQWQDNEP-MBSDFSHPSA-N 403.526 4.483 10 1 HICF Cc1cc2c(n1-c1ccccc1)CCc1cc(S(=O)(=O)c3ccccc3)c(=O)[nH]c1-2 26674177 CQNIVANWPDNELE-UHFFFAOYSA-N 416.502 4.072 10 1 HICF O[C@@H](CNCc1ccccc1)COc1ccc2c(c1)CCCN2Cc1ccccc1 40864619 GWLGSGLGGNBJLM-DEOSSOPVSA-N 402.538 4.169 10 1 HICF COc1cc(O)c(C(=O)NCc2ccc(O)c(O)c2)cc1C12CC3CC(CC(C3)C1)C2 103234457 UVTUPBOIJUASBA-UHFFFAOYSA-N 423.509 4.210 10 1 HICF COC[C@@H]1CCCN(Cc2ccc3c(c2)CN(Cc2ccc(N(C)C)cc2)CCO3)C1 11969651 MGZLLZPYIYDXFJ-HSZRJFAPSA-N 423.601 4.006 10 1 HICF NC(=S)n1nc(-c2ccc([N+](=O)[O-])cc2)c(/N=N/c2ccccc2Cl)c1O 169312535 NOIPSJOLGLFIFJ-FMQUCBEESA-N 402.823 4.324 10 1 HICF Cc1cccc(/C=C/C[C@@H](O)c2cc(O)c3c(c2O)C(=O)c2ccccc2C3=O)c1 653846628 WHTAHAGTSPRXGW-MTCRFPMVSA-N 400.430 4.319 10 1 HICF CC(=O)N[C@H](C)c1ccc(O[C@H]2CCN(c3ccc(OCC4CC4)cc3)C2)c(F)c1 1772602942 BRJYKRPEFMQBNQ-ZHRRBRCNSA-N 412.505 4.469 10 1 HICF CC[C@H]1C(=O)N(c2ccccc2)N(c2ccc3c(c2)c(C2CC2)cc(=O)n3CC)C1=O 1857565457 IHGPOFVVNCLMDX-IBGZPJMESA-N 415.493 4.220 10 1 HICF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCOCC3)c(F)c2)N1 587726557 XPNDAKORZOYBIQ-YUNKPMOVSA-N 423.301 4.188 10 1 HICF COc1cc(OC2CC2)ccc1N1CC[C@@H](Oc2ccc([C@H](C)NC(C)=O)cc2)C1 1772588495 XMZRXBQGVQDFOB-KSFYIVLOSA-N 410.514 4.091 10 1 HICF O=C1NN(C(=O)c2ccc(Cl)cc2)C(c2ccccc2)=N/C1=C/c1ccccc1 64485615 VHIMEHWUBAYHSG-HMMYKYKNSA-N 401.853 4.315 10 1 HICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCOCC3)c(F)c2)N1 587723967 CVFDWUDYJQAXEY-MPBGBICISA-N 423.301 4.188 10 1 HICF CN(C)CCCNCc1cc(I)cc(C2CCCCC2)c1O 28245261 JIOQTDZUECUFIN-UHFFFAOYSA-N 416.347 4.086 10 1 HICF COc1ccc2[nH]c(CN3CCc4ccccc43)c(CCNC(=O)C3CCC3)c2c1 40979240 RSFDBNGUELUOMT-UHFFFAOYSA-N 403.526 4.198 10 1 HICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\N(C)C)(c2ccc(F)cc2O)N1 587725844 GTTRDROINUHRSM-AXYNJAANSA-N 423.301 4.286 10 1 HICF CC(=O)c1c(-c2ccc(O)c(O)c2)oc2cc(/C=C/c3ccc(O)c(O)c3)oc(=O)c12 14555390 HKRPUELQNBGEIC-GORDUTHDSA-N 420.373 4.248 10 1 HICF CN(C)C1=Nc2ccccc2[C@@H](CC(=O)NCc2ccc(N)cc2)N1c1ccccc1 49844781 ADQNFSXMHBVQJA-HSZRJFAPSA-N 413.525 4.086 10 1 HICF in-vivo CC(C)CNc1ncnc2c1nc(-c1ccc(N3CCCC3)cc1)n2C[C@H]1CCCO1 82177907 XNNAXMKVUMECJI-HXUWFJFHSA-N 420.561 4.340 10 1 HICF COc1ccc2c(c1OC)[C@@](CC(=O)c1ccco1)(c1ccccc1O)N(C)[C@H](C)C2 962623170 JXWHVZHFWCFJNI-PUAOIOHZSA-N 421.493 4.395 10 1 HICF CC(C)CCN1C(=O)N(C(C)C)C(=O)C12CCN(Cc1cc(Cl)ccc1O)CC2 473109543 SSHKVWSHJIBAJK-UHFFFAOYSA-N 