smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)c(F)c(F)c2O)N1 587720653 NTQNVRJOKNRFRB-NPMWZIQKSA-N 451.080 4.958 10 1 JJCF COc1ccc([C@@]2(c3ccc(Cl)cc3)N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c(O)c1 962973346 KHQXVTMOSHOLNT-FDDCHVKYSA-N 480.294 4.877 10 1 JJCF Oc1ccccc1[C@H]1C=C(c2ccc3c(c2)OCO3)N[C@H](c2cccc(Br)c2)N1 2934961 NGBWNIZBOWNBIS-XXBNENTESA-N 451.320 4.857 10 1 JJCF Nc1ccc(Oc2ccc3nc([C@H](N)Cc4ccc(I)cc4)[nH]c3c2)cc1 587185125 XMAQQFPQXKTOKZ-GOSISDBHSA-N 470.314 4.785 10 1 JJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(I)c2O)N1 587738128 KEWKLNTWCXORLW-GLEZIHRCSA-N 462.100 4.522 10 1 JJCF CN1CCC(NC(=O)c2ccncc2Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)CC1 1857570890 SYNKNGKRJNDNAW-UHFFFAOYSA-N 491.599 4.751 10 1 JJCF Nc1ccc(Nc2c(C(=O)NCc3ccc(F)cc3)nc(Br)c3cccnc23)cc1 95571598 HRDUBWKMVYMKHI-UHFFFAOYSA-N 466.314 4.787 10 1 JJCF CCOC(=O)Cn1c(C)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 587574885 CNLCTOWPXHKELG-IGKIAQTJSA-N 457.482 4.921 10 1 JJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(I)ccc2O)N1 587737524 FSWVEGFRBHGCFF-HUTHGQBESA-N 476.127 4.696 10 1 JJCF COc1ccc(-n2c(C)cc([C@@H]3c4ccccc4C[C@@]4(C5CCC5)C(=O)NC(=O)N34)c2C)cc1OC 962668603 OGDNTSDRJWMOCR-LITSAYRRSA-N 485.584 4.848 10 1 JJCF COC1=C(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c2[C@]12NCCc1cccc(-c3ccccc3)c12 962672499 YGWWAIVNTOSVGU-PMERELPUSA-N 495.531 4.973 10 1 JJCF CN(C)c1ccc(CN[C@@H]2CC(C)(C)[C@@H]3C[C@@](C)(O)CC[C@@]32CCC(=O)N2CCCC2)cc1 2356822309 FUCZKIGKHASRRR-JZTSUELASA-N 455.687 4.581 10 1 JJCF COc1cc2c(cc1OC)[C@@H](COc1ccc(N)cc1)N(C(=O)c1cccc(Br)c1)CC2 96906944 VRFFTZLYTSXVTG-JOCHJYFZSA-N 497.389 4.867 10 1 JJCF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@H](c3cc(OCc4ccccc4)ccc3O)N12 962666151 MHIJLOKCUJQLDJ-LEAFIULHSA-N 454.526 4.707 10 1 JJCF Cc1cc(C(=O)c2cc(Cl)ccc2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc[n+]1[O-] 38801708 ZTNLUDSKAPDYEE-UHFFFAOYSA-N 458.967 4.611 10 1 JJCF COc1cc([C@@H]2CC(=O)c3c(O)cc(O)c(C/C=C(\C)CCCC(C)(C)O)c3O2)cc(O)c1O 473133387 ZGYDLABOCFSTCH-MYHKYFONSA-N 472.534 4.654 10 1 JJCF CC1(c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3C(=O)c3ccccn3)cc2)CCOCC1 113625924 XFAMXEZYVPBVMI-UHFFFAOYSA-N 470.978 4.835 10 1 JJCF CN(C)c1ccc([C@H](CC(=O)c2cc3ccccc3oc2=O)Nc2ccc(C(=O)O)cc2)cc1 103168472 MVVMLAMNFFOCTF-QHCPKHFHSA-N 456.498 4.983 10 1 JJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(O)c(O)c([N+](=O)[O-])c2)(c2ccccc2F)N1 587729647 WJFIRAGDMBDOHN-RKFFSXRUSA-N 491.288 4.873 10 1 JJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](C(=O)O)N3)N1 587792031 KUKQLOZRJBDEQZ-LNYJWUJRSA-N 471.370 4.924 10 1 JJCF CN1CCc2c(Br)cccc2[C@@H]1c1ccc(Cl)c(I)c1O 963289896 RGXJQAOXUHWHCO-OAHLLOKOSA-N 478.555 4.990 10 1 JJCF COc1cc(Cn2cc(-c3ccc(O)c(O)c3)c(-c3ccc(O)c(O)c3)c2)cc(OC)c1OC 1772654213 DWJQDWNNTKRJCT-UHFFFAOYSA-N 463.486 4.719 10 1 JJCF Oc1ccccc1[C@H]1C=C(c2ccc3c(c2)OCO3)N[C@@H](c2ccc(F)c(Br)c2)N1 2936921 KVUIWDVVORHZSS-AUSIDOKSSA-N 469.310 4.996 10 1 JJCF CCOC(=O)/C=C1/SC(N2N=C(c3cc4ccccc4o3)C[C@H]2c2ccc(OC)cc2)=NC1=O 1857756598 WQUIDWAHPSVQQN-KWJZBXMYSA-N 475.526 4.669 10 1 JJCF NCc1ccccc1-c1ccc(C(=O)N2N=C(c3cncc(N)c3)C[C@H]2c2c(O)cccc2F)s1 71335161 XJXZYNPPFGRNGY-NRFANRHFSA-N 487.560 4.687 10 1 JJCF Cc1ccc(N2CCN(CC(=O)N[C@@H]3c4c(O)c(C)cc(C)c4CC3(C)C)CC2)cc1Cl 26171234 LNTPLYIYFNDUKU-RUZDIDTESA-N 456.030 4.533 10 1 JJCF CCCCCc1ccc(S(=O)(=O)Nc2cc(Sc3nnn[nH]3)c(O)c3ccccc23)cc1 84655547 LHAOQUMDPXFWML-UHFFFAOYSA-N 469.592 4.743 10 1 JJCF COc1cc(CCC(=O)C[C@H](O)C[C@@H](CCc2ccccc2)c2cc(O)c(O)c(OC)c2)ccc1O 2356769739 MFISMLYDFCARTL-ZJSXRUAMSA-N 494.584 4.880 10 1 JJCF CCOc1ccccc1[C@@](N)(c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)C(F)(F)F 587093408 UCYKYLWJIZXISE-XMMPIXPASA-N 465.431 4.502 10 1 JJCF CC1(C)CCC[C@]2(COC(=O)C=Cc3ccc(O)c(O)c3)[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@@](O)(CO)C3 2356856640 SCIXGQOSKNXPSL-BFKQCSABSA-N 484.633 4.791 10 1 JJCF COC(=O)c1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1N1CCCCC1 587764071 BSANFZMIYSAEIC-JLCFBVMHSA-N 461.375 4.989 10 1 JJCF CCc1nc(N)nc(N)c1-c1ccc(Cl)c(/N=N/N(CCOC(C)=O)Cc2ccc(OC)cc2)c1 13863489 AEGAAJWWFHYDIH-NVQSTNCTSA-N 497.987 4.596 10 1 JJCF CNc1ccc(NC)c2c1C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587581063 UXZCXJQFWRQTPC-ABYGYWHVSA-N 478.504 4.925 10 1 JJCF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](COc2ccccc2C(=O)O)(c2ccc(O)cc2O)N1 962947070 MVBVXGFJYQXHJZ-OQRWROFFSA-N 458.514 4.524 10 1 JJCF C[C@@]1(c2c(O)cccc2Br)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963186426 VFXKVMDVJCZLFF-SUMWQHHRSA-N 464.665 4.689 10 1 JJCF COCCN1C(=CC=C2C=Nc3ccccc32)N(Cc2ccccc2)[C@@H]2C(=O)c3ccccc3C(=O)[C@H]21 1857537751 NGSXTWIWHPCJHQ-VMPREFPWSA-N 489.575 4.908 10 1 JJCF CCOC(=O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 29130865 WXNRXUHWSQQHIN-XIDKLXSXSA-N 476.417 4.825 10 1 JJCF O[C@H](CNCCc1ccc(Cl)cc1)COc1ccc2c(c1)CCCN2Cc1ccccc1 45484635 VTNXMPOTIWQQSZ-RUZDIDTESA-N 451.010 4.865 10 1 JJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)c(F)c(F)c2O)N1 587714553 ALVBYJRRBCSTTM-XHLQUELWSA-N 451.080 4.958 10 1 JJCF Cc1ccnc(N2CCN(CC[C@@H]3Cn4c(-c5ccc(O)c(O)c5)c(C)c5cccc(c54)O3)CC2)c1 26469675 RCVLKQGNIYPKGH-JOCHJYFZSA-N 484.600 4.705 10 1 JJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(I)cc2O)N1 587739067 SWKMTYKSSADVGT-PWJLMRLQSA-N 462.100 4.522 10 1 JJCF CCOC(=O)C(=O)c1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2ccc(C(F)(F)F)cc2)c1C 13643733 RZOQNKVXMAFZAI-UHFFFAOYSA-N 479.476 4.621 10 1 JJCF CC1=NN(c2ccc(Br)cc2Br)C(=O)/C1=C(\C)NCc1ccccc1 33359797 KHINPNSXFQWPCD-LDADJPATSA-N 463.173 4.998 10 1 JJCF O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCC(F)CC2)cc1 1772618448 FOCMVPDGQWWNHI-NDEPHWFRSA-N 491.513 4.716 10 1 JJCF O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(O)c(O)c21 587353181 MJMYQPKHIHCUJG-YWEHKCAJSA-N 468.436 4.790 10 1 JJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\c2cc(O)cc(O)c2)(c2ccc(O)cc2O)N1 587819980 CJPKZLSNISTWLX-BUDGPWOFSA-N 486.337 4.902 10 1 JJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCc2ccc(O)cc2)(c2c(O)cc(O)cc2O)N1 587822941 RUOGEFGSUMBNKH-RZFZLAGVSA-N 488.353 4.821 10 1 JJCF Cc1c(O)cc2c(c1O)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)c1ccccc1C2=O 587832023 IXJNXVAEZAZOMO-BUBHHJDNSA-N 468.322 4.678 10 1 JJCF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@@H](c2ccc(O)c(O)c2)Oc2ccc(C)cc21 587479855 JRXJWCNWZWOCJV-SQHAQQRYSA-N 460.482 4.628 10 1 JJCF CC1(C)O[C@H]2c3ccccc3C(=O)C(=O)[C@H]2[C@@H]1Nc1ccc(Br)cc1Br 45300838 WSVMBURZMWMWQM-MNEFBYGVSA-N 479.168 4.924 10 1 JJCF Cc1ccc([C@]2(c3cc(O)c(O)c([N+](=O)[O-])c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587573820 DFCVGJKGZJNCOX-YIXXDRMTSA-N 485.448 4.925 10 1 JJCF Cc1ccc(S(=O)(=O)Oc2ccc(NCc3ccc(N)cc3)c3c2C(=O)c2ccccc2C3=O)cc1 96938918 UQQBCSKXPYCROR-UHFFFAOYSA-N 498.560 4.732 10 1 JJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]1)[C@@H]1CC=C[C@H]21 587277516 XMIODVUHHSQMIC-KSMMKXTCSA-N 478.452 4.900 10 1 JJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(O)c(O)c([N+](=O)[O-])c2)(c2ccccc2F)N1 587729648 WJFIRAGDMBDOHN-SAHAZLINSA-N 491.288 4.873 10 1 JJCF Cc1c(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc(Br)cc1[N+](=O)[O-] 586979487 DGSZSNQHPXKHMX-UHFFFAOYSA-N 462.259 4.984 10 1 JJCF CN1CC[C@H](CNC(=O)c2ccncc2Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)C1 1857541069 HOOQIXYPPUPSGW-LJQANCHMSA-N 491.599 4.609 10 1 JJCF CC[C@@H]1CN2CCc3cc(OC)c(OC)c(O)c3[C@H]2C[C@H]1CC1=NCCc2cc(O)c(OC)cc21 2356596278 DXPFGVRAUALPBT-ZWDAVXSWSA-N 480.605 4.504 10 1 JJCF Nc1ccc(Oc2ccc3nc(-c4cc(S(=O)(=O)N5CCC5)ccc4Cl)[nH]c3c2)cc1 586955753 VJRDTEWDEXMMHJ-UHFFFAOYSA-N 454.939 4.652 10 1 JJCF CCN1CCN(c2ccc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2F)CC1 587725695 RNDZJVLWVKGODH-WNSKOXEYSA-N 464.398 4.667 10 1 JJCF O=C(Oc1cccc(C/N=N/c2nc(Nc3ccccc3)nc(N3CCOCC3)n2)c1)c1ccco1 169689459 IEDBTEOEBJMJHT-GKPLWNPISA-N 485.504 4.548 10 1 JJCF C[C@]1(c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](C(=O)O)N3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587598494 XXTDSOGINVGLKC-XXKKOWSHSA-N 469.493 4.808 10 1 JJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](C(=O)O)N3)N1 587793725 KUKQLOZRJBDEQZ-CKZRJVBBSA-N 471.370 4.924 10 1 JJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCN(C)CC3)cc2Cl)N1 587693801 KFBIPDKXRSTBKA-LRTDBIEQSA-N 452.799 4.617 10 1 JJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(I)ccc2O)N1 587740160 WWGNQQJVVWTOLW-ZKANADHPSA-N 462.100 4.522 10 1 JJCF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@H]1CCOCCOCCOCCN=[N+]=[N-] 961782721 ZNTCIBCEMQHOIJ-QFIPXVFZSA-N 489.617 4.629 10 1 JJCF CCOC(=O)CCC[C@@]1(c2ccc(N(CC)CC)cc2)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963023946 JFDVGJHBWIQIJQ-MMTVBGGISA-N 463.622 4.563 10 1 JJCF COC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3ccc(N(C)C(C)=O)cc3)c2C)cc1 208400717 NADNOPSVGHDFRP-UHFFFAOYSA-N 450.560 4.838 10 1 JJCF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2cc(C)ccc2O[C@H]1c1ccc(O)c(O)c1 587477221 DXIBZYBXELBXKA-SVBPBHIXSA-N 460.482 4.785 10 1 JJCF COC(=O)C1CCN(c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)CC1 587769710 PCRDHLWXDDJZFU-FPTDNZKUSA-N 461.375 4.601 10 1 JJCF Nc1cncc(C2=NN(C(=O)c3ccc(-c4ccccn4)s3)[C@H](c3c(O)cccc3F)C2)c1 71335082 UFIWUHFXVKKRTO-IBGZPJMESA-N 459.506 4.624 10 1 JJCF COc1ccc(F)c(N2CC[C@H](COc3ccc(N4C[C@H](C(F)(F)F)C[C@@H]4CC(=O)O)cc3)C2)c1 213713201 UCQVDWCTFVSWTD-YQVWRLOYSA-N 496.501 4.972 10 1 JJCF COc1ccc(F)c(N2CC[C@@H](COc3ccc(N4C[C@H](C(F)(F)F)C[C@@H]4CC(=O)O)cc3)C2)c1 213713266 UCQVDWCTFVSWTD-ZHALLVOQSA-N 496.501 4.972 10 1 JJCF Cc1nn(Cc2ccccc2-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c(C)c1[N+](=O)[O-] 587268010 VQFLTQGPDZZGKD-UHFFFAOYSA-N 477.480 4.775 10 1 JJCF CCN(CC)S(=O)(=O)c1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@H]43)[nH]c2c1 587276086 IXMIIFDVSQABBK-PMAPCBKXSA-N 481.578 4.637 10 1 JJCF CN1c2ccc(OC(=O)NCCCCCCN3CCCC3)cc2CN2CCc3ccccc3[C@@H]21 1857615679 ZJLQVNQXVJLIGI-HHHXNRCGSA-N 462.638 4.938 10 1 JJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2)(c2c(O)cc(O)cc2O)N1 587821860 KGGZTQBXOHWDJE-ZAMGYDSWSA-N 458.327 4.726 10 1 JJCF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@@H](c2c(Cl)ccc(Br)c2O)N1 962708876 LBCPJBUGNVKKKS-JSGCOSHPSA-N 468.628 4.654 10 1 JJCF Cc1cccc(Oc2c(/C=C3\SC(=S)N(CC(=O)O)C3=O)c(C)nn2-c2ccccc2)c1 95582783 VUNIYFGWSJYPOC-UNOMPAQXSA-N 465.556 4.567 10 1 JJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2cc(O)cc(O)c2)(c2ccc(O)cc2O)N1 587819983 CJPKZLSNISTWLX-HLHFFSRFSA-N 486.337 4.902 10 1 JJCF Cc1ccc(N2C(=O)C3(CCCC3)C(=O)N2Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)cc1 13809147 VRAOAOLBLVQLSK-UHFFFAOYSA-N 478.556 4.693 10 1 JJCF COc1ccc(NCCCCNC(=O)OCc2ccccc2)c2c1C(=O)c1ccccc1C2=O 28770771 IMRXJUMUTSEHEA-UHFFFAOYSA-N 458.514 4.589 10 1 JJCF COC(=O)c1cccc(-c2cccc([C@@H]3N[C@H](C(=O)C(F)(F)F)Cc4ccccc43)c2O)c1 962704530 CVAPLNWEXYFTJQ-LEWJYISDSA-N 455.432 4.581 10 1 JJCF CC[C@@H]1CN2CCc3cc(OC)c(OC)c(O)c3[C@@H]2C[C@@H]1CC1=NCCc2cc(O)c(OC)cc21 2356596277 DXPFGVRAUALPBT-WVBUVRCRSA-N 480.605 4.504 10 1 JJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(O)c(O)c([N+](=O)[O-])c2)(c2ccccc2F)N1 587725170 BVPPUQPRHUOILF-KPWVOAKYSA-N 491.288 4.873 10 1 JJCF Cn1cc(NC(=O)c2ccncc2Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)cn1 1857564501 MXRFFNYLFKXZHZ-UHFFFAOYSA-N 474.528 4.913 10 1 JJCF COc1c(Br)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1OC 587673627 OVGBFLANCQGCLS-ANRSDYALSA-N 475.152 4.697 10 1 JJCF CN1C[C@H](c2ccc(Br)cc2)[C@]2(Cc3ccccc3C2=O)C12C(=O)c1ccccc1C2=O 84726135 DPPLSMDCPQEEMG-GJZUVCINSA-N 486.365 4.722 10 1 JJCF COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccsc2)c(C)c1 95598565 XWQBIIBZDYCUQS-HDICACEKSA-N 471.648 4.720 10 1 JJCF Nc1ccc(Oc2ccc3nc(Cn4nnc(-c5ccc(C(F)(F)F)cc5)n4)[nH]c3c2)cc1 587111126 ANYVUFPIMLVOLL-UHFFFAOYSA-N 451.412 4.658 10 1 JJCF Nc1c(S(=O)(=O)O)cc(Nc2ccc(Nc3ccccc3)cc2)c2c1C(=O)c1ccccc1C2=O 29130725 SLKPUOMONGLJQP-UHFFFAOYSA-N 485.521 4.778 10 1 JJCF CN1c2ccc(OC(=O)NCCCN3CCc4ccccc4C3)cc2CN2CCc3ccccc3[C@H]21 1857600481 BFDIFFSPLPFVDX-LJAQVGFWSA-N 482.628 4.730 10 1 JJCF O=C(COc1ccccc1)N[C@H](c1ccccc1[N+](=O)[O-])c1cc(Cl)c2cccnc2c1O 40412050 SCOSGHHZRROAJY-JOCHJYFZSA-N 463.877 4.787 10 1 JJCF [N-]=[N+]=NCCCCCCc1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 587260649 XWEYLPNUFSSEBU-UHFFFAOYSA-N 485.531 4.899 10 1 JJCF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@H](c2ccc(O)c(O)c2)Oc2ccc(C)cc21 587479844 JRXJWCNWZWOCJV-IGKIAQTJSA-N 460.482 4.628 10 1 JJCF CC(C)CNC(=O)c1cccc2nc(-c3ccc(COC(=O)Cc4ccc(O)c(O)c4)cc3)oc12 653818517 AVRVWIDDMFUZEF-UHFFFAOYSA-N 474.513 4.578 10 1 JJCF CC(=O)c1ccc2c(c1)[C@@H](c1ccc(N(C)C)cc1C)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962632630 UIFWYELWWVPRDD-XZOQPEGZSA-N 452.551 4.599 10 1 JJCF COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1cc2cc(Cl)ccc2s1 95598567 XEIVAKLEBXGOHA-OKILXGFUSA-N 466.028 4.551 10 1 JJCF COc1ccc2c(c1OC)[C@](c1ccccc1)(c1ccc(N3CCOCC3)cc1)N(C)[C@H](C)C2 962625171 LQCDUQXRUFLPCM-PBBNMVCDSA-N 458.602 4.709 10 1 JJCF O=C(Nc1ccc(CCS(=O)(=O)/C=C/c2ccc(O)c(O)c2)cc1)C12CC3CC(CC(C3)C1)C2 1857644024 RZRMPBURXSCATQ-CSKARUKUSA-N 481.614 4.881 10 1 JJCF CN(CC(=O)N[C@@H](c1cccc([N+](=O)[O-])c1)c1cc(Cl)c2cccnc2c1O)c1ccccc1 40898530 CBUQIOYQSSZVDA-QHCPKHFHSA-N 476.920 4.844 10 1 JJCF CC(=O)Nc1nc(C(=O)N[C@@H](C)c2ccc(C3CN(c4ccc(OCC5CC5)cc4)C3)cc2)co1 149932620 HJUVMMNDJUTTSU-KRWDZBQOSA-N 474.561 4.517 10 1 JJCF CC1(C)CCC[C@]2(COC(=O)C=Cc3ccc(O)c(O)c3)[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@](O)(CO)C3 2356856642 SCIXGQOSKNXPSL-BTVXJCHUSA-N 484.633 4.791 10 1 JJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]1)[C@H]1CC=C[C@H]21 587277518 XMIODVUHHSQMIC-NJSLBKSFSA-N 478.452 4.900 10 1 JJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCOCC3)c(Br)c2)N1 587677178 JTDRCKCIFNDDLZ-MPBGBICISA-N 484.207 4.811 10 1 JJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(c3ccc(O)cc3)Oc3cc(O)cc(O)c32)N1 587837204 DHLPSFGANGIKEE-MCFWBGNESA-N 484.321 4.916 10 1 JJCF Oc1cc(O)cc(Oc2cc3c(c(O)c2O)Oc2cc(O)c(Oc4cc(O)cc(O)c4)c(O)c2O3)c1 238740722 RBXIFDNYAQUPKF-UHFFFAOYSA-N 496.380 4.814 10 1 JJCF CC(=O)C[C@]1(c2cc(Br)ccc2O)N[C@H](C)Cc2cc(Br)c(F)cc21 587680318 PJFBEGHSYXOOIE-DGIBIBHMSA-N 471.164 4.813 10 1 JJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)c(F)c(F)c2O)N1 587720652 NTQNVRJOKNRFRB-BAHMLBHCSA-N 451.080 4.958 10 1 JJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCC4(CC3)OCCO4)cc2)N1 587766417 NHMBSWZVNQMGQE-OYHNWAKOSA-N 461.375 4.555 10 1 JJCF COc1ccc([C@@]2(c3ccccc3C(=O)O)NC3(CC3)Cc3ccc(Br)cc32)c(O)c1 961611707 CVJCUPUUFLRNRP-RUZDIDTESA-N 480.358 4.832 10 1 JJCF Cc1cc(F)ccc1Cn1ccc2c(NS(C)(=O)=O)cc(-c3cn(C)c4c(O)nccc34)cc21 1911575230 DFOCKLSMEOOSNI-UHFFFAOYSA-N 478.549 4.768 10 1 JJCF CN(C)c1c(/C=C2\C(=O)Nc3ccccc32)cc(/C=C2/C(=O)Nc3ccccc32)c(N(C)C)c1C#N 33402195 RIKWCGVIQBPOQS-BILXGNRESA-N 475.552 4.676 10 1 JJCF COc1cc2c(c(O)c1OC/C=C(\C)CC/C=C(\C)CC[C@H](O)C(C)(C)Cl)CNC2=O 214678521 JKLCERLINKCBEF-SHUIUCSMSA-N 451.991 4.854 10 1 JJCF COc1ccc(C[C@@]2(c3c(O)cc(O)cc3O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587809880 RJOSLSWFEBMZHR-RKNYENMMSA-N 488.353 4.734 10 1 JJCF COc1ccc(C[C@@]2(c3c(O)cc(OC)cc3OC)NCCc3cc4cccc(OC)c4nc32)cc1 963049153 ANAKCJJRSFFVLD-LJAQVGFWSA-N 486.568 4.607 10 1 JJCF Cc1cc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]([C@@H](O)CC(=O)O)N2C(=O)OC(C)(C)C)ccc1N(C)C 963069252 SMIWCRMKNUMLCQ-JCYRPKCISA-N 493.604 4.629 10 1 JJCF COc1cc(I)cc([C@H]2NCCc3c(Cl)cc(Cl)cc32)c1O 963108419 OCWSSGBEXRPGFR-HNNXBMFYSA-N 450.103 4.547 10 1 JJCF Cc1cc([C@@H]2c3scnc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)c(C)n1-c1cccc([N+](=O)[O-])c1 963152207 YYVZPFIWFDUCNG-VQTJNVASSA-N 498.561 4.795 10 1 JJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(O)c(O)c([N+](=O)[O-])c2)(c2ccccc2F)N1 587725176 BVPPUQPRHUOILF-RKFFSXRUSA-N 491.288 4.873 10 1 JJCF Cc1cc(C)c2c(c1O)[C@@H](NC(=O)CN1CCN(c3cc(Cl)cc(Cl)c3)CC1)C(C)(C)C2 26159089 BLNGWPPSNPVYKG-XMMPIXPASA-N 476.448 4.878 10 1 JJCF CCOC(=O)[C@H](OCC)c1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2cccc(F)c2)c1C 40955952 ASPRDSYVTZWITC-HSZRJFAPSA-N 459.539 4.636 10 1 JJCF COc1ccc(C2(c3ccc(OC)cc3O)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587810632 UAMJFGMDDRKWEO-CYBMUJFWSA-N 488.353 4.843 10 1 JJCF COc1cccc2c1Oc1cc(O)cc(O)c1[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587839755 GOPNFGKOIZLQBB-BGJPBQGDSA-N 472.310 4.940 10 1 JJCF CN1C=CC(=CN=NC(=O)c2ccc3ccc(C(=O)N=NC=C4C=CN(C)C=C4)nc3n2)C=C1 1857616502 NRFDKHREASBIOO-UHFFFAOYSA-N 452.478 4.528 10 1 JJCF CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 40935546 DECFAWZERNPQOF-BOPFTXTBSA-N 450.834 4.803 10 1 JJCF Cc1ccc2c(c1)C(=O)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)[C@@H](c1ccc(O)c(O)c1)O2 587618930 VOFVXMAIXJYFPF-USOMCTOXSA-N 496.471 4.829 10 1 JJCF CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1cc(Br)cc(Br)c1O 95562812 AZFIFXZDAIBRQM-MRXNPFEDSA-N 456.109 4.754 10 1 JJCF CC1=NN(S(=O)(=O)c2ccc(C)cc2)[C@@H](c2cc(Br)cc(Br)c2O)C1 653730363 YCYIKAPYYCLFHW-MRXNPFEDSA-N 488.201 4.737 10 1 JJCF CC1(C)CCC[C@@]2(COC(=O)C=Cc3ccc(O)c(O)c3)[C@H]3CC[C@@H]4C[C@@]3(CC[C@H]12)C[C@@]4(O)CO 2356856643 SCIXGQOSKNXPSL-MHZZBTHTSA-N 484.633 4.791 10 1 JJCF NCc1ccccc1-c1ccc(C(=O)N2N=C(c3cccnc3)C[C@@H]2c2ccccc2O)s1 71333504 ZHTGLEKJMOFFQV-JOCHJYFZSA-N 454.555 4.966 10 1 JJCF O=C(N[C@@H](c1ccccc1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)c1ccccc1 587222966 MRSOYEUGFCKXIL-DEOSSOPVSA-N 457.489 4.858 10 1 JJCF CCN(CCNC(=O)[C@@H](N)CC(C)C)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O 45289510 SBSLHBKEUURSBV-QFIPXVFZSA-N 484.044 4.649 10 1 JJCF COc1cc(CC[C@H]2C[C@@H](OC(C)=O)C[C@@H](c3cc(O)c(O)c(OC4CCCC4)c3)O2)ccc1O 85597285 KDRVFDQLTPBYHV-IMSXRSKXSA-N 486.561 4.918 10 1 JJCF biogenic,in-vitro COc1cc([C@H]2CC(c3cc4ccccc4o3)=NN2C(=O)Nc2ccc(O)c(O)c2)ccc1O 84711652 DWZUMOIWKBOAPW-GOSISDBHSA-N 459.458 4.941 10 1 JJCF CN1CCN(c2ccc(CNc3ccc4ncc(-c5cccc(OC(F)(F)F)c5)n4n3)cc2)CC1 45229212 VKASASQBXALFGN-UHFFFAOYSA-N 482.510 4.659 10 1 JJCF Cc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(=O)[C@@H](c1ccc(O)c(O)c1)O2 587616804 MBHWMZGSZKZRTJ-WOEHHYBBSA-N 496.471 4.672 10 1 JJCF CC(C)(C)OC(=O)N1[C@@H](c2cc(OCc3ccccc3)ccc2O)c2scnc2C[C@@H]1C(=O)O 963148268 PMCLJBXFJPHJDB-CTNGQTDRSA-N 482.558 4.764 10 1 JJCF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@H](c2cc(Br)c(F)c(F)c2O)N1 963177673 DISXXOXXYNKUAL-BXUZGUMPSA-N 486.618 4.793 10 1 JJCF C[C@]1(c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](C(=O)O)N3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587598491 XXTDSOGINVGLKC-XRQKCCDGSA-N 469.493 4.808 10 1 JJCF CC(C)Nc1ccc(NC(C)C)c2c1C(=O)c1ccccc1[C@@]21NCCc2nc3ccccn3c21 962987534 NEZJJYMZRNHXRK-GDLZYMKVSA-N 465.601 4.957 10 1 JJCF CCCc1c(O)ccc2c1O[C@@H](c1c(C)n(C[C@H](O)CN3CCCC3)c3ccccc13)CC2=O 587474737 JHFQRCIVUDOUBD-NIYFSFCBSA-N 462.590 4.771 10 1 JJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])cc(Br)c2O)N1 587676669 IIPJQSJFCDPREE-ZIDLFYJRSA-N 460.097 4.588 10 1 JJCF COc1ccc(F)c(N2CC[C@@H](Oc3ccc(N4C[C@H](C(F)(F)F)C[C@@H]4CC(=O)O)cc3)C2)c1 213575334 OBVSRFRVALTZDS-WRWLIDTKSA-N 482.474 4.724 10 1 JJCF Nc1c(S(=O)(=O)O)cc(Nc2cccc(Oc3ccccc3)c2)c2c1C(=O)c1ccccc1C2=O 66079289 NXKNDRXWYZQKPE-UHFFFAOYSA-N 486.505 4.827 10 1 JJCF CC1=NN(C(=O)CSc2ccccn2)[C@@H](c2cc(Br)cc(Br)c2O)C1 103267767 MBILGFUKFLNEEH-CQSZACIVSA-N 485.201 4.754 10 1 JJCF CO[C@@]12C(=O)c3ccccc3C(=O)[C@@H]1C(c1ccc(OC(C)=O)c3ncccc13)=C2[Si](C)(C)C 205838787 IKFBIYTUJGKXMM-WXVAWEFUSA-N 471.585 4.885 10 1 JJCF COc1ccc([C@@]2(c3ccccc3O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587811940 YAHBMODDESVMSM-ZAMGYDSWSA-N 458.327 4.834 10 1 JJCF CCOC(=O)Cn1c(C)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 587574892 CNLCTOWPXHKELG-SQHAQQRYSA-N 457.482 4.921 10 1 JJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCN(C)CC3)c(Br)c2)N1 587675328 BJGFVGZFEJZWGU-LRTDBIEQSA-N 497.250 4.726 10 1 JJCF COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cccs2)cc1F 29125000 AMRSNVKLFBUABO-IYBDPMFKSA-N 475.611 4.550 10 1 JJCF Cc1cc(O)c2c(c1)C(=O)c1cccc(O)c1[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587835120 VCFBPPNVBWULPK-FNODVLLQSA-N 468.322 4.678 10 1 JJCF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)c1ccccc1O[C@@H]2c1ccc(O)c(O)c1 587618264 SXCBPPBXTPRTSL-MLKSZZLFSA-N 482.444 4.520 10 1 JJCF CC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1cc(Br)cc(Br)c1O 95560003 XSCGLAQKVFBOKH-QGZVFWFLSA-N 452.146 4.923 10 1 JJCF COc1ccc(CN2CCC[C@@H](N3CC4(OC3=O)c3ccccc3-c3ccccc34)C2)c(O)c1 45335359 BSCQMZBETWLNRD-HXUWFJFHSA-N 456.542 4.742 10 1 JJCF COc1ccc([C@@H]2CN(C)C3(C(=O)c4ccccc4C3=O)[C@]23CCc2c([nH]c4ccccc24)C3=O)cc1 40898850 CZLIZQCAXLLZGS-QABMSTFYSA-N 490.559 4.839 10 1 JJCF O=C(Nc1cc(Cl)ccc1C(=O)O)c1ccc2c(c1)C(=O)N(CCCCc1ccccc1)C2=O 49793156 WNVSHRNBSGPDHY-UHFFFAOYSA-N 476.916 4.909 10 1 JJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCOCC3)c(Br)c2)N1 587675440 BLKLXBZIEFBOJL-LRTDBIEQSA-N 498.234 4.985 10 1 JJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](C(=O)O)N3)N1 587794699 PIIRWFXVCWCAAV-YUIUWENYSA-N 471.370 4.924 10 1 JJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(c3ccccc3)Oc3cc(O)c(O)c(O)c32)N1 587837422 GUDUCCPYJAOOQK-YYUOZPCZSA-N 484.321 4.916 10 1 JJCF CN(C)C(=O)c1ccc2c(c1)[C@]1(NCC2)c2cc(Cl)cc(Cl)c2Oc2cc(O)cc(O)c21 962934169 VJCBUJADYMCUQF-DEOSSOPVSA-N 471.340 4.650 10 1 JJCF COc1cc(N)c(I)cc1-c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587178904 OBVMUKUMXRKIPX-UHFFFAOYSA-N 472.286 4.800 10 1 JJCF CNc1ccc(Br)c2c1C(=O)c1ccccc1[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587416947 GTDIGNVTSLTTKU-PUAOIOHZSA-N 476.326 4.735 10 1 JJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3[nH]c(O)nc(NCc4ccccc4)c-3n1)[C@H]1CC=C[C@@H]21 587277600 ZFFBBVDAXVTGQJ-UWVAXJGDSA-N 469.505 4.665 10 1 JJCF CC(=O)N1CCN(c2ccc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2Cl)CC1 587696084 PEPGRKVMPLVKFH-QKFKETGDSA-N 494.836 4.708 10 1 JJCF COc1ccc([C@]2(c3ccccc3O)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587811943 YAHBMODDESVMSM-ZLOXQWCVSA-N 458.327 4.834 10 1 JJCF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@]2(C)C1C(=O)c2ccccc2C1=O 963915508 NZGRTKDLEBSENH-CRYYWNKWSA-N 463.530 4.542 10 1 JJCF CS(=O)(=O)N1CCN(c2ccc(/C=C/c3cc(Cl)cc(-c4ccncc4)c3)cc2)CC1 1857752132 AVWREOYQZOIFMB-NSCUHMNNSA-N 453.995 4.654 10 1 JJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(I)c2O)N1 587738126 KEWKLNTWCXORLW-ANRSDYALSA-N 462.100 4.522 10 1 JJCF C[C@H]1C[C@@H](C)CN(C(=O)c2cc(Br)ccc2NC(=O)NCc2ccc(N(C)C)cc2)C1 29044061 BZDPJFUSQUKRPG-CALCHBBNSA-N 487.442 4.955 10 1 JJCF CCCc1nc(-c2nc3c4c(ccc3[nH]2)C(=O)c2ccccc2C4=O)nn1-c1ccccc1F 587154997 IDLVYIURCHUNMN-UHFFFAOYSA-N 451.461 4.678 10 1 JJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](C(=O)O)N3)N1 587794693 PIIRWFXVCWCAAV-BGJHOLMSSA-N 471.370 4.924 10 1 JJCF CNC(=O)c1ccc(Cl)c2c(Nc3ccc(NS(C)(=O)=O)cc3NC)c3ccccc3nc12 29472315 FTWSWGZORMQUSO-UHFFFAOYSA-N 483.981 4.558 10 1 JJCF Cc1nc2ccccc2n1CC(=O)N(c1ccc(N)cc1)[C@@H](C(=O)NC(C)(C)C)c1ccsc1 140325746 LZWVDHPGVGYCOZ-XMMPIXPASA-N 475.618 4.678 10 1 JJCF COc1cc2c3c(c1)O[C@@H](c1c(C)n(CC(=O)N4CCCC[C@@H]4C)c4ccccc14)[C@@H](C2)C3=O 587440379 YYBLQKNUVIMTMK-AQCGVQKASA-N 458.558 4.848 10 1 JJCF CN1CCc2c(Br)cccc2[C@]1(C)c1ccc(N2CCOCC2)c(Br)c1 963280151 NFLFLTPVERZPOF-NRFANRHFSA-N 480.244 4.800 10 1 JJCF C[N+](C)(C)c1ccc(CNC(=O)c2c(Cl)c3ccccc3n2Cc2cccc(C(=N)N)c2)cc1 13474294 POFFSHVKVGVVRB-UHFFFAOYSA-O 475.016 4.754 10 1 JJCF CC(C)(C)c1ccc(-n2nc(N)c(/N=N/c3c(O)cc(S(=O)(=O)O)c4ccccc34)c2O)cc1 13864620 RKXXXOHSRSUUPT-OCEACIFDSA-N 481.534 4.979 10 1 JJCF CCOC(=O)c1cc2c(Cn3ccnc3)c(O)c(OC)cc2nc1CSc1cccc(OC)c1 40981165 CAIXTFHWYUTIDZ-UHFFFAOYSA-N 479.558 4.671 10 1 JJCF COc1cc2c(cc1OC)[C@@](c1ccc(C)cc1O)(C(F)(F)F)N(C(=O)c1ccccc1N)CC2 963134111 BGTZBXWLNCWKCD-VWLOTQADSA-N 486.490 4.804 10 1 JJCF CN(C)c1ccc(CN2CCC(NC(=O)c3ccc(-c4ccc(N(C)C)cc4)s3)CC2)cc1 45201829 LJSZDABHPXVBKX-UHFFFAOYSA-N 462.663 4.942 10 1 JJCF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)cc2N1 587126191 XARFNHJWVSYCPD-HWPZZCPQSA-N 451.408 4.509 10 1 JJCF Cc1cc([C@H]2c3scnc3C[C@H](C(=O)O)N2C(=O)OC(C)(C)C)c(C)n1-c1cccc([N+](=O)[O-])c1 963152204 YYVZPFIWFDUCNG-UXHICEINSA-N 498.561 4.795 10 1 JJCF CC(C)n1cnc2c(N3CCc4ccc(O)cc4C34c3ncccc3-c3cccnc34)nc(Cl)nc21 963928326 KRBXPXIYYAMMRL-UHFFFAOYSA-N 495.974 4.891 10 1 JJCF COc1ccc2c(c1)[C@@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)c1c(O)cc(O)cc1O2 587837572 IQYOUHGASGFRSB-RULNZOCKSA-N 472.310 4.940 10 1 JJCF Cc1sc(N)nc1-c1ccc(CCN2CCN(c3nc4ccccc4nc3Cl)CC2)cc1 98082833 FFWDXQPAYFUDTR-UHFFFAOYSA-N 465.026 4.662 10 1 JJCF CN(C)CCN(C)c1ccc2cc(NC(=O)/C=C/c3ccc(OC(F)(F)F)cc3)ccc2n1 13671941 ZEWDAMHLQDFCAZ-AWNIVKPZSA-N 458.484 4.783 10 1 JJCF O=C(c1ccncc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 34208825 XJNWBZFDSDEBRN-UHFFFAOYSA-N 456.829 4.665 10 1 JJCF CN1CCN(c2ccc(/C=C/c3cccc(/C=C/c4ccc(N5CCN(C)CC5)cc4)n3)cc2)CC1 72118805 CKKJZCIHTLTTDZ-PWHKKFIBSA-N 479.672 4.926 10 1 JJCF CC1=NN(S(=O)(=O)c2ccc(Cl)cc2Cl)[C@H](c2cc(Br)ccc2O)C1 653745826 ZZIOCOTZAVYVEC-AWEZNQCLSA-N 464.168 4.973 10 1 JJCF COC(=O)C1CCN(c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)CC1 587771113 VLMUMSPCKLIRIN-PEBXRYMYSA-N 461.375 4.601 10 1 JJCF CN1CCc2c(Br)cccc2[C@@]1(C)c1ccc(N2CCOCC2)c(Br)c1 963280153 NFLFLTPVERZPOF-OAQYLSRUSA-N 480.244 4.800 10 1 JJCF COCCN1C(=CC=C2C=Nc3ccccc32)N(Cc2ccccc2)[C@H]2C(=O)c3ccccc3C(=O)[C@@H]21 1857537749 NGSXTWIWHPCJHQ-FQLXRVMXSA-N 489.575 4.908 10 1 JJCF CCCCOC(=O)Cc1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2ccc(OC)cc2)c1C 45337864 XJTVFCPDXSOSDU-UHFFFAOYSA-N 455.576 4.751 10 1 JJCF CC(=O)N1N=C(c2ccc(Nc3cc(=O)oc4ccccc34)cc2)C[C@@H]1c1ccc(O)cc1O 103184861 YYSOJCYWWLDLAO-HSZRJFAPSA-N 455.470 4.645 10 1 JJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(O)c(O)c([N+](=O)[O-])c2)(c2ccccc2F)N1 587729645 WJFIRAGDMBDOHN-KPWVOAKYSA-N 491.288 4.873 10 1 JJCF COc1ccc([C@@]2(c3ccc(Cl)cc3)N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c(O)c1 962973350 KHQXVTMOSHOLNT-WZONZLPQSA-N 480.294 4.877 10 1 JJCF O=C1c2ccc(O)cc2O[C@](c2ccc(O)cc2)(c2ccc(O)c(O)c2O)[C@H]1c1ccc(F)cc1 587357601 USFJQHRPONYTEI-WNCULLNHSA-N 474.440 4.656 10 1 JJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(I)ccc2O)N1 587740921 YWXZIVVIBUHBEM-HUTHGQBESA-N 476.127 4.696 10 1 JJCF COc1ccc2c(c1OC)[C@H](c1cc(Br)cc(Br)c1O)N(C)[C@@H](C)C2 962628099 GTFUNTCEADXGBH-BTDLBPIBSA-N 471.189 4.900 10 1 JJCF Nc1ccc(Oc2ccc3nc(Cc4csc(NC(=O)c5cccc(O)c5)n4)[nH]c3c2)cc1 587019557 NNLQXDBLTCNZQV-UHFFFAOYSA-N 457.515 4.943 10 1 JJCF COc1ccc(C2=NN(C(C)=O)[C@@H](c3ccc(N4CCN(Cc5ccccc5)CC4)cc3)C2)cc1 1857574107 LYRYRCUOKBXZHU-GDLZYMKVSA-N 468.601 4.715 10 1 JJCF CN1CCN(c2ccc(-c3nc(-c4ccc5c(c4)Cc4cn[nH]c4-5)c(-c4ccncc4)[nH]3)cc2)CC1 64510543 WKFRHTGMVITXBX-UHFFFAOYSA-N 473.584 4.852 10 1 JJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCC4(CC3)OCCO4)cc2)N1 587769148 XLDIJSCUXVNOLS-IVZQSRNASA-N 461.375 4.555 10 1 JJCF O=C1c2ccccc2C(=O)c2c(O)c([C@@H](O)C/C=C/c3cccc(Br)c3)cc(O)c21 653849075 KHGDSKPRATZDGZ-JXTAAOLFSA-N 465.299 4.773 10 1 JJCF CC(C)[C@@]1(C2C(=O)c3ccccc3C2=O)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963189489 WUUCBNQUIKORFD-HTAPYJJXSA-N 465.855 4.504 10 1 JJCF CO[C@H]1[C@H](NC(=O)c2ccco2)c2ccccc2C12CCN(Cc1cc(Cl)ccc1O)CC2 11973499 ANSXFLLKXANJKX-RPWUZVMVSA-N 466.965 4.672 10 1 JJCF CN1CCN(C(=O)c2ccc3nc4ccccc4c(NC4CCN(Cc5ccccc5)CC4)c3c2)CC1 28572098 KNAXVSSRSRJTTF-UHFFFAOYSA-N 493.655 4.852 10 1 JJCF COc1ccc(/C=C2\SC(=S)N(CCCC(=O)NC3C4CC5CC(C4)CC3C5)C2=O)cc1 95771721 DITVXJBNHDXAJY-STZFKDTASA-N 470.660 4.618 10 1 JJCF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3ccccc3CS(=O)(=O)c3ccccc3)[nH]c21 586921831 NWGWFXINJGSEPY-UHFFFAOYSA-N 478.529 4.979 10 1 JJCF COc1ccc2c(c1OC)[C@H](c1cc(Br)cc(Br)c1O)N(C)[C@H](C)C2 962628107 GTFUNTCEADXGBH-QGHHPUGFSA-N 471.189 4.900 10 1 JJCF COC(=O)c1ccccc1-n1c(C)cc([C@@H]2N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c1C 962965573 LIHXGDYMTFMQOS-AVRDEDQJSA-N 474.891 4.501 10 1 JJCF Cc1cc(OC[C@]2(c3ccc(O)cc3O)N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)ccc1Cl 963230146 LPBRMXVWGNCLRP-SHQCIBLASA-N 490.943 4.529 10 1 JJCF CCOc1ccc(-n2c(C)c3c(C)nnc(N4CCC5=C(C4)N[C@@H]4C=CC=C[C@H]54)c3c2C)cc1 101034434 TWLXCPIOYOMVNR-ISKFKSNPSA-N 453.590 4.923 10 1 JJCF CCc1cc(CC)cc(OCCOc2ccccc2/C=C2/C(=O)NN(c3ccccc3)C2=O)c1 103197449 ZLXQYZGZTPOCPM-PLRJNAJWSA-N 456.542 4.731 10 1 JJCF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@@H](c2ccc(O)c(O)c2)Oc2ccc(CC)cc21 587480016 KHZXGLYQKDFMMU-NAKRPHOHSA-N 474.509 4.882 10 1 JJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2cc(Br)ccc2O)N1 587675598 AKTKVTYPOOTIFD-APBUJDDRSA-N 487.163 4.699 10 1 JJCF COC(=O)c1ccccc1-n1c(C)cc([C@H]2N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c1C 962965576 LIHXGDYMTFMQOS-PGRDOPGGSA-N 474.891 4.501 10 1 JJCF COC(=O)[C@@H](C)c1ccc(-c2ccc(O)c(CN3CCN(Cc4ccccc4)CC3)c2)c(F)c1 1857540592 RLZOMOHMBCCCKE-FQEVSTJZSA-N 462.565 4.793 10 1 JJCF COc1cc(C(=O)c2cn(-c3ccc(N)cc3)cc2-c2cccc([N+](=O)[O-])c2)cc(OC)c1OC 1857542610 WOYUMHLEYBDRBU-UHFFFAOYSA-N 473.485 4.892 10 1 JJCF O=C(Cc1ccccc1)Oc1cccc2c1C(=O)c1cccc(OC(=O)Cc3ccccc3)c1C2=O 13558884 PYZZQBHZAFKQHT-UHFFFAOYSA-N 476.484 4.758 10 1 JJCF COc1ccc(C[C@H]2c3ccc(N4CCCC4)cc3CCN2CC(=O)NCc2ccccc2)cc1OC 473106989 ZQBZFOIICMRWGZ-NDEPHWFRSA-N 499.655 4.762 10 1 JJCF Cc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(=O)[C@H](c1ccc(O)c(O)c1)O2 587616701 MBHWMZGSZKZRTJ-JPZGVGIDSA-N 496.471 4.672 10 1 JJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)c(F)c(F)c2O)N1 587720656 NTQNVRJOKNRFRB-XHLQUELWSA-N 451.080 4.958 10 1 JJCF CCc1ccc(OC[C@]2(c3ccc(O)cc3O)N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1 962995804 OTYLIYISBKOKNJ-NBGIEHNGSA-N 489.902 4.513 10 1 JJCF Cc1cc(OC[C@@]2(c3ccc(O)cc3O)N[C@H](C(=O)O)Cc3c2cnc2ccccc32)ccc1Cl 963230142 LPBRMXVWGNCLRP-IGKIAQTJSA-N 490.943 4.529 10 1 JJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)cc([N+](=O)[O-])c2O)N1 587684273 YYUGAHWZDMQVEU-KWKYVRJSSA-N 460.097 4.588 10 1 JJCF O=C(O)C1CCN(c2ccc([C@@H]3c4ccccc4C[C@H]4CN(c5ccccc5)CCN43)cc2)CC1 962635450 IAKJELITIHDZFR-LMSSTIIKSA-N 467.613 4.824 10 1 JJCF CN1c2ccc(OC(=O)NCCCCCCn3ccnc3)cc2CN2CCc3ccccc3[C@H]21 1857558053 XMSZHCDGDDKYTG-SANMLTNESA-N 459.594 4.739 10 1 JJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(c3cc(O)c(O)c(O)c3)Oc3ccccc32)N1 587845167 ZDDAUHYSOIHVHF-YYUOZPCZSA-N 484.321 4.916 10 1 JJCF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@]2(N1)c1ccccc1Oc1cc(O)cc(O)c12 963180498 PWZDDLARFCXULM-RCDICMHDSA-N 477.822 4.767 10 1 JJCF COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cc(C)cs2)cc1F 95598582 JEQUVGKFJTVMBC-CALCHBBNSA-N 489.638 4.859 10 1 JJCF Cn1cccc1CN1CCc2sccc2[C@]12C(c1ccc(O)c(O)c1)=COc1cc(O)ccc12 962401230 WMYYYVHOJSDHPF-HHHXNRCGSA-N 472.566 4.939 10 1 JJCF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@]2(N1)c1ccccc1Oc1cc(O)cc(O)c12 963180486 PWZDDLARFCXULM-JLCFBVMHSA-N 477.822 4.767 10 1 JJCF CCN(CC)C(=S)/N=N/c1c(O)n(CN2CCN(c3ccc(F)cc3)CC2)c2ccccc12 101416510 YALJLUUBDGCJFQ-CYYJNZCTSA-N 468.602 4.976 10 1 JJCF COC(=O)c1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1N1CCCCC1 587766198 MISSSZIBXFTXMK-RCDICMHDSA-N 461.375 4.989 10 1 JJCF CCCCO[C@H]1C[C@H](C(=O)NCc2ccc(N)cc2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 13286689 DTPBCRVHNAZDIY-ODPMVMEKSA-N 463.622 4.508 10 1 JJCF CS(=O)(=O)Nc1cc(C[n+]2ccccc2)cc(Nc2c3ccccc3nc3ccccc23)c1 26958940 WDMNVEQVXDUFIS-UHFFFAOYSA-N 455.563 4.839 10 1 JJCF CCCCCOc1cc2nc(-c3cc(NS(C)(=O)=O)ccc3O)[nH]c2cc1Br 586949417 VCZINWCJZLDDLU-UHFFFAOYSA-N 468.373 4.639 10 1 JJCF COc1cc2c3c(c1)O[C@@](CN1CCCC1)(c1cc(C)n(-c4ccc(F)cc4)c1C)[C@@H](C2)C3=O 587430072 ZPRSUXVJKOOGGC-CUBQBAPOSA-N 460.549 4.981 10 1 JJCF CO[C@@H]1c2c(c(C(=O)CC(C)C)c(O)c3c(-c4ccccc4)cc(=O)oc23)O[C@@H]1C(C)(C)O 13429375 BKXVARUZTSGCEV-RPBOFIJWSA-N 452.503 4.614 10 1 JJCF biogenic CC(C)c1ccc(S(=O)(=O)Nc2ccc(Br)cc2C(=O)c2ccncc2)cc1 113626614 ZKZXOEKTWBMMCP-UHFFFAOYSA-N 459.365 4.999 10 1 JJCF Cc1cc2c(cc1O)[C@@]1(C[C@H](C)Cc3c1cc(C)n3-c1ccc(Cl)c([N+](=O)[O-])c1)N[C@H](C(=O)O)C2 963529135 VKOKYPXCQQQFLI-AKDAGGJASA-N 495.963 4.786 10 1 JJCF O=C1C[C@H](Cc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c2c(Br)cccc2O1 587004616 YDUANHSGTGTTJY-LBPRGKRZSA-N 487.309 4.736 10 1 JJCF CC[C@@H]1CC[C@H](c2cc[nH]c2)[C@H]([C@@H](CC(=O)CCc2cc(O)c(O)c(OC)c2)OC(C)=O)C1 2356546590 NRPZIYIVOMKPRP-ZAHKBLQYSA-N 457.567 4.868 10 1 JJCF Oc1cc(O)c2c(c1)C[C@@H]1c3cc(O)c(O)cc3[C@@H](c3ccc(O)c(O)c3)Cc3cc(O)cc-2c31 12153342 GHKGLJBAXWBDGN-YLJYHZDGSA-N 470.477 4.669 10 1 JJCF biogenic,in-vitro CN1C[C@@H](c2ccc(OC(F)(F)F)cc2)[C@]2(Cc3ccccc3C2=O)C12C(=O)c1ccccc1C2=O 84727376 GNXRVTTXUQJDSZ-NVQXNPDNSA-N 491.465 4.858 10 1 JJCF CC[C@H](C)C(=O)c1ccc(OCC(=O)N2CCN(c3ccc(OC)cc3)CC2)c(Cl)c1Cl 1772612497 JDSFGSVCLGZTFZ-INIZCTEOSA-N 479.404 4.958 10 1 JJCF O=C1c2ccccc2C(=O)C12[C@@H](c1ccccc1Cl)[C@@H]1CSCN1[C@@]21C(=O)Nc2ccccc21 64560385 RHWNDRQMHDWLGL-BERHBOFZSA-N 486.980 4.725 10 1 JJCF COC(=O)c1ccc(F)c(-c2cccc([C@H]3NCCc4cnc5c(OC)cccc5c43)c2O)c1 963058392 OFXINSKNKQGTKF-RUZDIDTESA-N 458.489 4.777 10 1 JJCF CN1C[C@H](c2ccc(OC(F)(F)F)cc2)[C@]2(Cc3ccccc3C2=O)C12C(=O)c1ccccc1C2=O 84727374 GNXRVTTXUQJDSZ-GJZUVCINSA-N 491.465 4.858 10 1 JJCF CC(C)(C)c1ccc(-n2[nH]c(N)c(/N=N/c3c(O)cc(S(=O)(=O)O)c4ccccc34)c2=O)cc1 169324901 SJVWYAVTWVXNDB-OCEACIFDSA-N 481.534 4.566 10 1 JJCF Cc1cc([C@H]2c3scnc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)c(C)n1-c1cccc([N+](=O)[O-])c1 963152199 YYVZPFIWFDUCNG-PMACEKPBSA-N 498.561 4.795 10 1 JJCF CCn1c(/C=C/C=C2/N(CCO)c3ccccc3C2(C)C)[n+](CC)c2nc3ccccc3nc21 13822037 PHPOFBNJQRGRBX-UHFFFAOYSA-N 454.598 4.599 10 1 JJCF O=C1c2ccccc2-c2onc3c(N4CCN(c5ccccc5)CC4)cc(NCCN4CCCC4)c1c23 1772588304 CFLCCLSHOUOYIN-UHFFFAOYSA-N 493.611 4.874 10 1 JJCF CCc1nc(N)nc(N)c1-c1ccc(Cl)c(/N=N/N(CCOC(C)=O)Cc2ccc(C)cc2)c1 13863511 KLISWJNSCMENKW-NVQSTNCTSA-N 481.988 4.896 10 1 JJCF Cc1c(C(=O)O)cncc1-c1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)o1 45286681 HRFLPZQCDIGTAT-JAIQZWGSSA-N 450.541 4.792 10 1 JJCF NCc1ccc(-c2ccc(C(=O)N3N=C(c4cccnc4)C[C@H]3c3ccccc3O)s2)cc1 71333431 LLCSJKQUHUWARX-QFIPXVFZSA-N 454.555 4.966 10 1 JJCF CCN(CC)C(=S)/N=N\c1c(O)n(CN2CCN(c3ccc(F)cc3)CC2)c2ccccc12 28528361 YALJLUUBDGCJFQ-RQZHXJHFSA-N 468.602 4.976 10 1 JJCF Cc1ccc(NC(=O)CSCCc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1 586970610 MULNKNPZGLPODK-UHFFFAOYSA-N 455.539 4.561 10 1 JJCF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2cccc([N+](=O)[O-])c2O)N1C(=O)c1ccc(Cl)cc1 963016790 MPTVGQBVIXDTLH-UNMCSNQZSA-N 491.887 4.676 10 1 JJCF COc1ccc(/C=C2\C(=O)N(c3cccc(Br)c3)N=C2C(F)(F)F)c(OC)c1OC 64539068 XJHZPWBYOWIKGQ-ZROIWOOFSA-N 485.256 4.823 10 1 JJCF CCOC(=O)c1sc(Nc2ccccc2)c(-c2nc(O)c3cnn(-c4ccccc4)c3n2)c1N 1857648810 XLYVPRPANXTIJR-UHFFFAOYSA-N 472.530 4.752 10 1 JJCF CC(=O)Nc1cncc(C(=O)N[C@@H](C)c2ccc(C3CN(c4ccc(OCC5CC5)cc4)C3)cc2)c1 149931563 VFNOLZCQBSZOHE-IBGZPJMESA-N 484.600 4.924 10 1 JJCF CC[C@@H]1CCC2=c3c(nc(-c4ccc(-c5nc6cc(C)c([N+](=O)[O-])cc6[nH]5)cc4)[nH]c3=O)=S=C2C1 587040308 YGZQDTZKPJSTBM-CQSZACIVSA-N 485.569 4.728 10 1 JJCF Cc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(=O)[C@@H](c1ccc(O)c(O)c1)O2 587831168 GZUJKDFGFAFMQH-ONZOMOSCSA-N 498.348 4.788 10 1 JJCF CCc1ccc(C=C2SC(=S)N(CCCC(=O)Nc3ccc(C(=O)O)cc3)C2=O)cc1 1857741974 PITVDYLNTHZLRC-UHFFFAOYSA-N 454.573 4.567 10 1 JJCF CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1cnc(-c2cc(C)c(C)cc2[N+](=O)[O-])s1 1857551459 UUNCMCGIQGVANK-ZDLGFXPLSA-N 462.487 4.839 10 1 JJCF CN(C)c1ccc(/C=C2\OC(=O)C(c3ccc(F)cc3)=C2c2ccc(S(C)(=O)=O)cc2)cc1 96923098 VNLDRDIZNSNRFE-KQWNVCNZSA-N 463.530 4.804 10 1 JJCF Cc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(=O)[C@H](c1ccc(O)c(O)c1)O2 587833297 MYVNPJXZLJJIQL-AYRFPWDKSA-N 498.348 4.788 10 1 JJCF COc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)c1c(O)cc(O)cc1O2 587837418 GTUDCGBIAGUSTO-RULNZOCKSA-N 472.310 4.940 10 1 JJCF NC(=O)C[C@@H](NC(=O)Cc1cccc2ccccc12)c1ccc(N2CCCCCCC2)c([N+](=O)[O-])c1 15936216 HGCLRHGTZWIYNV-XMMPIXPASA-N 488.588 4.794 10 3 JJCF O=C(Cc1ccccc1)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)Cc3ccccc3)ccc1C2=O 40933148 YFLLPGICLQVMIU-UHFFFAOYSA-N 474.516 4.824 10 1 JJCF in-vivo Nc1c(S(=O)(=O)O)cc(Nc2ccc(Oc3ccccc3)cc2)c2c1C(=O)c1ccccc1C2=O 45355160 LBWABNLVVJJHCX-UHFFFAOYSA-N 486.505 4.827 10 1 JJCF COc1cc2c(OC)cc3c(c2cc1OC)N(C)[C@H](CC(C)=O)c1c2c(cc(OC)c1-3)OCO2 299826162 TVBHTKCDUXQIIK-QGZVFWFLSA-N 465.502 4.740 10 1 JJCF COc1cc2c3c(c1)O[C@@H](c1c(C)n(CC(=O)N4CCCC[C@H]4C)c4ccccc14)[C@@H](C2)C3=O 587440381 YYBLQKNUVIMTMK-JAPVEFRCSA-N 458.558 4.848 10 1 JJCF C[C@]1(c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](C(=O)O)N3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587598485 XXTDSOGINVGLKC-NHTBANJLSA-N 469.493 4.808 10 1 JJCF CC(=O)N1CCN(c2ccc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2Cl)CC1 587691287 AIRFESHMFLQLEG-QKFKETGDSA-N 494.836 4.708 10 1 JJCF COc1cccc(C(=O)N[C@@H](c2ccc3c(c2)OCO3)c2cc(Cl)c3cccnc3c2O)c1 890470 XBRTYHPZURCAFS-QFIPXVFZSA-N 462.889 4.851 10 1 JJCF COc1ccc([C@@H](NC(=O)COc2cccc(N(C)C)c2)c2cc(Cl)c3cccnc3c2O)cc1 40401160 OOFDCGAGGKSFRB-RUZDIDTESA-N 491.975 4.953 10 1 JJCF Cc1ncccc1C(=O)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(-c2cnco2)cc1 113624833 AEYMKLNZWCFRLV-UHFFFAOYSA-N 453.907 4.730 10 1 JJCF CC(C)(C)OC(=O)Nc1nc(Cc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cs1 587020775 YBKFKAQGEQSJPD-UHFFFAOYSA-N 460.515 4.733 10 1 JJCF O=C1NC(=O)C(=Cc2cn(-c3ccc(Cl)cc3)nc2-c2ccc(OCc3ccccc3)cc2)C(=O)N1 1857645833 DKHSBSKNBOFURP-UHFFFAOYSA-N 498.926 4.521 10 1 JJCF CC1(C)O[C@@H]2c3ccccc3C(=O)C(=O)[C@@H]2[C@H]1Nc1ccc(Br)cc1Br 253679482 WSVMBURZMWMWQM-KFKAGJAMSA-N 479.168 4.924 10 1 JJCF CC(C)C[C@H](N1C(=O)/C(=C/c2ccc(N(C)C)c3ccccc23)SC1=S)P(=O)(O)O 1772582916 MZIRQTRYBCGDTO-XLXASQRYSA-N 464.549 4.657 10 1 JJCF COc1ccc(N2CCN(CCCCCCN3C(=O)c4cccc5cccc(c45)C3=O)CC2)cc1 1857548317 UGOXZHALYQBPNO-UHFFFAOYSA-N 471.601 4.827 10 1 JJCF Oc1ccc(CCN=c2nc(O)c(Cc3c(O)ccc4ccccc34)c(-c3ccccc3)[nH]2)cc1O 1857551574 XRLSIYLCZFHNJC-UHFFFAOYSA-N 479.536 4.787 10 1 JJCF COc1cccc2cc3c(nc12)[C@@](COc1ccc(C)c(C)c1)(c1ccc(O)cc1O)NCC3 963059069 SFCLJDMDHDCUGX-MUUNZHRXSA-N 456.542 4.740 10 1 JJCF CN(C)S(=O)(=O)c1ccccc1Nc1cc(-c2ccc3ccn(C)c3c2)c2nccnc2c1 1857553543 LJLUEJBAGDKJNM-UHFFFAOYSA-N 457.559 4.782 10 1 JJCF COc1ccc(O)c(CN2CCC3(CC2)c2ccccc2[C@@H](NC(=O)c2cccc(F)c2)[C@@H]3OC)c1 11872815 LLNYGEOPRZMDPU-SXOMAYOGSA-N 490.575 4.573 10 1 JJCF CC[C@@H]1CC[C@H](c2cc[nH]c2)[C@@H]([C@@H](CC(=O)CCc2cc(O)c(O)c(OC)c2)OC(C)=O)C1 2356546588 NRPZIYIVOMKPRP-RSZNVJGZSA-N 457.567 4.868 10 1 JJCF CO[C@]12C(=O)c3ccccc3C(=O)[C@H]1C(c1ccc(OC(C)=O)c3ncccc13)=C2[Si](C)(C)C 205838805 IKFBIYTUJGKXMM-AMGIVPHBSA-N 471.585 4.885 10 1 JJCF Cc1ccc(N2CCN(C[C@H](O)COc3ccc4c(c3)CCCN4Cc3ccccc3)[C@@H](C)C2)cc1 253798494 VNQBAVZVWMUZHC-SVEHJYQDSA-N 485.672 4.898 10 1 JJCF CC[C@]1(c2cc(Br)cc(Br)c2O)NCCc2c1c(C(C)C)nn2C 962921490 UDXIXKBAEXVXMF-GOSISDBHSA-N 457.210 4.573 10 1 JJCF Cc1cc(OC2CC2)ccc1N1CC[C@@H](Oc2ccc([C@H](C)NC(=O)c3cnoc3C)cc2)C1 1772618195 NOCJTRWIKIHMHD-MHECFPHRSA-N 461.562 4.981 10 1 JJCF COc1cc(Nc2cc(-n3c(C)cc4c3CC(C)(C)CC4=O)ccc2C(N)=O)cc(OC)c1OC 36487671 ONWOLFRMYZHLEQ-UHFFFAOYSA-N 477.561 4.809 10 1 JJCF in-vitro COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587811068 UVTACEQQMQJVJU-XELLLNAOSA-N 498.348 4.687 10 1 JJCF O=C1c2ccccc2C(=O)C1[C@@]1(c2ccccc2)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963190905 YEBUJUZQZGEJKB-BVZFJXPGSA-N 499.872 4.897 10 1 JJCF O=C(c1ccc(-c2ccccc2)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCCCC1 35065168 FEYADASVMBHYMC-UHFFFAOYSA-N 478.599 4.785 10 1 JJCF Cc1cc2c(cc1C)C(=O)c1c(O)c(Br)cc(Nc3cccc(C(=O)O)c3)c1C2=O 95559838 ZUYAFKNBAZQDCZ-UHFFFAOYSA-N 466.287 4.989 10 1 JJCF O=S(=O)(Nc1ccc(C2CCNCC2)cc1)c1ccc(NCc2cccc(Cl)c2O)cc1 103268207 SAYMJTNRPRUXTO-UHFFFAOYSA-N 472.010 4.926 10 1 JJCF Cc1cc(O)c2c(c1)C(=O)c1cccc(O)c1[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587836238 ZXKAQSWTEUIRRY-MCFWBGNESA-N 468.322 4.678 10 1 JJCF Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(C)ccc1-c1ccc(S(C)(=O)=O)cc1 587943644 LWOFVMVJWWYIFR-UHFFFAOYSA-N 467.316 4.974 10 1 JJCF COc1cccc2cc3c(nc12)[C@H](c1cc(Br)cc(C(F)(F)F)c1O)NCC3 963061482 CFXAXGGUDIPPRB-SFHVURJKSA-N 453.258 4.965 10 1 JJCF O=C(/C=C/c1ccc(O)c(O)c1)Oc1cccc2cccc(OC(=O)/C=C/c3ccc(O)c(O)c3)c12 1857762378 LCZLSDZWMXAVNG-UTLPMFLDSA-N 484.460 4.900 10 1 JJCF COc1ccc(Br)cc1[C@@H]1NC(c2ccc3c(c2)OCO3)=C[C@@H](c2ccccc2O)N1 2936771 WJYDXZQCIALVDS-YADARESESA-N 481.346 4.866 10 1 JJCF CCN1CCN(c2ccc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2F)CC1 587725694 RNDZJVLWVKGODH-NPMXOYFQSA-N 464.398 4.667 10 1 JJCF CCOC(=O)c1cc2c(Cn3ccnc3)c(O)c(OC)cc2nc1CSc1ccc(F)cc1 40422748 UGWNMGONBGJBEJ-UHFFFAOYSA-N 467.522 4.802 10 1 JJCF COc1ccc(CN(Cc2ccc([N+](=O)[O-])cc2)Cc2c(O)ccc3c(=O)cc(C)oc23)cc1 64516426 UGMWDOFQRFIEEL-UHFFFAOYSA-N 460.486 4.926 10 1 JJCF COc1cc2c(OC)cc3c(c2cc1OC)N(C)[C@@H](CC(C)=O)c1c2c(cc(OC)c1-3)OCO2 299826157 TVBHTKCDUXQIIK-KRWDZBQOSA-N 465.502 4.740 10 1 JJCF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(OCC(=O)O)cc1 587575583 FYYSTHHCQYNSAS-NAKRPHOHSA-N 485.492 4.966 10 1 JJCF CCCn1c2ccc(NC(=O)c3ccco3)cc2c2c3c(c4c(c21)CCc1nn(C)cc1-4)C(=O)NC3 36338929 MBHBUKNNPIOLLK-UHFFFAOYSA-N 479.540 4.792 10 1 JJCF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc(OCC(F)(F)C(F)F)cc3)C2)cc1 1772603436 UMSZZFPWSLDRLH-BTYIYWSLSA-N 454.464 4.821 10 1 JJCF COc1ccc([C@H]2CC(c3c(O)cc(C)c(Cl)c3C)=NN2c2ccc(S(N)(=O)=O)cc2)cc1 84541530 CBGVPGGSWKDFHX-OAQYLSRUSA-N 485.993 4.674 10 1 JJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(c3ccc(O)cc3)Oc3cc(O)cc(O)c32)N1 587837203 DHLPSFGANGIKEE-FNODVLLQSA-N 484.321 4.916 10 1 JJCF Cc1c(O)c(C)c2c(c1O)[C@@]1(C[C@@H](c3ccc(O)cc3)O2)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962764286 LDXHWXPLKOPBEB-GOHWNWGWSA-N 499.485 4.833 10 1 JJCF Nc1ccc(Oc2ccc3nc(-c4ccc5ncc(I)n5c4)[nH]c3c2)cc1 587188082 NGHDABXPROGQIR-UHFFFAOYSA-N 467.270 4.857 10 1 JJCF O=C1C(=C2c3cccnc3-c3ncccc32)SC(=S)N1Cc1nnc(-c2ccc(Cl)cc2)o1 1857559279 REIOWEKMWFTXCY-UHFFFAOYSA-N 489.969 4.980 10 1 JJCF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)c1ccccc1O[C@H]2c1ccc(O)c(O)c1 587618266 SXCBPPBXTPRTSL-RNCAPKPVSA-N 482.444 4.520 10 1 JJCF COc1cc(O)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br 587678553 ODUVMZHNUBTDPB-LZVRBXCZSA-N 459.153 4.863 10 1 JJCF Nc1cncc(C2=NN(C(=O)c3ccc(-c4ccccn4)s3)[C@@H](c3c(O)cccc3F)C2)c1 71335085 UFIWUHFXVKKRTO-LJQANCHMSA-N 459.506 4.624 10 1 JJCF CCN(CC)S(=O)(=O)c1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@@H]43)[nH]c2c1 587276083 IXMIIFDVSQABBK-IEGUWTFLSA-N 481.578 4.637 10 1 JJCF Cc1cc(C)c2c(c1O)[C@H](NC(=O)CCN1CCN(c3cccc(Cl)c3)CC1)C(C)(C)C2 26161258 YVBOVKRVGQVTIS-VWLOTQADSA-N 456.030 4.614 10 1 JJCF O=C(C(=O)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1 587603146 MVPYJQASUQPTQO-QDPGVEIFSA-N 450.446 4.701 10 1 JJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)cc([N+](=O)[O-])c2O)N1 587684276 YYUGAHWZDMQVEU-NZFNHWASSA-N 460.097 4.588 10 1 JJCF COc1c(Cl)cc(N2CCN(CCCCc3c[nH]c4ccc(C(N)=O)cc34)CC2)cc1Cl 13582432 LIIZQDKCZCZHLB-UHFFFAOYSA-N 475.420 4.727 10 1 JJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](C(=O)O)N3)N1 587792035 KUKQLOZRJBDEQZ-YUIUWENYSA-N 471.370 4.924 10 1 JJCF CC(C)Oc1ccc(S(=O)(=O)Nc2ccc(Br)cc2C(=O)c2ccncc2)cc1 36413409 DBOOVRFZCUSBJF-UHFFFAOYSA-N 475.364 4.663 10 1 JJCF CCCc1c(O)ccc2c1O[C@H](c1c(C)n(C[C@@H](O)CN3CCCC3)c3ccccc13)CC2=O 587474738 JHFQRCIVUDOUBD-SIBVEZHUSA-N 462.590 4.771 10 1 JJCF CCN1CCN(c2ccc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2F)CC1 587724226 GFMNBZRLXUHGKC-NPMXOYFQSA-N 464.398 4.667 10 1 JJCF C[C@@]1(c2cccc(NC(=O)CN=[N+]=[N-])c2)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962961207 RHEZAYGAZWSRQP-NRFANRHFSA-N 459.472 4.869 10 1 JJCF Cc1cc(O)c(C2=NN(c3ccc(S(N)(=O)=O)cc3)[C@H](/C=C/c3ccccc3)C2)cc1Cl 73163454 DALKXKJBXZFJQV-IHHMQQGQSA-N 467.978 4.698 10 1 JJCF O=S(=O)(N=Nc1c(O)[nH]c2ccc(Br)cc12)c1ccc(Br)cc1 617960113 SKRQKGZRSLASKR-UHFFFAOYSA-N 459.119 4.871 10 1 JJCF COc1cccc(C2=C[C@]3(NCCc4cc5cccc(OC)c5nc43)c3c(O)cccc3O2)c1 963054648 ITXJUULZFMMXMY-NDEPHWFRSA-N 452.510 4.780 10 1 JJCF Oc1cc2c3c(c1)[C@H]1c4c(cc(O)cc4[C@H]3[C@@H](c3ccc(O)c(O)c3)O2)O[C@@H]1c1ccc(O)c(O)c1 2356621116 PKEVBTFRDVTGPT-JUDWXZBOSA-N 484.460 4.765 10 1 JJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)cc([N+](=O)[O-])c2O)N1 587684278 YYUGAHWZDMQVEU-ZIDLFYJRSA-N 460.097 4.588 10 1 JJCF CC1=NN(c2ccc(S(C)(=O)=O)cc2)C(=O)/C1=C\c1ccc(-c2cc(C)c(C)cc2[N+](=O)[O-])o1 1857588837 SCPMIYJMLBIKEU-MOSHPQCFSA-N 479.514 4.681 10 1 JJCF CCCN1C/C(=C\c2ccc(N(C)C)cc2)C2=NN(C(C)=O)[C@@H](c3ccc(N(C)C)cc3)[C@H]2C1 82055859 IGXJJSYLULZUDE-APUPWMCTSA-N 459.638 4.503 10 1 JJCF Cc1c(O)cc2c(c1O)[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1ccccc1C2=O 587832026 IXJNXVAEZAZOMO-YDGUKXNOSA-N 468.322 4.678 10 1 JJCF C[C@H](CCC(=O)Nc1ccc(N)cc1)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O 1857581418 OYVIQFQSPFWMSJ-PDWBANRASA-N 498.708 4.585 10 1 JJCF CC(C)CN(Cc1ccc(N2CC(C3CCOCC3)C2)cc1)S(=O)(=O)Cc1ccccc1 147269335 QPCCHBFEDNECQY-UHFFFAOYSA-N 456.652 4.537 10 1 JJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)c1ccccc1O[C@H]2c1ccc(O)c(O)c1 587831263 HRWLTOOPPNESEY-NJDYNZTKSA-N 484.321 4.746 10 1 JJCF CCN(CC)c1ccc([C@@]2(CCCC(=O)O)c3c(ccc(OC)c3OC)C[C@@H](C)N2C)cc1 962642463 VQKJQOZIINTHCB-WINIVTDRSA-N 454.611 4.925 10 1 JJCF CSc1ccccc1[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)NCc1ccc(N)cc1 117850117 LHLXNADAGIEAJY-VXKWHMMOSA-N 454.640 4.568 10 1 JJCF O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(O)c(O)c21 587353178 MJMYQPKHIHCUJG-UFHPHHKVSA-N 468.436 4.790 10 1 JJCF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(OCC(=O)O)cc1 587575580 FYYSTHHCQYNSAS-LBNVMWSVSA-N 485.492 4.966 10 1 JJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(c3ccccc3)Oc3cc(O)c(O)c(O)c32)N1 587837421 GUDUCCPYJAOOQK-OIRASMEMSA-N 484.321 4.916 10 1 JJCF O=C1NC(=S)S[C@@H]1Cc1c(C(F)(F)F)nn(-c2ccccc2)c1SCc1ccco1 28822906 MPBPBXPKMGLWFV-CQSZACIVSA-N 469.535 4.835 10 1 JJCF Nc1ccc(Oc2ccc3nc(C4CCN(C(=O)c5ccc([N+](=O)[O-])cc5)CC4)[nH]c3c2)cc1 587268792 AEMKMGNKZLDYFJ-UHFFFAOYSA-N 457.490 4.865 10 1 JJCF COc1ccc2c(c1)[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1c(O)cc(O)cc1O2 587837569 IQYOUHGASGFRSB-BGJPBQGDSA-N 472.310 4.940 10 1 JJCF CCOc1cc(C/N=N/c2nc(Nc3ccccc3)nc(N3CCCCC3)n2)ccc1OCC(=O)O 169689401 IVJZXXSHWMVSSO-GKPLWNPISA-N 491.552 4.752 10 1 JJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)c(F)c(F)c2O)N1 587714550 ALVBYJRRBCSTTM-WDDATRMLSA-N 451.080 4.958 10 1 JJCF CC(=O)N1CCN(c2ccc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2Cl)CC1 587696083 PEPGRKVMPLVKFH-PSLXWICFSA-N 494.836 4.708 10 1 JJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(c3ccc(O)cc3)Oc3cc(O)cc(O)c32)N1 587837206 DHLPSFGANGIKEE-YYUOZPCZSA-N 484.321 4.916 10 1 JJCF CSc1cccc(-n2c(C)cc(-c3csc(-c4cccnc4N4CCNC(=O)C4)n3)c2C)c1 587924053 AXQVPGCYZXGVIM-UHFFFAOYSA-N 475.643 4.938 10 1 JJCF CN(c1ccc([C@@]23c4ccccc4C(=O)N2CCN3C(=O)c2ccc(F)c(F)c2)cc1)C1CCC1 1772583409 LKOPDZSJHLJTCC-NDEPHWFRSA-N 473.523 4.766 10 1 JJCF CC(=O)N1CCN(c2ccc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2Cl)CC1 587696081 PEPGRKVMPLVKFH-LFVRLGFBSA-N 494.836 4.708 10 1 JJCF CCOC(=O)C1CCN(c2ccc([C@H]3c4cccc(Br)c4CCN3C)cc2)CC1 963290094 SWDYFMMZDJCENZ-QHCPKHFHSA-N 457.412 4.806 10 1 JJCF CCOC(=O)/C=C1/SC(N2N=C(c3cc4ccccc4o3)C[C@H]2c2ccc(F)cc2)=NC1=O 1857640118 APUSLJPOOSZVSA-LANLRWRYSA-N 463.490 4.799 10 1 JJCF CNc1cc(NS(C)(=O)=O)ccc1Nc1c2cccc(OC)c2nc2c(OC)cccc12 29472038 KTINWPIGXZDDFW-UHFFFAOYSA-N 452.536 4.562 10 1 JJCF CCCCC[C@@H](C[C@@H](O)CC(=O)CCc1ccc(O)c(OC)c1)c1cc(O)c(O)c(OC)c1 2356430761 PVBRTULQOBTPFO-GHTZIAJQSA-N 460.567 4.828 10 1 JJCF Cc1c(O)c(O)cc2c1CC=C1[C@@]3(C)C(=O)C[C@@]4(C)[C@H](O)C(=O)[C@H](C)C[C@H]4[C@]3(C)CC[C@]12C 34656017 OBZDCHOMDAAKTD-WYVBECSISA-N 452.591 4.518 10 1 JJCF biogenic,in-vitro COc1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3N(C)C)c3cccc(OC)c3nc12 27728020 PHPOYCGPGRDAQO-UHFFFAOYSA-N 466.563 4.586 10 1 JJCF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@@H](c2ccc(O)c(O)c2)Oc2ccc(CC)cc21 587480005 KHZXGLYQKDFMMU-LEAFIULHSA-N 474.509 4.882 10 1 JJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCOCC3)c(Br)c2)N1 587675817 CYPAUMMGSUVDLT-ZSEKCTLFSA-N 498.234 4.985 10 1 JJCF C[C@H](NC(=O)c1cnc(N)s1)c1ccc(O[C@@H]2CCN(c3ccc(OCC4CC4)cc3)C2)cc1 1772649786 BXCCDMMACOYLOV-GAJHUEQPSA-N 478.618 4.663 10 1 JJCF COc1cc(-c2cc(C)cs2)ccc1S(=O)(=O)Nc1cccc(N2C[C@H](C)N[C@H](C)C2)c1 95598525 DXDSMBOMKOIFNX-HDICACEKSA-N 471.648 4.720 10 1 JJCF CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)c4sc(NC(C)=O)nc4C)cc3)C2)cc1 142233403 QWTKWBKJVGEQNA-INIZCTEOSA-N 494.617 4.567 10 1 JJCF Cc1cccc(C)c1Cn1ccc2c(NS(C)(=O)=O)cc(-c3cn(C)c4c(O)nccc34)cc21 1911585741 NLYJWARCUOIKRE-UHFFFAOYSA-N 474.586 4.937 10 1 JJCF Nc1c(/N=N/c2ccc(-c3ccccc3OCCCO)nc2)cc(S(=O)(=O)O)c2ccccc12 223750108 BCEFDXGIKJWXPO-BYYHNAKLSA-N 478.530 4.907 10 1 JJCF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@](Cc2ccccc2)(c2ccc(O)cc2O)N1 962922315 CKSKMKDTINALTG-WNJJXGMVSA-N 483.520 4.681 10 1 JJCF CC[C@@H]1CN2CCc3cc(OC)c(OC)c(O)c3[C@@H]2C[C@H]1CC1=NCCc2cc(O)c(OC)cc21 2356596276 DXPFGVRAUALPBT-PERKRYKHSA-N 480.605 4.504 10 1 JJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccc(O)c(O)c2)(c2ccc(O)cc2O)N1 587824324 ZQYXTIUAZDRZPR-JEPZBNPHSA-N 486.337 4.902 10 1 JJCF Cc1c(O)ccc2c1[C@@]1(CCCc3c1cc(C)n3-c1cccc(C(F)(F)F)c1)N[C@H](C(=O)O)C2 963522699 GJRNNHIKAACTDP-CPJSRVTESA-N 470.491 4.997 10 1 JJCF Oc1ccccc1[C@@H]1C=C(c2ccc3c(c2)OCO3)N[C@H](c2cccc(Br)c2)N1 2934963 NGBWNIZBOWNBIS-CVDCTZTESA-N 451.320 4.857 10 1 JJCF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1 587040637 PQPJYKQNALOTAL-OAQYLSRUSA-N 483.549 4.625 10 1 JJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])cc(Br)c2O)N1 587676668 IIPJQSJFCDPREE-NZFNHWASSA-N 460.097 4.588 10 1 JJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(I)c2O)N1 587740115 WOKDZNJLBNNTKT-ANRSDYALSA-N 462.100 4.522 10 1 JJCF Cc1cc(CN2CCC(NC(=O)COc3cccc(Cl)c3)CC2)c(C)n1-c1ccccc1 40899815 PWKUWNFLEPPUMD-UHFFFAOYSA-N 451.998 4.907 10 1 JJCF Cc1[nH]ncc1C(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OCC4CC4)cc3)C2)cc1 209123819 ZVNXAGYQTFFSGV-AVRWGWEMSA-N 460.578 4.656 10 1 JJCF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(c1cnn(-c2ccccc2)c1)c1cc(F)ccc1O 963637541 SOPCOEDHPXXPIV-SOKVYYICSA-N 459.521 4.560 10 1 JJCF COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccsc2)cc1C 34643417 GGIMLURHCSIDGB-HDICACEKSA-N 471.648 4.720 10 1 JJCF C[C@@]12C[C@@H]3C(=CC[C@@H]4C(=O)NC(=O)[C@@H]43)[C@H](c3ccc(C(F)(F)F)cc3)[C@@H]1C(=O)c1ccccc1C2=O 473120452 DAOSCBLDCKMSIU-TVYFEROHSA-N 493.481 4.730 10 1 JJCF Cc1cc([C@H]2N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c(C)n1-c1cc(F)cc(F)c1 962996730 QNIBJEMMQJIVGI-WIYYLYMNSA-N 452.835 4.992 10 1 JJCF CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1ccc(-c2ccc(C(=O)NCC3CC3)cc2)o1 1772629286 YWBFTDLFWVCLTC-UCQKPKSFSA-N 469.497 4.591 10 1 JJCF CN(C)c1ccc(CN2CCC[C@@H](NC(=O)c3ccc4[nH]nc(-c5ccc6c(c5)CCO6)c4c3)C2)cc1 147786068 FTDCXCMIRQGNSW-XMMPIXPASA-N 495.627 4.625 10 1 JJCF COC(=O)c1c([C@@H]2NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)c2ccccc2n1C 962949967 DRTVWGLPTIOXHT-OAQYLSRUSA-N 458.480 4.725 10 1 JJCF CCOC(=O)c1cc2c(Cn3ccnc3)c(O)c(OC)cc2nc1CSc1ccc(F)c(F)c1 40859917 AWUNSHQUKDVPGZ-UHFFFAOYSA-N 485.512 4.941 10 1 JJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCOCC3)cc2Cl)N1 587691344 BDHMAYAYDGXWOL-ZSEKCTLFSA-N 453.783 4.876 10 1 JJCF COc1cccc2cc3c(nc12)[C@@H](c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1)NCC3 963056192 LGVMJAMAKZKKDW-RUZDIDTESA-N 474.605 4.536 10 1 JJCF CC(C)S(=O)(=O)N1CCN(c2ccc(/C=C/c3cc(Cl)cc(Cn4ccnc4)c3)cc2)CC1 1857648496 HNDGUVPQWKERKM-ONEGZZNKSA-N 485.053 4.615 10 1 JJCF CNc1ccc(NC)c2c1C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587581071 UXZCXJQFWRQTPC-VAVYLYDRSA-N 478.504 4.925 10 1 JJCF O=[N+]([O-])c1cc(Br)cc([C@@H]2NC3(CC3)Cc3ccc(Br)cc32)c1O 961318083 FODNCSGOVMLMOQ-OAHLLOKOSA-N 454.118 4.593 10 1 JJCF Cc1ccc2c(c1)C(=O)c1c(O)c(Br)cc(Nc3cccc(C(=O)O)c3)c1C2=O 95561005 AKETTZLKRLWTLM-UHFFFAOYSA-N 452.260 4.680 10 1 JJCF CCN1CCN(c2ccc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2F)CC1 587725693 RNDZJVLWVKGODH-IQMFZBJNSA-N 464.398 4.667 10 1 JJCF CC(C)=CCC1(CC=C(C)C)C(=O)C(=O)[C@H](O)[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587834915 ULMPEOQBRABFTD-BQNIGPCOSA-N 478.402 4.529 10 1 JJCF COc1ccc([C@@H]2CC(c3c(O)cc(C)c(Cl)c3C)=NN2c2ccc(S(N)(=O)=O)cc2)cc1 84541528 CBGVPGGSWKDFHX-NRFANRHFSA-N 485.993 4.674 10 1 JJCF COc1ccc2nc(SC[C@]3(c4ccc(O)c(O)c4)CC(=O)c4cc(C)cc(N)c4O3)[nH]c2c1 587409678 NOZKLGXKTKCBTL-VWLOTQADSA-N 477.542 4.526 10 1 JJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(c3ccccc3)Oc3cc(O)c(O)c(O)c32)N1 587840541 YXNXZBCVTQMYME-MCFWBGNESA-N 484.321 4.916 10 1 JJCF COC(=O)CCCCCN1C(=O)/C(=C2/C(=O)N(Cc3ccc(C)cc3)c3ccccc32)SC1=S 169325274 WJNYWSZNBKXDOA-FCQUAONHSA-N 494.638 4.847 10 1 JJCF COc1ccc([C@@]2(c3ccccc3O)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587805027 CWDIHOAIGQWVTF-JCQPUDPBSA-N 458.327 4.834 10 1 JJCF COc1c(O)c(O)cc2c1C=C[C@@H]1[C@H](O)C[C@@H](CCc3ccc(O)c(CCC(C)C)c3)O[C@@H]21 2356582167 CJZULQRGPKBCAY-GPDRCSLYSA-N 454.563 4.867 10 1 JJCF CN1C[C@@H](c2ccccc2)[C@@]2(CCc3c([nH]c4ccccc34)C2=O)C12C(=O)c1ccccc1C2=O 40405170 MZPKBOKEPDOODL-MUAVYFROSA-N 460.533 4.830 10 1 JJCF Cc1ccc(S(=O)(=O)NCCCCCn2c3c(c4ccccc4c2=O)C(=O)c2ccccc2-3)cc1 84688784 COAYDVAVXCXUMQ-UHFFFAOYSA-N 486.593 4.670 10 1 JJCF CCc1ccc(CCNC2=NC(=O)/C(=C/c3ccc(-c4ccc(C(=O)O)c(O)c4)o3)S2)cc1 222784272 OLIMZMJMHNTWHX-HMAPJEAMSA-N 462.527 4.715 10 1 JJCF Cc1cc([C@@H]2N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c(C)n1-c1cc(F)cc(F)c1 962996726 QNIBJEMMQJIVGI-RXVVDRJESA-N 452.835 4.992 10 1 JJCF C[C@]1(c2cccc(N)c2O)c2[nH]c3ccccc3c2C[C@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963002574 CCSVRYXHLWVHRZ-RLWLMLJZSA-N 475.932 4.524 10 1 JJCF O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(O)c(O)c21 587353175 MJMYQPKHIHCUJG-RBJSKKJNSA-N 468.436 4.790 10 1 JJCF COc1ccc(C[C@]2(c3c(O)cc(O)cc3O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587809882 RJOSLSWFEBMZHR-RZFZLAGVSA-N 488.353 4.734 10 1 JJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(c1ccc(O)cc1)=COc1cc(O)cc(O)c12 587836991 CRWJJVGDVQDOPL-FNODVLLQSA-N 484.321 4.916 10 1 JJCF Cn1cc(CNC(=O)c2ccncc2Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)cn1 1857588744 CGQLOZONAHOCDW-UHFFFAOYSA-N 488.555 4.591 10 1 JJCF COc1ccc(N2CCN(CCCCNC(=O)c3ccc(-c4ccccc4)cc3)CC2)c(OC)c1 45253052 MVSROBKUXHYXAP-UHFFFAOYSA-N 473.617 4.703 10 1 JJCF CSc1ccc(CN2CCN(c3ccc(OC(C)C)c(NC(=O)c4cnccn4)c3)CC2)cc1 169336106 UPIGFIVIAXKBBQ-UHFFFAOYSA-N 477.634 4.560 10 1 JJCF Cc1c(O)cc2c(c1O)[C@@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)c1ccccc1C2=O 587832012 IXJNXVAEZAZOMO-APXPCNQMSA-N 468.322 4.678 10 1 JJCF CCOC(=O)CCc1ccc(-c2ccc(OC)cc2)n1-c1ccc(C(=O)Nc2cncnc2)cc1C 84603184 KICQLWKFOACOAM-UHFFFAOYSA-N 484.556 4.999 10 1 JJCF