421.969 4.099 10 1 HICF O=C1c2ncccc2C(=O)c2c1c(C(=O)Nc1cccc(Cl)c1)c1ccccn21 1857650743 OAMVXUYRMHQINT-UHFFFAOYSA-N 401.809 4.015 10 1 HICF Cc1nn(-c2ccccc2)c(O)c1/N=N\c1c(O)cc(S(=O)(=O)O)c2ccccc12 13864591 MEMAKMVPPFASSB-DQRAZIAOSA-N 424.438 4.407 10 1 HICF CN(C)c1ccc([C@H]2N(Cc3ccccc3)CC(c3ccc([N+](=O)[O-])cc3)=[N+]2[O-])cc1 101112522 MENGGUKSNQUVQP-DEOSSOPVSA-N 416.481 4.175 10 1 HICF CCCCC[C@H](OC)c1c(O)cc2c(c1O)C(=O)c1c(OC)cc(OC)cc1C2=O 238739234 FRGXUZKVGGIONY-INIZCTEOSA-N 414.454 4.158 10 1 HICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(F)cc(C(=O)O)c3[nH]1)[C@@H]1CC=C[C@@H]21 587275334 CBTGLSDLNHKSTD-VPZZIHKRSA-N 408.389 4.443 10 1 HICF CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)[C@H]1CCCN1Cc1ccccc1O 28567298 JOGJNLXOXOGNJI-AOYPEHQESA-N 418.581 4.482 10 1 HICF Cc1sc2c(c1C)CCN[C@@]2(CCC(=O)O)c1cc(Br)ccc1O 963007240 HETKCELWMDRUQF-SFHVURJKSA-N 410.333 4.087 10 1 HICF COc1cc(/C=C2\C=C(c3cccc(Br)c3)OC2=O)ccc1OC(C)=O 1857602338 CSDQOBQPVIHXKE-OVCLIPMQSA-N 415.239 4.364 10 1 HICF O=C(O)CCN1C(=O)/C(=C/c2cccc(OCc3ccc(F)cc3)c2)SC1=S 40006437 ICGJMQLTLREJES-BOPFTXTBSA-N 417.483 4.081 10 3 HICF CCCCOC(=O)CCCc1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1 29550284 JRQPVTSKPXCZKF-UHFFFAOYSA-N 402.579 4.250 10 1 HICF CN1CCc2c(cc(O)c(O)c2Br)[C@H](c2cccc(C(F)(F)F)c2)C1 87723295 FTKZFGGKMRGKQD-AWEZNQCLSA-N 416.237 4.499 10 1 HICF CC1=CC[C@@]2(C)CC[C@@](O)(C(C)C)[C@@H]2[C@@H](OC(=O)CCc2ccc(O)c(O)c2)C1 34608967 HKFCYEQCCMQQMG-KELGSRBJSA-N 402.531 4.486 10 1 HICF CCOc1ccc(N2CC(Oc3ccc([C@H](C)CC(=O)[C@@H]4CCOC4)cc3)C2)cc1 96173017 YVSBILMCJWGDMD-UYAOXDASSA-N 409.526 4.452 10 1 HICF NC(=O)c1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 40980408 YVQRZTNLOOPOGU-ZSOIEALJSA-N 408.426 4.210 10 1 HICF CC(C)n1c(O)c(/N=N/C(=O)Cc2csc(N3CCOCC3)n2)c2ccccc21 101586475 WOHUOIWXRVMAMS-GHVJWSGMSA-N 413.503 4.074 10 1 HICF O=C1c2ccccc2C(=O)c2c1ccc1nc(SCCCN3CCCCC3)[nH]c21 103264521 FYDFHJKODUGMNM-UHFFFAOYSA-N 405.523 4.306 10 1 HICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)cc([N+](=O)[O-])c2O)N1 587701891 YCXGAYZYZHYWKJ-KWKYVRJSSA-N 415.646 4.479 10 1 HICF C[C@]1(Cc2ccc(O)c(O)c2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962962716 UMVLBECOTPILCV-HXUWFJFHSA-N 407.432 4.226 10 1 HICF CCOC(=O)CCc1ccc(-c2ccc(OC)cc2)n1-c1ccc(NC(N)=O)cc1 84633992 PQCMEQPITAQYIC-UHFFFAOYSA-N 407.470 4.139 10 1 HICF