C[C@@]1(c2cccc(N)c2O)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963002569 CCSVRYXHLWVHRZ-HFZDXXHNSA-N 475.932 4.524 10 1 JJCF CCCn1c2ccc(NC(=O)OCC)cc2c2c3c(c4c(c21)CCc1nn(C)cc1-4)C(=O)NC3 36338907 ZPJXMMAKHOMHNW-UHFFFAOYSA-N 457.534 4.515 10 1 JJCF CC(C)(C)[C@]1(c2cc(Br)ccc2O)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962976746 OGAIHVOOITUQGO-JLTOFOAXSA-N 474.729 4.975 10 1 JJCF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OCC(F)(F)C(F)F)cc3)C2)cc1 1772603437 UMSZZFPWSLDRLH-YCRPNKLZSA-N 454.464 4.821 10 1 JJCF CN1C[C@H](c2ccc(Br)cc2)[C@@]2(Cc3ccccc3C2=O)C12C(=O)c1ccccc1C2=O 169568223 DPPLSMDCPQEEMG-ATIYNZHBSA-N 486.365 4.722 10 1 JJCF COc1ccc(CN2CCN(CCO[C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c(O)c1 45302681 SQXFUONBSABMAQ-HHHXNRCGSA-N 467.009 4.978 10 1 JJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)C(=O)c2ccccc2)(c2ccccc2)N1 587816663 ZPKUHBQOWIZOBN-OWJWWREXSA-N 452.323 4.818 10 1 JJCF CC(C)(C)[C@]1(c2cc(Br)ccc2O)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962976747 OGAIHVOOITUQGO-VBKZILBWSA-N 474.729 4.975 10 1 JJCF CN(Cc1ccccc1)c1ccc([C@@H](CC(N)=O)NC(=O)Cc2cccc3ccccc23)cc1[N+](=O)[O-] 15937482 POIQBGVSGLMIOL-RUZDIDTESA-N 496.567 4.660 10 3 JJCF COc1cc(F)c(-c2csc(NC(=O)/C=C/c3ccc(N4CCOCC4)cc3)n2)c(F)c1 653796400 JFEDMNFTDAEMQZ-QPJJXVBHSA-N 457.502 4.585 10 1 JJCF CCCCNC(=O)[C@]1(CC)OC(=O)c2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2C1CCCC1 40915594 YJZRECRRSTYVTJ-GDLZYMKVSA-N 485.584 4.775 10 1 JJCF O=S(=O)(Nc1cc(Sc2nnn[nH]2)c(O)c2ccccc12)c1ccc(Oc2ccccc2)cc1 84655543 OSDQXMKYKNOYRA-UHFFFAOYSA-N 491.554 4.803 10 1 JJCF COc1cccc(COc2ccc3cc(/C=C4\SC(=S)N(CC(=O)O)C4=O)ccc3c2)c1 98083204 MHGZEYNSRUARKD-NHDPSOOVSA-N 465.552 4.713 10 1 JJCF COc1ccc(C[C@@H]2c3ccc(N4CCCC4)cc3CCN2CC(=O)NCc2ccccc2)cc1OC 473106988 ZQBZFOIICMRWGZ-MUUNZHRXSA-N 499.655 4.762 10 1 JJCF O=C(c1cccnc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 113622557 YERSKXNAZSPKPN-UHFFFAOYSA-N 456.829 4.665 10 1 JJCF O=C1c2ccccc2C(=O)c2c1ccc1nc(Cn3c(-c4cscn4)nc4ccccc43)[nH]c21 587030119 YILNRRWFXSUOPW-UHFFFAOYSA-N 461.506 4.860 10 1 JJCF COc1ccc([C@@]2(c3ccccc3O)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587811936 YAHBMODDESVMSM-JCQPUDPBSA-N 458.327 4.834 10 1 JJCF CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(c1)CCN2[C@H](C(=O)OC)c1ccccc1 13732409 GBGLYOQUQCNAPY-SANMLTNESA-N 454.574 4.936 10 1 JJCF C[C@]1(c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](C(=O)O)N3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587598497 XXTDSOGINVGLKC-YZLPWLTASA-N 469.493 4.808 10 1 JJCF CC=C(C)C(=O)O[C@@H]1C[C@](O)(C(C)C)[C@@H]2[C@H](OC(=O)c3ccc(O)c(O)c3)CC(C)=CC[C@@]21C 2356572084 OIVJYFMVWBPZSP-GYPJDVINSA-N 472.578 4.655 10 1 JJCF COC1=C(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587531124 INLGATWAROBXPY-MUUNZHRXSA-N 488.492 4.656 10 1 JJCF Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)n1C[C@@H](c1cccc(Br)c1)N(C)C 587941810 WNDLIBXFWIXUTR-QFIPXVFZSA-N 461.425 4.932 10 1 JJCF Cc1cc(C(=O)c2cc(Cl)ccc2NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)ccn1 113625402 WHYUWYDQRGXLPV-UHFFFAOYSA-N 470.856 4.974 10 1 JJCF Oc1ccccc1[C@H]1C=C(c2ccc3c(c2)OCO3)N[C@H](c2ccc(Br)cc2)N1 2934332 OBLLTBUYKVHMMX-XXBNENTESA-N 451.320 4.857 10 1 JJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Br)cc([N+](=O)[O-])c2O)N1 587678312 KLTIBGONAZJDEQ-WNWIJWBNSA-N 474.124 4.762 10 1 JJCF CCCCO[C@@H]1C[C@H](C(=O)NCc2ccc(N)cc2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 13286687 DTPBCRVHNAZDIY-DFRMAQCZSA-N 463.622 4.508 10 1 JJCF O=C1C[C@@H](Cc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c2c(Br)cccc2O1 587004614 YDUANHSGTGTTJY-GFCCVEGCSA-N 487.309 4.736 10 1 JJCF COC(=O)c1ccc(F)c(-c2cccc([C@H]3N[C@H](C(=O)C(F)(F)F)Cc4ccccc43)c2O)c1 962728500 DYUZUBRIXWYXDO-SFTDATJTSA-N 473.422 4.720 10 1 JJCF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@]2(N1)c1ccccc1Oc1cc(O)cc(O)c12 963180493 PWZDDLARFCXULM-PEBXRYMYSA-N 477.822 4.767 10 1 JJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCc2ccc(O)cc2)(c2c(O)cc(O)cc2O)N1 587821692 JRFBBRFBLVQAEC-YEBMWUKDSA-N 488.353 4.821 10 1 JJCF Cc1cc(C)c(O)c([C@@]2(CC3CC(=O)NC(=O)C3)NCCc3cc(-c4ccccc4)ccc32)c1 962657391 BFNGSISVLHFOAO-LJAQVGFWSA-N 454.570 4.508 10 1 JJCF C[C@]1(c2c(O)cccc2Br)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963186422 VFXKVMDVJCZLFF-DYVFJYSZSA-N 464.665 4.689 10 1 JJCF CC1(C)CCC[C@]2(CO)[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@](O)(COC(=O)C=Cc1ccc(O)c(O)c1)C3 2356842999 NAPRTQGTRSLKIA-BTVXJCHUSA-N 484.633 4.791 10 1 JJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(I)ccc2O)N1 587740158 WWGNQQJVVWTOLW-PWJLMRLQSA-N 462.100 4.522 10 1 JJCF O=C(c1ccco1)[C@H]1CC(c2ccc3ccccc3c2O)=NN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 33917223 NFSSFIIBJDWFOC-OAQYLSRUSA-N 472.413 4.821 10 1 JJCF O=C(O)c1ccc(NC(=S)[C@H]2SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 40379225 GXIFTKGLTYOAQQ-CYBMUJFWSA-N 456.492 4.576 10 1 JJCF CCCCNS(=O)(=O)c1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@H]43)[nH]c2c1 587276556 LVWYXTPVAYCYKH-YZZKKUAISA-N 481.578 4.684 10 1 JJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCc2ccc(O)cc2)(c2c(O)cc(O)cc2O)N1 587822942 RUOGEFGSUMBNKH-YEBMWUKDSA-N 488.353 4.821 10 1 JJCF COc1cc(OC[C@H]2CC2(F)F)ccc1N1CC[C@@H](Oc2ccc([C@H](C)NC(C)=O)cc2)C1 1772611104 CMKLBDQBVLUBNH-DKZVUGQWSA-N 460.521 4.584 10 1 JJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\c2cc(O)cc(O)c2)(c2ccc(O)cc2O)N1 587819543 AVCSLXNNQKXFOQ-QWOUCIRJSA-N 486.337 4.902 10 1 JJCF COc1ccc2c(c1)c([C@@H]1NCCc3ccc(C(=O)N(C)C)cc31)c(C)n2Cc1ccccc1 962922755 HFXLFLAKICVBHA-MUUNZHRXSA-N 453.586 4.944 10 1 JJCF CC(C)(C)[C@@]1(c2cc(Br)ccc2O)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962976749 OGAIHVOOITUQGO-XOBRGWDASA-N 474.729 4.975 10 1 JJCF CCc1ccc(O)c([C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)C(=O)c2c[nH]c3ccccc23)c1 963796387 PHYRRLKMFKKMET-HHHXNRCGSA-N 484.552 4.810 10 1 JJCF CCN1C(=O)N(Cc2ccc(C(F)(F)F)cc2)C2(CCN(Cc3cc(Cl)ccc3O)CC2)C1=O 473098093 FLXSQAULKPOSMK-UHFFFAOYSA-N 495.929 4.883 10 1 JJCF COc1ccc2nc(SC[C@@]3(c4ccc(O)c(O)c4)CC(=O)c4cc(C)cc(N)c4O3)[nH]c2c1 587409676 NOZKLGXKTKCBTL-RUZDIDTESA-N 477.542 4.526 10 1 JJCF COc1ccc(N2COc3c4c(c5c(c3C2)O[C@@]2(C)OC[C@H](C)[C@H]2C5)O[C@@]2(C)OC[C@H](C)[C@H]2C4)cc1 1857747021 XTXBZXOUJJBRAR-GLTTUWFISA-N 493.600 4.919 10 1 JJCF COc1c(O)c(O)cc2c1C=C[C@H]1[C@@H]2O[C@H](CCc2ccc(O)c(CCC(C)C)c2)C[C@H]1O 2356582169 CJZULQRGPKBCAY-SNMOHMLRSA-N 454.563 4.867 10 1 JJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)cc([N+](=O)[O-])c2O)N1 587684163 YJBBVGLRNLHGND-ZIDLFYJRSA-N 460.097 4.588 10 1 JJCF CCOc1cccc([C@@H]2CC(c3ccc4c(c3)OCO4)=N[C@H](c3ccc(C(=O)OC)cc3)N2)c1O 9542353 DROXSUMGECLHSP-LVXARBLLSA-N 474.513 4.529 10 1 JJCF O=C(O)c1ccccc1OC[C@]1(c2ccc(O)cc2O)c2ccsc2CCN1Cc1ccco1 962702539 AUWFGKFINQWMQU-SANMLTNESA-N 477.538 4.831 10 1 JJCF O=C(O)CN1C(=O)/C(=C/c2ccc(OCc3ccccc3)c(OCc3ccncc3)c2)SC1=S 28360214 XAEZEZTVYTUTBL-XKZIYDEJSA-N 492.578 4.525 10 1 JJCF CC1=NN(c2ccc(C)c(C)c2)C(=O)[C@H]1/N=N/c1cccc(-c2cccc(-n3cnnn3)c2)c1O 95092795 WUGKGSDLYPHDHP-JPUYLNEOSA-N 466.505 4.527 10 1 JJCF investigational O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@H](c2cc(Br)c(F)c(F)c2O)N1 963177676 DISXXOXXYNKUAL-FZMZJTMJSA-N 486.618 4.793 10 1 JJCF CN1OC[C@@H]2CN(S(=O)(=O)c3cccc4ccccc34)[C@H](c3ccc(N4CCCCC4)cc3)C[C@@H]21 72101855 DRKLBNNMNKZADK-YGPDHOBYSA-N 491.657 4.828 10 3 JJCF COc1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3N(C)C)c3ccc(C)cc3nc12 27726986 PTHHXAZHUVWNTD-UHFFFAOYSA-N 450.564 4.886 10 1 JJCF O=C1Nc2ccc(-c3csc(-c4ccncc4)n3)cc2/C1=C/c1ccc(N2CCNCC2)cc1 214140971 MKFDJIJHDJEUPC-HAHDFKILSA-N 465.582 4.774 10 1 JJCF COc1ccc(N2CCN(CCCC(=O)NC3c4ccccc4C=Cc4ccccc43)CC2)cc1OC 13820582 PTPNGCDPSAZSBS-UHFFFAOYSA-N 497.639 4.996 10 1 JJCF COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccc(C)s2)c(F)c1 95598622 CKSTTXYXMSSFIV-IYBDPMFKSA-N 489.638 4.859 10 1 JJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCOCC3)c(Br)c2)N1 587675472 BTXMRDIWDVKXAY-MPBGBICISA-N 484.207 4.811 10 1 JJCF COc1cc([C@H](CCc2ccccc2)CC(=O)C[C@H](O)CCc2ccc(O)c(O)c2)ccc1O 85626238 CSCYONCTWIDJTI-FYYLOGMGSA-N 464.558 4.871 10 1 JJCF biogenic,in-vitro COc1cc(-c2nc([C@@H]3CC(c4ccc(O)cc4)=NN3c3ccccc3)no2)cc(OC)c1OC 96911225 OENVQZOJWRILJB-NRFANRHFSA-N 472.501 4.824 10 1 JJCF COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587811070 UVTACEQQMQJVJU-YDBLSZJJSA-N 498.348 4.687 10 1 JJCF COc1cc(CCC(=O)C[C@@H](O)C[C@H](CCc2ccccc2)c2cc(O)c(O)c(OC)c2)ccc1O 2356769738 MFISMLYDFCARTL-URXFXBBRSA-N 494.584 4.880 10 1 JJCF COc1cc(/C=C2\C(=O)N(c3cccc(Br)c3)N=C2C(F)(F)F)cc(OC)c1OC 64503827 OEZGDCSNHSYCMT-AUWJEWJLSA-N 485.256 4.823 10 1 JJCF CCc1nc2ccc(C(=O)NCc3ccccc3OC)cn2c1N(C)Cc1ccc(N(C)C)cc1 61926692 DRDGPUHFONPTSE-UHFFFAOYSA-N 471.605 4.538 10 3 JJCF O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2c1ccc(O)c2O 587346889 ALSKARIYQUMWNI-QDPGVEIFSA-N 468.436 4.790 10 1 JJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Br)cc([N+](=O)[O-])c2O)N1 587683140 VKZSMSSTENSKSF-RBHXEPJQSA-N 474.124 4.762 10 1 JJCF CN1c2ccc(OC(=O)NCCCN3CCc4ccccc4C3)cc2CN2CCc3ccccc3[C@@H]21 1857600480 BFDIFFSPLPFVDX-GDLZYMKVSA-N 482.628 4.730 10 1 JJCF O=S(=O)(Nc1cn(-c2ccccc2C(F)(F)F)cn1)c1cc(Br)cc(Cl)c1O 1911585917 AKZGUJQADWDMGW-UHFFFAOYSA-N 496.692 4.813 10 1 JJCF COc1ccc([C@]2(c3ccc(Cl)cc3)N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c(O)c1 962973348 KHQXVTMOSHOLNT-JPYJTQIMSA-N 480.294 4.877 10 1 JJCF CN(CC(=O)N[C@H](c1cccc([N+](=O)[O-])c1)c1cc(Cl)c2cccnc2c1O)Cc1ccccc1 40898538 SERWBTCJOSXMQR-XMMPIXPASA-N 490.947 4.840 10 1 JJCF CN1C[C@@H](c2ccc(Br)cc2)[C@]2(Cc3ccccc3C2=O)C12C(=O)c1ccccc1C2=O 84726139 DPPLSMDCPQEEMG-NVQXNPDNSA-N 486.365 4.722 10 1 JJCF Cc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(=O)[C@H](c1ccc(O)c(O)c1)O2 587616702 MBHWMZGSZKZRTJ-PZFKOMAXSA-N 496.471 4.672 10 1 JJCF COc1c(Br)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1OC 587673518 NPCRKURTORCZLK-AYVTZFPOSA-N 475.152 4.697 10 1 JJCF CN1CCN(c2ccc(-n3c(CCC(=O)O)ccc3-c3cccs3)cc2Br)CC1 587935103 BJHGJENXGFEXSV-UHFFFAOYSA-N 474.424 4.737 10 1 JJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCN(C)CC3)c(Br)c2)N1 587678926 PFVVJIRWNYQHTC-YEJXKQKISA-N 497.250 4.726 10 1 JJCF COc1ccc(C2(c3ccc(OC)cc3O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587804247 AIYBTZPQFGMWPS-ZDUSSCGKSA-N 488.353 4.843 10 1 JJCF CC(C)=CCC1(CC=C(C)C)C(=O)C(=O)[C@H](O)[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587834922 ULMPEOQBRABFTD-PPYUERFYSA-N 478.402 4.529 10 1 JJCF CN(CCC(=O)N1CCN(c2ccc3c(c2)OCO3)CC1)CCC1c2ccccc2-c2ccccc21 40951911 URNNYCSBJXAUQB-UHFFFAOYSA-N 483.612 4.588 10 1 JJCF CC(=O)Nc1nc(C(=O)N[C@@H](C)c2ccc(C3CN(c4ccc(OCC5CC5)cc4)C3)cc2)cs1 149954874 SVZVRUHJLSEZSW-KRWDZBQOSA-N 490.629 4.985 10 1 JJCF Cc1c(I)cnn1[C@@H](C)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587183187 WIDZPERBCZGKCB-LBPRGKRZSA-N 459.291 4.656 10 1 JJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](C(=O)O)N3)N1 587793727 KUKQLOZRJBDEQZ-OPXPTXNJSA-N 471.370 4.924 10 1 JJCF COc1cc2c3c(c1)O[C@@]1(CC[C@H]4[C@@H]5CC[C@@H]6C(=O)C(=O)CC[C@]6(C)[C@H]5CC[C@@]41C)[C@@H](C2)C3=O 587448014 XVVYXBGQDHYSKO-AYLUVNOZSA-N 462.586 4.972 10 1 JJCF O=C(Nc1ccc2ccccc2c1)O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1 66258582 IFGYDSLRAALKHK-ILBGXUMGSA-N 475.453 4.661 10 1 JJCF CC1(C)O[C@@H]2c3ccccc3C(=O)C(=O)[C@H]2[C@H]1Nc1ccc(Br)cc1Br 253679475 WSVMBURZMWMWQM-ATZDWAIDSA-N 479.168 4.924 10 1 JJCF NCc1cccc(-c2ccc(C(=O)N3N=C(c4cccnc4)C[C@H]3c3ccccc3O)s2)c1 43196059 AWKYBQKEOZWDCM-QFIPXVFZSA-N 454.555 4.966 10 1 JJCF COCCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCCc3ccc(F)cc3)ncnc21 82187196 ZMTUMHYQGZRFGT-UHFFFAOYSA-N 460.557 4.534 10 1 JJCF CC[C@@H]1CC[C@H](c2cc[nH]c2)[C@H]([C@H](CC(=O)CCc2cc(O)c(O)c(OC)c2)OC(C)=O)C1 2356546585 NRPZIYIVOMKPRP-DBICXWQESA-N 457.567 4.868 10 1 JJCF Oc1ccc(Br)cc1[C@@H]1C=C(c2ccc3c(c2)OCO3)N[C@H](c2cccc(F)c2)N1 2935194 OVQWOZGGZADSQK-CVDCTZTESA-N 469.310 4.996 10 1 JJCF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2cc3c(cc21)C(=O)c1ccccc1C3=O 587406070 FBYDCCVCLCVZGT-HKBQPEDESA-N 485.495 4.806 10 1 JJCF CCc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1 72317073 LJGARRQSIYHDHV-UHFFFAOYSA-N 491.998 4.946 10 1 JJCF COc1cc(O)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br 587677260 JYYAIYHPZFDHRP-YYSFKGJASA-N 459.153 4.863 10 1 JJCF COc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)c1c(O)cc(O)cc1O2 587837570 IQYOUHGASGFRSB-BSNNYGBQSA-N 472.310 4.940 10 1 JJCF CCN(CC)C(=S)/N=N/c1c(O)n(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2ccccc12 101407761 GGDKUYLJZSQKAW-OCEACIFDSA-N 495.609 4.745 10 1 JJCF CC[C@H]1CN2CCc3cc(OC)c(OC)c(O)c3[C@@H]2C[C@H]1CC1=NCCc2cc(O)c(OC)cc21 238759907 DXPFGVRAUALPBT-NBCNXNJRSA-N 480.605 4.504 10 1 JJCF CO[C@@]12C(=O)c3ccccc3C(=O)[C@H]1C(c1ccc(OC(C)=O)c3ncccc13)=C2[Si](C)(C)C 205838823 IKFBIYTUJGKXMM-AJTFRIOCSA-N 471.585 4.885 10 1 JJCF Cc1cc2c(cc1O)[C@]1(N[C@H](C(=O)O)C2)c2ccccc2C(=O)c2c(NC(C)C)ccc(NC(C)C)c21 963491396 NEJFOQIVILJOBI-QABMSTFYSA-N 499.611 4.776 10 1 JJCF c1ccc(CNc2ncnc3c2nc(-c2ccc(N4CCCC4)cc2)n3C[C@@H]2CCCO2)cc1 82178357 OPZKVCPGQZCKQZ-QHCPKHFHSA-N 454.578 4.885 10 1 JJCF COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2[n+](C)c2ccc(Br)cc12 169339492 OWOCIZCPWWFEBK-UHFFFAOYSA-O 487.399 4.704 10 1 JJCF COC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1Cc1ccc(N)cc1 29062485 QCTGONDFZARDIP-UHFFFAOYSA-N 463.331 4.848 10 1 JJCF O=C1CCCN1CCCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCc3ccccc3)ncnc21 82178373 WUDMLBIMMCNNED-UHFFFAOYSA-N 495.631 4.718 10 1 JJCF CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)c4nc(C)sc4C)cc3)C2)cc1 142282394 ZBXHRROQFLVKNL-INIZCTEOSA-N 451.592 4.917 10 1 JJCF COc1ccc(NC(=O)N2C[C@H]3CON(C)[C@H]3C[C@H]2c2ccc(N3CCCCC3)cc2)cc1 199388874 GCFYNODRCTXNGO-OPXMRZJTSA-N 450.583 4.526 10 3 JJCF Cc1cc(O)c2c(c1)C(=O)c1cccc(O)c1[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587836240 ZXKAQSWTEUIRRY-YYUOZPCZSA-N 468.322 4.678 10 1 JJCF CCc1ccc(OC[C@@]2(c3ccc(O)cc3O)N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1 962995805 OTYLIYISBKOKNJ-NLFFAJNJSA-N 489.902 4.513 10 1 JJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCN(C)CC3)cc2Cl)N1 587693809 KFBIPDKXRSTBKA-ZSEKCTLFSA-N 452.799 4.617 10 1 JJCF COCCc1ccc(Oc2ccc(OC(=O)CSc3nnc(-c4ccc(O)c(O)c4)o3)cc2)cc1 1857752656 NYEYZVFHYIBZPW-UHFFFAOYSA-N 494.525 4.827 10 1 JJCF CN1CCN(c2ccc(CNc3ccc4ncc(-c5ccc(OC(F)(F)F)cc5)n4n3)cc2)CC1 45192976 KZFDCZRBONTTAL-UHFFFAOYSA-N 482.510 4.659 10 1 JJCF O=C(O)c1ccc(C(O)=C2C(=O)N(c3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2=O)cc1 101066467 RHCZTOVMZMUOCW-UHFFFAOYSA-N 469.280 4.956 10 1 JJCF COc1c(Br)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1OC 587673633 OVGBFLANCQGCLS-VXJOIVPMSA-N 475.152 4.697 10 1 JJCF CN(C)c1ccc([C@]2(CCCCCC(=O)O)N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1 962975018 XEYMFDXKMRVLJC-CYFREDJKSA-N 480.939 4.562 10 1 JJCF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cccc(S(=O)(=O)Nc4ccccc4F)c3)[nH]c21 587154868 UGWYLLGJCSUZQB-UHFFFAOYSA-N 497.507 4.945 10 1 JJCF Cc1ccc2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)[C@H](c1ccc(O)c(O)c1)O2 587536506 UYORTKAJNFCUFG-LSYYVWMOSA-N 456.494 4.849 10 1 JJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2cc(Br)ccc2O)N1 587679829 OFMKQKZUHQPQPG-GIGQVBGESA-N 487.163 4.699 10 1 JJCF O=S(=O)(Cc1cccc(Nc2nc(-c3ccc(O)c(O)c3)cs2)c1)NCc1ccccc1 1772613458 WROOYRSVOXEXCW-UHFFFAOYSA-N 467.572 4.585 10 1 JJCF CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](c2ccc(O)cc2O)NC(SCc2ccccc2)=N1 49053666 QZKXCRWQSNLJQJ-QHCPKHFHSA-N 490.541 4.852 10 1 JJCF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@](c2cnn(-c3ccc(F)cc3)c2)(c2ccc3ccccc3c2O)N1 962922247 PMHCYISVBZUSNN-LITSAYRRSA-N 497.501 4.900 10 1 JJCF NC1CCC(Nc2nc(NCc3cc(Cl)ccc3O)c3ncn(C4CCCC4)c3n2)CC1 96273134 NTFUBXCARKXYCA-UHFFFAOYSA-N 455.994 4.594 10 1 JJCF Cc1ccc(-n2[nH]c(C)c(/N=N/c3c(O)cc(S(=O)(=O)O)c4ccccc34)c2=O)cc1C 169330409 SOFXJARJVWDDCL-WCWDXBQESA-N 452.492 4.612 10 1 JJCF O=C1c2ccccc2C(=O)c2c1ccc1nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c21 587044071 YNCGQNHTCXCUKD-SFHVURJKSA-N 459.914 4.647 10 1 JJCF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@H](c3cc(OCc4ccccc4)ccc3O)N12 962666157 MHIJLOKCUJQLDJ-NAKRPHOHSA-N 454.526 4.707 10 1 JJCF CCCCOC(=O)/C=C/c1cc(O)c2c(c1)[C@@H](C(=O)OCCCC)[C@H](c1ccc(O)c(O)c1)O2 136131923 SSTHWFGIACUKDO-FKIJPYOHSA-N 470.518 4.721 10 1 JJCF COc1ccc(C[C@@]2(c3c(O)cc(O)cc3O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587809884 RJOSLSWFEBMZHR-YEBMWUKDSA-N 488.353 4.734 10 1 JJCF Cc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1cccc(-c2nnn[nH]2)c1 73196478 CIDRXHHDPLPSCO-MOSHPQCFSA-N 458.572 4.680 10 1 JJCF COc1c(O)c(O)cc2c1C=C[C@@H]1[C@@H]2O[C@@H](CCc2ccc(O)c(CCC(C)C)c2)C[C@H]1O 85596407 CJZULQRGPKBCAY-KMUUZFRCSA-N 454.563 4.867 10 1 JJCF biogenic,in-vitro CSc1ccccc1[C@@H]1CCCN1C(=O)[C@@H](CC(C)C)NC(=O)NCc1ccc(N)cc1 117850111 LHLXNADAGIEAJY-YADHBBJMSA-N 454.640 4.568 10 1 JJCF CCc1ccc(OC[C@]2(c3ccc(O)cc3O)N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1 962995773 OTYLIYISBKOKNJ-CJFMBICVSA-N 489.902 4.513 10 1 JJCF Cc1nocc1C(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OCC4CC4)cc3)C2)cc1 1772620820 AHWKCLHADXGGIO-AVRWGWEMSA-N 461.562 4.921 10 1 JJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCN(C)CC3)c(Br)c2)N1 587678930 PFVVJIRWNYQHTC-ZSEKCTLFSA-N 497.250 4.726 10 1 JJCF Cc1cc(O)c2c(c1)Cc1ccc(-c3c(C)cc(O)c4c3C(=O)c3cccc(O)c3C4=O)c(O)c1C2=O 14727400 GXVLHCRNRBULRN-UHFFFAOYSA-N 492.483 4.703 10 1 JJCF biogenic COc1ccc2c(c1)C(=O)c1c-2n(-c2ccc(OCCN3CCCC3)cc2)c(=O)c2cc(OC)ccc12 653823814 FFHPAQFZFMTKAR-UHFFFAOYSA-N 496.563 4.694 10 1 JJCF CCOc1ccccc1[C@](N)(c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)C(F)(F)F 587093406 UCYKYLWJIZXISE-DEOSSOPVSA-N 465.431 4.502 10 1 JJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(c3cc(O)c(O)c(O)c3)Oc3ccccc32)N1 587843577 SPTHZOYTYRKBNI-OIRASMEMSA-N 484.321 4.916 10 1 JJCF CCCCO[C@@H]1C[C@H](C(=O)NCc2ccc(N)cc2)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 4202232 HFCDSGKUEBFKHV-VSGBNLITSA-N 485.628 4.581 10 1 JJCF O=C1NC(=S)NC(=O)C1=Cc1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1C1CC1 169330199 IBHKMYYPCRXZRW-UHFFFAOYSA-N 492.398 4.699 10 1 JJCF O=C(O)CCN1C(=O)/C(=C2\C(=O)N(Cc3c(Cl)cccc3Cl)c3ccccc32)SC1=S 1772608811 HVSHJLZLQRYHFC-ISLYRVAYSA-N 493.393 4.586 10 1 JJCF COc1ccc(C(=O)N2CC(=O)N(Cc3cc(Cl)ccc3O)[C@@H](CCc3ccccc3)C2)cc1 1857533798 RCTBUHKIGKKJKM-QHCPKHFHSA-N 478.976 4.540 10 1 JJCF Cc1cc(C)c2c(c1O)[C@H](NC(=O)CN1CCN(c3cccc(C(F)(F)F)c3)CC1)C(C)(C)C2 26147722 KSKWYEHABWOAAB-DEOSSOPVSA-N 475.555 4.590 10 1 JJCF COC(=O)C1CCN(c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)CC1 587769713 PCRDHLWXDDJZFU-RCDICMHDSA-N 461.375 4.601 10 1 JJCF Cc1c(O)cc2c(c1O)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1ccccc1C2=O 587832024 IXJNXVAEZAZOMO-JNDILOIQSA-N 468.322 4.678 10 1 JJCF CC[C@@H](C)c1cc(C)c2c(c1O)[C@@H](NC(=O)CN1CCN(c3cccc(Cl)c3)CC1)CC2 26171219 OGNLUKZPJQSXAY-HXOBKFHXSA-N 456.030 4.793 10 1 JJCF CCOC(=O)N1CCN(CCCNc2c3ccc(Cl)cc3nc3ccc(OC)cc23)CC1 45338125 LPAWGTHBIATNSJ-UHFFFAOYSA-N 456.974 4.626 10 1 JJCF COc1ccc2c(c1)[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1c(O)cc(O)cc1O2 587837417 GTUDCGBIAGUSTO-QVQLBTGDSA-N 472.310 4.940 10 1 JJCF CCN(CC)c1ccc(CN2CCC(c3ccc(OC)c(NC(=O)c4cnccn4)c3)CC2)cc1 96285594 TYLWQVNABXQUNI-UHFFFAOYSA-N 473.621 4.963 10 1 JJCF C[C@@]1(c2cccc(N)c2O)c2[nH]c3ccccc3c2C[C@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963002573 CCSVRYXHLWVHRZ-QFQXNSOFSA-N 475.932 4.524 10 1 JJCF COc1cc(OC[C@@H]2CC2(F)F)ccc1N1CC[C@H](Oc2ccc([C@H](C)NC(C)=O)cc2)C1 1772611101 CMKLBDQBVLUBNH-BPXKWBHBSA-N 460.521 4.584 10 1 JJCF O=S(=O)(Nc1cccc(Oc2ccccc2Cl)c1)N1CCC(NCc2ccccc2O)CC1 28529787 BROPCELRIQFXIM-UHFFFAOYSA-N 488.009 4.749 10 1 JJCF Nc1ccc(OCCCN2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 40504822 JCIHUQIOLXUXJC-UHFFFAOYSA-N 452.545 4.964 10 1 JJCF Cc1ccc(N2C(=O)/C(=C3\Sc4c(nc(C)n(C)c4=O)N3c3ccccc3)SC2=S)cc1 5733499 HQTNXYPZIHRIEJ-RELWKKBWSA-N 478.624 4.875 10 1 JJCF Cc1cc(C)c2c(c1O)[C@H](NC(=O)CN1CCN(c3cc(Cl)cc(Cl)c3)CC1)C(C)(C)C2 26159082 BLNGWPPSNPVYKG-DEOSSOPVSA-N 476.448 4.878 10 1 JJCF O=C1N=C(N2N=C(c3ccccc3)C[C@H]2c2ccccc2O)S/C1=C1/C(=O)Nc2ccccc21 95557605 ONZSUIKQEKBFMN-UTTYWZDOSA-N 466.522 4.536 10 1 JJCF CC1=NN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)[C@H](c2cc(Br)ccc2O)C1 653745705 NCLLULMXYMMBRN-HNNXBMFYSA-N 463.275 4.685 10 1 JJCF O=C1/C(=C/N2N=C(c3ccccc3)C[C@@H]2c2ccccc2O)SC(=S)N1c1cccnc1 653857014 LCUYSPMFXPNWAA-AREJXAQWSA-N 458.568 4.845 10 1 JJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(I)c2O)N1 587740118 WOKDZNJLBNNTKT-VXJOIVPMSA-N 462.100 4.522 10 1 JJCF Cc1cc(O)c(C2=NN(c3ccc(S(N)(=O)=O)cc3)[C@H](c3ccc(N(C)C)cc3)C2)c(C)c1Cl 82156470 ZPBDJWCOJUCPLZ-QFIPXVFZSA-N 499.036 4.732 10 1 JJCF CCCCNS(=O)(=O)c1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@@H]43)[nH]c2c1 587276553 LVWYXTPVAYCYKH-IEGUWTFLSA-N 481.578 4.684 10 1 JJCF COc1ccc(COc2ccc3cc(/C=C4\SC(=S)N(CC(=O)O)C4=O)ccc3c2)cc1OC 98083206 UBAHMHSEICDXHK-JJFYIABZSA-N 495.578 4.722 10 1 JJCF CN(C)c1ccc(CNC(=O)[C@]2(C)Cc3c(-c4cccc(C(F)(F)F)c4)ccnc3O2)cc1 61903829 DVZRLZZJWQTTMA-DEOSSOPVSA-N 455.480 4.843 10 3 JJCF Nc1ccc(C2(c3ccc(N)c(Br)c3)C(=O)c3ccccc3C2=O)cc1Br 98082477 XLZJYZURCMYCRB-UHFFFAOYSA-N 486.163 4.741 10 1 JJCF CC(C)=CC[C@@H]1C(=O)c2ccccc2C(=O)[C@]12c1ccccc1C[C@@]1(C3CCC3)C(=O)NC(=O)N12 962660036 FYKLEJGPXAWXLC-ZPJFYFFZSA-N 468.553 4.580 10 1 JJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCC4(CC3)OCCO4)cc2)N1 587769150 XLDIJSCUXVNOLS-OYHNWAKOSA-N 461.375 4.555 10 1 JJCF COc1ccc2c(c1OC)[C@@H](c1cc(Cl)c(Br)cc1O)NCC21CCOCC1 963192814 VKLBKWNWSXKNFL-LJQANCHMSA-N 468.775 4.566 10 1 JJCF COc1cc(O)ccc1-c1nnc(-c2ccc(-c3nnc(-c4ccc(O)c(O)c4)s3)cc2)o1 1857561963 NCUQJRGLDCFGFM-UHFFFAOYSA-N 460.471 4.715 10 1 JJCF COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccc(C)s2)s1 95598557 AXIMEHSTRHVITG-GASCZTMLSA-N 477.677 4.781 10 1 JJCF COC(=O)c1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1N1CCCCC1 587766194 MISSSZIBXFTXMK-JLCFBVMHSA-N 461.375 4.989 10 1 JJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCN(C)CC3)c(Br)c2)N1 587678923 PFVVJIRWNYQHTC-LRTDBIEQSA-N 497.250 4.726 10 1 JJCF COc1ccc(CN2C(=O)/C(=C/c3cc(C)n(-c4ccc(O)c(C(=O)O)c4)c3C)SC2=S)cc1 103243390 HCICXXCZUPDZTG-JJFYIABZSA-N 494.594 4.908 10 1 JJCF CC1(C)CCC[C@]2(CO)[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@@](O)(COC(=O)C=Cc1ccc(O)c(O)c1)C3 2356842997 NAPRTQGTRSLKIA-BFKQCSABSA-N 484.633 4.791 10 1 JJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(c3ccc(O)cc3)Oc3cc(O)cc(O)c32)N1 587836512 ABOKGENWDPHSGW-OIRASMEMSA-N 484.321 4.916 10 1 JJCF O=C(c1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1)N1CCOCC1 1911576432 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1857637842 XUIOPOJBANRNNA-UHFFFAOYSA-N 450.472 4.946 10 1 JJCF O=C(c1ccncc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Br)cc1 113624330 NEMWBDKWYAQBHE-UHFFFAOYSA-N 451.729 4.529 10 1 JJCF CCCc1c(O)ccc2c1O[C@H](c1c(C)n(C[C@H](O)CN3CCCC3)c3ccccc13)CC2=O 587474736 JHFQRCIVUDOUBD-BCHFMIIMSA-N 462.590 4.771 10 1 JJCF Cc1ccc2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)[C@@H](c1ccc(O)c(O)c1)O2 587536505 UYORTKAJNFCUFG-LEAFIULHSA-N 456.494 4.849 10 1 JJCF COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccc(F)cc2F)cc1 95598595 IAKOIFCIFMVQKB-CALCHBBNSA-N 487.572 4.628 10 1 JJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(c1ccc(O)cc1)=COc1cc(O)cc(O)c12 587837561 IOTNRNSPGKSGAO-FNODVLLQSA-N 484.321 4.916 10 1 JJCF CN(CC(=O)N[C@H](c1cccc([N+](=O)[O-])c1)c1cc(Cl)c2cccnc2c1O)c1ccccc1 40898533 CBUQIOYQSSZVDA-HSZRJFAPSA-N 476.920 4.844 10 1 JJCF Cc1[nH]n(-c2ccccc2Cl)c(=O)c1/N=N/c1c(O)cc(S(=O)(=O)O)c2ccccc12 169325436 PUVYXNSSBDVBCI-GHVJWSGMSA-N 458.883 4.648 10 1 JJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2)(c2c(O)cc(O)cc2O)N1 587819545 AVTHUIZRHDJUKL-NPMABZOXSA-N 458.327 4.726 10 1 JJCF COc1cc2c(Nc3ccccc3C(=O)c3ccccn3)c(C(N)=O)cnc2cc1-c1c(C)noc1C 84635919 BETHVCQFAJRUPN-UHFFFAOYSA-N 493.523 4.984 10 1 JJCF COc1cccc(CNc2ccc(S(=O)(=O)Nc3nc4c(C)cccc4s3)cc2)c1O 103266493 IIGLEVXEJLIJQV-UHFFFAOYSA-N 455.561 4.732 10 1 JJCF COc1ccccc1N1C(=O)/C(=C\c2cc3ccccc3n2Cc2ccccc2)C(=O)NC1=S 45371188 NEVRQHBLBUGJCP-PGMHBOJBSA-N 467.550 4.530 10 1 JJCF CCN1CCN(c2ccc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2F)CC1 587725692 RNDZJVLWVKGODH-CMJOXMDJSA-N 464.398 4.667 10 1 JJCF O=C1c2ccccc2[C@]2(c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)c2c(O)cccc21 962621174 ANGLNPXVWLOJAJ-GTYOFVGBSA-N 458.561 4.975 10 1 JJCF Oc1cccc(N2CCc3cc(O)ccc3[C@@H]2c2ccc(N3CCN(CC4CC4)CC3)cc2)c1 13607750 RKEFNNDFHCTSIV-LJAQVGFWSA-N 455.602 4.782 10 1 JJCF Cc1ccncc1C(=O)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(-c2cnco2)cc1 113626692 YQPOTDGNULLFHZ-UHFFFAOYSA-N 453.907 4.730 10 1 JJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](C(=O)O)N3)N1 587795987 PIIRWFXVCWCAAV-OPXPTXNJSA-N 471.370 4.924 10 1 JJCF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@H]1c1cc(OCc2ccccc2)ccc1O 963148271 PMCLJBXFJPHJDB-PZJWPPBQSA-N 482.558 4.764 10 1 JJCF CC[C@@H]1CC[C@H](c2cc[nH]c2)[C@@H]([C@H](CC(=O)CCc2cc(O)c(O)c(OC)c2)OC(C)=O)C1 2356546586 NRPZIYIVOMKPRP-INYSMAPRSA-N 457.567 4.868 10 1 JJCF CC(=O)N1CCN(c2ccc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2Cl)CC1 587691280 AIRFESHMFLQLEG-FATZIPQQSA-N 494.836 4.708 10 1 JJCF COc1cc(/C=C2\N=C(c3ccccc3)N(c3nc4c(OC)ccc(OC)c4s3)C2=O)ccc1O 6019439 MOIZUZOHGFZSGR-LGMDPLHJSA-N 487.537 4.862 10 1 JJCF COc1cc(-c2nc3ccc(Cl)cc3[nH]2)c2c(c1O)CN1CCc3cc4c(cc3[C@@H]1C2)OCO4 1772640719 VCWFAHLAIAPPRP-NRFANRHFSA-N 475.932 4.982 10 1 JJCF NCc1ccccc1-c1ccc(C(=O)N2N=C(c3cncc(N)c3)C[C@H]2c2ccccc2O)s1 71340779 DYCDLRQAFJFZHC-QFIPXVFZSA-N 469.570 4.548 10 1 JJCF Cc1ccc2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)[C@@H](c1ccc(O)c(O)c1)O2 587536507 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COc1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3N(C)C)c3ccc(F)cc3nc12 27731950 UCBFPAOKMFUREY-UHFFFAOYSA-N 454.527 4.717 10 1 JJCF CN(C)CCNC(=O)c1cccc2nc3ccc4c(OCc5ccccc5)cccc4c3nc12 27861549 QKCJOMCOKABQIO-UHFFFAOYSA-N 450.542 4.807 10 1 JJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCC(C(=O)O)CC3)cc2)N1 587772211 YJYHHKDZBQLXCM-PSLXWICFSA-N 461.375 4.687 10 1 JJCF CC1=NN(c2cccc(C(=O)O)c2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(C(=O)NC3CC3)c2)o1 1772586085 FTGAXIPXHKJAIV-MOSHPQCFSA-N 489.915 4.997 10 1 JJCF NC(=O)N1CCc2sccc2[C@]1(c1cnn(-c2ccccc2)c1)c1cc(Br)ccc1O 962720717 XTHRMQMNTUJHDF-HSZRJFAPSA-N 495.402 4.631 10 1 JJCF COc1cccc([C@H]2O[C@H](CC(=O)O)c3ccc(CN(C)C)n3-c3ccc(Cl)cc32)c1OC 84709761 UMQYJWLKHQZCFV-ISKFKSNPSA-N 470.953 4.845 10 1 JJCF CCCCC[C@H](C[C@@H](O)CC(=O)CCc1ccc(O)c(OC)c1)c1cc(O)c(O)c(OC)c1 85625585 PVBRTULQOBTPFO-WIYYLYMNSA-N 460.567 4.828 10 1 JJCF biogenic,in-vitro COc1cc(C2=NN(S(=O)(=O)c3ccc(C)cc3)[C@@H](c3ccc(Cl)cc3)C2)ccc1O 1857763966 MSDYDIURUKFAKP-OAQYLSRUSA-N 456.951 4.903 10 1 JJCF 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485.005 4.701 10 1 JJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(O)c(O)c([N+](=O)[O-])c2)(c2ccccc2F)N1 587729649 WJFIRAGDMBDOHN-XFNZEKPQSA-N 491.288 4.873 10 1 JJCF COc1ccc(N2C[C@H]3CC[C@H]2C[C@]32N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)cc1 962920296 MHZUPEYDLDRKOZ-XDEGHGNVSA-N 486.568 4.676 10 1 JJCF COc1ccc([C@H](NC(=O)COc2cccc(N(C)C)c2)c2cc(Cl)c3cccnc3c2O)cc1 40401157 OOFDCGAGGKSFRB-VWLOTQADSA-N 491.975 4.953 10 1 JJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCN(C)CC3)cc2Cl)N1 587695624 OHILCURCKYJPFK-LRTDBIEQSA-N 452.799 4.617 10 1 JJCF COc1ccc2c(c1OC)[C@@](c1ccccc1)(c1ccc(N3CCOCC3)cc1)N(C)[C@H](C)C2 962625167 LQCDUQXRUFLPCM-ONOMSOESSA-N 458.602 4.709 10 1 JJCF Nc1c(S(=O)(=O)O)cc(Nc2cccc(Cc3ccccc3)c2)c2c1C(=O)c1ccccc1C2=O 66079286 PWFGNCPUVKMCGC-UHFFFAOYSA-N 484.533 4.625 10 1 JJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(I)cc2O)N1 587736577 BAPZHJVFAGJGBH-BCTVWOGZSA-N 462.100 4.522 10 1 JJCF O=C1c2ccccc2C(=O)c2c1ccc1nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c21 586961615 WJSWUXCITLGBNM-WJOKGBTCSA-N 493.382 4.841 10 1 JJCF CC=C(C)C(=O)O[C@@H]1C[C@](O)(C(C)C)[C@@H]2[C@@H](OC(=O)c3ccc(O)c(O)c3)CC(C)=CC[C@]21C 2356572083 OIVJYFMVWBPZSP-ACBNEUFFSA-N 472.578 4.655 10 1 JJCF N[C@H](COc1cncc(-c2ccc3c(c2)/C(=C/c2cc[nH]c2)C(=O)N3)c1)Cc1c[nH]c2ccccc12 14962484 QQGSXLKQKPPNJW-ISOQDTBLSA-N 475.552 5.000 10 1 JJCF COc1ccc(-n2c(-c3ccccc3)cc(C=C3C(=O)NC(=O)NC3=O)c2-c2ccccc2)cc1 169330157 IKIAAOILSOOQDQ-UHFFFAOYSA-N 463.493 4.569 10 1 JJCF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@]2(CCC(=O)O)c1cc(C)ccc1O 963862917 KBQSHKXTWSTFAS-WINIVTDRSA-N 483.561 4.754 10 1 JJCF CCN(CC)C(=S)/N=N\c1c(O)n(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2ccccc12 28528362 GGDKUYLJZSQKAW-QPLCGJKRSA-N 495.609 4.745 10 1 JJCF COc1cc(C2=NN(S(=O)(=O)c3ccc(C)cc3)[C@H](c3ccc(Cl)cc3)C2)ccc1O 1857763965 MSDYDIURUKFAKP-NRFANRHFSA-N 456.951 4.903 10 1 JJCF Cc1ccc(NC(=O)c2ccc(N=NN(C)CO)cc2)cc1Nc1nccc(-c2cccnc2)n1 253654724 CRNMRKUVIVTISX-UHFFFAOYSA-N 468.521 4.723 10 1 JJCF O=C1c2ccccc2C(=O)c2c1ccc1[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc21 587000615 ROJSAVUSRUYMQX-UHFFFAOYSA-N 487.265 4.580 10 1 JJCF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@]2(N1)c1ccccc1Oc1cc(O)cc(O)c12 963180376 PWZDDLARFCXULM-FPTDNZKUSA-N 477.822 4.767 10 1 JJCF C/C=C(/C)C(=O)O[C@H]1C[C@](O)(C(C)C)[C@H]2[C@H](OC(=O)c3ccc(O)c(O)c3)CC(C)=CC[C@@]12C 238752691 OIVJYFMVWBPZSP-ZHAOCKOPSA-N 472.578 4.655 10 1 JJCF COc1ccc(C2(c3ccc(OC)cc3O)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587804245 AIYBTZPQFGMWPS-CYBMUJFWSA-N 488.353 4.843 10 1 JJCF COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3ccc(Cl)cc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(O)c1O 13473841 HXPCCQKRJWXBKD-QQJYNPJZSA-N 495.915 4.576 10 1 JJCF O=[N+]([O-])[C@H]1[C@@H](c2ccccc2Br)C=CN(Cc2cccnc2)[C@@H]1c1ccc(O)c(O)c1 100029540 YSZZUTNFHHXGEX-YSZBQJHXSA-N 482.334 4.755 10 1 JJCF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@@H](c2ccc(O)c(O)c2)Oc2ccc(C)cc21 587479851 JRXJWCNWZWOCJV-SHQCIBLASA-N 460.482 4.628 10 1 JJCF 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SNYRQBMBPRGCRT-ONEGZZNKSA-N 451.567 4.530 10 1 JJCF CCN(CC)c1ccc([C@@]2(CCCC(=O)O)c3c(ccc(OC)c3OC)C[C@H](C)N2C)cc1 962642461 VQKJQOZIINTHCB-PPHZAIPVSA-N 454.611 4.925 10 1 JJCF CCOC(=O)CC[C@@]1(c2ccc(N(C)C)cc2)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963179531 MDFKMAGLPJTTPN-REWPJTCUSA-N 498.929 4.611 10 1 JJCF COc1c(O)c(O)cc([C@@H]2C[C@H](O)[C@@H]3CC[C@H](c4ccc(O)cc4)C[C@H]3O2)c1Cc1cc[nH]c1 2356448406 CHHZHYXXSWTAQO-XACIOMOQSA-N 465.546 4.506 10 1 JJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCc2ccc(O)cc2)(c2c(O)cc(O)cc2O)N1 587822937 RUOGEFGSUMBNKH-OZAJXLCCSA-N 488.353 4.821 10 1 JJCF COC(=O)N(c1ccc(Nc2c3ccccc3nc3cc(NC(C)=O)ccc23)cc1)S(C)(=O)=O 26939222 KFQCOUJHVVYOEE-UHFFFAOYSA-N 478.530 4.622 10 1 JJCF COc1ccc(N2CCN(CCCCNC(=O)c3ccc(-c4ccccc4F)cc3)CC2)c(OC)c1 45303079 MVRFCJABGVNBIY-UHFFFAOYSA-N 491.607 4.842 10 1 JJCF O=C1N=C(N2CCN(CCCc3ccncc3)CC2)S/C1=C\c1ccc(Cl)c(Cl)c1 96174487 FHNDUBSBPVUNML-HKWRFOASSA-N 461.418 4.609 10 1 JJCF COc1cc2c3c(c1)O[C@H](c1c(C)n(CC(=O)N4CCCC[C@H]4C)c4ccccc14)[C@@H](C2)C3=O 587440382 YYBLQKNUVIMTMK-LOWSOADQSA-N 458.558 4.848 10 1 JJCF c1csc(CNc2ncnc3c2nc(-c2ccc(N4CCCC4)cc2)n3C[C@H]2CCCO2)c1 82190197 IHDMMAUQDZZERO-HXUWFJFHSA-N 460.607 4.946 10 1 JJCF COc1cc([C@@H]2CC(c3ccc(O)cc3)=NN2C(=O)c2ccc(Cl)cc2)ccc1OCC(=O)O 103182865 SFTZKWVRESBXSJ-NRFANRHFSA-N 480.904 4.509 10 1 JJCF CC(=O)N1CCN(c2ccc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2Cl)CC1 587696079 PEPGRKVMPLVKFH-FATZIPQQSA-N 494.836 4.708 10 1 JJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCOCC3)c(Br)c2)N1 587677181 JTDRCKCIFNDDLZ-ODXCJYRJSA-N 484.207 4.811 10 1 JJCF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@H]3c3c[nH]nc3-c3cccnc3)nc(Cl)nc21 963927795 FMYRZTDKGASTGO-QFIPXVFZSA-N 486.967 4.703 10 1 JJCF COc1ccc(N2CCN(C(=S)SCc3ccc(C(=O)Nc4ccccc4N)cc3)CC2)cc1 1857774774 JEVBMUIZMYVDIB-UHFFFAOYSA-N 492.670 4.870 10 1 JJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(I)cc2O)N1 587739066 SWKMTYKSSADVGT-BCTVWOGZSA-N 462.100 4.522 10 1 JJCF Cc1cc(C)c(O)c([C@]2(CC3CC(=O)NC(=O)C3)NCCc3cc(-c4ccccc4)ccc32)c1 962657386 BFNGSISVLHFOAO-GDLZYMKVSA-N 454.570 4.508 10 1 JJCF CCOC(=O)C1CCN(c2ccc([C@@H]3c4cccc(Br)c4CCN3C)cc2)CC1 963290093 SWDYFMMZDJCENZ-HSZRJFAPSA-N 457.412 4.806 10 1 JJCF CCN(CC)CCOc1c(C(=O)OC)c2c3c(oc2c2ccccc12)C(=O)c1ccccc1C3=O 28568060 OHYFDYUPUPHUDP-UHFFFAOYSA-N 471.509 4.869 10 1 JJCF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@H](c2ccc(O)c(O)c2)Oc2ccc(CC)cc21 587480011 KHZXGLYQKDFMMU-LSYYVWMOSA-N 474.509 4.882 10 1 JJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Br)cc([N+](=O)[O-])c2O)N1 587678308 KLTIBGONAZJDEQ-QPFGOUBPSA-N 474.124 4.762 10 1 JJCF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(OCC(=O)O)cc1 587575582 FYYSTHHCQYNSAS-LSYYVWMOSA-N 485.492 4.966 10 1 JJCF CC(=O)N1CCN(c2ccc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2Cl)CC1 587691285 AIRFESHMFLQLEG-PSLXWICFSA-N 494.836 4.708 10 1 JJCF COc1ccc(-c2nnc(-c3ccc4nc(/C=C/c5cc(O)c(O)c(OC)c5)[nH]c4c3)o2)cc1 587785183 IQHQPBVGCVAFDN-XCVCLJGOSA-N 456.458 4.879 10 1 JJCF CCOC(=O)C1CCN(c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)CC1 587766212 GEYOOXUMJJWIEJ-NPMXOYFQSA-N 475.402 4.991 10 1 JJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2)(c2c(O)cc(O)cc2O)N1 587821859 KGGZTQBXOHWDJE-NPMABZOXSA-N 458.327 4.726 10 1 JJCF COc1ccc2[nH]c(O)c(N=NC(=O)c3ccc(NS(=O)(=O)c4cccs4)cc3)c2c1 254003045 PDBHEBYLVSTQLA-UHFFFAOYSA-N 456.505 4.669 10 1 JJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(I)c2O)N1 587740117 WOKDZNJLBNNTKT-GLEZIHRCSA-N 462.100 4.522 10 1 JJCF CC1=C[C@@H]2C[C@H](C)CC[C@@H]2[C@](C)(C(O)=C2C(=O)N(C)C(CO)=C2O)[C@H]1C=CC=CC[C@H](C)O 2356351595 AWQOATNHYGPPIM-HVXKFBOCSA-N 457.611 4.551 10 1 JJCF Oc1cc(Br)c(COCc2cc(O)c(O)c(Br)c2Br)cc1O 64503467 CFWIAMPRQNGELY-UHFFFAOYSA-N 498.949 4.513 10 1 JJCF COc1cc([C@H]2CC(=O)c3c(O)cc(O)c(C/C=C(\C)CCCC(C)(C)O)c3O2)cc(O)c1O 473133388 ZGYDLABOCFSTCH-NPZXAABXSA-N 472.534 4.654 10 1 JJCF COC(=O)c1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1N1CCCCC1 587764070 BSANFZMIYSAEIC-FPTDNZKUSA-N 461.375 4.989 10 1 JJCF COc1ccc(C2=NN(C(C)=O)[C@H](c3ccc(N4CCN(c5ccccc5)CC4)cc3)C2)cc1OC 1857577951 IHRIEBNNBQZMSL-MHZLTWQESA-N 484.600 4.728 10 1 JJCF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c21 587121225 YJFGATHAHRJMPX-UHFFFAOYSA-N 450.298 4.766 10 1 JJCF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1[C@@](C)(Cc1ccc(O)c(O)c1)C(=O)O 587860457 UOUHNQPRVYVXPH-NRFANRHFSA-N 451.306 4.709 10 1 JJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3[nH]c(O)nc(NCc4ccccc4)c-3n1)[C@H]1CC=C[C@H]21 587277601 ZFFBBVDAXVTGQJ-ZWOKBUDYSA-N 469.505 4.665 10 1 JJCF O=C1c2ccccc2C(=O)c2c(O)c([C@H](O)C/C=C/c3ccc(Br)cc3)cc(O)c21 653852925 NQLJMMARAKQSAN-OAJJDEHYSA-N 465.299 4.773 10 1 JJCF COc1ccc(-n2c(C)cc([C@H]3c4ccccc4C[C@]4(C5CCC5)C(=O)NC(=O)N34)c2C)cc1OC 962668607 OGDNTSDRJWMOCR-UHSQPCAPSA-N 485.584 4.848 10 1 JJCF Oc1cc(I)ccc1[C@@H]1NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962961866 WVGPXVSXCXVGAT-GOSISDBHSA-N 489.275 4.756 10 1 JJCF Cc1nc(N)sc1C(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OCC4CC4)cc3)C2)cc1 1772613962 MYEGXSMUBBPOOV-BXKMTCNYSA-N 492.645 4.971 10 1 JJCF CN1c2ccccc2C(=O)N2CCc3c(n(C(=O)c4ccc(Cl)cc4)c4ccc(O)cc34)[C@H]21 95553039 OBLUWWDZGGUOJS-DEOSSOPVSA-N 457.917 4.836 10 1 JJCF CC1=NN(S(=O)(=O)c2ccc(C)cc2)[C@H](c2cc(Br)cc(Br)c2O)C1 653730360 YCYIKAPYYCLFHW-INIZCTEOSA-N 488.201 4.737 10 1 JJCF CCCCCCOC(=O)[C@]12O[C@@]1(C/C=C(\C)CCc1ccnc(N)c1)C(=O)c1ccccc1C2=O 85592703 KEGWYDDLKGMTJV-DDNFDBJVSA-N 476.573 4.643 10 1 JJCF biogenic,in-vitro C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCOCC3)cc2Br)N1 587675552 CNXYAYWYMQHMHC-FKIZINRSSA-N 484.207 4.811 10 1 JJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Br)cc([N+](=O)[O-])c2O)N1 587678310 KLTIBGONAZJDEQ-RBHXEPJQSA-N 474.124 4.762 10 1 JJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])cc(Br)c2O)N1 587681995 YWUQILCZTSJQGQ-KWKYVRJSSA-N 460.097 4.588 10 1 JJCF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(c1cnn(-c2ccccc2)c1)c1cc(F)ccc1O 963637537 SOPCOEDHPXXPIV-CBZJRKILSA-N 459.521 4.560 10 1 JJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)C(=O)c2ccccc2)(c2ccccc2)N1 587814826 JBMWIHQLWMIZKJ-OWJWWREXSA-N 452.323 4.818 10 1 JJCF Cc1c(O)cc2c(c1O)[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1ccccc1C2=O 587834126 RAAOKMOIHFSPKH-YDGUKXNOSA-N 468.322 4.678 10 1 JJCF Cc1cc(C)c2c(c1O)[C@H](NC(=O)CN1CCN(c3cc(Cl)ccc3Cl)CC1)C(C)(C)C2 26159108 CEBJRALEHNRCPE-DEOSSOPVSA-N 476.448 4.878 10 1 JJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])cc(Br)c2O)N1 587682433 YWUQILCZTSJQGQ-NZFNHWASSA-N 460.097 4.588 10 1 JJCF COC(=O)c1cccc(-c2cccc([C@@H]3N[C@@H](C(=O)C(F)(F)F)Cc4ccccc43)c2O)c1 962704535 CVAPLNWEXYFTJQ-NHCUHLMSSA-N 455.432 4.581 10 1 JJCF COc1ccc(Br)cc1[C@H]1CC(c2ccc(O)cc2)=NN1C(=O)c1cccnc1 45317880 JXJUUORZSBFDGJ-HXUWFJFHSA-N 452.308 4.550 10 1 JJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCOCC3)c(Br)c2)N1 587675814 CYPAUMMGSUVDLT-YEJXKQKISA-N 498.234 4.985 10 1 JJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])cc(Br)c2O)N1 587682434 YWUQILCZTSJQGQ-ZIDLFYJRSA-N 460.097 4.588 10 1 JJCF Nc1ccc(NC[C@H](O)CN2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 22941106 INUOCFOJUUCTSN-NDEPHWFRSA-N 494.630 4.550 10 1 JJCF COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2csc(C)c2)c(F)c1 34663082 MOCBYCDTKLLAID-IYBDPMFKSA-N 489.638 4.859 10 1 JJCF O=C(COc1ccccc1)N[C@H](c1cccc([N+](=O)[O-])c1)c1cc(Cl)c2cccnc2c1O 40933725 LBWKSAOORAPGFH-JOCHJYFZSA-N 463.877 4.787 10 1 JJCF Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)n1C[C@H](c1cccc(Br)c1)N(C)C 587941797 WNDLIBXFWIXUTR-JOCHJYFZSA-N 461.425 4.932 10 1 JJCF CN1c2ccc(OC(=O)NCCCCCCn3ccnc3)cc2CN2CCc3ccccc3[C@@H]21 1857558052 XMSZHCDGDDKYTG-AREMUKBSSA-N 459.594 4.739 10 1 JJCF CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1 169332693 JZEFDHAAEABKGE-UHFFFAOYSA-N 491.998 4.946 10 1 JJCF O=C(C(=O)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1 587603144 MVPYJQASUQPTQO-LXFBAYGMSA-N 450.446 4.701 10 1 JJCF CCOC(=O)CCC[C@@]1(c2ccc(N(CC)CC)cc2)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963239464 WUEMATGTAPUFQK-WNJJXGMVSA-N 489.616 4.657 10 1 JJCF O=C(NCCCCCCCCCCCCNC(=O)c1cccc(O)c1O)c1cccc(O)c1O 299870580 WMDFUHGSMKSQDS-UHFFFAOYSA-N 472.582 4.570 10 1 JJCF Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[P@@](=O)(Nc3ccccc3)Oc3ccccc3)O2)c(=O)nc1O 1857588894 CFGRRNIZUTWVDF-VVWMOISTSA-N 498.436 4.540 10 1 JJCF Oc1ccc(C[C@H]2CCCN2CCCCCCN2CCC[C@@H]2Cc2ccc(O)c(O)c2)cc1O 3785541 VQJOREUOQIWUDM-DNQXCXABSA-N 468.638 4.783 10 1 JJCF COc1c2occc2c(OC)c2c(=O)c(CN3CCOCC3)c(/C=C/c3ccc(N(C)C)cc3)oc12 169351365 VXASLCYJMDNVDT-JXMROGBWSA-N 490.556 4.625 10 1 JJCF CC(C)(C)OC(=O)N1CCN(c2ccc(O)c([C@H]3NCCc4c(Cl)cc(Cl)cc43)c2)CC1 963122186 NQEQRCPYVVYPSP-QFIPXVFZSA-N 478.420 4.991 10 1 JJCF CCOC(=O)C1CCN(c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)CC1 587765040 BHLLKJBMXOTZCD-IQMFZBJNSA-N 475.402 4.991 10 1 JJCF O=C(/C=C/c1ccc(O)c2oc(-c3ccc(O)c(O)c3)cc12)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 1772598885 LUPZSMMVHCJJEG-TYOLEZHBSA-N 498.491 4.523 10 1 JJCF CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)NCc2ccc(N)cc2)cc1 4201153 PCCSYAMOLWOOGY-XGWWGWHESA-N 497.639 4.908 10 1 JJCF COCCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCCCc3ccccc3)ncnc21 82179859 APAAEZFQKUSBSE-UHFFFAOYSA-N 456.594 4.785 10 1 JJCF CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(c1)CCN2[C@@H](C(=O)OC)c1ccccc1 13732406 GBGLYOQUQCNAPY-AREMUKBSSA-N 454.574 4.936 10 1 JJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(c1ccc(O)cc1)=COc1cc(O)cc(O)c12 587837564 IOTNRNSPGKSGAO-YYUOZPCZSA-N 484.321 4.916 10 1 JJCF CCOc1ccc2cc([C@H]3CC(c4ccc(O)cc4)=NN3C(=O)CCCC(=O)O)c(Cl)nc2c1 1911581837 ISUDIVWIUIJRST-JOCHJYFZSA-N 481.936 4.925 10 1 JJCF CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2ccc(O)c(O)c2)[C@H]1O 13673038 GISZLLJHTNRSSX-JWQCQUIFSA-N 475.651 4.811 10 1 JJCF O=C1c2ccccc2C(=O)c2c(O)c([C@@H](O)C/C=C/c3ccc(Br)cc3)cc(O)c21 653852926 NQLJMMARAKQSAN-WHLIDYPQSA-N 465.299 4.773 10 1 JJCF Cc1cc(OCCc2ccc(CN)c(O)c2)cc(OS(=O)(=O)c2cc(Cl)ccc2Cl)c1 13864356 FBLLAAXXQPYNPP-UHFFFAOYSA-N 482.385 4.855 10 1 JJCF CCOC(=O)COc1ccc(C(=O)c2ccc(O)c(CN3CCCCC3)c2)c(Cl)c1Cl 29333031 ISLYYIYIYXDONA-UHFFFAOYSA-N 466.361 4.858 10 1 JJCF CCCc1c(O)ccc2c1O[C@](c1cc(O)c(O)c([N+](=O)[O-])c1)(c1ccccc1F)CC2=O 587465379 CVKDKLHHWDHXOG-XMMPIXPASA-N 453.422 4.712 10 1 JJCF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@@H](c3cc(OCc4ccccc4)ccc3O)N12 962666147 MHIJLOKCUJQLDJ-LBNVMWSVSA-N 454.526 4.707 10 1 JJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\c2cc(O)cc(O)c2)(c2ccc(O)cc2O)N1 587819531 AVCSLXNNQKXFOQ-BSQIBJJJSA-N 486.337 4.902 10 1 JJCF Cc1cc(O)c2c(c1)C(=O)c1cccc(O)c1[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587836237 ZXKAQSWTEUIRRY-FNODVLLQSA-N 468.322 4.678 10 1 JJCF COc1c(Br)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1OC 587673519 NPCRKURTORCZLK-GLEZIHRCSA-N 475.152 4.697 10 1 JJCF CC(C)=CC[C@@H]1C(=O)c2ccccc2C(=O)[C@@]12c1ccccc1C[C@@]1(C3CCC3)C(=O)NC(=O)N21 962660022 FYKLEJGPXAWXLC-HCLMJZEPSA-N 468.553 4.580 10 1 JJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](C(=O)O)N3)N1 587793731 KUKQLOZRJBDEQZ-VRMGTIIOSA-N 471.370 4.924 10 1 JJCF COc1cccc2c1Oc1cc(O)cc(O)c1[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587839758 GOPNFGKOIZLQBB-QVQLBTGDSA-N 472.310 4.940 10 1 JJCF O=S(=O)(/N=N/c1c(O)[nH]c2ccc(Br)cc12)c1ccc(Br)cc1 6055984 SKRQKGZRSLASKR-VHEBQXMUSA-N 459.119 4.871 10 1 JJCF COc1ccc(CN2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(O)c1 45227119 YYCMYUPKZPNVMF-UHFFFAOYSA-N 468.544 4.603 10 1 JJCF COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccccc2C)s1 95598568 DSBVRHKBWJGDTE-HDICACEKSA-N 471.648 4.720 10 1 JJCF O[C@H](COc1ccc2c(c1)CCCN2Cc1ccccc1)CN1CCN(c2cccc(Cl)c2)CC1 40847923 CJPNLBGKNVFQAL-MHZLTWQESA-N 492.063 4.855 10 1 JJCF CCc1nc(N)nc(N)c1-c1ccc(Cl)c(/N=N/N(CCOC(C)=O)Cc2ccccc2F)c1 13863495 BKUKMQLXHBPECK-NVQSTNCTSA-N 485.951 4.727 10 1 JJCF CCOC(=O)Cc1cc(-c2ccc(C(F)(F)F)cc2)n(-c2ccc(S(C)(=O)=O)cc2)c1C 28862714 MACPERMNSNWSPB-UHFFFAOYSA-N 465.493 4.981 10 1 JJCF CN1CCN(c2ccc(-n3c(CCC(=O)O)ccc3-c3ccccc3)cc2Br)CC1 587936623 LVSFTMRDFMINSO-UHFFFAOYSA-N 468.395 4.676 10 1 JJCF Cc1ccc(Oc2c(/C=C3\SC(=S)N(CC(=O)O)C3=O)c(C)nn2-c2ccccc2)cc1 95584694 YWXXMAWEQWVQPJ-UNOMPAQXSA-N 465.556 4.567 10 1 JJCF O=[N+]([O-])[C@H]1[C@H](c2ccccc2Br)C=CN(Cc2cccnc2)[C@@H]1c1ccc(O)c(O)c1 100029536 YSZZUTNFHHXGEX-NMNUPHIUSA-N 482.334 4.755 10 1 JJCF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@](Cc2ccc(F)cc2)(c2ccc(O)cc2O)N1 963168431 CYZZOTUAVACBDI-WZONZLPQSA-N 495.856 4.994 10 1 JJCF O=C(COc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1)Nc1ccc(C(=O)O)cc1 473147437 FCFWTUVIVPUTSY-STZFKDTASA-N 490.562 4.808 10 1 JJCF COc1cc2c3c(c1)O[C@](CN1CCCC1)(c1cc(C)n(-c4ccc(F)cc4)c1C)[C@@H](C2)C3=O 587430073 ZPRSUXVJKOOGGC-RBJSKKJNSA-N 460.549 4.981 10 1 JJCF COCCCN1CCc2ccc(OC)cc2[C@@]12CC1(CCC(C)CC1)Oc1c2ccc(O)c1O 961323124 LTRGFFSFYUREFP-RQZDJWNCSA-N 467.606 4.976 10 1 JJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccc(O)c(O)c2)(c2ccc(O)cc2O)N1 587822610 PRLYZMNSKZLDES-YUIZTKBHSA-N 486.337 4.902 10 1 JJCF COC(=O)c1ccc(F)c(-c2cccc([C@H]3N[C@@H](C(=O)C(F)(F)F)Cc4ccccc43)c2O)c1 962728499 DYUZUBRIXWYXDO-RTWAWAEBSA-N 473.422 4.720 10 1 JJCF CCC(=O)N(c1ccc(Nc2c3ccccc3nc3cc(NC(C)=O)ccc23)cc1)S(C)(=O)=O 26840265 MSYVSUCIMCVTDA-UHFFFAOYSA-N 476.558 4.793 10 1 JJCF CN(C)c1ccc([C@]2(CCCCCC(=O)O)N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1 962975020 XEYMFDXKMRVLJC-DVECYGJZSA-N 480.939 4.562 10 1 JJCF CCN1CCN(c2ccc3cc(NC(=O)/C=C/c4ccc(OC(F)(F)F)cc4)ccc3n2)CC1 13671939 VJZDFHCEKLRILF-LFYBBSHMSA-N 470.495 4.927 10 1 JJCF O=C1c2ccccc2C(=O)C12[C@@H](c1ccc(Cl)cc1)[C@@H]1CSCN1[C@@]21C(=O)Nc2ccccc21 64549933 MQMDNKIUKIXHLV-BERHBOFZSA-N 486.980 4.725 10 1 JJCF COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587808951 OXUXGLKAYIHVHG-VDBVYFBLSA-N 498.348 4.687 10 1 JJCF CCN(CC)c1ccc(C=CC(=O)NCCN2CCC(N(C)[C@@H]3CCCC[C@@H]3C)CC2)cc1 1857621370 GBKLQKWGEDATFZ-WNCULLNHSA-N 454.703 4.637 10 1 JJCF COc1cccc2c1Oc1cc(O)cc(O)c1[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587839761 GOPNFGKOIZLQBB-RULNZOCKSA-N 472.310 4.940 10 1 JJCF Cc1c(C2=NN=C(/N=N/c3c(O)cccc3O)/C2=C/c2ccccc2)c(=O)n(-c2ccccc2)n1C 5883080 ROXLNVPCACNANI-YEWMAQBASA-N 478.512 4.879 10 1 JJCF O[C@@H](CNCCc1ccc(Cl)cc1)COc1ccc2c(c1)CCCN2Cc1ccccc1 45484640 VTNXMPOTIWQQSZ-VWLOTQADSA-N 451.010 4.865 10 1 JJCF Cc1cc(O)c(C2=NN(c3ccc(S(N)(=O)=O)cc3)[C@@H](c3ccc(N(C)C)cc3)C2)c(C)c1Cl 82156476 ZPBDJWCOJUCPLZ-JOCHJYFZSA-N 499.036 4.732 10 1 JJCF CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c1 587203955 RGOOMVQZHBGDDC-UHFFFAOYSA-N 466.497 4.855 10 1 JJCF CN1C[C@H](c2ccc(C(F)(F)F)cc2)[C@@]2(Cc3ccccc3C2=O)C12C(=O)c1ccccc1C2=O 169568246 TZTYTUGQWBZLIA-ATIYNZHBSA-N 475.466 4.978 10 1 JJCF CC(C)[C@]1(C2C(=O)c3ccccc3C2=O)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963189495 WUUCBNQUIKORFD-JTSKRJEESA-N 465.855 4.504 10 1 JJCF CN1CCN(C(=O)c2ccc3c(NCCc4c[nH]c5ccccc45)c4ccccc4nc3c2)CC1 28571320 HQNJABMDZQFZJM-UHFFFAOYSA-N 463.585 4.912 10 1 JJCF CCc1c(CCNCCCCCCNCCc2ccc(Br)cc2)ccc(O)c1O 45193664 BQFGARZQONIXEE-UHFFFAOYSA-N 463.460 4.948 10 1 JJCF CCOc1ccc([C@]2(c3ccccc3)N[C@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)c(O)c1 962702626 RWQSNTGMNZKXMF-URXFXBBRSA-N 475.438 4.840 10 1 JJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)c1ccccc1O[C@H]2c1ccc(O)c(O)c1 587833588 NVONAKYVUGWRGJ-NJDYNZTKSA-N 484.321 4.746 10 1 JJCF COc1cc2c(cc1O)oc(=O)c1c2c(-c2ccc(O)c(O)c2)c2c3cc(OC)c(O)cc3ccn21 2356806044 VNFJTLMNBJWHBA-UHFFFAOYSA-N 485.448 4.859 10 1 JJCF O=C(O)[C@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H](c2c(Cl)ccc(Br)c2O)N1 962708884 LBCPJBUGNVKKKS-TZMCWYRMSA-N 468.628 4.654 10 1 JJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1c([N+](=O)[O-])ccc(O)c12 587750402 HZUOZIAYCAXMII-QVQLBTGDSA-N 483.293 4.573 10 1 JJCF CCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc([N+](=O)[O-])ccc23)c(OC)c1 26935445 BCPPFWWVLOMAOB-UHFFFAOYSA-N 452.492 4.810 10 1 JJCF O=c1oc(-c2ccc(C(F)(F)F)cc2)nn1Cc1cc(Cl)c(-n2cc[nH]c2=S)cc1O 35242431 NRHCONCEJTZRGW-UHFFFAOYSA-N 468.844 4.778 10 1 JJCF COC(=O)c1c2c(nc3ccccc13)-c1cc(OC)c(OC)c(OCc3ccc(F)cc3)c1C2=O 95590773 DTMCCLSJBGKVTA-UHFFFAOYSA-N 473.456 4.968 10 1 JJCF CNc1ccc(NC)c2c1C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587581068 UXZCXJQFWRQTPC-SVEHJYQDSA-N 478.504 4.925 10 1 JJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCOCC3)c(Br)c2)N1 587677183 JTDRCKCIFNDDLZ-YUNKPMOVSA-N 484.207 4.811 10 1 JJCF CNC(=O)c1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3NC)c3ccc(Cl)cc3nc12 29472047 FSPJIJUSXMUZEX-UHFFFAOYSA-N 483.981 4.558 10 1 JJCF COc1cc(/C=C\c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)cc(O)c1O 587784980 GNHJABHMVZUTFT-TWGQIWQCSA-N 471.922 4.607 10 1 JJCF COc1ccc([C@]2(c3ccccc3O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587805028 CWDIHOAIGQWVTF-NPMABZOXSA-N 458.327 4.834 10 1 JJCF Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[P@](=O)(Nc3ccccc3)Oc3ccccc3)O2)c(=O)nc1O 1857588893 CFGRRNIZUTWVDF-KRBDZSBPSA-N 498.436 4.540 10 1 JJCF CNC(=O)c1cccc2c(Nc3ccc(NC(=O)OC)cc3NC)c3cccc(OC)c3nc12 29341030 VSPPCNSTFHLRNI-UHFFFAOYSA-N 459.506 4.720 10 1 JJCF CC(=O)Nc1ncc(C(=O)N[C@@H](C)c2ccc(C3CN(c4ccc(OCC5CC5)cc4)C3)cc2)s1 149937401 RUTLZVXYULNFER-KRWDZBQOSA-N 490.629 4.985 10 1 JJCF Cn1cccc1CN1CCc2sccc2[C@@]12C(c1ccc(O)c(O)c1)=COc1cc(O)ccc12 962401232 WMYYYVHOJSDHPF-MHZLTWQESA-N 472.566 4.939 10 1 JJCF C[C@]1(c2cc(Br)cc(Cl)c2O)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962980518 UYVMLGFDNPQSIP-YVEFUNNKSA-N 467.093 4.602 10 1 JJCF CCOC(=O)CCC[C@]1(c2ccc(N(CC)CC)cc2)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963023953 JFDVGJHBWIQIJQ-WTYVLRPYSA-N 463.622 4.563 10 1 JJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(I)ccc2O)N1 587740952 ZFIKDNQRKLTELN-ZKANADHPSA-N 462.100 4.522 10 1 JJCF COc1cc([N+](=O)[O-])cc([C@@H]2c3ccc4c(c3CCN2C(=O)OC(C)(C)C)NCCC4)c1O 961744638 AFTMPOVCTSMIRG-NRFANRHFSA-N 455.511 4.550 10 1 JJCF CC(=O)N1N=C(c2ccc(Nc3cc(=O)oc4ccccc34)cc2)C[C@H]1c1ccc(O)cc1O 103184859 YYSOJCYWWLDLAO-QHCPKHFHSA-N 455.470 4.645 10 1 JJCF CN1CCN(Cc2ccc(NC(=O)c3ccc4nc(CCCCCCN=[N+]=[N-])[nH]c4c3)cc2)CC1 587260524 SOGWRKAZAWWQDO-UHFFFAOYSA-N 474.613 4.976 10 1 JJCF CC(C)Oc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccccn2)s1 29124733 JGPXCOUNLWQNDR-HDICACEKSA-N 486.663 4.585 10 1 JJCF Oc1cc2c3c(c1)[C@H]1c4c(cc(O)cc4[C@H]3[C@H](c3ccc(O)c(O)c3)O2)O[C@H]1c1ccc(O)c(O)c1 2356621119 PKEVBTFRDVTGPT-PUHABZHSSA-N 484.460 4.765 10 1 JJCF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587265258 VGTFWWHFTJHDNO-CYBMUJFWSA-N 485.452 4.598 10 1 JJCF O=C1NC(=O)C(=Cc2c(-c3ccccc3)n(CC(=O)c3ccc(Cl)cc3)c3ccccc23)C(=O)N1 103220149 YTXNCMWDQRENNO-UHFFFAOYSA-N 483.911 4.594 10 1 JJCF O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCC[C@H](F)C2)cc1 1772585876 DVYZBWLGGLTXET-MMTVBGGISA-N 491.513 4.716 10 1 JJCF O=S(=O)(Nc1ccc(O)c(-c2c(O)ccc3c2OCO3)c1)c1cc(Cl)ccc1Cl 40407062 LLHFIAUGEBTPHF-UHFFFAOYSA-N 454.287 4.601 10 1 JJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(I)cnc3[nH]1)[C@H]1CC=C[C@H]21 587276080 IWQMBVQYBCMSRA-DCGLDWPTSA-N 473.274 4.606 10 1 JJCF C[C@@]1(c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](C(=O)O)N3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587598488 XXTDSOGINVGLKC-VVMGSQQPSA-N 469.493 4.808 10 1 JJCF COc1cc(O)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br 587678554 ODUVMZHNUBTDPB-NIVTXAMTSA-N 459.153 4.863 10 1 JJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)cc([N+](=O)[O-])c2O)N1 587684158 YJBBVGLRNLHGND-KWKYVRJSSA-N 460.097 4.588 10 1 JJCF CCOC(=O)C1CCN(c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)CC1 587765042 BHLLKJBMXOTZCD-WNSKOXEYSA-N 475.402 4.991 10 1 JJCF Oc1cc(Br)c(CCc2cc(O)c(O)c(Br)c2Br)cc1O 64512662 NFQMJMJFBMIAAK-UHFFFAOYSA-N 482.950 4.582 10 1 JJCF in-vivo CC(=O)C[C@@]1(c2cc(Br)ccc2O)N[C@H](C)Cc2cc(Br)c(F)cc21 587680321 PJFBEGHSYXOOIE-GIGQVBGESA-N 471.164 4.813 10 1 JJCF O=C1/C(=C/c2cccnc2)c2ccccc2N1CCCN1CCN(c2cccc(Cl)c2)CC1 28234662 FYSWFXXEYMAVNL-XIEYBQDHSA-N 458.993 4.835 10 1 JJCF CCn1c2ccc(C(=O)c3cccs3)cc2c2c3c(c4c(c21)CCc1nn(C)cc1-4)C(=O)NC3 29126021 IDMQVBIPKRZHML-UHFFFAOYSA-N 466.566 4.849 10 1 JJCF CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587112433 JVCNKKATJZIPQI-RUZDIDTESA-N 477.442 4.757 10 1 JJCF O=C1Nc2ccccc2[C@]12C[C@H]2c1ccc2c(/C=C/c3ccc(N4CCNCC4)cc3)n[nH]c2c1 114156785 FJXHOUJMCHOYIO-QCPDJZBESA-N 461.569 4.520 10 1 JJCF CCCN(CCCCCCNCCOc1ccccc1OC)[C@@H]1CCc2c(ccc(O)c2O)C1 26674090 VXTWRHAXCNDKIL-HSZRJFAPSA-N 470.654 4.905 10 1 JJCF COc1cc([C@@H]2CC(=O)c3c(cc(O)c(C/C=C(\C)CCCC(C)(C)O)c3O)O2)cc(O)c1O 473131843 PMYDFIHKZVYFAG-FZXOMJPYSA-N 472.534 4.654 10 1 JJCF CS(=O)(=O)c1cc(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc([N+](=O)[O-])c1Cl 586926940 QSTUXUKXQIDLCF-UHFFFAOYSA-N 458.883 4.570 10 1 JJCF Cc1cc(OC[C@@]2(c3ccc(O)cc3O)N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)ccc1Cl 963230148 LPBRMXVWGNCLRP-SQHAQQRYSA-N 490.943 4.529 10 1 JJCF COc1cc(Br)c([C@H](N)c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc1OC 586974998 IITIHYPGEUOQFR-NRFANRHFSA-N 469.339 4.765 10 1 JJCF CN(C)c1ccc(N=Nc2ccc(-c3nc4ccc(S(=O)(=O)N5CCOCC5)cc4[nH]3)cc2)cc1 587195349 HRZUWRPPQZOYBX-UHFFFAOYSA-N 490.589 4.732 10 1 JJCF COCCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCCc3cccc(F)c3)ncnc21 82179525 VYVSELKFNOQFLU-UHFFFAOYSA-N 460.557 4.534 10 1 JJCF Cc1nn(-c2ccccc2)c(Oc2cccc(Cl)c2)c1/C=C1\SC(=S)N(CC(=O)O)C1=O 95582962 SATNEFXPKZFXOU-WQRHYEAKSA-N 485.974 4.912 10 1 JJCF CCOc1ccc(-n2c(C)cc([C@@H]3N[C@H](C(=O)O)Cc4cc(C)c(O)cc43)c2C)cc1OCC 963491957 OKXXCZQPTOCXEY-NVQXNPDNSA-N 464.562 4.594 10 1 JJCF COc1cc(CC[C@@H]2C[C@H](OC(C)=O)C[C@@H](c3cc(O)c(O)c(OC4CCCC4)c3)O2)ccc1O 2356359410 KDRVFDQLTPBYHV-DPLHUUCSSA-N 486.561 4.918 10 1 JJCF C[n+]1c2ccccc2c(Nc2ccc(NS(C)(=O)=O)cc2)c2ccc(Br)cc21 26851007 JIYIKEKUNGOXLW-UHFFFAOYSA-O 457.373 4.695 10 1 JJCF COc1cccc2c1Oc1cc(O)cc(O)c1[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587840048 HRLFUBJHYDKKDA-BGJPBQGDSA-N 472.310 4.940 10 1 JJCF COc1cc(-c2nc3ccc(Cl)cc3[nH]2)c2c(c1O)CN1CCc3cc4c(cc3[C@H]1C2)OCO4 1772640720 VCWFAHLAIAPPRP-OAQYLSRUSA-N 475.932 4.982 10 1 JJCF CN1CC[C@H](NC(=O)c2ccncc2Nc2cc(-c3cc(F)c4ccn(C)c4c3)c3nccnc3c2)C1 1857593624 UTQCFIUGBIYRNU-SFHVURJKSA-N 495.562 4.500 10 1 JJCF COc1cc(NS(C)(=O)=O)ccc1Nc1c2cccc(OC)c2nc2c(OC)cccc12 26849519 FEPDDXKHMWVXOZ-UHFFFAOYSA-N 453.520 4.529 10 1 JJCF CN(C)c1ccc(-c2nc3ncc(Br)c(N4CCN(c5ccccc5)CC4)c3[nH]2)cc1 49047565 YRFSJKATAFOKCA-UHFFFAOYSA-N 477.410 4.780 10 1 JJCF Cc1ccc(NS(=O)(=O)c2ccc(/N=N/[CH-]c3ccccc3OCC(=O)O)c([N+](=O)[O-])c2)c(C)c1 169693833 USPVOJZVZZEKCT-OCOZRVBESA-N 497.509 4.770 10 1 JJCF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1cc(O)c(O)c([N+](=O)[O-])c1)c1ccccc1F 587569673 SARTVAISIQHOKG-GJZUVCINSA-N 489.411 4.756 10 1 JJCF Cc1ccc(C)n1-c1cc(C(F)(F)F)cc2c(=O)nc(N3CCC4(CC3)OC[C@H](C)O4)sc12 1857559146 REPHTYXPBMRZBE-HNNXBMFYSA-N 479.524 4.815 10 1 JJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2cc(O)cc(O)c2)(c2ccc(O)cc2O)N1 587819540 AVCSLXNNQKXFOQ-GFLQYKCBSA-N 486.337 4.902 10 1 JJCF CCCCCC(=O)N[C@H](C(=O)NCc1ccc(N)cc1)c1ccc(OCc2ccccc2)cc1 1911570428 GFFNKAPGLPDQAF-MHZLTWQESA-N 459.590 4.902 10 1 JJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Br)cc([N+](=O)[O-])c2O)N1 587683134 VKZSMSSTENSKSF-CQLKUDPESA-N 474.124 4.762 10 1 JJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)c1ccccc1O[C@@H]2c1ccc(O)c(O)c1 587831260 HRWLTOOPPNESEY-JCCAUCAJSA-N 484.321 4.746 10 1 JJCF CCc1ccc(O)c([C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)C(=O)c2c[nH]c3ccccc23)c1 963796388 PHYRRLKMFKKMET-MHZLTWQESA-N 484.552 4.810 10 1 JJCF COc1ccc(F)c(N2CC[C@H](Oc3ccc(N4C[C@H](C(F)(F)F)C[C@@H]4CC(=O)O)cc3)C2)c1 213575267 OBVSRFRVALTZDS-MDYRTPRTSA-N 482.474 4.724 10 1 JJCF CCN1CCN(c2ccc([C@@]3(C)c4ccsc4CCN3Cc3cccn3C)cc2F)CC1 962397051 JARMKNWSMZCXPA-SANMLTNESA-N 452.643 4.689 10 1 JJCF C[C@@]1(c2c(O)cccc2Br)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963186417 VFXKVMDVJCZLFF-CXAGYDPISA-N 464.665 4.689 10 1 JJCF COc1c(Br)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1OC 587673631 OVGBFLANCQGCLS-GLEZIHRCSA-N 475.152 4.697 10 1 JJCF CC(=O)C[C@@]1(c2cc(Br)ccc2O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587679678 NFNGQDIKEZZMMX-OVWNDWIMSA-N 471.164 4.813 10 1 JJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1c([N+](=O)[O-])ccc(O)c12 587750834 JWEWLKXVWMITDT-BGJPBQGDSA-N 483.293 4.573 10 1 JJCF COc1ccc(N2CCOCC2)c2sc(NC(=O)C(C)(C)Oc3ccc(C(F)(F)F)cc3)nc12 1772604768 CUIJSATVCHJESV-UHFFFAOYSA-N 495.523 4.956 10 1 JJCF COc1cc(CCC(=O)C[C@@H](O)C[C@@H](CCc2ccccc2)c2cc(O)c(O)c(OC)c2)ccc1O 2356769737 MFISMLYDFCARTL-QPPBQGQZSA-N 494.584 4.880 