CC[C@@]1(c2cc([N+](=O)[O-])ccc2O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587745210 GUPCSSNGFFPGRD-YPMLDQLKSA-N 409.255 4.390 10 1 HICF COc1cc(O)c([C@@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)cc1OC 962646435 UOQHJVFEYRWSFN-FNZWTVRRSA-N 416.521 4.246 10 1 HICF CCCC(=O)Nc1ccc(O)c([C@@]2(C)NCCc3cnc4c(OC)cccc4c32)c1 963046560 KRDHGESFEZMREU-XMMPIXPASA-N 405.498 4.097 10 1 HICF CN1c2ccccc2C(=O)N2CCc3c(n(C(=O)c4ccccc4)c4ccccc34)[C@H]21 64235752 CXCZNOXVHJPKPC-DEOSSOPVSA-N 407.473 4.477 10 1 HICF CN(CCO)c1ccc(-c2nc3c(C(F)(F)F)cc(Br)cc3[nH]2)cc1 587192802 DKIGOIJMOBINMY-UHFFFAOYSA-N 414.225 4.440 10 1 HICF CC[C@]1(c2cc([N+](=O)[O-])ccc2O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587745208 GUPCSSNGFFPGRD-XTZNXHDOSA-N 409.255 4.390 10 1 HICF COC(=O)c1ccc(-n2c(C)cc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c2C)cc1 587390313 POPKXPQJRDMTPL-QFIPXVFZSA-N 404.466 4.478 10 1 HICF O=C(/C=C/c1ccc(O)c(O)c1)OCCc1ccc(OCCc2ccc(O)cc2)cc1 473154966 NMSYSZHLZBCYSN-WUXMJOGZSA-N 420.461 4.224 10 1 HICF O=C(c1ccc(Cn2c3c(c4cc(F)ccc42)C[S@@](=O)CC3)cc1)C(F)(F)F 1857771409 GUVQGQZKZINTQN-NDEPHWFRSA-N 409.404 4.379 10 1 HICF COC(=O)c1cccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@H]43)[nH]c12 587275381 CYJRXDVFRBDBAI-ARGWCVDVSA-N 404.426 4.393 10 1 HICF COc1cc(O)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587807861 ODVIYKKQHDJXHZ-DGIBIBHMSA-N 410.283 4.109 10 1 HICF COc1ccc(/C=C/C(=O)Nc2ccc3nc(N4CCOCC4)cc(C)c3c2)cc1 3649843 GZXQNWJYYPQVSJ-BJMVGYQFSA-N 403.482 4.040 10 1 HICF COc1cc2c3c(n(CCCN=[N+]=[N-])c(=O)c2cc1OC)-c1ccc(F)cc1C3=O 28711271 CXYWBXHQOFSIJB-UHFFFAOYSA-N 408.389 4.070 10 1 HICF Cc1cc2c(N=NC(N)=S)c(O)n(CN3CCCCC3)c2cc1Br 377810368 RDGCWHXJEXJREZ-UHFFFAOYSA-N 410.341 4.189 10 1 HICF CCN1CCN(Cc2cc(CNC3(c4ccccc4F)CCCC3)ccc2O)CC1 473107385 ISUSVGOJLVFOOD-UHFFFAOYSA-N 411.565 4.228 10 1 HICF C[C@@H](Cc1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1)NC(=O)[C@H](C)F 149637151 ATOSVDCKFBIOHZ-ROUUACIJSA-N 410.533 4.484 10 1 HICF COc1ccccc1OCC(=O)N=Nc1c(O)[nH]c2ccc(Br)cc12 617960167 XECPGKPBCXPZBS-UHFFFAOYSA-N 404.220 4.334 10 1 HICF Cc1cc(N2CCOCC2)ccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587770160 CPDZOTQJJPDHBZ-LHSJRXKWSA-N 419.338 4.357 10 1 HICF COc1cc(Br)ccc1OCC(=O)N=Nc1c(O)[nH]c2ccccc12 617960318 DPPGNJMLMAXDNB-UHFFFAOYSA-N 404.220 4.334 10 1 HICF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCc1ccc(O)c(O)c1 587862407 