10 1 JJCF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2cc(C)ccc2O[C@H]1c1ccc(O)c(O)c1 587477219 DXIBZYBXELBXKA-RRPNLBNLSA-N 460.482 4.785 10 1 JJCF CCOC(=O)Cn1c(C)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 587574890 CNLCTOWPXHKELG-SHQCIBLASA-N 457.482 4.921 10 1 JJCF CN(CCO)c1ccc(-c2nc3cc(Br)c(OCc4ccccc4)cc3[nH]2)cc1 587193117 SPBJIXZTNWGTNS-UHFFFAOYSA-N 452.352 5.000 10 1 JJCF COC(=O)C1CCN(c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)CC1 587769711 PCRDHLWXDDJZFU-JLCFBVMHSA-N 461.375 4.601 10 1 JJCF CC(C)(C)OC(=O)N1CCN(c2ccc([C@@H]3c4ccc(F)cc4C[C@@H]4CCCN43)cc2)CC1 963107678 SMAGXNKFHQWWRK-UKILVPOCSA-N 451.586 4.993 10 1 JJCF O=C1/C(=C/c2ccc(-c3nn[nH]n3)cc2)SC(=S)N1CCCc1cccc(C(F)(F)F)c1 1911579152 LBJVKBNPJZVRKV-ATVHPVEESA-N 475.521 4.720 10 1 JJCF Oc1c(CN2CCCC2)cc(CNc2nnc(Cl)c3ccccc23)cc1CN1CCCC1 27881301 WEUXQWADGJJAEU-UHFFFAOYSA-N 452.002 4.793 10 1 JJCF O=C(O)c1cc(-c2ccc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)o2)ccc1O 45290744 UTVGZCSSZVFKFV-MOSHPQCFSA-N 451.525 4.794 10 1 JJCF O=C(O)c1ccc(NC(=S)[C@@H]2SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 40379224 GXIFTKGLTYOAQQ-ZDUSSCGKSA-N 456.492 4.576 10 1 JJCF COc1ccc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c(I)c1 587179864 HUFWMVVMFJTMCY-UHFFFAOYSA-N 480.261 4.619 10 1 JJCF CNc1ccc(Br)c2c1C(=O)c1ccccc1[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587416946 GTDIGNVTSLTTKU-CPJLOUKISA-N 476.326 4.735 10 1 JJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccc(O)c(O)c2)(c2ccc(O)cc2O)N1 587822607 PRLYZMNSKZLDES-AJSRJZRPSA-N 486.337 4.902 10 1 JJCF CC(=O)Oc1c(OC(=O)Cc2ccccc2)c(-c2ccc(O)cc2)c(O)c(O)c1-c1ccc(O)cc1 14721724 ZECONWCYCOYFLP-UHFFFAOYSA-N 486.476 4.916 10 1 JJCF biogenic,in-vitro COc1cccc2c1Oc1cc(O)cc(O)c1[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587840049 HRLFUBJHYDKKDA-BSNNYGBQSA-N 472.310 4.940 10 1 JJCF O=C(COc1ccccc1)N[C@@H](c1ccccc1Cl)c1cc([N+](=O)[O-])c2cccnc2c1O 40404281 PZGYPDNJITYKKY-QFIPXVFZSA-N 463.877 4.787 10 1 JJCF O=NOc1ccc(/N=N/Cc2ccc(O)c(O)c2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 169694634 DOFQAFOHRJQFBK-QURGRASLSA-N 462.871 4.896 10 1 JJCF CN1C[C@@H](c2ccc(OC(F)(F)F)cc2)[C@@]2(Cc3ccccc3C2=O)C12C(=O)c1ccccc1C2=O 195524279 GNXRVTTXUQJDSZ-BKMJKUGQSA-N 491.465 4.858 10 1 JJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccc(O)c(O)c2)(c2ccc(O)cc2O)N1 587822609 PRLYZMNSKZLDES-WOTDHSJMSA-N 486.337 4.902 10 1 JJCF CCN1CCN(c2ccc([C@]3(C)c4ccsc4CCN3Cc3cccn3C)cc2F)CC1 962397043 JARMKNWSMZCXPA-AREMUKBSSA-N 452.643 4.689 10 1 JJCF CC(C)(C)OC(=O)N1CCC(n2cc(-c3cccc4c3C(=O)c3ccccc3C4=O)cn2)CC1 1857542980 GWORUPZVCQORCU-UHFFFAOYSA-N 457.530 4.898 10 1 JJCF Cc1ccc(C(=O)c2cc(Cl)ccc2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c[n+]1[O-] 34073912 JNXONJSMGZULEQ-UHFFFAOYSA-N 458.967 4.611 10 1 JJCF Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(-n2ccnc2C(F)(F)F)cc1 72122889 GRXQWFYUVDGCOT-UHFFFAOYSA-N 482.462 4.773 10 1 JJCF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(c1cnn(-c2ccccc2)c1)c1cc(F)ccc1O 963637544 SOPCOEDHPXXPIV-XGCWNURASA-N 459.521 4.560 10 1 JJCF CC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1cc(Br)cc(Br)c1O 95560002 XSCGLAQKVFBOKH-KRWDZBQOSA-N 452.146 4.923 10 1 JJCF CC1(C)C=Cc2c(cc3c(c2O)[C@@]2(C=C(c4ccc(O)cc4)O3)NCCc3ccc(O)cc32)O1 963350709 CSNGTDXCTJEEMM-NDEPHWFRSA-N 455.510 4.810 10 1 JJCF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@@]2(C)C1C(=O)c2ccccc2C1=O 963915509 NZGRTKDLEBSENH-XGCWNURASA-N 463.530 4.542 10 1 JJCF CCc1nc(N)nc(N)c1-c1ccc(Cl)c(/N=N/N(CCOC(C)=O)Cc2cccc(C)c2)c1 13863509 VNNVOYRMHLWWGK-NVQSTNCTSA-N 481.988 4.896 10 1 JJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]1)[C@H]1CC=C[C@@H]21 587277519 XMIODVUHHSQMIC-TYILLQQXSA-N 478.452 4.900 10 1 JJCF O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc(O)c(O)c2O)[C@H]1c1ccc(F)cc1 587349778 FVKFMOXUBOKROR-WNCULLNHSA-N 458.441 4.951 10 1 JJCF COC(=O)/C=C1/SC(N2N=C(c3cc4ccccc4o3)C[C@@H]2c2ccc(Cl)cc2)=NC1=O 1857644037 VSLQSOREDCCFPB-XNHPLOEXSA-N 465.918 4.924 10 1 JJCF O=C(C(=O)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1 587603143 MVPYJQASUQPTQO-FIPFOOKPSA-N 450.446 4.701 10 1 JJCF O=[N+]([O-])c1cc(Br)cc([C@H]2NC3(CC3)Cc3ccc(Br)cc32)c1O 961318079 FODNCSGOVMLMOQ-HNNXBMFYSA-N 454.118 4.593 10 1 JJCF CC(=Cc1ccccc1)C=C1SC(=S)N(CCCC(=O)Nc2ccc(C(=O)O)c(O)c2)C1=O 1857622031 COFMYJWNXSFLKQ-UHFFFAOYSA-N 482.583 4.657 10 1 JJCF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587265262 VGTFWWHFTJHDNO-ZDUSSCGKSA-N 485.452 4.598 10 1 JJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1c([N+](=O)[O-])ccc(O)c12 587750404 HZUOZIAYCAXMII-RULNZOCKSA-N 483.293 4.573 10 1 JJCF COc1cc([C@@H]2CC(=O)c3c(cc4c(c3O)CC[C@@](C)(CCCC(C)(C)O)O4)O2)cc(O)c1O 1857636776 SJKDMNVGMFRHGQ-HFJWLAOPSA-N 472.534 4.543 10 1 JJCF O=C(c1cc[n+]([O-])cc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(C2(C(F)(F)F)CC2)cc1 473149186 IUENAJFZXLNZMZ-UHFFFAOYSA-N 496.894 4.599 10 1 JJCF O=C1c2ccccc2C(=O)c2c1ccc1nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c21 586998657 NJRAIGSMOOKGQJ-VMPITWQZSA-N 473.282 5.000 10 1 JJCF COc1ccccc1-n1c(O)c2c(c1O)C1(O[C@H]2c2ccccc2C)C(=O)c2ccccc2C1=O 169717944 WKIPIHOSPIAZQO-QHCPKHFHSA-N 467.477 4.600 10 1 JJCF CCN(CC)C(=O)N1CCN(Cc2cc(Nc3ccnc4cc(Cl)ccc34)ccc2O)CC1 29239528 ARBRQCGIQVHMFV-UHFFFAOYSA-N 468.001 4.917 10 1 JJCF COc1ccc(OCC(=O)N[C@H](c2ccc(OC)cc2)c2cc(Cl)c3cccnc3c2O)cc1 40891743 YQZBWJNBIMZQMS-XMMPIXPASA-N 478.932 4.896 10 1 JJCF CNc1ccc(Br)c2c1C(=O)c1ccccc1[C@]21CC(=O)c2cc(C)cc(N)c2O1 587370208 CAHNRAZOHARGNQ-XMMPIXPASA-N 463.331 4.835 10 1 JJCF O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(N2CCCCC2)cc1 1772642710 ITEQUDTWMLZYIE-NDEPHWFRSA-N 473.523 4.768 10 1 JJCF Cc1ccc(N2C(=O)/C(=C3\Sc4c(nc(C)[nH]c4=O)N3c3ccccc3)SC2=S)cc1 5724241 WGDYTWRXBLRJRR-HEHNFIMWSA-N 464.597 4.865 10 1 JJCF O=S(=O)(Nc1cc(Sc2ncn[nH]2)c(O)c2ccccc12)c1ccc(C(F)(F)F)cc1 38488520 RQHQZLZCASMJHR-UHFFFAOYSA-N 466.466 4.634 10 1 JJCF O=C(O)CN1C(=O)/C(=C/c2ccc3cc(OCc4ccc([N+](=O)[O-])cc4)ccc3c2)SC1=S 98084941 OXDRPJMNOJTYHC-JMIUGGIZSA-N 480.523 4.613 10 1 JJCF CN1CC[C@@H](CNC(=O)c2ccncc2Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)C1 1857541068 HOOQIXYPPUPSGW-IBGZPJMESA-N 491.599 4.609 10 1 JJCF O=C1N=C(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2O)S/C1=C1/C(=O)Nc2ccccc21 95557606 ONZSUIKQEKBFMN-QAHCAUCSSA-N 466.522 4.536 10 1 JJCF O=C1N=C(N2CCN(CCCc3ccccn3)CC2)S/C1=C\c1ccc(Cl)c(Cl)c1 96174486 ULRNMEHUMCOQTR-HKWRFOASSA-N 461.418 4.609 10 1 JJCF Cc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(O)c(C(=O)O)c1 103243378 ORIJRNZHCMUYQE-NHDPSOOVSA-N 464.568 4.899 10 1 JJCF CN1c2ccc(OC(=O)NCc3ccccc3)cc2C(=O)N2CCc3c([nH]c4ccccc34)[C@H]21 169341042 XBXZZFHJOIRRPN-VWLOTQADSA-N 452.514 4.603 10 1 JJCF CS(=O)(=O)Nc1ccc(O)c(-c2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)c1 586949733 YUGAEVZPOLZVLZ-UHFFFAOYSA-N 490.463 4.578 10 1 JJCF Cc1ccc2c(c1)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(=O)[C@@H](c1ccc(O)c(O)c1)O2 587831162 GZUJKDFGFAFMQH-JXTUCRGQSA-N 498.348 4.788 10 1 JJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCOCC3)cc2Br)N1 587675555 CNXYAYWYMQHMHC-ODXCJYRJSA-N 484.207 4.811 10 1 JJCF CCOc1ccc(-n2c(C)cc([C@H]3N[C@H](C(=O)O)Cc4cc(C)c(O)cc43)c2C)cc1OCC 963491952 OKXXCZQPTOCXEY-BKMJKUGQSA-N 464.562 4.594 10 1 JJCF Oc1cc(O)c2c(c1)C[C@H]1c3cc(O)c(O)cc3[C@@H](c3ccc(O)c(O)c3)Cc3cc(O)cc-2c31 12153343 GHKGLJBAXWBDGN-XLIONFOSSA-N 470.477 4.669 10 1 JJCF biogenic COc1cc(-c2nc([C@H]3CC(c4ccc(O)cc4)=NN3c3ccccc3)no2)cc(OC)c1OC 96911226 OENVQZOJWRILJB-OAQYLSRUSA-N 472.501 4.824 10 1 JJCF CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587198826 RSLAKUKKKYDOFG-UHFFFAOYSA-N 472.504 4.864 10 1 JJCF CCN(CCOC)c1ccc(OC)c2nc(-c3c(OC)cc(COC)cc3OC)c(C)cc12 95572571 SXJRHNDYINFHEQ-UHFFFAOYSA-N 454.567 4.855 10 1 JJCF CCN(CC)c1ccc([C@]2(CCCC(=O)O)c3c(ccc(OC)c3OC)C[C@H](C)N2C)cc1 962642462 VQKJQOZIINTHCB-UZTOHYMASA-N 454.611 4.925 10 1 JJCF CCCCO[C@H]1C[C@H](C(=O)NCc2ccc(N)cc2)N(C(=O)c2cccc(Oc3ccccc3)c2)C1 4202161 RHHYMWXQFKSHNY-RRPNLBNLSA-N 487.600 4.777 10 1 JJCF O=C(c1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1)N1CCC(O)CC1 1911581646 RJVSPMXQHAJCTH-UNOMPAQXSA-N 492.544 4.708 10 1 JJCF COc1ccc(C2=NN(C(C)=O)[C@H](c3ccc(N4CCN(Cc5ccccc5)CC4)cc3)C2)cc1 1857574108 LYRYRCUOKBXZHU-LJAQVGFWSA-N 468.601 4.715 10 1 JJCF Oc1cc2c3c(c1)[C@H]1c4c(cc(O)cc4[C@H]3[C@@H](c3ccc(O)c(O)c3)O2)O[C@H]1c1ccc(O)c(O)c1 2356621117 PKEVBTFRDVTGPT-KMKVIZFGSA-N 484.460 4.765 10 1 JJCF CO[C@H]1c2c(c(C(=O)CC(C)C)c(O)c3c(-c4ccccc4)cc(=O)oc23)O[C@H]1C(C)(C)O 13429384 BKXVARUZTSGCEV-LOSJGSFVSA-N 452.503 4.614 10 1 JJCF biogenic COc1c(Br)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1OC 587673520 NPCRKURTORCZLK-VXJOIVPMSA-N 475.152 4.697 10 1 JJCF Oc1cc(Oc2c(O)cc(Br)cc2Br)cc(Br)c1O 2356846954 OSEUKBRRZPIOHX-UHFFFAOYSA-N 454.896 4.883 10 1 JJCF COc1cc([C@H]2CC(=O)c3c(cc(O)c(C/C=C(\C)CCCC(C)(C)O)c3O)O2)cc(O)c1O 473131841 PMYDFIHKZVYFAG-CDXDBMBRSA-N 472.534 4.654 10 1 JJCF Nc1ccc(Oc2ccc3nc(CCN4C(=O)COc5cc(Br)ccc54)[nH]c3c2)cc1 587002168 IYYLFQNGEZADFQ-UHFFFAOYSA-N 479.334 4.668 10 1 JJCF O=S(=O)(O)c1ccc(N=Nc2ccc3c(S(=O)(=O)O)cccc3c2O)c2ccccc12 263602527 MKQVCJWNUFUUQK-UHFFFAOYSA-N 458.473 4.607 10 1 JJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCOCC3)cc2Cl)N1 587699891 YOPWCTRUAVNAFH-YEJXKQKISA-N 453.783 4.876 10 1 JJCF Oc1cc(Br)cc(Oc2cc(Br)cc(Br)c2O)c1O 2356824572 GWDIJRQTFFNFPS-UHFFFAOYSA-N 454.896 4.883 10 1 JJCF [N-]=[N+]=NC[C@@H](CCOC(c1ccccc1)(c1ccccc1)c1ccccc1)Cn1ccc(=O)[nH]c1=O 40565795 MTKFXHJJLUQLGB-JOCHJYFZSA-N 481.556 4.862 10 1 JJCF CCn1c(-c2cc(OC)c(O)c3c2C[C@H]2c4cc5c(cc4CCN2C3)OCO5)nc2ccccc21 1772617368 NFFNLBXOQJTCJX-QHCPKHFHSA-N 469.541 4.822 10 1 JJCF Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(-n2ccnc2C(C)C)cc1 72124264 PQRQTAXAJUSHKC-UHFFFAOYSA-N 456.546 4.878 10 1 JJCF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@H](c2ccc(O)c(O)c2)Oc2ccc(CC)cc21 587479995 KHZXGLYQKDFMMU-LBNVMWSVSA-N 474.509 4.882 10 1 JJCF O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(O)c(O)c21 587353173 MJMYQPKHIHCUJG-CUBQBAPOSA-N 468.436 4.790 10 1 JJCF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1cc(O)c(O)c([N+](=O)[O-])c1)c1ccccc1F 587569674 SARTVAISIQHOKG-NVQXNPDNSA-N 489.411 4.756 10 1 JJCF Cc1ccc(NC(=O)c2ccc(/N=N\N(C)CO)cc2)cc1Nc1nccc(-c2cccnc2)n1 13553269 CRNMRKUVIVTISX-MVJHLKBCSA-N 468.521 4.723 10 1 JJCF Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(-n2ccnc2C2CC2)cc1 72122728 WECAHWVWVASJQH-UHFFFAOYSA-N 454.530 4.632 10 1 JJCF CN(C)C(=O)c1ccc2c(c1)[C@@]1(NCC2)c2cc(Cl)cc(Cl)c2Oc2cc(O)cc(O)c21 962934171 VJCBUJADYMCUQF-XMMPIXPASA-N 471.340 4.650 10 1 JJCF Cc1cccc2c(Nc3ccc(NS(=O)(=O)CCCCN)cc3)c3ccc([N+](=O)[O-])cc3nc12 26936030 MCWFSDLZQMDUMC-UHFFFAOYSA-N 479.562 4.829 10 1 JJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(I)ccc2O)N1 587740922 YWXZIVVIBUHBEM-VVVCHXIZSA-N 476.127 4.696 10 1 JJCF CCOCCn1c2ccc([C@@H]3CCCCO3)cc2c2c3c(c4c(c21)CCc1nn(C)cc1-4)C(=O)NC3 49792908 ASSVMZXJIAJLTL-DEOSSOPVSA-N 484.600 4.815 10 1 JJCF COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(-c5nnn[nH]5)c4)c3C)SC2=S)cc1 73196622 MJXXDCSTPVYGTO-BKUYFWCQSA-N 488.598 4.689 10 1 JJCF Cc1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc2n1C[C@@H](O)CN1CCCC1 587591554 FTUXATORBAVSCE-AVSRNPDQSA-N 498.579 4.815 10 1 JJCF CC(C)=CCC1(CC=C(C)C)C(=O)C(=O)[C@H](O)[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587826307 ACLOLURNRJVFSQ-NFKSOIJDSA-N 478.402 4.529 10 1 JJCF CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccccc3)C[C@@H]2C(=O)NCc2ccc(N)cc2)cc1 4201157 PCCSYAMOLWOOGY-WKKZSFLPSA-N 497.639 4.908 10 1 JJCF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3ccccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c21 587169819 AYMXPXFUHVYVHF-UHFFFAOYSA-N 497.507 4.945 10 1 JJCF CCC(=O)CN(c1ccc(Cl)cc1)c1cc(-c2c[nH]c3ncc(-c4cnn(C)c4)cc23)nc(N)n1 1772629982 UVPFIXBNVGNVTE-UHFFFAOYSA-N 486.967 4.773 10 1 JJCF CCCN1C/C(=C\c2ccc(N(C)C)cc2)C2=NN(C(C)=O)[C@@H](c3ccc(N(C)C)cc3)[C@@H]2C1 82055860 IGXJJSYLULZUDE-IEHKFSOSSA-N 459.638 4.503 10 1 JJCF CC1(C)CCC[C@@]2(CO)[C@H]3CC[C@@H]4C[C@@]3(CC[C@H]12)C[C@@]4(O)COC(=O)C=Cc1ccc(O)c(O)c1 2356843000 NAPRTQGTRSLKIA-MHZZBTHTSA-N 484.633 4.791 10 1 JJCF CCOC(=O)Nc1cc(CO)cc(Nc2c3cccc(OC)c3nc3c(C(=O)NC)cccc23)c1 27524962 WSFTXFLCWLPFNI-UHFFFAOYSA-N 474.517 4.561 10 1 JJCF O=C1CS[C@H](c2ccc(O)cc2O)N1c1nnc(Cn2c3ccccc3c3ccccc32)s1 53276542 HPSADHVHLFNXND-HSZRJFAPSA-N 474.567 4.884 10 1 JJCF Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H]2c2cc(C4=CCCCC4)ccc2N(C)[C@H]3CO)cc1 95877707 NAGMWBNJBVQDGN-HRNNMHKYSA-N 452.620 4.515 10 1 JJCF CC(=O)C[C@@]1(c2cc(Br)ccc2O)N[C@H](C)Cc2ccc(F)c(Br)c21 587679674 NFNGQDIKEZZMMX-DGIBIBHMSA-N 471.164 4.813 10 1 JJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(I)cc2O)N1 587736582 BAPZHJVFAGJGBH-VPTHRUTESA-N 462.100 4.522 10 1 JJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)c1ccccc1O[C@H]2c1ccc(O)c(O)c1 587833586 NVONAKYVUGWRGJ-HJHHKFSJSA-N 484.321 4.746 10 1 JJCF Cn1ccc2ccc(-c3cnc4c(-c5csc(C(=O)NCC(F)(F)F)c5)cnn4c3)cc21 1857593514 FJGCZPIXTJBNIZ-UHFFFAOYSA-N 455.465 4.909 10 1 JJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCC4(CC3)OCCO4)cc2)N1 587766412 NHMBSWZVNQMGQE-IVZQSRNASA-N 461.375 4.555 10 1 JJCF Cc1ccc([C@@]2(CC(=O)c3cccc(Br)c3)NCCc3c2c(C(C)C)nn3C)c(O)c1 962914169 CUNIAJDUTXYOBX-RUZDIDTESA-N 482.422 4.982 10 1 JJCF Cc1cc2c(cc1O)[C@]1(C[C@@H](C)Cc3c1cc(C)n3-c1ccc(Cl)c([N+](=O)[O-])c1)N[C@H](C(=O)O)C2 963529137 VKOKYPXCQQQFLI-LPZPBRRZSA-N 495.963 4.786 10 1 JJCF CN(Cc1ccccc1)c1ccc([C@H](CC(N)=O)NC(=O)Cc2cccc3ccccc23)cc1[N+](=O)[O-] 15937483 POIQBGVSGLMIOL-VWLOTQADSA-N 496.567 4.660 10 3 JJCF Oc1ccccc1[C@H]1C=C(c2ccc3c(c2)OCO3)N[C@@H](c2ccc(Br)cc2)N1 2934327 OBLLTBUYKVHMMX-AUSIDOKSSA-N 451.320 4.857 10 1 JJCF COc1ccc([C@]2(c3ccccc3C(=O)O)NC3(CC3)Cc3ccc(Br)cc32)c(O)c1 961611710 CVJCUPUUFLRNRP-VWLOTQADSA-N 480.358 4.832 10 1 JJCF COc1cc(C)c(Cl)cc1C1=NN(c2ccc(S(N)(=O)=O)cc2)[C@@H](c2ccc(N(C)C)cc2)C1 73163128 NUVGBZFFZMKPKD-XMMPIXPASA-N 499.036 4.726 10 1 JJCF COc1ccc(C2=NN(C(C)=O)[C@H](c3ccc(N4CCN(Cc5ccccc5)CC4)cc3)C2)cc1OC 1857564752 ZGJSFIWQYSMRDC-NDEPHWFRSA-N 498.627 4.724 10 1 JJCF CN1c2ccccc2C(=O)N2CCc3c(n(C(=O)c4ccc(Cl)cc4)c4ccc(O)cc34)[C@@H]21 95553038 OBLUWWDZGGUOJS-XMMPIXPASA-N 457.917 4.836 10 1 JJCF O=S(=O)(Nc1cc(Sc2nnn[nH]2)c(O)c2ccccc12)c1ccc(-c2ccccc2)s1 84651931 QNDKYUXTOCOOTN-UHFFFAOYSA-N 481.584 4.739 10 1 JJCF O=C(/C=C/c1ccc(O)c(O)c1)NCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2 95576562 ZWOYDSCDPFSNLK-YRNVUSSQSA-N 451.954 4.810 10 1 JJCF COCCN1C(=CC=C2C=Nc3ccccc32)N(Cc2ccccc2)[C@@H]2C(=O)c3ccccc3C(=O)[C@@H]21 1857537752 NGSXTWIWHPCJHQ-WDYNHAJCSA-N 489.575 4.908 10 1 JJCF COc1cc(CC[C@H](O)CC(=O)CCc2cc(O)c(O)c(OCCCC(C)C)c2)ccc1O 2356416264 NSBRFLJHJILIEX-FQEVSTJZSA-N 460.567 4.513 10 1 JJCF COc1cccc(CN2C(=O)/C(=C/c3cc(C)n(-c4ccc(O)c(C(=O)O)c4)c3C)SC2=S)c1 103243409 BFGCQAUUYKDDHP-JJFYIABZSA-N 494.594 4.908 10 1 JJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(I)cnc3[nH]1)[C@H]1CC=C[C@@H]21 587276081 IWQMBVQYBCMSRA-IGCXYCKISA-N 473.274 4.606 10 1 JJCF COc1ccc(S(=O)(=O)Nc2nc(-c3cc(C(F)(F)F)ccc3F)cs2)cc1OC 13776382 HEONEOMFRWFNEL-UHFFFAOYSA-N 462.446 4.786 10 1 JJCF Cc1ccc(NC(=O)NCc2ccc(N(C)C)cc2)cc1Nc1nccc(-c2cccnc2)n1 28395254 VJZRVVINHMSYSJ-UHFFFAOYSA-N 453.550 4.978 10 1 JJCF O=C(c1ccccc1)c1cccc(/C=C2\SC(=S)N([C@@H](Cc3ccccc3)C(=O)O)C2=O)c1 96923607 SRWPVXTZYVJFJQ-YVUGPFRESA-N 473.575 4.815 10 1 JJCF Cc1ccc(-n2c(O)c3c(c2O)C2(N[C@H]3c3ccccc3)C(=O)c3ccccc3C2=O)cc1Cl 169717960 VPOSGPLTRVWLEB-QFIPXVFZSA-N 470.912 4.817 10 1 JJCF CCOC(=O)Cn1ccc(-c2cnc(N)c(O[C@H](C)c3c(Cl)ccc(F)c3Cl)c2)cc1=O 1857582411 YYIUNFDHPBMIHQ-GFCCVEGCSA-N 480.323 4.642 10 1 JJCF COc1cc([C@@H](CCc2ccccc2)CC(=O)C[C@H](O)CCc2ccc(O)c(O)c2)ccc1O 2356773580 CSCYONCTWIDJTI-JTHBVZDNSA-N 464.558 4.871 10 1 JJCF CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1cn(C[C@H](O)CN2CCCCC2)c2ccccc12 95554360 AVGWBOLBKYZGQW-ZXTKPNEHSA-N 477.008 4.948 10 1 JJCF Cc1c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc2n1C[C@H](O)CN1CCCC1 587512348 CPPKUTNOHYSYDG-ZBLYBZFDSA-N 458.602 4.992 10 1 JJCF COc1ccc(-n2c(C)cc3c2CC(C)(C)C[C@@]32NCCc3ccc(C(=O)N(C)C)cc32)cc1 962928027 GIAJCCRFYKZJMR-LJAQVGFWSA-N 457.618 4.858 10 1 JJCF NCCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc([N+](=O)[O-])ccc23)cc1 26849214 FSWJUUCQYYJFIJ-UHFFFAOYSA-N 479.562 4.911 10 1 JJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(I)c2O)N1 587738129 KEWKLNTWCXORLW-VXJOIVPMSA-N 462.100 4.522 10 1 JJCF COc1ccc(-n2c(C)cc3c2CC(C)(C)C[C@]32NCCc3ccc(C(=O)N(C)C)cc32)cc1 962928023 GIAJCCRFYKZJMR-GDLZYMKVSA-N 457.618 4.858 10 1 JJCF COc1cc(CC[C@@H]2C[C@@H](OC(C)=O)C[C@@H](c3cc(O)c(O)c(OC4CCCC4)c3)O2)ccc1O 2356359411 KDRVFDQLTPBYHV-LGVFNWMJSA-N 486.561 4.918 10 1 JJCF CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 586934674 CPTZVIHUNNQXNE-OAQYLSRUSA-N 468.604 4.710 10 1 JJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)C(=O)c2ccccc2)(c2ccccc2)N1 587816664 ZPKUHBQOWIZOBN-OYLFLEFRSA-N 452.323 4.818 10 1 JJCF Cc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(=O)[C@H](c1ccc(O)c(O)c1)O2 587831165 GZUJKDFGFAFMQH-LYGVVHPNSA-N 498.348 4.788 10 1 JJCF O=C(NCCCc1ccccc1)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12 45283968 OAWUNZLJZKZIPP-UHFFFAOYSA-N 487.006 4.508 10 1 JJCF Cc1ccc(-n2c(O)c3c(c2O)C2(N[C@@H]3c3ccccc3)C(=O)c3ccccc3C2=O)cc1Cl 169717959 VPOSGPLTRVWLEB-JOCHJYFZSA-N 470.912 4.817 10 1 JJCF c1csc(CNc2ncnc3c2nc(-c2ccc(N4CCCC4)cc2)n3C[C@@H]2CCCO2)c1 82190193 IHDMMAUQDZZERO-FQEVSTJZSA-N 460.607 4.946 10 1 JJCF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)c1ccccc1O[C@H]2c1ccc(O)c(O)c1 587618265 SXCBPPBXTPRTSL-MXSCXNJPSA-N 482.444 4.520 10 1 JJCF Cc1cc(C)c2c(c1O)[C@@H](NC(=O)CN1CCN(c3ccc(Cl)c(Cl)c3)CC1)C(C)(C)C2 26160618 FZDZMKLACAFRFJ-XMMPIXPASA-N 476.448 4.878 10 1 JJCF Cc1c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc2n1C[C@@H](O)CN1CCCC1 587512345 CPPKUTNOHYSYDG-KDYSTLNUSA-N 458.602 4.992 10 1 JJCF Cc1ccc(NC(=O)Cn2c(O)c(/N=N/C(=O)c3cc([N+](=O)[O-])ccc3O)c3ccccc32)cc1 101716644 SNYQCOQSBMEOFD-CYYJNZCTSA-N 473.445 4.832 10 1 JJCF CC(=O)Nc1cncc(C(=O)N[C@@H](C)Cc2ccc(C3CN(c4ccc(OCC5CC5)cc4)C3)cc2)c1 149635090 WSKZAEVYYHQCOC-FQEVSTJZSA-N 498.627 4.794 10 1 JJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])cc(Br)c2O)N1 587681996 YWUQILCZTSJQGQ-MLXNANBUSA-N 460.097 4.588 10 1 JJCF Cn1ccc2ccc(-c3cc(Nc4cnccc4C(=O)Nc4cncnc4)cc4nccnc34)cc21 1857569598 VODZTUQHGMHXRJ-UHFFFAOYSA-N 472.512 4.969 10 1 JJCF Nc1ccc(CCn2cnc3c(Nc4cccc(N)c4)nc(NCc4ccccc4)nc32)cc1 40934162 YWXRWMIFZSNCIH-UHFFFAOYSA-N 450.550 4.589 10 1 JJCF COc1cc(CC[C@@H]2C[C@@H](OC(C)=O)C[C@H](c3cc(O)c(O)c(OC4CCCC4)c3)O2)ccc1O 2356359412 KDRVFDQLTPBYHV-PQNGQFLHSA-N 486.561 4.918 10 1 JJCF CCCCO[C@H]1C[C@H](C(=O)NCc2ccc(N)cc2)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 4202233 HFCDSGKUEBFKHV-WUFINQPMSA-N 485.628 4.581 10 1 JJCF Cc1ccc(Cl)cc1N1CCN(CC(=O)N[C@@H]2c3c(O)c(C)cc(C)c3CC2(C)C)CC1 26165008 FDZKTAUOPVLQQC-RUZDIDTESA-N 456.030 4.533 10 1 JJCF Cc1ccnc(N2CCN(CC[C@H]3Cn4c(-c5ccc(O)c(O)c5)c(C)c5cccc(c54)O3)CC2)c1 26469682 RCVLKQGNIYPKGH-QFIPXVFZSA-N 484.600 4.705 10 1 JJCF CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](c2ccc(O)cc2O)NC(SCc2ccccc2)=N1 49053670 QZKXCRWQSNLJQJ-HSZRJFAPSA-N 490.541 4.852 10 1 JJCF COc1cc(-c2c3c4cc(O)c(O)cc4oc(=O)c3n3ccc4cc(O)c(O)cc4c23)ccc1O 238786360 PYYBNNNSEIYUEH-UHFFFAOYSA-N 471.421 4.556 10 1 JJCF COC(=O)c1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1N1CCCCC1 587766191 MISSSZIBXFTXMK-FPTDNZKUSA-N 461.375 4.989 10 1 JJCF O=C(O)[C@H]1Cc2cc(OC(F)(F)F)ccc2[C@@H](c2cc3ccccc3c(Br)c2O)N1 962624656 FDLPJCZXDZTAFA-AEFFLSMTSA-N 482.252 4.895 10 1 JJCF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@H](c2ccc(O)c(O)c2)Oc2ccc(C)cc21 587479847 JRXJWCNWZWOCJV-RPLLCQBOSA-N 460.482 4.628 10 1 JJCF O=C(O)CN1C(=O)/C(=C/c2ccc3cc(OCc4ccc(F)cc4)ccc3c2)SC1=S 98083208 DMBSMZCZORYHEF-JMIUGGIZSA-N 453.516 4.844 10 1 JJCF CN(C)c1ccc([C@@H]2NC(=O)NC(c3ccc(Cl)cc3)=C2c2ccc(S(C)(=O)=O)cc2)cc1 103262523 WYDXAVHWFXCSJC-DEOSSOPVSA-N 482.005 4.732 10 1 JJCF Cc1ccc2c(c1)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(=O)[C@H](c1ccc(O)c(O)c1)O2 587831171 GZUJKDFGFAFMQH-PUBVHKHVSA-N 498.348 4.788 10 1 JJCF Cc1ccc(C(=O)Nc2cccc(N(C)C)c2)cc1Nc1ncnc2cnc(N3CCCCC3)nc12 148215189 HQKYQGZIDPMCBD-UHFFFAOYSA-N 482.592 4.780 10 1 JJCF Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccc(Oc5ccc(N)cc5)cc4[nH]3)CC2)cc1 586955891 YNRUCMNQEIASAB-UHFFFAOYSA-N 462.575 4.814 10 1 JJCF Cc1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc2n1C[C@H](O)CN1CCCC1 587591559 FTUXATORBAVSCE-DONBXMGOSA-N 498.579 4.815 10 1 JJCF O=C(c1ccncc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(CCc2ncco2)cc1 113626353 ZOUPHAYDPRGXKH-UHFFFAOYSA-N 467.934 4.540 10 1 JJCF Oc1ccccc1[C@@H]1C=C(c2ccc3c(c2)OCO3)N[C@@H](c2ccc(F)c(Br)c2)N1 2936923 KVUIWDVVORHZSS-WMZHIEFXSA-N 469.310 4.996 10 1 JJCF COc1ccc(Cl)c2c1CCN[C@]21C[C@@H](c2ccc(O)cc2)Oc2c(C)c(O)c(C)c(O)c21 963271917 XJVNAZTYBFDAPT-RXFWQSSRSA-N 467.949 4.995 10 1 JJCF O=C1/C(=C/N2N=C(c3ccccc3)C[C@H]2c2ccccc2O)SC(=S)N1c1cccnc1 653857013 LCUYSPMFXPNWAA-AHFVYKFHSA-N 458.568 4.845 10 1 JJCF COC(=O)c1ccccc1-n1c(C)cc([C@@H]2N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c1C 962965575 LIHXGDYMTFMQOS-GCJKJVERSA-N 474.891 4.501 10 1 JJCF COc1cc(CC[C@@H]2C[C@H](OC(C)=O)C[C@H](c3cc(O)c(O)c(OC4CCCC4)c3)O2)ccc1O 2356359413 KDRVFDQLTPBYHV-ZFGGDYGUSA-N 486.561 4.918 10 1 JJCF CCOC(=O)/C=C1/SC(N2N=C(c3cc4ccccc4o3)C[C@@H]2c2ccc(F)cc2)=NC1=O 1857640117 APUSLJPOOSZVSA-KOMLCTQHSA-N 463.490 4.799 10 1 JJCF CCCc1c(O)ccc2c1O[C@@](c1cc(O)c(O)c([N+](=O)[O-])c1)(c1ccccc1F)CC2=O 587465378 CVKDKLHHWDHXOG-DEOSSOPVSA-N 453.422 4.712 10 1 JJCF COc1ccc(C[C@@]2(c3c(O)cc(O)cc3O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587811128 VJGDHUPCUDZNPG-RKNYENMMSA-N 488.353 4.734 10 1 JJCF CCN(CC)c1ccc(C=CC(=O)NCCN2CCC(N(C)[C@H]3CCCC[C@H]3C)CC2)cc1 1857621369 GBKLQKWGEDATFZ-KCWPFWIISA-N 454.703 4.637 10 1 JJCF CCOc1cc(/C=C2/SC(Nc3cccc(C(=O)O)c3)=NC2=O)cc(Br)c1OC 641969 XRFPZZQGAWWJRP-CXUHLZMHSA-N 477.336 4.637 10 1 JJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCOCC3)cc2Cl)N1 587691343 BDHMAYAYDGXWOL-YEJXKQKISA-N 453.783 4.876 10 1 JJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(I)ccc2O)N1 587737525 FSWVEGFRBHGCFF-VVVCHXIZSA-N 476.127 4.696 10 1 JJCF Cc1cccc(C(=O)c2cc(Cl)ccc2NS(=O)(=O)c2ccc(-c3cnco3)cc2)n1 34073378 XKQBFQCHXFDUKO-UHFFFAOYSA-N 453.907 4.730 10 1 JJCF Oc1ccccc1C1=NN(C(=S)Nc2ccccc2)[C@H](c2ccc(N3CCOCC3)cc2)C1 49089608 MIBCWCWMMIUCQK-DEOSSOPVSA-N 458.587 4.777 10 1 JJCF COc1ccc(CC(=O)O)cc1C(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1Cl 84615755 RLMRNLMNEJJASD-UHFFFAOYSA-N 494.352 4.661 10 1 JJCF CN(C)c1ccc([C@H]2NC(=O)NC(c3ccc(Cl)cc3)=C2c2ccc(S(C)(=O)=O)cc2)cc1 103262521 WYDXAVHWFXCSJC-XMMPIXPASA-N 482.005 4.732 10 1 JJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCC(C(=O)O)CC3)cc2)N1 587767004 IBFVIIAWTRQZJS-FATZIPQQSA-N 461.375 4.687 10 1 JJCF Cc1nn(C(=O)COc2ccc3c(C)cc(=O)oc3c2)c(C)c1/N=N/c1ccc(C(=O)O)cc1 45245779 YFLJWJLKFDKUEP-OCEACIFDSA-N 460.446 4.748 10 1 JJCF COc1cc2c3c(c1)O[C@@]1(CC[C@H]4[C@@H]5CC[C@H]6C(=O)C(=O)CC[C@]6(C)[C@H]5CC[C@@]41C)[C@@H](C2)C3=O 587448026 XVVYXBGQDHYSKO-YVFRQFMNSA-N 462.586 4.972 10 1 JJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)c1ccccc1O[C@@H]2c1ccc(O)c(O)c1 587833585 NVONAKYVUGWRGJ-DDGIKJNYSA-N 484.321 4.746 10 1 JJCF COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4cc5c(cc41)C(=O)c1ccccc1C5=O)[C@@H](C2)C3=O 587448117 YUYMCFISXDORPY-UKJJDJLKSA-N 498.490 4.706 10 1 JJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2cc(O)cc(O)c2)(c2ccc(O)cc2O)N1 587819542 AVCSLXNNQKXFOQ-JEPZBNPHSA-N 486.337 4.902 10 1 JJCF Cc1cc(O)c2c3c4c(cc(O)c13)C(C)(C)C(=O)c1c(O)c(CNC(C)(C)C)c(O)c(c1-4)C2=O 1857749162 YLNSTENXXFAZTG-UHFFFAOYSA-N 461.514 4.544 10 1 JJCF CC(=O)C[C@@]1(c2cc(Br)ccc2O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587680316 PJFBEGHSYXOOIE-APBUJDDRSA-N 471.164 4.813 10 1 JJCF Nc1ccc(Nc2nc3ccccc3nc2S(=O)(=O)c2ccc(Br)cc2)cc1 72123050 INCUCEZBAIQZDV-UHFFFAOYSA-N 455.337 4.551 10 1 JJCF COc1cccc(NC(=O)Oc2ccc3c(c2)C(=O)N2CCc4c([nH]c5ccccc45)[C@H]2N3C)c1 169341048 OFNNLVIKOBPZPX-VWLOTQADSA-N 468.513 4.934 10 1 JJCF O=C1c2ccccc2C(=O)c2c1ccc1nc([C@@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c21 587166853 CCGUKLFBUYQQOU-FQEVSTJZSA-N 454.461 4.846 10 1 JJCF [N-]=[N+]=NCCCn1c2c(c3ccc([N+](=O)[O-])cc3c1=O)C(=O)c1cc(Br)ccc1-2 28711234 QKWFJZQRLCJDSG-UHFFFAOYSA-N 454.240 4.584 10 1 JJCF CNc1ccc(Br)c2c1C(=O)c1ccccc1[C@@]21CC(=O)c2cc(C)cc(N)c2O1 587370205 CAHNRAZOHARGNQ-DEOSSOPVSA-N 463.331 4.835 10 1 JJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCN(C)CC3)cc2Cl)N1 587695627 OHILCURCKYJPFK-YEJXKQKISA-N 452.799 4.617 10 1 JJCF Nc1ncc(-c2ccc(OCCN3CCOCC3)cc2)cc1OCc1c(Cl)cccc1Cl 38430599 SWSODYAMDICARQ-UHFFFAOYSA-N 474.388 4.928 10 1 JJCF CCOC(=O)C1CCN(c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)CC1 587765041 BHLLKJBMXOTZCD-NPMXOYFQSA-N 475.402 4.991 10 1 JJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(c3cc(O)c(O)c(O)c3)Oc3ccccc32)N1 587845164 ZDDAUHYSOIHVHF-FNODVLLQSA-N 484.321 4.916 10 1 JJCF COC(=O)c1ccccc1NC(=O)COC(=O)c1ccccc1/N=N\c1ccc(N(C)C)cc1 17860096 VCXCXPZXYKZPAB-DQSJHHFOSA-N 460.490 4.750 10 1 JJCF COc1cc2c3c(c1)O[C@H](c1c(C)n(CC(=O)N4CCCC[C@@H]4C)c4ccccc14)[C@@H](C2)C3=O 587440384 YYBLQKNUVIMTMK-REZWUIBCSA-N 458.558 4.848 10 1 JJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(I)ccc2O)N1 587737526 FSWVEGFRBHGCFF-XLFHBGCDSA-N 476.127 4.696 10 1 JJCF COC(=O)C1CCN(c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)CC1 587771115 VLMUMSPCKLIRIN-RCDICMHDSA-N 461.375 4.601 10 1 JJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](C(=O)O)N3)N1 587794695 PIIRWFXVCWCAAV-LNYJWUJRSA-N 471.370 4.924 10 1 JJCF O=C(Nc1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1)C1=CC=CCC1=S 28128162 JQEBKNDTHKOSGV-UHFFFAOYSA-N 456.552 4.884 10 1 JJCF CN(C)c1ccc([C@@H]2CC(c3ccccc3)=NN2C2=NC(=O)/C(=C3\C(=O)Nc4ccccc43)S2)cc1 95556872 XFQIZGJQGGVATP-BJAIWJEPSA-N 493.592 4.897 10 1 JJCF Oc1ccccc1C1=C[C@]2(c3ccsc3CCN2Cc2cccnc2)c2ccc(O)c(O)c2O1 963000100 ULUNABVDOIRDHZ-MHZLTWQESA-N 470.550 4.995 10 1 JJCF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@@H]3c3c(F)ccc(F)c3O)nc(Cl)nc21 963930165 XPLQMYGPGVGEFT-LJQANCHMSA-N 471.895 4.902 10 1 JJCF CCOC(=O)COc1ccc(C(=O)c2ccc(O)c(CN(CC)CC)c2)c(Cl)c1Cl 29348098 DUWXBJVOKOPPBN-UHFFFAOYSA-N 454.350 4.714 10 1 JJCF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1cc(O)c(O)c([N+](=O)[O-])c1)c1ccccc1F 587569668 SARTVAISIQHOKG-ATIYNZHBSA-N 489.411 4.756 10 1 JJCF O=C(Nc1ccc(F)c(F)c1)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12 28870678 PKEAWWKMYSOLJL-UHFFFAOYSA-N 480.905 4.676 10 1 JJCF Cc1ccc(N2CCN(C[C@@H](O)COc3ccc4c(c3)CCCN4Cc3ccccc3)[C@@H](C)C2)cc1 169369749 VNQBAVZVWMUZHC-ABYGYWHVSA-N 485.672 4.898 10 1 JJCF COc1cc([C@@H]2CC(=O)c3c(cc4c(c3O)CC[C@](C)(CCCC(C)(C)O)O4)O2)cc(O)c1O 1857636777 SJKDMNVGMFRHGQ-QYBDOPJKSA-N 472.534 4.543 10 1 JJCF COc1cccc(CNc2ccc(S(=O)(=O)Nc3ncc(-c4ccccc4)s3)cc2)c1O 103266500 TVRYXKQZKQZCAF-UHFFFAOYSA-N 467.572 4.937 10 1 JJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1c([N+](=O)[O-])ccc(O)c12 587750836 JWEWLKXVWMITDT-BSNNYGBQSA-N 483.293 4.573 10 1 JJCF O=C1c2ccccc2C(=O)C1[C@]1(c2ccccc2)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963190908 YEBUJUZQZGEJKB-IQGLISFBSA-N 499.872 4.897 10 1 JJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(c3ccccc3)Oc3cc(O)c(O)c(O)c32)N1 587840540 YXNXZBCVTQMYME-FNODVLLQSA-N 484.321 4.916 10 1 JJCF COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)[C@H](c1ccc(O)c(O)c1)CC(=O)N3 