MXGXCBYSVUSHHT-UHFFFAOYSA-N 406.360 4.262 10 1 HICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCC(O)CC3)cc2)N1 587766254 GIMKNCVSAWRCHC-ASSNKEHSSA-N 419.338 4.173 10 1 HICF CCOC(=O)COc1ccc(Sc2ccc(O)c(CN)c2)c(Cl)c1Cl 27998003 OHKBGHLPNHPPJI-UHFFFAOYSA-N 402.299 4.251 10 1 HICF COc1cc(O)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587809908 VSDXSUDAOYUDNA-DGIBIBHMSA-N 410.283 4.109 10 1 HICF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3csc([C@H]4CCCO4)n3)[nH]c21 587016977 QITBZWXRAGSFHS-MRXNPFEDSA-N 401.447 4.313 10 1 HICF CCC(C)(C)c1ccc(O)c([C@@]2(C)N[C@H](C(=O)O)Cc3c2cnc2ccccc32)c1 963218154 CFEBHUAEFJUMDN-SQJMNOBHSA-N 404.510 4.490 10 1 HICF CN(C)c1ccc(CN2CCOC[C@@H]2c2ncc(-c3ccc(Cl)s3)[nH]2)cc1 2356299534 KJKHRKLHZMXMFS-QGZVFWFLSA-N 402.951 4.431 10 1 HICF COc1ccc(OCC(=O)N=Nc2c(O)[nH]c3ccc(Br)cc23)cc1 617960054 IQMHEHQWSBUFDM-UHFFFAOYSA-N 404.220 4.334 10 1 HICF C[C@]1(c2ccc(Br)cc2O)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962730330 NEXPNPITACNZMI-YOEHRIQHSA-N 414.221 4.064 10 1 HICF O=C(Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1)OC[C@@H](O)CO 26842356 PZNSIIHPONXSOA-KRWDZBQOSA-N 403.438 4.033 10 1 HICF COc1ccc2c(c1)[C@H](c1cc(Br)cc([N+](=O)[O-])c1O)N(C(C)C)CC2 962092870 RBAPLEBJPPRJJD-GOSISDBHSA-N 421.291 4.427 10 1 HICF CCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc(N)ccc23)c(OC)c1 26849526 RFURVULENUHLHQ-UHFFFAOYSA-N 422.510 4.484 10 1 HICF CCc1ccc(/C=C2\SC(N[C@@H](C(=O)O)c3ccc4ccccc4c3)=NC2=O)o1 28816637 LQFPWGWOSJNMKG-XLXASQRYSA-N 406.463 4.381 10 1 HICF O=C(COc1ccccc1)N[C@@H](c1ccccc1)c1cc(F)c2cccnc2c1O 40934050 UITMQDSLPDVJGN-QFIPXVFZSA-N 402.425 4.364 10 1 HICF CSc1ccc(C(=O)NC[C@@H]2C[C@@H]3c4cccc5c4c(cn5C)C[C@H]3N(C)C2)cc1 103297496 ABNHCMSAABNZBF-POCHDABASA-N 419.594 4.290 10 1 HICF CC(C)CN([C@H](C)c1ccc(N2CCOCC2)cc1)S(=O)(=O)Cc1ccccc1 224301286 PHOIGTLXLJYMLE-HXUWFJFHSA-N 416.587 4.072 10 1 HICF O=C1C[C@H](c2ccc(O)cc2)Oc2cc(O)c(CN3CCc4ccccc4C3)c(O)c21 1772644185 AOUURUMSOURDMW-JOCHJYFZSA-N 417.461 4.068 10 1 HICF COC(=O)c1cccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@@H]43)[nH]c12 587275384 CYJRXDVFRBDBAI-PJSUUKDQSA-N 404.426 4.393 10 1 HICF Cc1ccnc2c1CCN[C@@]21C(c2ccc(Cl)cc2)=COc2cc(O)cc(O)c21 963075415 SAVJNFACWRVUOM-HSZRJFAPSA-N 406.869 4.277 10 1 HICF C[C@]12C=CC(=O)N[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3ccc(N)cc3)CC[C@@H]12 26969070 LFESSVFWIJQGLT-FKHIRMOZSA-N 407.558 4.121 10 1 HICF CCOc1cc([C@@H]2CC(c3ccc(O)cc3)=NN2C(=O)c2cccnc2)ccc1OC 45283330 VROYQIFGFSLILK-NRFANRHFSA-N 417.465 4.186 10 1 HICF O=C(Nc1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1)c1ccc(Cl)cc1 28765130 RRYXBTKSXWBKLV-UHFFFAOYSA-N 413.949 4.490 10 1 HICF Cc1ccc([C@@]2(c3ccccc3Cl)N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)c(O)c1 963468693 IPDXJCILVJSEFJ-GBXCKJPGSA-N 423.896 4.259 10 1 HICF N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587175950 YOYVNBJFSNWDKM-GOSISDBHSA-N 424.435 4.201 10 1 HICF CCOC(=O)CC[C@@]1(c2ccc(N(C)C)cc2)c2ccc(F)cc2C[C@@H]2CCCN21 963108263 LDANOMBTCBYKNJ-WIOPSUGQSA-N 410.533 4.499 10 1 HICF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc4c(c3)OCC(C)(C)CO4)C2)cc1 1772597202 UJHUABQJNZSBNX-HTAPYJJXSA-N 424.541 4.339 10 1 HICF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C2C(=O)c3ccccc3C2=O)N1 587819195 HMBRHZNDGDTLGY-FVINQWEUSA-N 402.263 4.033 10 1 HICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCOCC3)cc2F)N1 587724265 GMWZTDOZKHDZFF-MPBGBICISA-N 423.301 4.188 10 1 HICF O=C(c1cc(-c2cccs2)n[nH]1)N1N=C(c2cccnc2)C[C@@H]1c1ccccc1O 71295661 ILDHGPXJMRGGTC-LJQANCHMSA-N 415.478 4.230 10 1 HICF CCN(CC)C(=S)/N=N\c1c(O)n(CN2C[C@H](C)O[C@H](C)C2)c2ccccc12 28528283 ZTDLCQVCIHRUIT-TYXFZBCWSA-N 403.552 4.124 10 1 HICF CC(C)CNc1nc(Nc2cccc(N)c2)c2ncn(CCc3ccc(N)cc3)c2n1 40881206 JPVMVYXSQVBZFN-UHFFFAOYSA-N 416.533 4.045 10 1 HICF Cc1cc(=O)oc2c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(O)ccc12 587836507 AANTVZIJYMYXLX-GIGQVBGESA-N 418.262 4.332 10 1 HICF CN(C)c1ccc([C@@H]2C(=O)N(C3CCCCC3)CC(=O)N2Cc2cccs2)cc1 6919899 PMKWJMWXARWVBR-JOCHJYFZSA-N 411.571 4.059 10 1 HICF CN(CCO)c1ccc(-c2nc3cc(Br)c(C(F)(F)F)cc3[nH]2)cc1 587193005 OTJOHLQOMSXTHV-UHFFFAOYSA-N 414.225 4.440 10 1 HICF CC[C@@]1(c2ccc(O)c(O)c2)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962644981 RUCLHGMABKTOPS-BKMJKUGQSA-N 400.522 4.498 10 1 HICF CN(C)c1ccc([C@]2(C)N[C@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)cc1 963180388 NBHRNJIKOMFRRZ-HKUYNNGSSA-N 412.839 4.287 10 1 HICF COc1ccc([C@@H]2CC(c3ccc(OCC=C(C)C)cc3O)=NN2C(N)=S)cc1 64526813 PNYNDZZAMQHAJQ-FQEVSTJZSA-N 411.527 4.141 10 1 HICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N(C)C)cc2[N+](=O)[O-])N1 587747408 NQKAZXYJLPADIE-MLCYQJTMSA-N 408.271 4.186 10 1 HICF COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(OCCC(C)C)c1OC 