1857756210 UONGUGLIPQRHFL-AWEZNQCLSA-N 475.497 4.913 10 1 JJCF O=C(COc1ccccc1)N[C@H](c1ccccc1Cl)c1cc([N+](=O)[O-])c2cccnc2c1O 40404284 PZGYPDNJITYKKY-JOCHJYFZSA-N 463.877 4.787 10 1 JJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(c3ccc(O)cc3)Oc3cc(O)cc(O)c32)N1 587837205 DHLPSFGANGIKEE-OIRASMEMSA-N 484.321 4.916 10 1 JJCF CCOC(=O)CC[C@@]1(c2ccc(N(C)C)cc2)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963179530 MDFKMAGLPJTTPN-OFNKIYASSA-N 498.929 4.611 10 1 JJCF Cc1ccc(S(=O)(=O)N(CC(=O)N=Nc2c(O)[nH]c3ccccc23)c2cccc(C)c2)cc1 253981547 DIGHKHOTMPXOFV-UHFFFAOYSA-N 462.531 4.996 10 1 JJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCOCC3)cc2Br)N1 587680137 SMXOBHKMMNCIIT-MPBGBICISA-N 484.207 4.811 10 1 JJCF CCN(CC)C(=S)/N=N/c1c(O)n(CN2CCN(Cc3ccccc3)CC2)c2ccccc12 101031800 HYPUTVKBQSUNLI-CYYJNZCTSA-N 464.639 4.833 10 1 JJCF CC(=O)Nc1cncc(C2=NN(C(=O)c3ccc(-c4ccccn4)s3)[C@@H](c3ccccc3O)C2)c1 71340358 CBMCUHUKYJZZJE-JOCHJYFZSA-N 483.553 4.861 10 1 JJCF Oc1ccccc1[C@H]1C=C(c2ccc3c(c2)OCO3)N[C@H](c2ccc(F)c(Br)c2)N1 2936925 KVUIWDVVORHZSS-XXBNENTESA-N 469.310 4.996 10 1 JJCF O=C(c1ccccc1)c1ccccc1Nc1nc(Nc2ccc3c(c2)OCO3)ncc1[N+](=O)[O-] 38792060 PXURYSTWORVYMG-UHFFFAOYSA-N 455.430 4.832 10 1 JJCF CC(C)n1cc(-c2cnc3[nH]cc(-c4cc(N5CCc6cc(F)ccc65)nc(N)n4)c3c2)cn1 169700757 FNVONFNKBRTATM-UHFFFAOYSA-N 454.513 4.880 10 1 JJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(c1ccc(O)cc1)=COc1cc(O)cc(O)c12 587837563 IOTNRNSPGKSGAO-OIRASMEMSA-N 484.321 4.916 10 1 JJCF Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](OCc1ccc(OC(F)(F)F)cc1)C2 28385907 ASSARCWFLDSURJ-FGZHOGPDSA-N 464.392 4.669 10 1 JJCF CN1CCN(C(=O)c2cccc3c(NCCc4c[nH]c5ccccc45)c4ccccc4nc23)CC1 28570992 ACEVHWPJPKVUTO-UHFFFAOYSA-N 463.585 4.912 10 1 JJCF CCOc1ccc2cc([C@@H]3CC(c4ccc(O)cc4)=NN3C(=O)CCCC(=O)O)c(Cl)nc2c1 1911581838 ISUDIVWIUIJRST-QFIPXVFZSA-N 481.936 4.925 10 1 JJCF Cc1cc(C)c2c(c1O)[C@@H](NC(=O)CN1CCN(c3cccc(Cl)c3Cl)CC1)C(C)(C)C2 26159134 XYVZEXDPWADPOI-XMMPIXPASA-N 476.448 4.878 10 1 JJCF COc1cc(Br)cc(C=O)c1OCc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 586979786 BEMDWZVOZUMLOZ-UHFFFAOYSA-N 491.297 4.501 10 1 JJCF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@](Cc2ccc(F)cc2)(c2ccc(O)cc2O)N1 963168411 CYZZOTUAVACBDI-FDDCHVKYSA-N 495.856 4.994 10 1 JJCF COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1cc(C)c(-c2ccccc2F)s1 95598615 HKMSYBWYEFFOBE-CALCHBBNSA-N 489.638 4.859 10 1 JJCF COc1ccc2c(c1)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1c(O)cc(O)cc1O2 587837571 IQYOUHGASGFRSB-QVQLBTGDSA-N 472.310 4.940 10 1 JJCF CCc1nc(N)nc(N)c1-c1ccc(Cl)c(N=NN(CCOC(C)=O)Cc2ccccc2)c1 263620943 QKBISNUGIKKCIM-UHFFFAOYSA-N 467.961 4.588 10 1 JJCF in-vitro Cc1cc([C@H]2N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c(C)n1-c1cc(F)cc(F)c1 962996718 QNIBJEMMQJIVGI-GHTZIAJQSA-N 452.835 4.992 10 1 JJCF CC1=C[C@@H]2C[C@H](C)CC[C@@H]2[C@](C)(C(O)=C2C(=O)N(C)C(CO)=C2O)[C@@H]1C=CC=CC[C@H](C)O 2356351594 AWQOATNHYGPPIM-HJQCHIKCSA-N 457.611 4.551 10 1 JJCF COCCCN1CCc2ccc(OC)cc2[C@]1(C)c1c(O)ccc(Br)c1Cl 961327111 SWRBFZYAPVLOGW-OAQYLSRUSA-N 454.792 4.975 10 1 JJCF CCOC(=O)C1CCN(c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)CC1 587766210 GEYOOXUMJJWIEJ-IQMFZBJNSA-N 475.402 4.991 10 1 JJCF CC[C@@H]1CN2CCc3cc(OC)c(OC)c(O)c3[C@H]2C[C@@H]1CC1=NCCc2cc(O)c(OC)cc21 2356596275 DXPFGVRAUALPBT-GTCCEBARSA-N 480.605 4.504 10 1 JJCF CCOc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cccs2)cc1 95598536 FPQRDSVYFZQCOD-HDICACEKSA-N 471.648 4.801 10 1 JJCF CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1cc(Br)cc(Br)c1O 95562811 AZFIFXZDAIBRQM-INIZCTEOSA-N 456.109 4.754 10 1 JJCF COc1cccc2cc3c(nc12)[C@H](c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1)NCC3 963056195 LGVMJAMAKZKKDW-VWLOTQADSA-N 474.605 4.536 10 1 JJCF COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc(C)cc2nc2cc([N+](=O)[O-])ccc12 26851544 GKCKJTXXAWXZFL-UHFFFAOYSA-N 452.492 4.728 10 1 JJCF O=C(N[C@H](c1ccccc1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)c1ccccc1 587222967 MRSOYEUGFCKXIL-XMMPIXPASA-N 457.489 4.858 10 1 JJCF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@@]1(C)c1ccc(O)c(O)c1 962988101 FKJXABAKDGXKHU-HHHXNRCGSA-N 495.959 4.690 10 1 JJCF Cc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(=O)[C@@H](c1ccc(O)c(O)c1)O2 587616803 MBHWMZGSZKZRTJ-WIDNXDAUSA-N 496.471 4.672 10 1 JJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCN(C)CC3)cc2Cl)N1 587695623 OHILCURCKYJPFK-ASSNKEHSSA-N 452.799 4.617 10 1 JJCF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)cc2N1 587126194 XARFNHJWVSYCPD-QLJPJBMISA-N 451.408 4.509 10 1 JJCF CC(=O)C[C@]1(c2cc(Br)ccc2O)N[C@H](C)Cc2ccc(F)c(Br)c21 587679676 NFNGQDIKEZZMMX-GIGQVBGESA-N 471.164 4.813 10 1 JJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\c2cc(O)cc(O)c2)(c2ccc(O)cc2O)N1 587819981 CJPKZLSNISTWLX-GZQPVJOUSA-N 486.337 4.902 10 1 JJCF CC(C)CNC(=O)c1cccc2nc(-c3ccc(COC(=O)c4ccc(O)c(O)c4)cc3)oc12 653834536 KKLVNFCXOKDYHF-UHFFFAOYSA-N 460.486 4.649 10 1 JJCF Oc1ccc([C@H]2c3c(O)cc(O)cc3[C@@H]3[C@@H](c4ccc(O)c(O)c4)c4c(O)cc(O)cc4[C@H]23)cc1 14636230 CQANGYATKKFCOC-KBJUPQRZSA-N 470.477 4.784 10 1 JJCF Nc1ccc(Oc2ccc3nc(CS(=O)(=O)Nc4ccc(N5CCCCC5)cc4)[nH]c3c2)cc1 586951329 VAFQKXYIIVHDJI-UHFFFAOYSA-N 477.590 4.870 10 1 JJCF COc1cc2c3c(c1)O[C@]1(CC[C@H]4[C@@H]5CC[C@@H]6C(=O)C(=O)CC[C@]6(C)[C@H]5CC[C@@]41C)[C@@H](C2)C3=O 587448018 XVVYXBGQDHYSKO-CAMIGSEXSA-N 462.586 4.972 10 1 JJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCOCC3)c(Br)c2)N1 587675474 BTXMRDIWDVKXAY-YUNKPMOVSA-N 484.207 4.811 10 1 JJCF CN1C[C@H](c2ccc(OC(F)(F)F)cc2)[C@@]2(Cc3ccccc3C2=O)C12C(=O)c1ccccc1C2=O 195524280 GNXRVTTXUQJDSZ-ATIYNZHBSA-N 491.465 4.858 10 1 JJCF Cc1c(-c2cncc(F)c2)nc2cnccc2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21 118093567 FRSSNWWXARFEQP-UHFFFAOYSA-N 470.552 4.800 10 1 JJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](C(=O)O)N3)N1 587795982 PIIRWFXVCWCAAV-CKZRJVBBSA-N 471.370 4.924 10 1 JJCF CNC(=O)c1cccc(-c2cccc(Cc3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)c2)c1 587236448 WLJHIAUMJDWKFI-UHFFFAOYSA-N 471.516 4.956 10 1 JJCF CN(CC(=O)N[C@@H](c1cccc([N+](=O)[O-])c1)c1cc(Cl)c2cccnc2c1O)Cc1ccccc1 40898535 SERWBTCJOSXMQR-DEOSSOPVSA-N 490.947 4.840 10 1 JJCF O=C(COc1ccccc1)N[C@@H](c1cccc([N+](=O)[O-])c1)c1cc(Cl)c2cccnc2c1O 40933723 LBWKSAOORAPGFH-QFIPXVFZSA-N 463.877 4.787 10 1 JJCF COc1cc(CC[C@@H](O)CC(=O)CCc2cc(O)c(O)c(OCCCC(C)C)c2)ccc1O 85625904 NSBRFLJHJILIEX-HXUWFJFHSA-N 460.567 4.513 10 1 JJCF biogenic,in-vitro CCOc1ccc(-n2c(C)c3c(C)nnc(N4CCC5=C(C4)N[C@H]4C=CC=C[C@H]54)c3c2C)cc1 101034433 TWLXCPIOYOMVNR-VWNXMTODSA-N 453.590 4.923 10 1 JJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCOCC3)cc2Br)N1 587680138 SMXOBHKMMNCIIT-ODXCJYRJSA-N 484.207 4.811 10 1 JJCF CCOC(=O)/C=C1/SC(N2N=C(c3cc4ccccc4o3)C[C@@H]2c2ccc(OC)cc2)=NC1=O 1857756599 WQUIDWAHPSVQQN-VZMFNRANSA-N 475.526 4.669 10 1 JJCF CCc1nc(N)nc(N)c1-c1ccc(Cl)c(/N=N/N(CCOC(C)=O)Cc2ccccc2C)c1 13863507 QIGDCGPOOCFANG-NVQSTNCTSA-N 481.988 4.896 10 1 JJCF Oc1cc(Br)c(O)c([C@H]2NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)c1 962950183 CHYUOUDPUBNHEW-KRWDZBQOSA-N 458.274 4.620 10 1 JJCF Oc1ccccc1[C@@H]1C=C(c2ccc3c(c2)OCO3)N[C@H](c2ccc(Br)cc2)N1 2934335 OBLLTBUYKVHMMX-CVDCTZTESA-N 451.320 4.857 10 1 JJCF CCc1nc(N)nc(N)c1-c1ccc(Cl)c(/N=N/N(CCOC(C)=O)Cc2ccc(F)cc2)c1 13863499 RNAPBKRIXYBLAL-NVQSTNCTSA-N 485.951 4.727 10 1 JJCF CC=C(C)C(=O)O[C@@H]1C[C@](O)(C(C)C)[C@@H]2[C@H](OC(=O)c3ccc(O)c(O)c3)CC(C)=CC[C@]21C 2356572085 OIVJYFMVWBPZSP-RVYQAKIESA-N 472.578 4.655 10 1 JJCF Cc1cc(OC[C@]2(c3ccc(O)cc3O)N[C@H](C(=O)O)Cc3c2cnc2ccccc32)ccc1Cl 963230144 LPBRMXVWGNCLRP-RPLLCQBOSA-N 490.943 4.529 10 1 JJCF COc1ccc(S(=O)(=O)Nc2ccc(O)c(-c3c(O)ccc4ccccc34)c2)c(OC)c1 40916198 GRYLCNUPJYKZOD-UHFFFAOYSA-N 451.500 4.736 10 1 JJCF Cc1cccc(O)c1[C@H]1N[C@H](C(=O)Nc2ccc3[nH]c4ccccc4c(=O)c3c2)Cc2ccccc21 963034121 YIHFSCNGJVQNNM-LSYYVWMOSA-N 475.548 4.938 10 1 JJCF O=c1cc(-c2ccccc2Cl)oc2c(NS(=O)(=O)c3cccc4nsnc34)ccc(O)c12 13661149 IMOFNLIYQXJCPT-UHFFFAOYSA-N 485.930 4.625 10 3 JJCF COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2csc(C)c2)cc1F 35999196 ZUFXCYHDZSDIDZ-IYBDPMFKSA-N 489.638 4.859 10 1 JJCF COc1cc(Br)c([C@@H](N)c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc1OC 586974999 IITIHYPGEUOQFR-OAQYLSRUSA-N 469.339 4.765 10 1 JJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(I)ccc2O)N1 587740951 ZFIKDNQRKLTELN-VPTHRUTESA-N 462.100 4.522 10 1 JJCF O=C(O)c1ccccc1OC[C@@]1(c2ccc(O)cc2O)c2ccsc2CCN1Cc1ccco1 962702538 AUWFGKFINQWMQU-AREMUKBSSA-N 477.538 4.831 10 1 JJCF COc1ccc(Cc2nnc(/N=N\c3c(O)[nH]c4ccc(Br)cc34)nc2O)cc1 13544775 XRJVEQHIZVQEAX-LCUIJRPUSA-N 455.272 4.541 10 1 JJCF CCc1nc(N)nc(N)c1-c1ccc(Cl)c(/N=N/N(CCOC(C)=O)Cc2cccc(F)c2)c1 13863497 XIHSMJLUOGBNQP-NVQSTNCTSA-N 485.951 4.727 10 1 JJCF CNc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cc(NC(=O)OC)ccc12 29468762 LGCSJYJOVZAZSE-UHFFFAOYSA-N 465.535 4.723 10 1 JJCF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c21 587081771 FOXRMUBNJAFKMI-UHFFFAOYSA-N 454.873 4.892 10 1 JJCF COc1ccc([C@]2(c3ccc(Cl)cc3)N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c(O)c1 962973349 KHQXVTMOSHOLNT-MBSDFSHPSA-N 480.294 4.877 10 1 JJCF COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c(CN(C)C)cccc12 26842692 KANJADYTBUCFEA-UHFFFAOYSA-N 450.564 4.573 10 1 JJCF Cc1cc(O)c(C2=NN(c3ccc(S(N)(=O)=O)cc3)[C@H](c3ccccc3)C2)c(C)c1Cl 82152203 NBLONOUUABXDBZ-FQEVSTJZSA-N 455.967 4.666 10 1 JJCF CC(=O)Nc1ccc2c(Nc3ccc(NS(=O)(=O)CCCCN)cc3)c3ccccc3nc2c1 26836948 KSYXWHMUUQUIFQ-UHFFFAOYSA-N 477.590 4.571 10 1 JJCF COc1cc(C)c(Cl)cc1C1=NN(c2ccc(S(N)(=O)=O)cc2)[C@H](c2ccc(N(C)C)cc2)C1 73163124 NUVGBZFFZMKPKD-DEOSSOPVSA-N 499.036 4.726 10 1 JJCF CC(C)Cn1c2ccc(Nc3ncccn3)cc2c2c3c(c4c(c21)CCc1c-4cnn1C)C(=O)NC3 84605249 DRYNJZPKJNJTOC-UHFFFAOYSA-N 477.572 4.727 10 1 JJCF CC(C)S(=O)(=O)N1CCN(c2ccc(/C=C/c3cc(F)cc(-c4ccncc4)c3)cc2)CC1 1857637528 FYXOMKGWMPRNRT-ONEGZZNKSA-N 465.594 4.918 10 1 JJCF CO[C@@H]1c2c(c(C(=O)CC(C)C)c(O)c3c(-c4ccccc4)cc(=O)oc23)O[C@H]1C(C)(C)O 13429378 BKXVARUZTSGCEV-JWQCQUIFSA-N 452.503 4.614 10 1 JJCF biogenic CC(C)(Oc1ccc(CCOc2ccc(/N=N/c3ccccc3)cc2)cc1)C(=O)NS(C)(=O)=O 1911579290 RLXUOSZEEBVSQV-CYYJNZCTSA-N 481.574 4.957 10 1 JJCF Cc1c(O)cc2c(c1O)[C@@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)c1ccccc1C2=O 587834123 RAAOKMOIHFSPKH-APXPCNQMSA-N 468.322 4.678 10 1 JJCF Cc1ccc(C)n1-c1ccccc1[C@@H]1C=Cn2c3c1c(=O)c(OC(C)C)c(OC(C)C)c-3n[nH]c2=O 5542869 PNFHIVLFAPPWPH-FQEVSTJZSA-N 486.572 4.635 10 1 JJCF Oc1ccccc1C1=NN(C(=S)Nc2ccccc2)[C@@H](c2ccc(N3CCOCC3)cc2)C1 49089609 MIBCWCWMMIUCQK-XMMPIXPASA-N 458.587 4.777 10 1 JJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCOCC3)c(Br)c2)N1 587675809 CYPAUMMGSUVDLT-ASSNKEHSSA-N 498.234 4.985 10 1 JJCF COc1ccc(-n2c(C)cc([C@@H]3c4ccccc4C[C@]4(C5CCC5)C(=O)NC(=O)N34)c2C)cc1OC 962668610 OGDNTSDRJWMOCR-WNJJXGMVSA-N 485.584 4.848 10 1 JJCF Nc1ccc(Oc2ccc3nc(CCNS(=O)(=O)c4c(Cl)cccc4Cl)[nH]c3c2)cc1 586942443 LONPKRUYPVFBNL-UHFFFAOYSA-N 477.373 4.765 10 1 JJCF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C=C(c1cc(O)c(O)c(O)c1)Oc1ccccc12 587613477 YEGPQMBNZGKCIJ-UFHPHHKVSA-N 482.444 4.800 10 1 JJCF O=C1c2ccccc2[C@]2(c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)c2c(O)cccc21 962621188 ANGLNPXVWLOJAJ-SLGOVJDISA-N 458.561 4.975 10 1 JJCF CN(C)CCNC(=O)c1cc2cc(OC(=O)Nc3ccccc3)ccc2c2nc3ccccc3nc12 13586920 BIPDYGUANBSSGX-UHFFFAOYSA-N 479.540 4.839 10 1 JJCF C[C@H](C(=O)NCC=C1c2ccccc2CCc2ccccc21)c1ccc(NS(C)(=O)=O)c(F)c1 73222859 SUKOQUMVRVDWFQ-SFHVURJKSA-N 478.589 4.647 10 1 JJCF CCOCCn1c2ccc([C@H]3CCCCO3)cc2c2c3c(c4c(c21)CCc1nn(C)cc1-4)C(=O)NC3 49792909 ASSVMZXJIAJLTL-XMMPIXPASA-N 484.600 4.815 10 1 JJCF CNc1ccc(NC)c2c1C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587581065 UXZCXJQFWRQTPC-IRPSRAIASA-N 478.504 4.925 10 1 JJCF COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cccc(F)c2F)cc1 95598590 JHZYWUIFYPCWIC-CALCHBBNSA-N 487.572 4.628 10 1 JJCF O=C1CSC(=S)N1[C@@H](Cc1ccccc1)c1nnc(-c2cccc(Br)c2)o1 103265675 VLBCLOYMQMIVAO-HNNXBMFYSA-N 460.378 4.643 10 1 JJCF COc1cccc(CNCCCNc2ccnc3cc(Cc4ccc5c(c4)OCO5)ccc23)c1O 72125737 YNBNWYVZRKENFH-UHFFFAOYSA-N 471.557 4.860 10 1 JJCF Nc1ccc(Oc2ccc3nc(-c4sccc4S(=O)(=O)Nc4cccnc4)[nH]c3c2)cc1 586952853 ISBGXFQNVSCUGG-UHFFFAOYSA-N 463.544 4.862 10 1 JJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1c([N+](=O)[O-])ccc(O)c12 587750839 JWEWLKXVWMITDT-RULNZOCKSA-N 483.293 4.573 10 1 JJCF Cc1cc(CC(=O)N[C@@H](C)c2ccc(O[C@@H]3CCN(c4ccc(OCC5CC5)cc4)C3)cc2)on1 1772617659 MITDNYKKSBPDIY-RXFWQSSRSA-N 475.589 4.849 10 1 JJCF CCOC(=O)COc1ccc(N2CCN(c3cc(-c4ccccn4)nc4ccccc34)CC2)cc1 96269556 IOCJYWLSXRUGLP-UHFFFAOYSA-N 468.557 4.565 10 1 JJCF COc1cc2c(cc1OC)[C@H](COc1ccc(N)cc1)N(C(=O)c1cccc(Br)c1)CC2 96906943 VRFFTZLYTSXVTG-QFIPXVFZSA-N 497.389 4.867 10 1 JJCF CCNc1ccc(NCC)c2c1C(=O)c1ccccc1[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587432921 NOFWSPYOQKZVIE-WHLCRQNOSA-N 454.526 4.794 10 1 JJCF Cc1cc(-c2nc3c4c(ccc3[nH]2)C(=O)c2ccccc2C4=O)ccc1NS(=O)(=O)C(F)(F)F 587125289 PFBROERBDLMQEK-UHFFFAOYSA-N 485.443 4.575 10 1 JJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCOCC3)c(Br)c2)N1 587675442 BLKLXBZIEFBOJL-ZSEKCTLFSA-N 498.234 4.985 10 1 JJCF O=C(O)c1cccc(-c2ccc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)o2)c1O 66112754 FVQPJQHWQQHPPP-UYRXBGFRSA-N 451.525 4.794 10 1 JJCF COc1ccc2c(c1)c([C@H]1NCCc3ccc(C(=O)N(C)C)cc31)c(C)n2Cc1ccccc1 962922756 HFXLFLAKICVBHA-NDEPHWFRSA-N 453.586 4.944 10 1 JJCF COc1ccccc1[C@@H]1NC(c2ccc3c(c2)OCO3)=C[C@@H](c2cc(Br)ccc2O)N1 2934403 APDYXZYEOWYUSC-YADARESESA-N 481.346 4.866 10 1 JJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)cc([N+](=O)[O-])c2O)N1 587684275 YYUGAHWZDMQVEU-MLXNANBUSA-N 460.097 4.588 10 1 JJCF Cc1c(O)nc(N(C)Cc2ccc(N3CCNCC3)cc2)nc1[C@H](C)c1c(Cl)cccc1Cl 653718328 AORIMFFTLGPFIE-MRXNPFEDSA-N 486.447 4.995 10 1 JJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(O)c(O)c([N+](=O)[O-])c2)(c2ccccc2F)N1 587725178 BVPPUQPRHUOILF-SAHAZLINSA-N 491.288 4.873 10 1 JJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(c3ccccc3)Oc3cc(O)c(O)c(O)c32)N1 587837420 GUDUCCPYJAOOQK-MCFWBGNESA-N 484.321 4.916 10 1 JJCF COc1ccc(C2=NN(C(C)=O)[C@@H](c3ccc(N4CCN(c5ccccc5)CC4)cc3)C2)cc1OC 1857577950 IHRIEBNNBQZMSL-HHHXNRCGSA-N 484.600 4.728 10 1 JJCF CC(=O)C[C@]1(c2cc(Br)ccc2O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587680322 PJFBEGHSYXOOIE-OVWNDWIMSA-N 471.164 4.813 10 1 JJCF O=C(O)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc3ccccc3c2)SC1=S 73224527 DAYICSHGSODSCK-BKUYFWCQSA-N 471.563 4.978 10 1 JJCF Cc1ccc(-c2nnc(CN3C(=O)C(=C4c5cccnc5-c5ncccc54)SC3=S)o2)cc1 1857560190 OSACQZMBCBRDIL-UHFFFAOYSA-N 469.551 4.635 10 1 JJCF CN1CC[C@@H](N(C)C(=O)c2ccncc2Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)C1 1857615037 KPBHAJBXPUDHEZ-JOCHJYFZSA-N 491.599 4.703 10 1 JJCF Cc1cc(O)c2c3c4c(cc(O)c13)C(C)(C)C(=O)c1c(O)c(CN3CCCCC3)c(O)c(c1-4)C2=O 1857748193 ZQHJSCCWKFSPIN-UHFFFAOYSA-N 473.525 4.642 10 1 JJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCc2ccc(O)cc2)(c2c(O)cc(O)cc2O)N1 587821686 JRFBBRFBLVQAEC-OZAJXLCCSA-N 488.353 4.821 10 1 JJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCOCC3)cc2Br)N1 587675554 CNXYAYWYMQHMHC-MPBGBICISA-N 484.207 4.811 10 1 JJCF COc1ccc2c(c1OC)[C@@H](c1cc(Br)cc(Br)c1O)N(C)[C@@H](C)C2 962628103 GTFUNTCEADXGBH-DYZYQPBXSA-N 471.189 4.900 10 1 JJCF COc1cc(OC[C@@H]2CC2(F)F)ccc1N1CC[C@@H](Oc2ccc([C@H](C)NC(C)=O)cc2)C1 1772611107 CMKLBDQBVLUBNH-XWFZLUIHSA-N 460.521 4.584 10 1 JJCF CC(=O)Nc1ccc(OCC(=O)N[C@@H](c2cccc(F)c2)c2cc(Cl)c3cccnc3c2O)cc1 40919229 RBGMULYHHYNGPN-DEOSSOPVSA-N 493.922 4.976 10 1 JJCF Cc1ccc(S(=O)(=O)Oc2ccc(-c3nc4ccccc4c(=O)n3-c3ccc(N)cc3)cc2)cc1 103188570 LGRMPNQCOZYYOT-UHFFFAOYSA-N 483.549 4.711 10 1 JJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCC(C(=O)O)CC3)cc2)N1 587772208 YJYHHKDZBQLXCM-LFVRLGFBSA-N 461.375 4.687 10 1 JJCF C[C@H](NC(=O)c1cnn2ccn(C)c12)c1ccc(O[C@@H]2CCN(c3ccc(OCC4CC4)cc3)C2)cc1 1772622244 VGLZATKDBANFPU-RXFWQSSRSA-N 499.615 4.610 10 1 JJCF COc1ccc(-c2nnc(-c3ccc4nc(/C=C\c5cc(O)c(O)c(OC)c5)[nH]c4c3)o2)cc1 587785182 IQHQPBVGCVAFDN-KMKOMSMNSA-N 456.458 4.879 10 1 JJCF Cc1cccc2c1[C@](CCC(=O)O)(c1ccc(N(C)C)cc1)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963904806 SXHUXYSDPXIZSI-DFHRPNOPSA-N 496.604 4.806 10 1 JJCF Oc1cc(Oc2cc(Br)cc(Br)c2O)cc(Br)c1O 2356815452 CRSLSKBTGDMSFL-UHFFFAOYSA-N 454.896 4.883 10 1 JJCF COc1ccc2c(c1OC)[C@@H](c1c(F)ccc(F)c1O)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963775581 KQBUYXYXDXLRPG-QHCPKHFHSA-N 492.478 4.526 10 1 JJCF CCOC(=O)c1c(CSc2cccc(N)c2)n(C)c2cc(Br)c(O)c(CN(C)C)c12 1772623500 CKHICRQRAHYUQP-UHFFFAOYSA-N 492.439 4.759 10 1 JJCF COc1ccc(N2CCOCC2)c2sc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)nc12 1772630721 NICZAVMJFTWKMC-UHFFFAOYSA-N 461.971 4.591 10 1 JJCF COc1cc(NS(=O)(=O)CCCCN)ccc1Nc1c2ccccc2nc2cc([N+](=O)[O-])ccc12 26847748 WFXSKYHLAJCBPD-UHFFFAOYSA-N 495.561 4.529 10 1 JJCF O=C1c2ccccc2C(=O)c2c1ccc1nc(CCn3ncc4cc(Br)ccc43)[nH]c21 587001162 CTDQBJIKEXJPKN-UHFFFAOYSA-N 471.314 4.693 10 1 JJCF COc1ccc([C@@]2(c3ccccc3O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587805029 CWDIHOAIGQWVTF-ZAMGYDSWSA-N 458.327 4.834 10 1 JJCF COc1cccc(CNc2ccc(S(=O)(=O)Nc3nc(-c4ccccc4)cs3)cc2)c1O 103266562 MCOSFFBFKYEFLL-UHFFFAOYSA-N 467.572 4.937 10 1 JJCF O=C1c2ccccc2C(=O)c2c1ccc1nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c21 587117951 HWCKDSAZZOVQDH-UHFFFAOYSA-N 489.251 4.559 10 1 JJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCOCC3)c(Br)c2)N1 587677175 JTDRCKCIFNDDLZ-FKIZINRSSA-N 484.207 4.811 10 1 JJCF CCN1CCN(c2ccc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2F)CC1 587724227 GFMNBZRLXUHGKC-WNSKOXEYSA-N 464.398 4.667 10 1 JJCF Cc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(=O)[C@@H](c1ccc(O)c(O)c1)O2 587833300 MYVNPJXZLJJIQL-QNPTVLGTSA-N 498.348 4.788 10 1 JJCF O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cccc([N+](=O)[O-])c2O)N1C(=O)c1ccc(Cl)cc1 963016783 MPTVGQBVIXDTLH-IFMALSPDSA-N 491.887 4.676 10 1 JJCF Cc1ccc(C(=O)c2cc(Cl)ccc2NS(=O)(=O)c2ccc(-c3cnco3)cc2)cn1 38734026 LMCTYGSRGRBZQE-UHFFFAOYSA-N 453.907 4.730 10 1 JJCF Cc1nc2ccccc2n1CC(=O)N(c1ccc(N)cc1)[C@H](C(=O)NC(C)(C)C)c1ccsc1 140325590 LZWVDHPGVGYCOZ-DEOSSOPVSA-N 475.618 4.678 10 1 JJCF COc1cc(I)cc([C@@H]2NCCc3c(Cl)cc(Cl)cc32)c1O 963108435 OCWSSGBEXRPGFR-OAHLLOKOSA-N 450.103 4.547 10 1 JJCF NCc1cccc(-c2ccc(C(=O)N3N=C(c4cccnc4)C[C@@H]3c3ccccc3O)s2)c1 43196060 AWKYBQKEOZWDCM-JOCHJYFZSA-N 454.555 4.966 10 1 JJCF CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 586934844 BIKUZSRBUHLMMZ-NRFANRHFSA-N 493.972 4.667 10 1 JJCF O=C(O)C1CCN(c2ccc([C@H]3c4ccccc4C[C@@H]4CN(c5ccccc5)CCN34)cc2)CC1 962635452 IAKJELITIHDZFR-PXJZQJOASA-N 467.613 4.824 10 1 JJCF CSc1ccc2c(cc1=O)[C@@H](NC(=O)c1ccc(Cl)cc1)CCc1cc(O)c(O)c(O)c1-2 1628470 BYNHVIFASNCTLV-KRWDZBQOSA-N 469.946 4.623 10 1 JJCF COc1c(Br)cc([C@H]2NCCc3cnc4c(OC)cccc4c32)c(O)c1Br 963055961 KOGMGKLRLYOVRX-GOSISDBHSA-N 494.183 4.718 10 1 JJCF C[N+](C)(C)c1ccc(CNC(=O)c2cc3cc(Cl)ccc3n2Cc2cccc(C(=N)N)c2)cc1 13474321 ZPWOHPSCGWSIDN-UHFFFAOYSA-O 475.016 4.754 10 1 JJCF O=C(c1ccc(-c2ccc(CO)cc2)s1)N1N=C(c2cccnc2)C[C@H]1c1ccccc1O 71331480 KRDKITRDISDJDG-QFIPXVFZSA-N 455.539 5.000 10 1 JJCF COc1ccc2[nH]c(O)c(/N=N/C(=O)c3ccc(NS(=O)(=O)c4cccs4)cc3)c2c1 102485273 PDBHEBYLVSTQLA-GHVJWSGMSA-N 456.505 4.669 10 1 JJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCc2ccc(O)cc2)(c2c(O)cc(O)cc2O)N1 587822938 RUOGEFGSUMBNKH-RKNYENMMSA-N 488.353 4.821 10 1 JJCF Cc1cc(O)c2c(c1)C(=O)c1cccc(O)c1[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587836239 ZXKAQSWTEUIRRY-OIRASMEMSA-N 468.322 4.678 10 1 JJCF CCN(CC)c1ccc(C=CC(=O)NCCN2CCC(N(C)[C@H]3CCCC[C@@H]3C)CC2)cc1 1857621368 GBKLQKWGEDATFZ-HOFKKMOUSA-N 454.703 4.637 10 1 JJCF O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2c1ccc(O)c2O 587346883 ALSKARIYQUMWNI-LXFBAYGMSA-N 468.436 4.790 10 1 JJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCc2ccc(O)cc2)(c2c(O)cc(O)cc2O)N1 587821688 JRFBBRFBLVQAEC-RKNYENMMSA-N 488.353 4.821 10 1 JJCF COc1c(O)c(O)cc2c1C=C[C@H]1[C@@H]2O[C@@H](CCc2ccc(O)c(CCC(C)C)c2)C[C@H]1O 2356582174 CJZULQRGPKBCAY-YESOXSADSA-N 454.563 4.867 10 1 JJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2cc(Br)ccc2O)N1 587675600 AKTKVTYPOOTIFD-GIGQVBGESA-N 487.163 4.699 10 1 JJCF CCOc1ccc([C@]2(c3ccccc3)N[C@@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)c(O)c1 962702624 RWQSNTGMNZKXMF-QPPBQGQZSA-N 475.438 4.840 10 1 JJCF Oc1cc(Br)cc(Oc2c(O)cc(Br)cc2Br)c1O 2356817408 DKRYYIIVJRUKGL-UHFFFAOYSA-N 454.896 4.883 10 1 JJCF Cc1c(I)cnn1[C@H](C)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587183183 WIDZPERBCZGKCB-GFCCVEGCSA-N 459.291 4.656 10 1 JJCF Cc1ccc([C@@]2(C)c3[nH]c4ccccc4c3C[C@@H]([C@@H](O)CC(=O)O)N2C(=O)OC(C)(C)C)c(O)c1C 963069424 TVEOCMDWXIBVHX-VPYPWEPUSA-N 494.588 4.751 10 1 JJCF COC[C@H]1C[C@@](CC(C)C)(C(=O)O)N(C(=O)c2ccc(C(C)(C)C)c(OC)c2)[C@H]1CN=[N+]=[N-] 1857617502 PFZRZBAQSPVPBZ-VUMVONDWSA-N 460.575 4.650 10 1 JJCF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@H](c2cc(Br)c(F)c(F)c2O)N1 963177681 DISXXOXXYNKUAL-RISCZKNCSA-N 486.618 4.793 10 1 JJCF COc1ccc2c(c1)C(=O)c1c-2n(-c2ccc(OCCCN(C)C)cc2)c(=O)c2cc(OC)ccc12 653840657 AUZAPDKLWBEFHV-UHFFFAOYSA-N 484.552 4.550 10 1 JJCF O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCCCCNS(=O)(=O)c1ccccc1 84705168 ODIBWFVPRMMAHV-UHFFFAOYSA-N 486.593 4.752 10 1 JJCF C[n+]1c2ccccc2c(Nc2ccc(NS(C)(=O)=O)cc2)c2cc(Br)ccc21 169339486 OWABFXOVYGSHPQ-UHFFFAOYSA-O 457.373 4.695 10 1 JJCF COc1cccc2c1Oc1cc(O)cc(O)c1[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587840050 HRLFUBJHYDKKDA-QVQLBTGDSA-N 472.310 4.940 10 1 JJCF CC(C)c1nn(C)c2c1[C@@](Cc1ccc(F)cc1)(c1ccc(Br)cc1O)NCC2 962920102 QXKWVADVXNMDLF-HSZRJFAPSA-N 458.375 4.783 10 1 JJCF COc1ccc(N2CCN(Cc3c(C)sc(N)c3C(=O)c3ccc(Cl)cc3)CC2)cc1 95557427 GTPCHQHXBLWZKO-UHFFFAOYSA-N 456.011 4.854 10 1 JJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2)(c2c(O)cc(O)cc2O)N1 587821858 KGGZTQBXOHWDJE-JCQPUDPBSA-N 458.327 4.726 10 1 JJCF CN(C)c1ccc(CN[C@@H]2CC(C)(C)[C@@H]3C[C@@](C)(O)CC[C@]32CCC(=O)N2CCCC2)cc1 2356822310 FUCZKIGKHASRRR-RQDZCNCFSA-N 455.687 4.581 10 1 JJCF CCCOC(=O)Nc1ccc2c(c1)c1c3c(c4c(c1n2CCC)CCc1nn(C)cc1-4)C(=O)NC3 36338910 QHABZPKWSAGTLE-UHFFFAOYSA-N 471.561 4.906 10 1 JJCF Cc1ccc(Nc2nc(/N=N\Cc3cccc(Br)c3)nc(N3CCOCC3)n2)cc1 169723736 GJIHCMISKAOVKV-NFFVHWSESA-N 468.359 4.807 10 1 JJCF CCOC(=O)C1CCN(c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)CC1 587766207 GEYOOXUMJJWIEJ-CMJOXMDJSA-N 475.402 4.991 10 1 JJCF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@H]1CCOCCOCCOCCN=[N+]=[N-] 961782720 ZNTCIBCEMQHOIJ-JOCHJYFZSA-N 489.617 4.629 10 1 JJCF Nc1ccc(NC[C@@H](O)CN2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 22941103 INUOCFOJUUCTSN-MUUNZHRXSA-N 494.630 4.550 10 1 JJCF O=C(Nc1ccc(O)c(C(=O)O)c1)c1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1 473150930 NNFOYNUZIIPCSP-NDENLUEZSA-N 476.535 4.749 10 1 JJCF COc1cc2c(cc1OC)[C@](c1ccc(C)cc1O)(C(F)(F)F)N(C(=O)c1ccccc1N)CC2 963134107 BGTZBXWLNCWKCD-RUZDIDTESA-N 486.490 4.804 10 1 JJCF COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)[C@@H](c1ccc(O)c(O)c1)CC(=O)N3 1857756211 UONGUGLIPQRHFL-CQSZACIVSA-N 475.497 4.913 10 1 JJCF O=C(Cc1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1)OCc1c(F)c(F)c(F)c(F)c1F 26501599 DCMKASUHEDBMJM-UHFFFAOYSA-N 498.492 4.565 10 1 JJCF COc1cc(C2(Nc3cc(Cl)ccc3OC)C(=O)c3ccccc3C2=O)c(Cl)cc1N 98084687 BRWFNHGDICGMTB-UHFFFAOYSA-N 457.313 4.979 10 1 JJCF Cc1ccc(S(=O)(=O)N(CC(=O)/N=N/c2c(O)[nH]c3ccccc23)c2cccc(C)c2)cc1 101884242 DIGHKHOTMPXOFV-CYYJNZCTSA-N 462.531 4.996 10 1 JJCF COc1ccc(CN2CC[C@H](CN3CC4(OC3=O)c3ccccc3-c3ccccc34)C2)c(O)c1 45189400 GOORTEMYJHGXHT-IBGZPJMESA-N 456.542 4.599 10 1 JJCF CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCN(Cc2ccc(N)cc2)C1 114099103 SNMIPBINTIEKJS-OAQYLSRUSA-N 472.029 4.590 10 1 JJCF Cc1cc(O)c2c(c1)C(=O)c1ccc(-c3ccc4c(c3O)C(=O)c3c(O)cc(C)cc3C4=O)cc1C2=O 238748493 YBKBFAVZVRKQLZ-UHFFFAOYSA-N 490.467 4.638 10 1 JJCF COC(=O)c1c(OCCN2CCCC2)c2ccccc2c2oc3c(c12)C(=O)c1ccccc1C3=O 28567978 MPRJXIBHCLPEPI-UHFFFAOYSA-N 469.493 4.623 10 1 JJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]1)[C@@H]1CC=C[C@@H]21 587277517 XMIODVUHHSQMIC-LPMFXHHGSA-N 478.452 4.900 10 1 JJCF C[C@@]1(c2cc(Br)cc(Cl)c2O)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962980514 UYVMLGFDNPQSIP-SJCJKPOMSA-N 467.093 4.602 10 1 JJCF COc1c(Br)cc([C@@H]2NCCc3cnc4c(OC)cccc4c32)c(O)c1Br 963056007 KOGMGKLRLYOVRX-SFHVURJKSA-N 494.183 4.718 10 1 JJCF O=C1c2ccc(OCCN3CCCCC3)cc2C(=O)[C@@]12C(c1ccc(O)cc1)=Cc1cc(O)ccc12 28760198 HSKXJPNHMGUVPL-PMERELPUSA-N 481.548 4.834 10 1 JJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(I)ccc2O)N1 587737527 FSWVEGFRBHGCFF-XYZCENFISA-N 476.127 4.696 10 1 JJCF CCOC(=O)CCC[C@]1(c2ccc(N(CC)CC)cc2)NC[C@H]2CC(=O)N(C)c3cccc1c32 963023949 JFDVGJHBWIQIJQ-PIIWDFAUSA-N 463.622 4.563 10 1 JJCF Cc1ccc(NC(=O)c2ccc(/N=N/N(C)CO)cc2)cc1Nc1nccc(-c2cccnc2)n1 100008964 CRNMRKUVIVTISX-QNEJGDQOSA-N 468.521 4.723 10 1 JJCF COc1c(Br)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1OC 587673517 NPCRKURTORCZLK-ANRSDYALSA-N 475.152 4.697 10 1 JJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(I)cc2O)N1 587736584 BAPZHJVFAGJGBH-ZKANADHPSA-N 462.100 4.522 10 1 JJCF Cc1c(O)cc2c(c1O)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)c1ccccc1C2=O 587834124 RAAOKMOIHFSPKH-BUBHHJDNSA-N 468.322 4.678 10 1 JJCF COc1cccc2cc3c(nc12)[C@](COc1ccc(C)c(C)c1)(c1ccc(O)cc1O)NCC3 963059072 SFCLJDMDHDCUGX-NDEPHWFRSA-N 456.542 4.740 10 1 JJCF Cc1ccc(N2CCN(CC(=O)N[C@H]3c4c(O)c(C)cc(C)c4CC3(C)C)CC2)cc1Cl 26171239 LNTPLYIYFNDUKU-VWLOTQADSA-N 456.030 4.533 10 1 JJCF O=C1c2ccc(O)cc2O[C@](c2ccc(O)cc2)(c2ccc(O)c(O)c2O)[C@@H]1c1ccc(F)cc1 587357602 USFJQHRPONYTEI-YIXXDRMTSA-N 474.440 4.656 10 1 JJCF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C=C(c1cc(O)c(O)c(O)c1)Oc1ccccc12 587613475 YEGPQMBNZGKCIJ-CUBQBAPOSA-N 482.444 4.800 10 1 JJCF COc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(-c5nnn[nH]5)c4)c3C)SC2=S)c1 73196479 LROXDZTUAZCFRE-MTJSOVHGSA-N 488.598 4.689 10 1 JJCF CSc1ccccc1[C@H]1CCCN1C(=O)[C@@H](CC(C)C)NC(=O)NCc1ccc(N)cc1 117850114 LHLXNADAGIEAJY-FGZHOGPDSA-N 454.640 4.568 10 1 JJCF Cc1cc(C)c2c(c1O)[C@H](NC(=O)CN1CCN(c3cccc(Cl)c3Cl)CC1)C(C)(C)C2 26159125 XYVZEXDPWADPOI-DEOSSOPVSA-N 476.448 4.878 10 1 JJCF COc1ccc(C[C@]2(c3c(O)cc(OC)cc3OC)NCCc3cc4cccc(OC)c4nc32)cc1 963049152 ANAKCJJRSFFVLD-GDLZYMKVSA-N 486.568 4.607 10 1 JJCF COc1c(O)c(O)cc([C@@H]2C[C@H](O)[C@@H]3CC[C@@H](c4ccc(O)cc4)C[C@H]3O2)c1Cc1cc[nH]c1 2356448407 CHHZHYXXSWTAQO-XUCXNMRJSA-N 465.546 4.506 10 1 JJCF Cc1cc(O)c(C2=NN(c3ccc(S(N)(=O)=O)cc3)[C@@H](/C=C/c3ccccc3)C2)cc1Cl 73163455 DALKXKJBXZFJQV-UCFODXPJSA-N 467.978 4.698 10 1 JJCF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(OCC(=O)O)cc1 587575581 FYYSTHHCQYNSAS-LEAFIULHSA-N 485.492 4.966 10 1 JJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccc(O)c(O)c2)(c2ccc(O)cc2O)N1 587824323 ZQYXTIUAZDRZPR-GFLQYKCBSA-N 486.337 4.902 10 1 JJCF N=C(N)NCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc(Cl)ccc23)cc1 26846242 BRCXKLZYGNNHLH-UHFFFAOYSA-N 497.024 4.790 10 1 JJCF CCOP(=O)(OCC)c1c2c(n(Cc3ccccc3Cl)c1O)C(=O)c1ccccc1C2=O 1857601856 JOESMZLZHJVZPY-UHFFFAOYSA-N 473.849 4.562 10 1 JJCF COc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3N(C)C)c3cccc(C)c3nc2c1 27726498 QEOXLGYHUKMIHK-UHFFFAOYSA-N 450.564 4.886 10 1 JJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(I)ccc2O)N1 587740157 WWGNQQJVVWTOLW-BCTVWOGZSA-N 462.100 4.522 10 1 JJCF COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587808953 OXUXGLKAYIHVHG-YDBLSZJJSA-N 498.348 4.687 10 1 JJCF COc1ccc(Nc2ncc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)c3ccccc23)cc1 4734283 UMMLVCRHMVPCBI-UHFFFAOYSA-N 468.557 4.958 10 1 JJCF Oc1ccccc1CN(CCCN(Cc1ccccn1)Cc1ccccc1O)Cc1ccccn1 45227113 YEUXNOAMWYQJRM-UHFFFAOYSA-N 468.601 4.983 10 1 JJCF COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccco2)cc1Cl 95598580 NPZAEIIEOYWQLE-IYBDPMFKSA-N 475.998 4.596 10 1 JJCF COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cccc(F)c2)s1 95598614 SMIIMFIUHIVKRZ-IYBDPMFKSA-N 475.611 4.550 10 1 JJCF CN(C)c1ccc(CN[C@@H]2CC(C)(C)[C@@H]3C[C@](C)(O)CC[C@@]32CCC(=O)N2CCCC2)cc1 2356822308 FUCZKIGKHASRRR-COHKGRJRSA-N 455.687 4.581 10 1 JJCF COc1ccc(OCC(=O)N[C@@H](c2ccc(OC)cc2)c2cc(Cl)c3cccnc3c2O)cc1 40891742 YQZBWJNBIMZQMS-DEOSSOPVSA-N 478.932 4.896 10 1 JJCF CCn1c(-c2cc(OC)c(O)c3c2C[C@@H]2c4cc5c(cc4CCN2C3)OCO5)nc2ccccc21 1772617367 NFFNLBXOQJTCJX-HSZRJFAPSA-N 469.541 4.822 10 1 JJCF Cc1oncc1C(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OCC4CC4)cc3)C2)cc1 1772654783 SAMOLBYTVVFHBH-AVRWGWEMSA-N 461.562 4.921 10 1 JJCF Nc1ccc(CCC(=O)Oc2ccc3c(c2)C(=O)N(c2ccc(C(F)(F)F)cc2)C3=O)cc1 53243703 DDBWPJQJRZDACZ-UHFFFAOYSA-N 454.404 4.626 10 1 JJCF CN1C[C@@H](c2ccc(C(F)(F)F)cc2)[C@@]2(Cc3ccccc3C2=O)C12C(=O)c1ccccc1C2=O 169568233 TZTYTUGQWBZLIA-BKMJKUGQSA-N 475.466 4.978 10 1 JJCF COc1cc(CCC(=O)C[C@H](O)C[C@H](CCc2ccccc2)c2cc(O)c(O)c(OC)c2)ccc1O 85625556 MFISMLYDFCARTL-XUZZJYLKSA-N 494.584 4.880 10 1 JJCF biogenic,in-vitro COc1cc(O)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br 587677251 JYYAIYHPZFDHRP-DYBLOJMWSA-N 459.153 4.863 10 1 JJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCN(C)CC3)cc2Cl)N1 587693794 KFBIPDKXRSTBKA-ASSNKEHSSA-N 452.799 4.617 10 1 JJCF CCCCNS(=O)(=O)c1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@H]43)[nH]c2c1 587276555 LVWYXTPVAYCYKH-PMAPCBKXSA-N 481.578 4.684 10 1 JJCF C[C@]1(c2cc(Br)cc(Cl)c2O)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962980516 UYVMLGFDNPQSIP-SJKOYZFVSA-N 467.093 4.602 10 1 JJCF COc1ccc(Cc2nnc(N=Nc3c(O)[nH]c4ccc(Br)cc34)nc2O)cc1 253928651 XRJVEQHIZVQEAX-UHFFFAOYSA-N 455.272 4.541 10 1 JJCF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2cc3c(cc21)C(=O)c1ccccc1C3=O 587406071 FBYDCCVCLCVZGT-WJOKGBTCSA-N 485.495 4.806 10 1 JJCF CCCCCCOc1ccc(-c2nn(-c3ccc(Cl)cc3)cc2C=C2C(=O)NC(=O)NC2=O)cc1 1857639097 GMCLRYGENAWMDF-UHFFFAOYSA-N 492.963 4.901 10 1 JJCF Oc1ccccc1[C@@H]1C=C(c2ccc3c(c2)OCO3)N[C@@H](c2cccc(Br)c2)N1 2934958 NGBWNIZBOWNBIS-WMZHIEFXSA-N 451.320 4.857 10 1 JJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2cc(Br)ccc2O)N1 587675601 AKTKVTYPOOTIFD-OVWNDWIMSA-N 487.163 4.699 10 1 JJCF CN(C)c1ccc(CNC(=O)[C@@]2(C)Cc3c(-c4cccc(C(F)(F)F)c4)ccnc3O2)cc1 61903828 DVZRLZZJWQTTMA-XMMPIXPASA-N 455.480 4.843 10 3 JJCF O=C1c2ccccc2C(=O)c2c1ccc1nc(CN3CCC(CCCC4CCNCC4)CC3)[nH]c21 95586841 ZFDFKCHZSOIMMB-UHFFFAOYSA-N 470.617 4.720 10 1 JJCF COc1cccc2c1Oc1cc(O)cc(O)c1[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587840051 HRLFUBJHYDKKDA-RULNZOCKSA-N 472.310 4.940 10 1 JJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(I)ccc2O)N1 587740923 YWXZIVVIBUHBEM-XLFHBGCDSA-N 476.127 4.696 10 1 JJCF COc1ccc2c(c1)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1c(O)cc(O)cc1O2 587837415 GTUDCGBIAGUSTO-BGJPBQGDSA-N 472.310 4.940 10 1 JJCF Cc1cc([C@@H]2N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c(C)n1-c1cc(F)cc(F)c1 962996724 QNIBJEMMQJIVGI-NQIIRXRSSA-N 452.835 4.992 10 1 JJCF CCN(CC)c1ccc2c(c1)Oc1ncnc(Nc3cnc(NC(=O)c4ccccc4)nc3)c1NC2 28564844 KWGJZOFZKMYQLL-UHFFFAOYSA-N 482.548 4.827 10 1 JJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCOCC3)cc2Cl)N1 587699892 YOPWCTRUAVNAFH-ZSEKCTLFSA-N 453.783 4.876 10 1 JJCF Cc1cccc(COc2cccc(/C=C3\C(=O)NN(C(=O)c4cccc5ccccc45)C3=O)c2)c1 40943082 LALFPNKCBMLSGG-YZSQISJMSA-N 462.505 4.824 10 1 JJCF CC[C@@H]1CCC2=c3c(nc(-c4ccc(-c5nc6cc(F)c([N+](=O)[O-])cc6[nH]5)cc4)[nH]c3=O)=S=C2C1 587037489 FOINDSLYRKQOBW-GFCCVEGCSA-N 489.532 4.558 10 1 JJCF CCc1nc(N)nc(N)c1-c1ccc(Cl)c(/N=N\N(CCOC(C)=O)Cc2ccccc2)c1 103557637 QKBISNUGIKKCIM-FLWNBWAVSA-N 467.961 4.588 10 1 JJCF in-vitro COc1cc2c3c(c1)O[C@]1(CC[C@H]4[C@@H]5CC[C@H]6C(=O)C(=O)CC[C@]6(C)[C@H]5CC[C@@]41C)[C@@H](C2)C3=O 587448022 XVVYXBGQDHYSKO-HIKRHZLZSA-N 462.586 4.972 10 1 JJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)C(=O)c2ccccc2)(c2ccccc2)N1 587814821 JBMWIHQLWMIZKJ-IZHWHUGBSA-N 452.323 4.818 10 1 JJCF C[C@]1(c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](C(=O)O)N3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587598482 XXTDSOGINVGLKC-MJTUBAJWSA-N 469.493 4.808 10 1 JJCF CCc1ccccc1OC[C@]1(c2ccc(O)cc2O)NCCc2cc3cccc(OC)c3nc21 963046508 JWXLOKGJVBDZDD-MUUNZHRXSA-N 456.542 4.685 10 1 JJCF Cc1c(CNC2CCC(NC(=N)N)CC2)cc(-c2ccc(Cl)cc2)n1-c1ccc([N+](=O)[O-])cc1 1857580150 FOCMWHZIIMORTA-UHFFFAOYSA-N 481.000 4.898 10 1 JJCF COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587811066 UVTACEQQMQJVJU-VDBVYFBLSA-N 498.348 4.687 10 1 JJCF O=S(=O)(Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)c2ccccc12)c1ccc(F)cc1 473154232 FMQJSWLAMMWGAY-UHFFFAOYSA-N 474.510 4.720 10 1 JJCF CS(=O)(=O)Nc1ccc(O)c(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c1 586948130 CSPNVCUZUUSHIG-UHFFFAOYSA-N 488.363 4.649 10 1 JJCF Clc1ccc(C/N=N\c2nc(NCc3ccc(Cl)cc3)nc(N3CCOCC3)n2)cc1 169723733 OSLVRCIIOLTFNN-GNVQSUKOSA-N 458.353 4.911 10 1 JJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)C(=O)c2ccccc2)(c2ccccc2)N1 587816662 ZPKUHBQOWIZOBN-MYYSRTQBSA-N 452.323 4.818 10 1 JJCF COc1cc([C@@H]2CC(c3cc4ccccc4o3)=NN2C(=O)Nc2ccc(O)c(O)c2)ccc1O 84711650 DWZUMOIWKBOAPW-SFHVURJKSA-N 459.458 4.941 10 1 JJCF CC(=O)N[C@H](Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)c1ccc(Br)cc1 586984837 JDBPMTSQIDGQSA-HXUWFJFHSA-N 488.341 4.521 10 1 JJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(I)c2O)N1 587740116 WOKDZNJLBNNTKT-AYVTZFPOSA-N 462.100 4.522 10 1 JJCF O=C(c1cccc2c(NC3CCN(Cc4ccccc4)CC3)c3ccccc3nc12)N1CCOCC1 28571070 MJOHBXRYOBCFRN-UHFFFAOYSA-N 480.612 4.937 10 1 JJCF O=C1NC(=S)S[C@H]1Cc1c(C(F)(F)F)nn(-c2ccccc2)c1SCc1ccco1 28822905 MPBPBXPKMGLWFV-AWEZNQCLSA-N 469.535 4.835 10 1 JJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCN(C)CC3)cc2Cl)N1 587693805 KFBIPDKXRSTBKA-YEJXKQKISA-N 452.799 4.617 10 1 JJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccc(O)c(O)c2)(c2ccc(O)cc2O)N1 587824325 ZQYXTIUAZDRZPR-KLUMLXBTSA-N 486.337 4.902 10 1 JJCF O=C1c2ccccc2C(=O)c2c(O)c([C@@H](O)C/C=C/c3ccccc3Br)cc(O)c21 653849071 JHLZIGUHUWGQDU-FZMUQLTDSA-N 465.299 4.773 10 1 JJCF CCOc1cccc([C@@H]2CC(c3ccc4c(c3)OCO4)=N[C@@H](c3ccc(C(=O)OC)cc3)N2)c1O 9542357 DROXSUMGECLHSP-HFZDXXHNSA-N 474.513 4.529 10 1 JJCF CN(C)c1ccc(COc2ccc3cc(/C=C4\SC(=S)N(CC(=O)O)C4=O)ccc3c2)cc1 98084942 SBRGDTDMHCRPGA-UUYOSTAYSA-N 478.595 4.771 10 1 JJCF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)c1ccccc1O[C@@H]2c1ccc(O)c(O)c1 587618263 SXCBPPBXTPRTSL-LBNPDIFZSA-N 482.444 4.520 10 1 JJCF O=S(=O)(Nc1cc(Sc2ncnc3nc[nH]c23)c(O)c2ccccc12)c1ccc(Cl)s1 103267386 XIZWFXYWHPTKSA-UHFFFAOYSA-N 489.991 4.879 10 1 JJCF COc1c(Br)cc(Nc2ccccc2C(=O)O)c2c1C(=O)c1ccccc1C2=O 95561795 LCEHKKOYNHIEMJ-UHFFFAOYSA-N 452.260 4.675 10 1 JJCF COc1cc(/C=C\c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)cc(O)c1O 587786380 SVMVKPUIBHMMDA-MBXJOHMKSA-N 471.922 4.607 10 1 JJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCc2ccc(O)cc2)(c2c(O)cc(O)cc2O)N1 587821690 JRFBBRFBLVQAEC-RZFZLAGVSA-N 488.353 4.821 10 1 JJCF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@@]1(C)CCN=[N+]=[N-] 962986101 IUQNFDOXSNDBCI-HSZRJFAPSA-N 456.930 4.931 10 1 JJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(I)cc2O)N1 587739068 SWKMTYKSSADVGT-VPTHRUTESA-N 462.100 4.522 10 1 JJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1c([N+](=O)[O-])ccc(O)c12 587750399 HZUOZIAYCAXMII-BGJPBQGDSA-N 483.293 4.573 10 1 JJCF Cc1ccc(C(=O)c2cc(Cl)ccc2NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cn1 113625099 CRAZDSRXAYLRJQ-UHFFFAOYSA-N 470.856 4.974 10 1 JJCF CO[C@]12C(=O)c3ccccc3C(=O)[C@@H]1C(c1ccc(OC(C)=O)c3ncccc13)=C2[Si](C)(C)C 205838764 IKFBIYTUJGKXMM-CUNXSJBXSA-N 471.585 4.885 10 1 JJCF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@@H](c3cc(OCc4ccccc4)ccc3O)N12 962666154 MHIJLOKCUJQLDJ-LSYYVWMOSA-N 454.526 4.707 10 1 JJCF O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O 1772645159 BJXQOVIEEYCDJT-UHFFFAOYSA-N 461.779 4.798 10 1 JJCF CSc1ccccc1[C@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)NCc1ccc(N)cc1 117850119 LHLXNADAGIEAJY-FCHUYYIVSA-N 454.640 4.568 10 1 JJCF CN(C)c1cccc2c(S(=O)(=O)NCc3nc4ccc(Oc5ccc(N)cc5)cc4[nH]3)cccc12 586941701 MTGAIIAVCXUJAV-UHFFFAOYSA-N 487.585 4.635 10 1 JJCF COc1ccccc1[C@H]1NC(c2ccc3c(c2)OCO3)=C[C@@H](c2cc(Br)ccc2O)N1 2934406 APDYXZYEOWYUSC-CYFREDJKSA-N 481.346 4.866 10 1 JJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1c([N+](=O)[O-])ccc(O)c12 587750838 JWEWLKXVWMITDT-QVQLBTGDSA-N 483.293 4.573 10 1 JJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(c3cc(O)c(O)c(O)c3)Oc3ccccc32)N1 587845165 ZDDAUHYSOIHVHF-MCFWBGNESA-N 484.321 4.916 10 1 JJCF CC1(C)C=Cc2c(cc3c(c2O)[C@]2(C=C(c4ccc(O)cc4)O3)NCCc3ccc(O)cc32)O1 963350705 CSNGTDXCTJEEMM-MUUNZHRXSA-N 455.510 4.810 10 1 JJCF C[C@]1(c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](C(=O)O)N3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587598480 XXTDSOGINVGLKC-LBBHUERKSA-N 469.493 4.808 10 1 JJCF CC(C)=CCC1(CC=C(C)C)C(=O)C(=O)[C@H](O)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587826305 ACLOLURNRJVFSQ-LIAVLPADSA-N 478.402 4.529 10 1 JJCF CCN(CC)c1ccc([C@]2(CCCC(=O)O)c3c(ccc(OC)c3OC)C[C@@H](C)N2C)cc1 962642464 VQKJQOZIINTHCB-XHCCPWGMSA-N 454.611 4.925 10 1 JJCF CCN(CC)c1ccc(C=CC(=O)NCCN2CCC(N(C)[C@@H]3CCCC[C@H]3C)CC2)cc1 1857621371 GBKLQKWGEDATFZ-YIXXDRMTSA-N 454.703 4.637 10 1 JJCF CCOc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1/N=N/c1c(O)cc(S(=O)(=O)O)c2ccccc12 169717102 HHVVPDDWMGQNJP-OCOZRVBESA-N 482.518 4.702 10 1 JJCF COc1ccccc1[C@@H]1NC(c2ccc3c(c2)OCO3)=C[C@H](c2cc(Br)ccc2O)N1 2934399 APDYXZYEOWYUSC-NTKDMRAZSA-N 481.346 4.866 10 1 JJCF O=C1CC(CSc2nnc(-c3ccncc3)o2)=NN1c1c2ccccc2nc2ccccc12 49111397 NBUUAKVPGDCJOL-UHFFFAOYSA-N 452.499 4.718 10 1 JJCF CCOc1ccc(-n2c(C)c3c(C)nnc(N4CCC5=C(C4)N[C@@H]4C=CC=C[C@@H]54)c3c2C)cc1 169353151 TWLXCPIOYOMVNR-LADGPHEKSA-N 453.590 4.923 10 1 JJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCN(C)CC3)c(Br)c2)N1 587675330 BJGFVGZFEJZWGU-ZSEKCTLFSA-N 497.250 4.726 10 1 JJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccc(O)c(O)c2)(c2ccc(O)cc2O)N1 587822608 PRLYZMNSKZLDES-KUIZFTLSSA-N 486.337 4.902 10 1 JJCF O=C1NC(=S)NC(=O)C1=Cc1cc(C2CC2)n(-c2ccc(Br)cc2)c1-c1ccccc1 169323972 GDWOVFFKRHZJKH-UHFFFAOYSA-N 492.398 4.699 10 1 JJCF CC(C)(C)[C@@]1(c2cc(Br)ccc2O)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962976748 OGAIHVOOITUQGO-VLIAUNLRSA-N 474.729 4.975 10 1 JJCF O=C1c2ccccc2C(=O)C1[C@@]1(c2ccccc2)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963190907 YEBUJUZQZGEJKB-CJAUYULYSA-N 499.872 4.897 10 1 JJCF O=C1/C(=C\c2ccccc2O)N=C(c2ccccc2)N1n1c(-c2ccccc2)nc2ccccc2c1=O 1635944 AXZKDFXRZWPJKB-NCELDCMTSA-N 484.515 4.735 10 1 JJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1c([N+](=O)[O-])ccc(O)c12 587750401 HZUOZIAYCAXMII-BSNNYGBQSA-N 483.293 4.573 10 1 JJCF CC(=O)N1CCN(c2ccc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2Cl)CC1 587691283 AIRFESHMFLQLEG-LFVRLGFBSA-N 494.836 4.708 10 1 JJCF COc1cccc(C2=C[C@@]3(NCCc4cc5cccc(OC)c5nc43)c3c(O)cccc3O2)c1 963054644 ITXJUULZFMMXMY-MUUNZHRXSA-N 452.510 4.780 10 1 JJCF CC(C)Nc1ccc(NC(C)C)c2c1C(=O)c1ccccc1[C@]21NCCc2nc3ccccn3c21 962988311 NEZJJYMZRNHXRK-LJAQVGFWSA-N 465.601 4.957 10 1 JJCF Cc1nc2cnccc2n1CC1CCN(C(=O)C[C@H](Nc2ccc(N)cc2)c2ccccc2)CC1 13863958 FZJJYTXTEUYVGC-VWLOTQADSA-N 468.605 4.804 10 1 JJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCOCC3)c(Br)c2)N1 587675811 CYPAUMMGSUVDLT-LRTDBIEQSA-N 498.234 4.985 10 1 JJCF CC(C)(C)OC(=O)N1[C@@H](C(=O)O)Cc2ncsc2[C@H]1c1cc(OCc2ccccc2)ccc1O 963148274 PMCLJBXFJPHJDB-TZIWHRDSSA-N 482.558 4.764 10 1 JJCF CC(=O)C[C@]1(c2cc(Br)ccc2O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587679672 NFNGQDIKEZZMMX-APBUJDDRSA-N 471.164 4.813 10 1 JJCF Nc1ccc(CCOc2cc(C(=O)NCC3CCN(c4ccncc4)CC3)ccc2Cl)cc1 13643355 CVUVHSMJDWAULJ-UHFFFAOYSA-N 464.997 4.585 10 1 JJCF CC(=O)Nc1cncc(C2=NN(C(=O)c3ccc(-c4ccccn4)s3)[C@H](c3ccccc3O)C2)c1 71340357 CBMCUHUKYJZZJE-QFIPXVFZSA-N 483.553 4.861 10 1 JJCF Cc1ccc([C@]2(c3cc(O)c(O)c([N+](=O)[O-])c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587573819 DFCVGJKGZJNCOX-WNCULLNHSA-N 485.448 4.925 10 1 JJCF O=C(O)c1cccc2c1CCN[C@]2(Cc1ccc(F)cc1)c1ccc(Br)cc1O 963129027 DIOTUFURBGRTER-QHCPKHFHSA-N 456.311 4.624 10 1 JJCF O=[N+]([O-])[C@H]1[C@@H](c2ccccc2Br)CCN(Cc2cccnc2)[C@@H]1c1ccc(O)c(O)c1 13521608 NMYPTUIZBNECAG-YSZBQJHXSA-N 484.350 4.631 10 1 JJCF Cc1cc(C(=O)N[C@@H](C)c2ccc(O[C@@H]3CCN(c4ccc(OCC5CC5)cc4)C3)cc2)n[nH]1 1772654761 QENTXFBYNKGIQY-UQBPGWFLSA-N 460.578 4.656 10 1 JJCF COCCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCCc3ccccc3F)ncnc21 82221775 QFTZQDOBUZWSEL-UHFFFAOYSA-N 460.557 4.534 10 1 JJCF COc1cccc2c1Oc1cc(O)cc(O)c1[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587839756 GOPNFGKOIZLQBB-BSNNYGBQSA-N 472.310 4.940 10 1 JJCF COc1ccc2nc3ccccc3c(N3N=C(CSc4nnc(-c5ccncc5)o4)CC3=O)c2c1 49068085 GMKFYOOGQPLOKC-UHFFFAOYSA-N 482.525 4.727 10 1 JJCF NC(=O)N1CCc2sccc2[C@@]1(c1cnn(-c2ccccc2)c1)c1cc(Br)ccc1O 962720719 XTHRMQMNTUJHDF-QHCPKHFHSA-N 495.402 4.631 10 1 JJCF COc1cc2c(c(O)c1OC)C(=O)c1c(CC=C(C)C)c(O)c(CC=C(C)C)c(O)c1C2=O 2356689847 BAYLRXAIAASYJA-UHFFFAOYSA-N 452.503 4.613 10 1 JJCF O=C(Cn1c(/C=C2\C(=O)N(c3cccc(F)c3)C(=O)N=C2O)cc2ccccc21)Nc1ccccc1 45339509 HANOXHIUEHZYHQ-JCMHNJIXSA-N 482.471 4.926 10 1 JJCF COc1ccc2c(c1OC)[C@H](c1c(F)ccc(F)c1O)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963775580 KQBUYXYXDXLRPG-HSZRJFAPSA-N 492.478 4.526 10 1 JJCF CN1CCN(C(=O)c2cccc3c(NC4CCN(Cc5ccccc5)CC4)c4ccccc4nc23)CC1 28572110 DEBBESMZTBVTSU-UHFFFAOYSA-N 493.655 4.852 10 1 JJCF O=C1c2ccccc2C(=O)c2c1ccc1nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c21 586998658 NJRAIGSMOOKGQJ-YVMONPNESA-N 473.282 5.000 10 1 JJCF C[C@@]1(c2cc(Br)cc(Cl)c2O)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962980511 UYVMLGFDNPQSIP-PXAZEXFGSA-N 467.093 4.602 10 1 JJCF CC[C@H](C)c1cc(C)c2c(c1O)[C@H](NC(=O)CN1CCN(c3cccc(Cl)c3)CC1)CC2 26171215 OGNLUKZPJQSXAY-GAJHUEQPSA-N 456.030 4.793 10 1 JJCF O=C1c2ccccc2C(=O)c2c(O)c([C@H](O)C/C=C/c3ccccc3Br)cc(O)c21 653849072 JHLZIGUHUWGQDU-SUQGKYDKSA-N 465.299 4.773 10 1 JJCF CC(C)(C)OC(=O)N1CCN(c2ccc([C@@H]3c4ccc(F)cc4C[C@H]4CCCN43)cc2)CC1 963107672 SMAGXNKFHQWWRK-ILBGXUMGSA-N 451.586 4.993 10 1 JJCF CCc1ccccc1OC[C@@]1(c2ccc(O)cc2O)NCCc2cc3cccc(OC)c3nc21 963046509 JWXLOKGJVBDZDD-NDEPHWFRSA-N 456.542 4.685 10 1 JJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCOCC3)cc2Cl)N1 587691342 BDHMAYAYDGXWOL-LRTDBIEQSA-N 453.783 4.876 10 1 JJCF O=C(O)CN1C(=O)/C(=C/c2ccc3cc(OCc4cccc(F)c4)ccc3c2)SC1=S 98083207 JHXMVOKGMBYOCS-JMIUGGIZSA-N 453.516 4.844 10 1 JJCF CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)c4cccc(NC(C)=O)c4)cc3)C2)cc1 142343495 RYIMMBLFBCPZGC-IBGZPJMESA-N 473.573 4.802 10 1 JJCF CC(C)N(CCNc1ccc(NCCN(C(C)C)C(C)C)c2c1C(=O)c1ccncc1C2=O)C(C)C 27897402 UJKGGJILFARNKE-UHFFFAOYSA-N 493.696 4.918 10 1 JJCF CN1CCN(C(=O)c2ccc3c(NC4CCN(Cc5ccccc5)CC4)c4ccccc4nc3c2)CC1 28569650 OKHVQTVUXLMYTQ-UHFFFAOYSA-N 493.655 4.852 10 1 JJCF CN1CCc2c(Br)cccc2[C@@]1(C)c1c(O)cccc1I 963278994 DKAYXQPVZPONDV-KRWDZBQOSA-N 458.137 4.511 10 1 JJCF COc1cc(F)c(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cccs2)cc1 95598527 BKGNOSWIYUTCNN-IYBDPMFKSA-N 475.611 4.550 10 1 JJCF CCCSCC(=O)N1N=C(C)C[C@@H]1c1cc(Br)cc(Br)c1O 103267759 XNXYKEBSHVJABV-CYBMUJFWSA-N 450.196 4.710 10 1 JJCF CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\Cc1ccc(Cc2cc(C)c(C)cc2[N+](=O)[O-])o1 299855082 AYQYIBVVCJFCAE-KSEXSDGBSA-N 473.485 4.985 10 1 JJCF O=C1N=C(Nc2ccc(Oc3ccccc3)cc2)S/C1=C/c1ccc(N2CCNCC2)cc1 299871915 ZLLLDDZEJLFDCQ-HKOYGPOVSA-N 456.571 4.971 10 1 JJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCN(C)CC3)c(Br)c2)N1 587675327 BJGFVGZFEJZWGU-ASSNKEHSSA-N 497.250 4.726 10 1 JJCF CCOc1ccc(Nc2ccc3nonc3c2S(=O)(=O)Nc2ccc(OCC)cc2)cc1 45189426 FKYJGNNMVOHTBA-UHFFFAOYSA-N 454.508 4.565 10 1 JJCF CCCCO[C@H]1C[C@@H](C(=O)NCc2ccc(N)cc2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 82207285 DTPBCRVHNAZDIY-VUQGUURGSA-N 463.622 4.508 10 1 JJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(I)cc2O)N1 587736580 BAPZHJVFAGJGBH-PWJLMRLQSA-N 462.100 4.522 10 1 JJCF Cc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c(C)n1-c1cccc(-c2nnn[nH]2)c1 73165295 WUZOYTWXMNJGOL-BKUYFWCQSA-N 472.599 4.676 10 1 JJCF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@@H]1c1cc(OCc2ccccc2)ccc1O 963148269 PMCLJBXFJPHJDB-FPOVZHCZSA-N 482.558 4.764 10 1 JJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(c3cc(O)c(O)c(O)c3)Oc3ccccc32)N1 587843572 SPTHZOYTYRKBNI-FNODVLLQSA-N 484.321 4.916 10 1 JJCF Cn1ccnc1-c1ccc(O)c(Cn2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)oc2=O)c1 28603963 XAEFRVVUHDAALT-UHFFFAOYSA-N 484.356 4.695 10 1 JJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCOCC3)cc2Cl)N1 587699889 YOPWCTRUAVNAFH-ASSNKEHSSA-N 453.783 4.876 10 1 JJCF Cc1cc(C(=O)c2cc(Cl)ccc2NS(=O)(=O)c2ccc(-c3cnco3)cc2)ccn1 38514377 HVZHPEYTMAOZRT-UHFFFAOYSA-N 453.907 4.730 10 1 JJCF Nc1ncc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c(-c2ccccc2Cl)n1 587060398 DWLXCSQAZIXPTQ-UHFFFAOYSA-N 451.873 4.698 10 1 JJCF O=C(O)[C@@H]1Cc2cc(OC(F)(F)F)ccc2[C@@H](c2cc3ccccc3c(Br)c2O)N1 962624674 FDLPJCZXDZTAFA-WMZOPIPTSA-N 482.252 4.895 10 1 JJCF COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccc(C)s2)cc1F 34637897 SBEBXIWVGHBOSL-IYBDPMFKSA-N 489.638 4.859 10 1 JJCF CN1C[C@@H](c2ccc(C(F)(F)F)cc2)[C@]2(Cc3ccccc3C2=O)C12C(=O)c1ccccc1C2=O 84669688 TZTYTUGQWBZLIA-NVQXNPDNSA-N 475.466 4.978 10 1 JJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2)(c2c(O)cc(O)cc2O)N1 587821861 KGGZTQBXOHWDJE-ZLOXQWCVSA-N 458.327 4.726 10 1 JJCF CCOc1ccc([C@@]2(c3ccccc3)N[C@@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)c(O)c1 962702631 RWQSNTGMNZKXMF-ZJSXRUAMSA-N 475.438 4.840 10 1 JJCF CC1=NN(c2cccc(C(=O)O)c2)C(=O)/C1=C\c1ccc(-c2ccc(C(=O)NCC3CC3)cc2)o1 1772654920 KGBIVKAZJJGKMZ-UCQKPKSFSA-N 469.497 4.591 10 1 JJCF Cc1cc(C)c2c(c1O)[C@H](NC(=O)CN1CCN(c3ccc(Cl)c(Cl)c3)CC1)C(C)(C)C2 26160610 FZDZMKLACAFRFJ-DEOSSOPVSA-N 476.448 4.878 10 1 JJCF COC(=O)c1c2c(nc3ccccc13)-c1cc(OC)c(OC)c(OCc3ccccc3)c1C2=O 95587577 YTZXWHUBUFSCNW-UHFFFAOYSA-N 455.466 4.829 10 1 JJCF CN1c2ccc(OC(=O)NCCCCCCN3CCCC3)cc2CN2CCc3ccccc3[C@H]21 1857615680 ZJLQVNQXVJLIGI-MHZLTWQESA-N 462.638 4.938 10 1 JJCF COc1cc2c(c(O)c1OCC=C(C)CCC=C(C)CC[C@H](O)C(C)(C)Cl)CNC2=O 2356628183 JKLCERLINKCBEF-FQEVSTJZSA-N 451.991 4.854 10 1 JJCF CCCCO[C@@H]1C[C@@H](C(=O)NCc2ccc(N)cc2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 82207282 DTPBCRVHNAZDIY-NZOFPZOHSA-N 463.622 4.508 10 1 JJCF CC1=NN(c2ccc(C)c(C)c2)C(=O)[C@@H]1/N=N/c1cccc(-c2cccc(-n3cnnn3)c2)c1O 103590814 WUGKGSDLYPHDHP-SNSKHAEWSA-N 466.505 4.527 10 1 JJCF investigational Cc1c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc2n1C[C@H](O)CN1CCCC1 587512341 CPPKUTNOHYSYDG-JIPXPUAJSA-N 458.602 4.992 10 1 JJCF CN(C)c1ccc([C@@H]2CC(c3ccccc3)=NN2C2=NC(=O)/C(=C3/C(=O)Nc4ccccc43)S2)cc1 215725461 XFQIZGJQGGVATP-KGEYNJJLSA-N 493.592 4.897 10 1 JJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2cc(Br)ccc2O)N1 587675599 AKTKVTYPOOTIFD-DGIBIBHMSA-N 487.163 4.699 10 1 JJCF Cc1c(O)c(C)c2c(c1O)[C@]1(C[C@@H](c3ccc(O)cc3)O2)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962764283 LDXHWXPLKOPBEB-BVFVYWQFSA-N 499.485 4.833 10 1 JJCF Cc1cc(C)c2c(c1O)[C@@H](NC(=O)CN1CCN(c3cccc(C(F)(F)F)c3)CC1)C(C)(C)C2 26147729 KSKWYEHABWOAAB-XMMPIXPASA-N 475.555 4.590 10 1 JJCF O=C(NCc1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1)c1cccc(C(F)(F)F)c1 28764443 SLROSZJVWNFYCV-UHFFFAOYSA-N 461.528 4.533 10 1 JJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCOCC3)c(Br)c2)N1 587675441 BLKLXBZIEFBOJL-YEJXKQKISA-N 498.234 4.985 10 1 JJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCC4(CC3)OCCO4)cc2)N1 587766419 NHMBSWZVNQMGQE-QRQCRPRQSA-N 461.375 4.555 10 1 JJCF Nc1ncc(-c2ccc(C(=O)N3CCC[C@@H]3CN3CCCC3)cc2)cc1OCc1ccccc1F 72180074 DOINMYWEKZAPKB-XMMPIXPASA-N 474.580 4.749 10 1 JJCF Nc1ccc(Oc2ccc3nc(-c4sccc4S(=O)(=O)NCc4ccco4)[nH]c3c2)cc1 586945708 LJRLMDQPEKSFGI-UHFFFAOYSA-N 466.544 4.737 10 1 JJCF CCOC(=O)c1c(CSc2cccc(O)c2)n(C)c2cc(Br)c(O)c(CN(C)C)c12 1772626891 RWUPKPXIEDMTQB-UHFFFAOYSA-N 493.423 4.883 10 1 JJCF Cc1ncncc1C(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OCC4CC4)cc3)C2)cc1 1772640226 DXLZGXIXNNOJTH-AFMDSPMNSA-N 472.589 4.723 10 1 JJCF CCOC(=O)CCC[C@@]1(c2ccc(N(CC)CC)cc2)NC[C@H]2CC(=O)N(C)c3cccc1c32 963023948 JFDVGJHBWIQIJQ-NGOKVRLYSA-N 463.622 4.563 10 1 JJCF COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cc(C)cs2)s1 35985373 CBHLJOHGEIUFNY-IYBDPMFKSA-N 477.677 4.781 10 1 JJCF CN(C)c1ccc([C@H]2CC(c3ccccc3)=NN2C2=NC(=O)/C(=C3\C(=O)Nc4ccccc43)S2)cc1 95556873 XFQIZGJQGGVATP-QTSZRPRMSA-N 493.592 4.897 10 1 JJCF Cc1c(O)nc(N(C)Cc2ccc(N3CCOCC3)cc2)nc1Cc1c(Cl)cccc1Cl 653739186 UBCUBPKNCZZRLM-UHFFFAOYSA-N 473.404 4.861 10 1 JJCF O=C1c2c(cc(O)c(O)c2O)C=CC[C@]12NCCc1c2[nH]c2ccc(OCc3ccccc3)cc12 963816741 HKKSMGKCQXLRLE-MUUNZHRXSA-N 468.509 4.505 10 1 JJCF COc1ccc(/C=C2\C(=O)N(c3cccc(Br)c3)N=C2C(F)(F)F)cc1OC 64528453 IPTUIDCRPMGNLC-ZSOIEALJSA-N 455.230 4.815 10 1 JJCF Cc1ccc(-n2c(COc3ccc(/C=C4/SC(=S)NC4=O)cc3)nc3ccccc3c2=O)cc1 1772604989 QQCBNGPJHZIFBM-HYARGMPZSA-N 485.590 4.762 10 1 JJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccc(O)c(O)c2)(c2ccc(O)cc2O)N1 587824326 ZQYXTIUAZDRZPR-ZJQBCQQHSA-N 486.337 4.902 10 1 JJCF COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccc(C)o2)cc1Cl 95598539 IVITYWXJLJXMDX-IYBDPMFKSA-N 490.025 4.904 10 1 JJCF COc1cc(CCNCCCOc2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 1857540117 SWUGYIHIFOSBHW-UHFFFAOYSA-N 451.563 4.719 10 1 JJCF CCOc1ccc(-c2nn(C(=O)CCc3ccc(O)c(O)c3)c(=O)c3ccccc23)cc1OCC 587668785 DIZHIZGBFIWQAD-UHFFFAOYSA-N 474.513 4.545 10 1 JJCF COc1ccc(C[C@@]2(c3c(O)cc(O)cc3O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587811132 VJGDHUPCUDZNPG-YEBMWUKDSA-N 488.353 4.734 10 1 JJCF COc1cc([C@H]2CC(c3ccc(O)cc3)=NN2C(=O)c2ccc(Cl)cc2)ccc1OCC(=O)O 103182867 SFTZKWVRESBXSJ-OAQYLSRUSA-N 480.904 4.509 10 1 JJCF Cc1c(-c2cncc(F)c2)nc2ncccc2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21 118093601 OFVRREZLTGDWSS-UHFFFAOYSA-N 470.552 4.800 10 1 JJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCN(C)CC3)cc2Cl)N1 587695630 OHILCURCKYJPFK-ZSEKCTLFSA-N 452.799 4.617 10 1 JJCF COc1cc(/C=C/c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)cc(O)c1O 587784979 GNHJABHMVZUTFT-RMKNXTFCSA-N 471.922 4.607 10 1 JJCF O=C1c2ccccc2C(=O)c2c1ccc1[nH]c(-c3cccc(=O)n3CCOc3ccccc3Cl)nc21 587063897 CJHQLDFMPJCFHC-UHFFFAOYSA-N 495.922 4.899 10 1 JJCF CN(C)c1ccc(CN[C@@H]2CC(C)(C)[C@@H]3C[C@](C)(O)CC[C@]32CCC(=O)N2CCCC2)cc1 2356822311 FUCZKIGKHASRRR-XSRCTALUSA-N 455.687 4.581 10 1 JJCF COC(=O)c1ccccc1-n1c(C)cc([C@H]2N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c1C 962965578 LIHXGDYMTFMQOS-XMSQKQJNSA-N 474.891 4.501 10 1 JJCF CC(C)=CC[C@@H]1C(=O)c2ccccc2C(=O)[C@]12c1ccccc1C[C@]1(C3CCC3)C(=O)NC(=O)N12 962660032 FYKLEJGPXAWXLC-MGONOCMRSA-N 468.553 4.580 10 1 JJCF Cc1cc(C)c2c(c1O)[C@@H](NC(=O)CN1CCN(c3cc(Cl)ccc3Cl)CC1)C(C)(C)C2 26159115 CEBJRALEHNRCPE-XMMPIXPASA-N 476.448 4.878 10 1 JJCF O[C@@H](COc1ccc2c(c1)CCCN2Cc1ccccc1)CN1CCN(c2cccc(Cl)c2)CC1 40847921 CJPNLBGKNVFQAL-HHHXNRCGSA-N 492.063 4.855 10 1 JJCF COc1ccc2c(c1)[C@@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)c1c(O)cc(O)cc1O2 587837416 GTUDCGBIAGUSTO-BSNNYGBQSA-N 472.310 4.940 10 1 JJCF O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2cccc([N+](=O)[O-])c2O)N1C(=O)c1ccc(Cl)cc1 963016785 MPTVGQBVIXDTLH-IRLDBZIGSA-N 491.887 4.676 10 1 JJCF Cc1nc2cnccc2n1CC1CCN(C(=O)C[C@@H](Nc2ccc(N)cc2)c2ccccc2)CC1 13863957 FZJJYTXTEUYVGC-RUZDIDTESA-N 468.605 4.804 10 1 JJCF CC(C)C[C@@H](N1C(=O)/C(=C/c2ccc(N(C)C)c3ccccc23)SC1=S)P(=O)(O)O 1772582915 MZIRQTRYBCGDTO-OVCORXIESA-N 464.549 4.657 10 1 JJCF CN1CC[C@H](N(C)C(=O)c2ccncc2Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)C1 1857615038 KPBHAJBXPUDHEZ-QFIPXVFZSA-N 491.599 4.703 10 1 JJCF CC1=C[C@@H]2C[C@H](C)CC[C@@H]2[C@](C)(C(O)=C2C(=O)N(C)C(CO)=C2O)[C@H]1C=CC=CC[C@@H](C)O 2356351597 AWQOATNHYGPPIM-SMITVKQWSA-N 457.611 4.551 10 1 JJCF CCCCO[C@@H]1C[C@@H](C(=O)NCc2ccc(N)cc2)N(C(=O)c2cccc(Oc3ccccc3)c2)C1 4202162 RHHYMWXQFKSHNY-SXOMAYOGSA-N 487.600 4.777 10 1 JJCF Cc1nn(-c2ccccc2)c(Oc2ccc(Cl)cc2)c1/C=C1\SC(=S)N(CC(=O)O)C1=O 95585212 DQCJVPVLQGJBSQ-WQRHYEAKSA-N 485.974 4.912 10 1 JJCF O=C1c2ccc(O)cc2O[C@]2(C(=O)[C@@H](c3ccc(O)c(O)c3)Oc3ccccc32)[C@H]1c1ccc(F)cc1 587353326 MZCCKJLBJGFTGA-BUAQGSAMSA-N 498.462 4.900 10 1 JJCF CCOC(=O)CCc1ccc(-c2ccc(Br)cc2)n1-c1cc(O)cc(C(=O)O)c1 587926296 MOAUBMLGCAJDSF-UHFFFAOYSA-N 458.308 4.806 10 1 JJCF COc1ccc(Cl)c2c1CCN[C@]21C=C(c2ccccc2)Oc2c(OC)c(OC)cc(O)c21 963257602 LJNKPMCWDDTWJM-AREMUKBSSA-N 465.933 4.894 10 1 JJCF COc1cc([C@H](CCc2ccccc2)CC(=O)C[C@@H](O)CCc2ccc(O)c(O)c2)ccc1O 2356773578 CSCYONCTWIDJTI-GGAORHGYSA-N 464.558 4.871 10 1 JJCF COc1ccccc1[C@H]1NC(c2ccc3c(c2)OCO3)=C[C@H](c2cc(Br)ccc2O)N1 2934401 APDYXZYEOWYUSC-DVECYGJZSA-N 481.346 4.866 10 1 JJCF COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1cccc(-c2cc(C)cs2)c1 95598613 WTWORMZCNKQCHR-HDICACEKSA-N 471.648 4.720 10 1 JJCF CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccccc3)C[C@H]2C(=O)NCc2ccc(N)cc2)cc1 104492953 PCCSYAMOLWOOGY-LLPVKFARSA-N 497.639 4.908 10 1 JJCF COc1cc(O)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br 587677254 JYYAIYHPZFDHRP-LZVRBXCZSA-N 459.153 4.863 10 1 JJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2cc(Br)ccc2O)N1 587679831 OFMKQKZUHQPQPG-OVWNDWIMSA-N 487.163 4.699 10 1 JJCF COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4cc5c(cc41)C(=O)c1ccccc1C5=O)[C@@H](C2)C3=O 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SWRBFZYAPVLOGW-NRFANRHFSA-N 454.792 4.975 10 1 JJCF COc1ccc(CN2CCN(CCO[C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c(O)c1 45302680 SQXFUONBSABMAQ-MHZLTWQESA-N 467.009 4.978 10 1 JJCF Cc1c(N2C(=O)/C(=C/c3ccc(Cl)cc3)N=C2c2ccccc2)c(=O)n(-c2ccccc2)n1C 6041457 YLMIJMQLANERLO-QJOMJCCJSA-N 468.944 4.972 10 1 JJCF COc1c(O)c(O)cc2c1C=C[C@@H]1[C@H](O)C[C@H](CCc3ccc(O)c(CCC(C)C)c3)O[C@@H]21 2356582172 CJZULQRGPKBCAY-UCOZKWQYSA-N 454.563 4.867 10 1 JJCF COc1cc2c(c(Cl)c1Cl)C(=O)[C@](CCN(C)C(C)(C)C(=O)O)(c1ccc(F)cc1)C2=O 28572033 QLULNNAKXVRCQU-HSZRJFAPSA-N 482.335 4.643 10 1 JJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCOCC3)cc2Cl)N1 587699890 YOPWCTRUAVNAFH-LRTDBIEQSA-N 453.783 4.876 10 1 JJCF COc1ccc(C[C@]2(c3c(O)cc(O)cc3O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587809878 RJOSLSWFEBMZHR-OZAJXLCCSA-N 488.353 4.734 10 1 JJCF Cc1cc(O)c2c(c1)C(=O)c1cccc(O)c1[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587835121 VCFBPPNVBWULPK-MCFWBGNESA-N 468.322 4.678 10 1 JJCF COc1ccc(Cl)c2c1CCN[C@@]21C=C(c2ccccc2)Oc2c(OC)c(OC)cc(O)c21 963257603 LJNKPMCWDDTWJM-SANMLTNESA-N 465.933 4.894 10 1 JJCF Cc1ccc(NC(=O)Cn2c(O)c(/N=N\C(=O)c3cc([N+](=O)[O-])ccc3O)c3ccccc32)cc1 102763970 SNYQCOQSBMEOFD-RQZHXJHFSA-N 473.445 4.832 10 1 JJCF COC1=C(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587531133 INLGATWAROBXPY-NDEPHWFRSA-N 488.492 4.656 10 1 JJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCN(C)CC3)c(Br)c2)N1 587675329 BJGFVGZFEJZWGU-YEJXKQKISA-N 497.250 4.726 10 1 JJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)cc([N+](=O)[O-])c2O)N1 