26380342 YUJJTUUQVFTQBG-UHFFFAOYSA-N 400.427 4.313 10 1 HICF COC[C@H](C)c1c(O)c2c(c(OC)c1OC)[C@]1(C)CCCC(C)(C)[C@H]1C(=O)C2=O 504523211 FHXIDDGLYXABOP-PTDPWNNISA-N 404.503 4.009 10 1 HICF biogenic COCCCN1CCc2ccc(OC)cc2[C@@H]1c1cc(F)c(Br)cc1O 961323010 LIZJTMNBMNLCON-HXUWFJFHSA-N 424.310 4.286 10 1 HICF COC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(/N=N/c2ccccc2)cc1 26485121 TWWMJINRMNPUGZ-ZPKNHPDFSA-N 415.449 4.185 10 1 HICF COc1cc(/C=C2\C(=O)N(c3cccc([N+](=O)[O-])c3)N=C2c2ccccc2)ccc1O 95557263 LURDQIPCARKCCD-UNOMPAQXSA-N 415.405 4.144 10 1 HICF COC(=O)C[C@@]1(c2ccc(OC)cc2O)NCCc2cc(-c3ccccc3)ccc21 962668827 YEAXNTRPRBDQOZ-RUZDIDTESA-N 403.478 4.020 10 1 HICF C[C@]1(c2ccc(N3CCNCC3)c(F)c2)c2ccsc2CCN1Cc1cccnc1 963010289 MROMVTGIXWJMKT-DEOSSOPVSA-N 422.573 4.014 10 1 HICF O=C(c1ccc(C(F)(F)F)cc1)n1c2cc(O)c(O)cc2c2ccc(O)c(O)c21 3834103 BSVHHTYZJHWTDE-UHFFFAOYSA-N 403.312 4.324 10 1 HICF COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccc(N)cc12 5138623 OSEVJNPCYXFORZ-UHFFFAOYSA-N 408.483 4.094 10 1 HICF COc1cc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc(Cl)c1O 587046138 KZQNSOKUKHRHJG-UHFFFAOYSA-N 404.809 4.373 10 1 HICF COc1cc(O)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587807863 ODVIYKKQHDJXHZ-OVWNDWIMSA-N 410.283 4.109 10 1 HICF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc(OCC(F)F)cc3)C2)cc1 1772602263 RLJUAUANLFNJQS-BTYIYWSLSA-N 404.457 4.185 10 1 HICF C[C@H](Cc1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1)NC(=O)C(F)F 149638653 SBQQBKRZROYCIX-MRXNPFEDSA-N 414.496 4.392 10 1 HICF CCOCC(=O)N[C@@H](C)c1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1 149970905 GQTUKJUFURMPDC-SFHVURJKSA-N 408.542 4.293 10 1 HICF Oc1[nH]c2ccccc2c1N=Nc1nc(N2CCCCC2)nc(N2CCCCC2)n1 617960081 SNAQSMCICPNMHS-UHFFFAOYSA-N 406.494 4.455 10 1 HICF COc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1OC 587804537 BRSJHQCCZLEPCG-APBUJDDRSA-N 410.283 4.109 10 1 HICF O=C1c2ccccc2C(=O)c2c1nnn2-c1cc(F)c(-c2ccc(F)cc2)c(F)c1 1911571184 VHIJIKBLGTVOJF-UHFFFAOYSA-N 405.335 4.127 10 1 HICF COC1=C(c2ccc(Cl)cc2)C(=O)O/C1=C\c1ccc(N2CCOCC2)c(F)c1 95598416 JRDSOQSPGSKMHG-UYRXBGFRSA-N 415.848 4.271 10 1 HICF CC(=O)N1CCN(c2ccc(/C=C/c3cc(Cl)cc(Cn4ccnc4)c3)cc2)CC1 1857638111 KBPQRZSKUGWBJI-NSCUHMNNSA-N 420.944 4.424 10 1 HICF CN(C)c1ccc(CNC(=O)[C@@H]2CNC[C@H]2c2cccc(Oc3ccccc3)c2)cc1 1857558425 AVXWPKSICSOUOU-LOSJGSFVSA-N 415.537 4.164 10 1 HICF