587684159 YJBBVGLRNLHGND-MLXNANBUSA-N 460.097 4.588 10 1 JJCF [N-]=[N+]=NC[C@H](CCOC(c1ccccc1)(c1ccccc1)c1ccccc1)Cn1ccc(=O)[nH]c1=O 40565793 MTKFXHJJLUQLGB-QFIPXVFZSA-N 481.556 4.862 10 1 JJCF Cc1ncccc1C(=O)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 113627620 OTJKMDACHXOYMG-UHFFFAOYSA-N 470.856 4.974 10 1 JJCF CCN(CC)S(=O)(=O)c1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@H]43)[nH]c2c1 587276087 IXMIIFDVSQABBK-YZZKKUAISA-N 481.578 4.637 10 1 JJCF CC1(C)CCC[C@@]2(CO)[C@H]3CC[C@@H]4C[C@@]3(CC[C@H]12)C[C@]4(O)COC(=O)C=Cc1ccc(O)c(O)c1 2356842998 NAPRTQGTRSLKIA-BQZXLZALSA-N 484.633 4.791 10 1 JJCF CSc1ccc2c(cc1=O)[C@@H](NC(=O)C13CC4CC(CC(C4)C1)C3)CCc1cc(O)c(O)c(O)c1-2 13779620 PEKIAJGFWDEKHT-XVWUWYCTSA-N 493.625 4.872 10 1 JJCF COc1cccc2c1ccc1nc3cccc(C(=O)N[C@H](Cc4ccccc4)CN(C)C)c3nc12 27848872 XWLCBKRGWKZJHT-HXUWFJFHSA-N 464.569 4.848 10 1 JJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)C(=O)c2ccccc2)(c2ccccc2)N1 587814828 JBMWIHQLWMIZKJ-OYLFLEFRSA-N 452.323 4.818 10 1 JJCF Cc1cc(OCC(=O)NCCc2ccc(O)c(O)c2)cc(C)c1Cc1ccc(O)c(C(C)C)c1 1857550578 XULORFUJXJLPCI-UHFFFAOYSA-N 463.574 4.872 10 1 JJCF CCNc1ccc(NCC)c2c1C(=O)c1ccccc1[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587432920 NOFWSPYOQKZVIE-GDJIYFAZSA-N 454.526 4.794 10 1 JJCF CN1CCc2c(Br)cccc2[C@]1(C)c1c(O)cccc1I 963278995 DKAYXQPVZPONDV-QGZVFWFLSA-N 458.137 4.511 10 1 JJCF CCN(CC)CCNc1cc2nc3n(c(=O)c2cc1F)CC/C3=C\c1ccc(N(CC)CC)cc1O 1911578957 CEKQGUFKTNPVPN-HMMYKYKNSA-N 493.627 4.785 10 1 JJCF COC(=O)c1cccc(-c2cccc([C@H]3N[C@@H](C(=O)C(F)(F)F)Cc4ccccc43)c2O)c1 962704540 CVAPLNWEXYFTJQ-RTWAWAEBSA-N 455.432 4.581 10 1 JJCF CC[N+](C)(C)c1ccc(CNC(=O)c2cc3cc(F)ccc3n2Cc2cccc(C(=N)N)c2)cc1 13474314 JYNWGVLVJLZPQG-UHFFFAOYSA-O 472.588 4.630 10 1 JJCF CC1=NN(c2ccc(Br)cc2Br)C(=O)/C1=C(/C)NCc1ccccc1 100096095 KHINPNSXFQWPCD-PDGQHHTCSA-N 463.173 4.998 10 1 JJCF in-vitro O=C1c2ccccc2C(=O)c2c1ccc1nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c21 587044070 YNCGQNHTCXCUKD-GOSISDBHSA-N 459.914 4.647 10 1 JJCF Oc1ccccc1[C@@H]1C=C(c2ccc3c(c2)OCO3)N[C@H](c2ccc(F)c(Br)c2)N1 2936927 KVUIWDVVORHZSS-CVDCTZTESA-N 469.310 4.996 10 1 JJCF O=C(O)CN1C(=O)/C(=C/c2ccc(OCc3ccccc3)c(OCc3cccnc3)c2)SC1=S 28352034 HQACTTWMKFLCSS-UUYOSTAYSA-N 492.578 4.525 10 1 JJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3[nH]c(O)nc(NCc4ccccc4)c-3n1)[C@@H]1CC=C[C@@H]21 587277598 ZFFBBVDAXVTGQJ-HLIPFELVSA-N 469.505 4.665 10 1 JJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(c3ccccc3)Oc3cc(O)c(O)c(O)c32)N1 587837419 GUDUCCPYJAOOQK-FNODVLLQSA-N 484.321 4.916 10 1 JJCF COc1ccc2c(c1OC)[C@@](c1ccccc1)(c1ccc(N3CCOCC3)cc1)N(C)[C@@H](C)C2 962625159 LQCDUQXRUFLPCM-KCWXNJEJSA-N 458.602 4.709 10 1 JJCF CC[C@@H](C)C(=O)c1ccc(OCC(=O)N2CCN(c3ccc(OC)cc3)CC2)c(Cl)c1Cl 1772612498 JDSFGSVCLGZTFZ-MRXNPFEDSA-N 479.404 4.958 10 1 JJCF COc1ccc(C2(c3ccc(OC)cc3O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587810636 UAMJFGMDDRKWEO-ZDUSSCGKSA-N 488.353 4.843 10 1 JJCF COc1ccc([C@@H]2CC(=O)c3c(cc(O)c(CNCCc4ccc(Cl)cc4)c3O)O2)cc1O 653792857 DHCCRAVYUHLHEW-QFIPXVFZSA-N 469.921 4.504 10 1 JJCF COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2[n+](C)c2cc(Br)ccc12 26940856 RDDVEFSGUGEHMU-UHFFFAOYSA-O 487.399 4.704 10 1 JJCF CC[C@@]1(c2cc(Br)cc(Br)c2O)NCCc2c1c(C(C)C)nn2C 962921494 UDXIXKBAEXVXMF-SFHVURJKSA-N 457.210 4.573 10 1 JJCF COc1cc2c(c(O)c1OCC=C(C)CCC=C(C)CC[C@@H](O)C(C)(C)Cl)CNC2=O 2356628184 JKLCERLINKCBEF-HXUWFJFHSA-N 451.991 4.854 10 1 JJCF O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc2c(S(=O)(=O)Nc3ccccc3)cccc12 34074711 AGRYROVEUZEKND-FYWRMAATSA-N 460.511 4.704 10 1 JJCF C[C@H]1C(=O)[C@H](C)[C@@H](c2cc(Br)ccc2O)N[C@@H]1c1cc(Br)ccc1O 169356306 OABITYYYJTZDBK-MKXFUORMSA-N 469.173 4.850 10 1 JJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(c3ccccc3)Oc3cc(O)c(O)c(O)c32)N1 587840542 YXNXZBCVTQMYME-OIRASMEMSA-N 484.321 4.916 10 1 JJCF Cc1cc2c(cc1O)[C@@]1(C[C@@H](C)Cc3c1cc(C)n3-c1ccc(Cl)c([N+](=O)[O-])c1)N[C@H](C(=O)O)C2 963529140 VKOKYPXCQQQFLI-WZQCWJJFSA-N 495.963 4.786 10 1 JJCF CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4ccccc4C(=O)c4ccccc4)ccc1c23 169308095 ISFQOKXXKVBMFZ-UHFFFAOYSA-N 456.523 4.852 10 1 JJCF O=C1NC(=S)S/C1=C/c1ccc(OCc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)cc1 1772607341 CQJDYJDESDZFKR-FYJGNVAPSA-N 489.553 4.593 10 1 JJCF COc1cc(/C=C/c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)cc(O)c1O 587786381 SVMVKPUIBHMMDA-XNWCZRBMSA-N 471.922 4.607 10 1 JJCF COc1cccc(CNc2ccc(S(=O)(=O)Nc3nc4ccc(F)cc4s3)cc2)c1O 103266572 DCPQZFQYOJQYFZ-UHFFFAOYSA-N 459.524 4.563 10 1 JJCF CC(C)=CC[C@@H]1C(=O)c2ccccc2C(=O)[C@@]12c1ccccc1C[C@]1(C3CCC3)C(=O)NC(=O)N12 962660027 FYKLEJGPXAWXLC-LDVROUIZSA-N 468.553 4.580 10 1 JJCF Oc1ccc2ccccc2c1[C@@H](c1ccc(OCCN2CCCCC2)cc1)N1CCC(O)CC1 72181125 IVQJOBZSERFYIP-GDLZYMKVSA-N 460.618 4.956 10 1 JJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCC(C(=O)O)CC3)cc2)N1 587767008 IBFVIIAWTRQZJS-LFVRLGFBSA-N 461.375 4.687 10 1 JJCF O=C1c2ccccc2C(=O)c2cc(Cn3cc(COc4c(Cl)cccc4Cl)nn3)ccc21 1772600333 ZHQCQBCYVZXYIN-UHFFFAOYSA-N 464.308 4.988 10 1 JJCF O=C(c1ccncc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(-c2cccnc2F)cc1 113624675 QCQXCACBQWRAHI-UHFFFAOYSA-N 467.909 4.968 10 1 JJCF COc1ccccc1-n1c(O)c2c(c1O)C1(O[C@@H]2c2ccccc2C)C(=O)c2ccccc2C1=O 169717943 WKIPIHOSPIAZQO-HSZRJFAPSA-N 467.477 4.600 10 1 JJCF COc1ccc(N2C[C@H]3CC[C@H]2C[C@@]32N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)cc1 962920290 MHZUPEYDLDRKOZ-CGFANQMGSA-N 486.568 4.676 10 1 JJCF C[C@@H](Oc1cc(-c2ccn(CCN(C)C)c(=O)c2)cnc1N)c1c(Cl)ccc(F)c1Cl 1857603328 NFAGZVGAXFNBPX-CYBMUJFWSA-N 465.356 4.640 10 1 JJCF CC[C@H](C)c1cc(C)c2c(c1O)[C@@H](NC(=O)CN1CCN(c3cccc(Cl)c3)CC1)CC2 26171224 OGNLUKZPJQSXAY-SBUREZEXSA-N 456.030 4.793 10 1 JJCF CC1(C)O[C@@H]2c3ccccc3C(=O)C(=O)[C@H]2[C@@H]1Nc1ccc(Br)cc1Br 58480538 WSVMBURZMWMWQM-LZQZEXGQSA-N 479.168 4.924 10 1 JJCF COc1ccc2c(C)c(CCc3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)c(=O)oc2c1C 586918131 IZJIWFVRVKWOLU-UHFFFAOYSA-N 478.504 4.855 10 1 JJCF Cc1cc(O)c2c(c1)C(=O)c1cccc(O)c1[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587835123 VCFBPPNVBWULPK-YYUOZPCZSA-N 468.322 4.678 10 1 JJCF Oc1ccc(Br)cc1[C@H]1C=C(c2ccc3c(c2)OCO3)N[C@@H](c2cccc(F)c2)N1 2935188 OVQWOZGGZADSQK-AUSIDOKSSA-N 469.310 4.996 10 1 JJCF CCCCO[C@@H]1C[C@@H](C(=O)NCc2ccc(N)cc2)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 4202234 HFCDSGKUEBFKHV-IZLXSDGUSA-N 485.628 4.581 10 1 JJCF CCOc1ccc(S(=O)(=O)N(CC(=O)/N=N/c2c(O)[nH]c3ccccc23)c2ccccc2)cc1 101033373 SWSSHGSRPZMMDM-CYYJNZCTSA-N 478.530 4.778 10 1 JJCF Cc1ccc(-c2nnc(SCc3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)n2C)cc1 586966029 ZKMOBXARGVSSED-UHFFFAOYSA-N 465.538 4.735 10 1 JJCF Cc1cc(O)c(O)c(Br)c1Cc1cc(O)c(O)c(Br)c1Br 96928670 ILPAROUUABOINQ-UHFFFAOYSA-N 482.950 4.696 10 1 JJCF O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc(O)c(O)c2O)[C@@H]1c1ccc(F)cc1 587349785 FVKFMOXUBOKROR-YIXXDRMTSA-N 458.441 4.951 10 1 JJCF COc1ccc(C[C@]2(c3c(O)cc(O)cc3O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587811126 VJGDHUPCUDZNPG-OZAJXLCCSA-N 488.353 4.734 10 1 JJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2)(c2c(O)cc(O)cc2O)N1 587819547 AVTHUIZRHDJUKL-ZLOXQWCVSA-N 458.327 4.726 10 1 JJCF COc1cc(O)ccc1-c1c(Cc2ccc(O)c(O)c2)c(O)cc2c(OC)c(O)c(OC)cc12 2356284120 OHQDOWMYUMNAJG-UHFFFAOYSA-N 464.470 4.651 10 1 JJCF CC(C)(C)c1cc(Br)c(O)c(/N=N\c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 101403698 LVEYPWQNSYTBLO-FCQUAONHSA-N 482.400 4.889 10 1 JJCF CCOC(=O)C1CCN(c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)CC1 587765039 BHLLKJBMXOTZCD-CMJOXMDJSA-N 475.402 4.991 10 1 JJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)C(=O)c2ccccc2)(c2ccccc2)N1 587814824 JBMWIHQLWMIZKJ-MYYSRTQBSA-N 452.323 4.818 10 1 JJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(c3ccccc3)Oc3cc(O)c(O)c(O)c32)N1 587840543 YXNXZBCVTQMYME-YYUOZPCZSA-N 484.321 4.916 10 1 JJCF CCOc1cccc([C@H]2CC(c3ccc4c(c3)OCO4)=N[C@@H](c3ccc(C(=O)OC)cc3)N2)c1O 9542359 DROXSUMGECLHSP-QFQXNSOFSA-N 474.513 4.529 10 1 JJCF Nc1ccc(Oc2ccc3nc(-c4cc(S(=O)(=O)NC5CC5)ccc4Br)[nH]c3c2)cc1 586951172 KABBLGRKKHWSCI-UHFFFAOYSA-N 499.390 4.808 10 1 JJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCC(C(=O)O)CC3)cc2)N1 587772213 YJYHHKDZBQLXCM-QKFKETGDSA-N 461.375 4.687 10 1 JJCF Oc1cc(I)ccc1[C@H]1NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962961870 WVGPXVSXCXVGAT-SFHVURJKSA-N 489.275 4.756 10 1 JJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCOCC3)cc2Br)N1 587680136 SMXOBHKMMNCIIT-FKIZINRSSA-N 484.207 4.811 10 1 JJCF CNC(=O)c1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3OC)c3ccc(Cl)cc3nc12 29392536 AOEFNHHZXTXKAT-UHFFFAOYSA-N 484.965 4.525 10 1 JJCF COc1ccc(COc2ccc3cc(/C=C4\SC(=S)N(CC(=O)O)C4=O)ccc3c2)cc1 98083205 HPIDBGAWJVILBF-NHDPSOOVSA-N 465.552 4.713 10 1 JJCF CC[C@H]1CCC2=c3c(nc(-c4ccc(-c5nc6cc(C)c([N+](=O)[O-])cc6[nH]5)cc4)[nH]c3=O)=S=C2C1 587040307 YGZQDTZKPJSTBM-AWEZNQCLSA-N 485.569 4.728 10 1 JJCF CCOC(=O)CCC[C@]1(c2ccc(N(CC)CC)cc2)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963239457 WUEMATGTAPUFQK-LITSAYRRSA-N 489.616 4.657 10 1 JJCF CCOC(=O)CCC[C@]1(c2ccc(N(CC)CC)cc2)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963239454 WUEMATGTAPUFQK-GGXMVOPNSA-N 489.616 4.657 10 1 JJCF Oc1cc(O)c2c(c1)C[C@@H]1c3cc(O)c(O)cc3[C@H](c3ccc(O)c(O)c3)Cc3cc(O)cc-2c31 12153344 GHKGLJBAXWBDGN-FXAWDEMLSA-N 470.477 4.669 10 1 JJCF biogenic Cc1[nH]n(-c2cccc(Cl)c2)c(=O)c1/N=N/c1c(O)cc(S(=O)(=O)O)c2ccccc12 169330537 HYOUQMQHIDIHNP-GHVJWSGMSA-N 458.883 4.648 10 1 JJCF COC(=O)Nc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3OC)c3cccc(C)c3nc2c1 26838869 NOLGVHQDVUXASK-UHFFFAOYSA-N 480.546 4.998 10 1 JJCF CC(=O)Nc1ccc(OCC(=O)N[C@H](c2cccc(F)c2)c2cc(Cl)c3cccnc3c2O)cc1 40919230 RBGMULYHHYNGPN-XMMPIXPASA-N 493.922 4.976 10 1 JJCF CCCN(CCCCCCNCCOc1ccccc1OC)[C@H]1CCc2c(ccc(O)c2O)C1 3806125 VXTWRHAXCNDKIL-QHCPKHFHSA-N 470.654 4.905 10 1 JJCF CCOc1ccc(-n2c(C)c3c(C)nnc(N4CCC5=C(C4)N[C@H]4C=CC=C[C@@H]54)c3c2C)cc1 169353153 TWLXCPIOYOMVNR-UPVQGACJSA-N 453.590 4.923 10 1 JJCF C[C@]1(c2c(O)cccc2Br)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963186424 VFXKVMDVJCZLFF-GUYCJALGSA-N 464.665 4.689 10 1 JJCF CO[C@H]1c2c(c(C(=O)CC(C)C)c(O)c3c(-c4ccccc4)cc(=O)oc23)O[C@@H]1C(C)(C)O 13429381 BKXVARUZTSGCEV-DQEYMECFSA-N 452.503 4.614 10 1 JJCF biogenic Cc1ccc2c(c1)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(=O)[C@@H](c1ccc(O)c(O)c1)O2 587833299 MYVNPJXZLJJIQL-LGAWEZIESA-N 498.348 4.788 10 1 JJCF COc1ccc2c(c1)[C@@H](NS(C)(=O)=O)[C@H](C)[C@@H](c1ccccc1)N2Cc1cccc(F)c1 96018418 HCVLLNPUOUBULH-HDBFHEOPSA-N 454.567 4.822 10 3 JJCF O=S(=O)(Nc1cc(Sc2nnn[nH]2)c(O)c2ccccc12)c1ccc(-c2ccc(F)cc2)cc1 84654723 BQJVNVOUCZBBBG-UHFFFAOYSA-N 493.545 4.817 10 1 JJCF CC(=O)OCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccncc2)cc1 146995386 UVZOZMAYQVPIQS-UHFFFAOYSA-N 486.977 4.608 10 1 JJCF CCOc1ccc(NC(=S)NNc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)cc1 1857649150 UMWFRMXPQFHXCP-UHFFFAOYSA-N 465.966 4.751 10 1 JJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2cc(O)cc(O)c2)(c2ccc(O)cc2O)N1 587819985 CJPKZLSNISTWLX-IPUXGEMRSA-N 486.337 4.902 10 1 JJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(c3cc(O)c(O)c(O)c3)Oc3ccccc32)N1 587843579 SPTHZOYTYRKBNI-YYUOZPCZSA-N 484.321 4.916 10 1 JJCF COc1ccc(-c2ccc(CCC(=O)O)n2-c2ccc(N3CCN(C)CC3)c(Br)c2)cc1 587938043 XZCIAXOZADGIJF-UHFFFAOYSA-N 498.421 4.684 10 1 JJCF O=C1CCCC[C@@H]1Cc1c(Br)c(O)c(O)c(Br)c1Br 14769554 LLMBLIAKCCQZSI-ZCFIWIBFSA-N 456.956 4.687 10 1 JJCF biogenic O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cc(I)ccc3F)[nH]c21 587182342 IAZARLSJQWIGPR-UHFFFAOYSA-N 468.225 4.749 10 1 JJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCC(C(=O)O)CC3)cc2)N1 587772206 YJYHHKDZBQLXCM-FATZIPQQSA-N 461.375 4.687 10 1 JJCF CCn1c(/C=C/C=C2/N(CC(=O)N(C)C)c3ccccc3C2(C)C)[n+](CC)c2nc3ccccc3nc21 13822039 GHOIHRCSBDTFBQ-UHFFFAOYSA-N 495.651 4.695 10 1 JJCF Cc1cc(C(=O)N[C@@H](C)c2ccc(O[C@@H]3CCN(c4ccc(OCC5CC5)cc4)C3)cc2)no1 1772620506 PIZYKVJZDARPRL-UQBPGWFLSA-N 461.562 4.921 10 1 JJCF O=C(NCc1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1)c1ccc(C(F)(F)F)cc1 28765686 FVNNGQHDWNBIQK-UHFFFAOYSA-N 461.528 4.533 10 1 JJCF O=C1c2oc(-c3ccc(Cl)cc3)cc2Cc2cc(N3CCNCC3)ccc2N1CC(F)F 96270556 QXQMRAROSYXRCW-UHFFFAOYSA-N 457.908 4.826 10 1 JJCF COC1=C(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c2[C@@]12NCCc1cccc(-c3ccccc3)c12 962672505 YGWWAIVNTOSVGU-SSEXGKCCSA-N 495.531 4.973 10 1 JJCF COc1ccc(N2C[C@H](C)N(C)[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cccs2)cc1 95598542 JIHFINWTNQERAK-HDICACEKSA-N 471.648 4.753 10 1 JJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(c1ccc(O)cc1)=COc1cc(O)cc(O)c12 587837562 IOTNRNSPGKSGAO-MCFWBGNESA-N 484.321 4.916 10 1 JJCF COc1cc(O)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br 587678552 ODUVMZHNUBTDPB-DYBLOJMWSA-N 459.153 4.863 10 1 JJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(O)c(O)c([N+](=O)[O-])c2)(c2ccccc2F)N1 587725179 BVPPUQPRHUOILF-XFNZEKPQSA-N 491.288 4.873 10 1 JJCF C=c1c(O)c(O)cc2c1=CC=C1[C@@]3(C)CC[C@@]4(C)CC[C@@](C)(C(=O)O)C[C@H]4[C@]3(C)CC[C@]12C 169715811 SYLIRTRYLBYOBO-JJWQIEBTSA-N 450.619 4.984 10 1 JJCF Cc1ccc([C@@]2(c3cc(O)c(O)c([N+](=O)[O-])c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587573817 DFCVGJKGZJNCOX-HOFKKMOUSA-N 485.448 4.925 10 1 JJCF COc1ccc(C[C@]2(c3c(O)cc(O)cc3O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587811131 VJGDHUPCUDZNPG-RZFZLAGVSA-N 488.353 4.734 10 1 JJCF O=C1c2c(cc(O)c(O)c2O)C=CC[C@@]12NCCc1c2[nH]c2ccc(OCc3ccccc3)cc12 963816746 HKKSMGKCQXLRLE-NDEPHWFRSA-N 468.509 4.505 10 1 JJCF COc1cccc(C(=O)N[C@H](c2ccc3c(c2)OCO3)c2cc(Cl)c3cccnc3c2O)c1 890472 XBRTYHPZURCAFS-JOCHJYFZSA-N 462.889 4.851 10 1 JJCF CN1C[C@H](c2ccc(C(F)(F)F)cc2)[C@]2(Cc3ccccc3C2=O)C12C(=O)c1ccccc1C2=O 84669687 TZTYTUGQWBZLIA-GJZUVCINSA-N 475.466 4.978 10 1 JJCF C[C@H]1CC[C@H]2C(C)(C)[C@H](O)CC[C@@]2(C)[C@]12Cc1c(cc3c(c1O)CN(CCCCC(=O)O)C3=O)O2 238732038 YXXJZDHHJXYRMR-XPQXMPOESA-N 485.621 4.510 10 1 JJCF Nc1ccc(Oc2ccc3nc([C@@H](N)Cc4ccc(I)cc4)[nH]c3c2)cc1 587185126 XMAQQFPQXKTOKZ-SFHVURJKSA-N 470.314 4.785 10 1 JJCF CN1CCc2c(Br)cccc2[C@H]1c1ccc(Cl)c(I)c1O 963289895 RGXJQAOXUHWHCO-HNNXBMFYSA-N 478.555 4.990 10 1 JJCF O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/c2cccc(-c3nccs3)c2)SC1=S 96929609 BQCITQHZNVXKLT-XIDKLXSXSA-N 452.582 4.707 10 1 JJCF Cc1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc2n1C[C@H](O)CN1CCCC1 587591565 FTUXATORBAVSCE-XCXKENDISA-N 498.579 4.815 10 1 JJCF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(c1cnn(-c2ccccc2)c1)c1cc(F)ccc1O 963637540 SOPCOEDHPXXPIV-CRYYWNKWSA-N 459.521 4.560 10 1 JJCF CCC(=O)OCCN(Cc1ccccc1)/N=N/c1cc(-c2c(N)nc(N)nc2CC)ccc1Cl 13863485 MQOLFQNBFNLFFJ-NVQSTNCTSA-N 481.988 4.978 10 1 JJCF CCOC(=O)Nc1cc(CO)cc(Nc2c3cccc(C)c3nc3c(C(=O)NC)cccc23)c1 27524472 LNUSGCBJTOKNKY-UHFFFAOYSA-N 458.518 4.860 10 1 JJCF CS(=O)(=O)NCCCCCCCCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2 84709659 JGKFSGVATRMGCF-UHFFFAOYSA-N 480.630 4.883 10 1 JJCF CCOc1ccc([C@@]2(c3ccccc3)N[C@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)c(O)c1 962702628 RWQSNTGMNZKXMF-XUZZJYLKSA-N 475.438 4.840 10 1 JJCF O=C(O)[C@@H]1Cc2cccc(F)c2[C@](Cc2ccc(F)cc2)(c2ccc(Br)cc2O)N1 962914983 ACCZHHIMVFUDDB-CVDCTZTESA-N 474.301 4.518 10 1 JJCF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@@]2(CCC(=O)O)c1cc(C)ccc1O 963862918 KBQSHKXTWSTFAS-XHCCPWGMSA-N 483.561 4.754 10 1 JJCF O=S(=O)(C(F)F)N1CCN(c2ccc(/C=C/c3cc(F)cc(-c4ccncc4)c3)cc2)CC1 1857638043 DUJDBLKBRCOOEG-OWOJBTEDSA-N 473.520 4.733 10 1 JJCF COc1cccc2cc3c(nc12)[C@@H](c1cc(Br)cc(C(F)(F)F)c1O)NCC3 963061465 CFXAXGGUDIPPRB-GOSISDBHSA-N 453.258 4.965 10 1 JJCF CCc1nc(N)nc(N)c1-c1ccc(Cl)c(/N=N/N(CCOC(C)=O)Cc2ccccc2)c1 18068911 QKBISNUGIKKCIM-QVIHXGFCSA-N 467.961 4.588 10 1 JJCF in-vitro COc1ccc(-n2c(C)cc([C@H]3c4ccccc4C[C@@]4(C5CCC5)C(=O)NC(=O)N34)c2C)cc1OC 962668584 OGDNTSDRJWMOCR-GGXMVOPNSA-N 485.584 4.848 10 1 JJCF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](COc2ccccc2C(=O)O)(c2ccc(O)cc2O)N1 962947075 MVBVXGFJYQXHJZ-RKOGDMNLSA-N 458.514 4.524 10 1 JJCF CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2ccc(OC)c(O)c21 85665114 VGVMWYKSFWBRKQ-BPCBYJRWSA-N 466.622 4.640 10 1 JJCF CNC(=O)c1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3N(C)C)c3ccc(Cl)cc3nc12 27724508 SXQPPISSXOBLOK-UHFFFAOYSA-N 498.008 4.582 10 1 JJCF Cc1c(C(=O)c2cc(Cl)ccc2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)ccc[n+]1[O-] 113626695 FAUONTNUWIUZHU-UHFFFAOYSA-N 458.967 4.611 10 1 JJCF COC(=O)C1CCN(c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)CC1 587771107 VLMUMSPCKLIRIN-FPTDNZKUSA-N 461.375 4.601 10 1 JJCF Cc1c(O)ccc2c1[C@]1(CCCc3c1cc(C)n3-c1cccc(C(F)(F)F)c1)N[C@H](C(=O)O)C2 963522703 GJRNNHIKAACTDP-NBGIEHNGSA-N 470.491 4.997 10 1 JJCF Cc1c(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)nnn1Cc1ccc(Cl)cc1 587074049 PQGIXDYRZOJDOL-UHFFFAOYSA-N 453.889 4.607 10 1 JJCF O=C(O)c1cccc2c1CCN[C@@]2(Cc1ccc(F)cc1)c1ccc(Br)cc1O 963129022 DIOTUFURBGRTER-HSZRJFAPSA-N 456.311 4.624 10 1 JJCF O=C(O)c1nc(Cl)c(Cl)c(/N=N/[CH-]c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1Cl 169690354 RMQWKRZYIYMKRH-XTQSDGFTSA-N 473.680 4.779 10 1 JJCF COc1cc2c(cc1OC)[C@](C)(c1cc(C(F)(F)F)ccc1O)N(C(=O)c1ccccc1N)CC2 963145696 UZFCSIVHHFPFKN-RUZDIDTESA-N 486.490 4.972 10 1 JJCF CCOC(=O)CCc1ccc(-c2ccc(OC)cc2)n1-c1ccc(C(=O)Nc2ccnnc2)cc1C 84603178 QXVFIXXIMPMLOP-UHFFFAOYSA-N 484.556 4.999 10 1 JJCF CN1C[C@@H](c2ccc(Br)cc2)[C@@]2(Cc3ccccc3C2=O)C12C(=O)c1ccccc1C2=O 169568210 DPPLSMDCPQEEMG-BKMJKUGQSA-N 486.365 4.722 10 1 JJCF Oc1cc2c3c(c1)[C@@H]1c4c(cc(O)cc4[C@H]3[C@H](c3ccc(O)c(O)c3)O2)O[C@H]1c1ccc(O)c(O)c1 238742772 PKEVBTFRDVTGPT-VIJSPRBVSA-N 484.460 4.765 10 1 JJCF CCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3c(C(N)=O)cccc23)c(OC)c1 26839127 CSJKYRQBXZYIAK-UHFFFAOYSA-N 478.574 4.781 10 1 JJCF CC(=O)c1ccc2c(c1)[C@H](c1ccc(N(C)C)cc1C)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962632582 UIFWYELWWVPRDD-GOTSBHOMSA-N 452.551 4.599 10 1 JJCF Oc1ccccc1[C@H]1C=C(c2ccc3c(c2)OCO3)N[C@@H](c2cccc(Br)c2)N1 2934957 NGBWNIZBOWNBIS-AUSIDOKSSA-N 451.320 4.857 10 1 JJCF COc1cc(C/N=N/c2nc(Nc3ccc(F)cc3)nc(N3CCCCC3)n2)ccc1OCC(=O)O 169723742 FTZXMTRXHPMUED-GKPLWNPISA-N 495.515 4.501 10 1 JJCF COC(=O)C1CCN(c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)CC1 587771110 VLMUMSPCKLIRIN-JLCFBVMHSA-N 461.375 4.601 10 1 JJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(c3cc(O)c(O)c(O)c3)Oc3ccccc32)N1 587843575 SPTHZOYTYRKBNI-MCFWBGNESA-N 484.321 4.916 10 1 JJCF COc1ccc2c(c1OC)[C@@H](c1cc(Br)cc(Br)c1O)N(C)[C@H](C)C2 962628095 GTFUNTCEADXGBH-BMLIUANNSA-N 471.189 4.900 10 1 JJCF CCCCO[C@@H]1C[C@H](C(=O)NCc2ccc(N)cc2)N(C(=O)c2cccc(Oc3ccccc3)c2)C1 4202160 RHHYMWXQFKSHNY-KAYWLYCHSA-N 487.600 4.777 10 1 JJCF Cc1cc(C)cc(S(=O)(=O)c2c(C(=O)NCc3ccc(N)cc3)[nH]c3ccc(Cl)cc23)c1 169337501 HBAUMQQFNPWLMG-UHFFFAOYSA-N 467.978 4.783 10 1 JJCF CN(CCO)c1ccc(-c2nc3c(C(=O)Nc4ccc(C(F)(F)F)cc4)cccc3[nH]2)cc1 587193314 YKQAEQSSPDXICI-UHFFFAOYSA-N 454.452 4.930 10 1 JJCF Cc1cc(N2CCNCC2)nc2ccc(NC(=O)/C=C/c3ccc(OC(F)(F)F)cc3)cc12 13671959 FXDDFPUEYPXKQX-RUDMXATFSA-N 456.468 4.503 10 1 JJCF O=C1c2ccc(O)cc2O[C@]2(C(=O)[C@H](c3ccc(O)c(O)c3)Oc3ccccc32)[C@@H]1c1ccc(F)cc1 587353333 MZCCKJLBJGFTGA-WBJKNQCFSA-N 498.462 4.900 10 1 JJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Br)cc([N+](=O)[O-])c2O)N1 587678305 KLTIBGONAZJDEQ-CQLKUDPESA-N 474.124 4.762 10 1 JJCF Cc1c(O)nc(N(C)Cc2ccc(N3CCN(C)CC3)cc2)nc1Cc1c(Cl)cccc1Cl 653739135 DOXIARRHDLJNGD-UHFFFAOYSA-N 486.447 4.776 10 1 JJCF O=C1c2ccccc2C(=O)c2c1ccc1nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c21 587076914 OXHUXOXVKCRBGK-UHFFFAOYSA-N 454.873 4.827 10 1 JJCF O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc(O)c(O)c2O)[C@@H]1c1ccc(F)cc1 587349772 FVKFMOXUBOKROR-KCWPFWIISA-N 458.441 4.951 10 1 JJCF COc1cc([C@@H]2c3cc4c(cc3[C@H](Nc3ccc(Cl)cc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(O)c1O 26394707 HXPCCQKRJWXBKD-JDGBCZCZSA-N 495.915 4.576 10 1 JJCF O=C1c2ccc(O)cc2O[C@]2(C(=O)[C@H](c3ccc(O)c(O)c3)Oc3ccccc32)[C@H]1c1ccc(F)cc1 587353331 MZCCKJLBJGFTGA-RWPDHJIBSA-N 498.462 4.900 10 1 JJCF Cc1ccc2c(c1)C(=O)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)[C@H](c1ccc(O)c(O)c1)O2 587618927 VOFVXMAIXJYFPF-GHPJVDHGSA-N 496.471 4.829 10 1 JJCF CCOC(=O)CC[C@]1(c2ccc(N(C)C)cc2)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963179528 MDFKMAGLPJTTPN-NZQKXSOJSA-N 498.929 4.611 10 1 JJCF Cc1ccc2c(c1)C(=O)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)[C@H](c1ccc(O)c(O)c1)O2 587618928 VOFVXMAIXJYFPF-MHZHKKNFSA-N 496.471 4.829 10 1 JJCF NCc1ccccc1-c1ccc(C(=O)N2N=C(c3cncc(N)c3)C[C@@H]2c2c(O)cccc2F)s1 71335165 XJXZYNPPFGRNGY-OAQYLSRUSA-N 487.560 4.687 10 1 JJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2cc(Br)ccc2O)N1 587679827 OFMKQKZUHQPQPG-DGIBIBHMSA-N 487.163 4.699 10 1 JJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)C(=O)c2ccccc2)(c2ccccc2)N1 587816661 ZPKUHBQOWIZOBN-IZHWHUGBSA-N 452.323 4.818 10 1 JJCF O=[N+]([O-])[C@H]1[C@H](c2ccccc2Br)CCN(Cc2cccnc2)[C@@H]1c1ccc(O)c(O)c1 13521619 NMYPTUIZBNECAG-NMNUPHIUSA-N 484.350 4.631 10 1 JJCF CC(C)(c1ccc(S(=O)(=O)Nc2cc(F)c(F)cc2C(=O)c2ccccn2)cc1)c1ncco1 201774668 SLAZSPCAEVBNBM-UHFFFAOYSA-N 483.496 4.706 10 1 JJCF COc1ccc(/C=C2\C(=O)N(c3cccc(C(=O)O)c3)N=C2C(F)(F)F)cc1Br 1857757390 PSSZQWNENLGFCY-QPEQYQDCSA-N 469.213 4.504 10 1 JJCF COC(=O)c1ccc(F)c(-c2cccc([C@@H]3N[C@H](C(=O)C(F)(F)F)Cc4ccccc43)c2O)c1 962728497 DYUZUBRIXWYXDO-LEWJYISDSA-N 473.422 4.720 10 1 JJCF O=C1c2ccccc2C(=O)c2c1ccc1nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c21 587018599 JMCOFJHUKFSREY-UHFFFAOYSA-N 479.517 4.824 10 1 JJCF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1 587040636 PQPJYKQNALOTAL-NRFANRHFSA-N 483.549 4.625 10 1 JJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCC4(CC3)OCCO4)cc2)N1 587769151 XLDIJSCUXVNOLS-QRQCRPRQSA-N 461.375 4.555 10 1 JJCF CC(C)(NC(=O)OCc1ccccc1)c1cc(O)c(O)c(C(=O)NCc2ccccc2Cl)c1 1857547427 XBZYYNFYGGZWSO-UHFFFAOYSA-N 468.937 4.843 10 1 JJCF COc1cc(O)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br 587677257 JYYAIYHPZFDHRP-NIVTXAMTSA-N 459.153 4.863 10 1 JJCF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@H](c2cc(Br)c(F)c(F)c2O)N1 963177684 DISXXOXXYNKUAL-SMDDNHRTSA-N 486.618 4.793 10 1 JJCF CN(C)c1ccc(/C=C2/SC(=O)N(Cc3nc4ccccc4c(=O)n3-c3ccccc3)C2=O)cc1 1857769559 QZOFZWYZDMEBQO-XQNSMLJCSA-N 482.565 4.688 10 1 JJCF COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587808950 OXUXGLKAYIHVHG-UOXLDJKESA-N 498.348 4.687 10 1 JJCF Cc1c(O)cc2c(c1O)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1ccccc1C2=O 587834125 RAAOKMOIHFSPKH-JNDILOIQSA-N 468.322 4.678 10 1 JJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(c3cc(O)c(O)c(O)c3)Oc3ccccc32)N1 587845166 ZDDAUHYSOIHVHF-OIRASMEMSA-N 484.321 4.916 10 1 JJCF Cc1ccc(NC(=O)Cn2c(O)c(N=NC(=O)c3cc([N+](=O)[O-])ccc3O)c3ccccc32)cc1 253989091 SNYQCOQSBMEOFD-UHFFFAOYSA-N 473.445 4.832 10 1 JJCF COc1ccc(Oc2c(Cl)cnn(Cc3ccc4c(c3)C(=O)c3ccccc3C4=O)c2=O)cc1 73314394 SFDYLIXXJBLVCS-UHFFFAOYSA-N 472.884 4.521 10 1 JJCF COCCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 82188037 SGXDFNVKRZDZJZ-FQEVSTJZSA-N 456.594 4.956 10 1 JJCF O=C1c2ccc(OCCN3CCCCC3)cc2C(=O)[C@]12C(c1ccc(O)cc1)=Cc1cc(O)ccc12 28760200 HSKXJPNHMGUVPL-SSEXGKCCSA-N 481.548 4.834 10 1 JJCF C/C=C(/C)C(=O)O[C@@H]1C[C@@](O)(C(C)C)[C@@H]2[C@@H](OC(=O)c3ccc(O)c(O)c3)CC(C)=CC[C@]21C 238750026 OIVJYFMVWBPZSP-SICYCUDISA-N 472.578 4.655 10 1 JJCF O=C(Cn1c(/C=C2\C(=O)N(c3ccccc3)C(=S)N=C2O)cc2ccccc21)Nc1ccccc1 45337735 ZQJYEGZBFIIBQT-JWGURIENSA-N 480.549 4.952 10 1 JJCF NCc1ccccc1-c1ccc(C(=O)N2N=C(c3cccnc3)C[C@H]2c2ccccc2O)s1 71333500 ZHTGLEKJMOFFQV-QFIPXVFZSA-N 454.555 4.966 10 1 JJCF O=C1c2ccccc2C(=O)C1[C@]1(c2ccccc2)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963190903 YEBUJUZQZGEJKB-AVRWGWEMSA-N 499.872 4.897 10 1 JJCF Oc1ccc(Br)cc1[C@H]1C=C(c2ccc3c(c2)OCO3)N[C@H](c2cccc(F)c2)N1 2935189 OVQWOZGGZADSQK-XXBNENTESA-N 469.310 4.996 10 1 JJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)c(F)c(F)c2O)N1 587720654 NTQNVRJOKNRFRB-WDDATRMLSA-N 451.080 4.958 10 1 JJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(c1ccc(O)cc1)=COc1cc(O)cc(O)c12 587836992 CRWJJVGDVQDOPL-MCFWBGNESA-N 484.321 4.916 10 1 JJCF NCc1ccc(-c2ccc(C(=O)N3N=C(c4cccnc4)C[C@@H]3c3ccccc3O)s2)cc1 71333434 LLCSJKQUHUWARX-JOCHJYFZSA-N 454.555 4.966 10 1 JJCF COc1cccc([C@@H]2O[C@@H](CC(=O)O)c3ccc(CN(C)C)n3-c3ccc(Cl)cc32)c1OC 84709763 UMQYJWLKHQZCFV-UPVQGACJSA-N 470.953 4.845 10 1 JJCF NC(=O)c1cc(N=Nc2c(N)[nH]n(-c3c(Cl)cc(Cl)cc3Cl)c2=O)ccc1Cl 299849922 XKOKFNGOIXOTBZ-UHFFFAOYSA-N 460.108 4.876 10 1 JJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCOCC3)cc2Br)N1 587680139 SMXOBHKMMNCIIT-YUNKPMOVSA-N 484.207 4.811 10 1 JJCF COc1cc(OC[C@H]2CC2(F)F)ccc1N1CC[C@H](Oc2ccc([C@H](C)NC(C)=O)cc2)C1 1772611105 CMKLBDQBVLUBNH-NBCNXNJRSA-N 460.521 4.584 10 1 JJCF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)cc2N1 587126192 XARFNHJWVSYCPD-MGPLVRAMSA-N 451.408 4.509 10 1 JJCF CC(C)=CCC1(CC=C(C)C)C(=O)C(=O)[C@H](O)[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587834920 ULMPEOQBRABFTD-NFKSOIJDSA-N 478.402 4.529 10 1 JJCF Nc1c(S(=O)(=O)O)cc(Nc2ccc(Cc3ccccc3)cc2)c2c1C(=O)c1ccccc1C2=O 40953676 SZDMMMDMLDBHCB-UHFFFAOYSA-N 484.533 4.625 10 1 JJCF CCOC(=O)c1ccc(NC(=O)Cc2sc(/N=N/Cc3c[nH]c4ccccc34)nc2O)cc1 169689472 DQRMYUYQTCHTNO-AZPGRJICSA-N 463.519 4.972 10 1 JJCF C[C@H]1C(=O)[C@H](C)[C@H](c2cc(Br)ccc2O)N[C@H]1c1cc(Br)ccc1O 13151435 OABITYYYJTZDBK-UBVDWCKXSA-N 469.173 4.850 10 1 JJCF Oc1c(O)c(Cl)c2c(c1Cl)CCN(C(=S)NCCc1ccc(Br)cc1)C2 29131760 PEHDXIUGSKXPKF-UHFFFAOYSA-N 476.223 4.642 10 1 JJCF CCN(CC)S(=O)(=O)c1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@@H]43)[nH]c2c1 587276085 IXMIIFDVSQABBK-IUKKYPGJSA-N 481.578 4.637 10 1 JJCF CN(C)c1ccc([C@@]2(CCCCCC(=O)O)N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1 962975021 XEYMFDXKMRVLJC-NTKDMRAZSA-N 480.939 4.562 10 1 JJCF COC(=O)c1cccc(-c2cccc([C@H]3N[C@H](C(=O)C(F)(F)F)Cc4ccccc43)c2O)c1 962704545 CVAPLNWEXYFTJQ-SFTDATJTSA-N 455.432 4.581 10 1 JJCF c1ccc(CNc2ncnc3c2nc(-c2ccc(N4CCCC4)cc2)n3C[C@H]2CCCO2)cc1 82178358 OPZKVCPGQZCKQZ-HSZRJFAPSA-N 454.578 4.885 10 1 JJCF CCN1CCN(c2ccc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2F)CC1 587724225 GFMNBZRLXUHGKC-IQMFZBJNSA-N 464.398 4.667 10 1 JJCF Cc1cc([C@H]2c3[nH]c4ccccc4c3C[C@@H]([C@@H](O)CC(=O)O)N2C(=O)OC(C)(C)C)ccc1N(C)C 963069251 SMIWCRMKNUMLCQ-FXSPECFOSA-N 493.604 4.629 10 1 JJCF Cc1[nH]c2ccccc2c1CCNC(=O)CCCNCc1cc(Cl)c2cccnc2c1O 1857612200 WPNHTKMCALCYSY-UHFFFAOYSA-N 450.970 4.612 10 1 JJCF CC(C)=CCC1(CC=C(C)C)C(=O)C(=O)[C@H](O)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587834917 ULMPEOQBRABFTD-LIAVLPADSA-N 478.402 4.529 10 1 JJCF COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cc(Br)c(N)cc12 26940439 SOTQEEKLGXEHOQ-UHFFFAOYSA-N 487.379 4.856 10 1 JJCF COc1ccc(N2CCN(CCc3ccc(COc4cc(OC)cc(OC)c4)cc3)CC2)cc1 299821936 CNZQWVLREGLGPR-UHFFFAOYSA-N 462.590 4.656 10 1 JJCF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C=C(c1cc(O)c(O)c(O)c1)Oc1ccccc12 587613476 YEGPQMBNZGKCIJ-RBJSKKJNSA-N 482.444 4.800 10 1 JJCF CC(=O)OCOC(=O)c1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 40423117 IHRJEUSJKDWHTE-MFOYZWKCSA-N 481.473 4.789 10 1 JJCF O=C1c2ccc(O)cc2O[C@]2(C(=O)[C@@H](c3ccc(O)c(O)c3)Oc3ccccc32)[C@@H]1c1ccc(F)cc1 587353329 MZCCKJLBJGFTGA-NLFWHDTNSA-N 498.462 4.900 10 1 JJCF CC(C)(C)OC(=O)N1CCN(c2ccc([C@H]3c4ccc(F)cc4C[C@H]4CCCN34)cc2)CC1 963107675 SMAGXNKFHQWWRK-NOZRDPDXSA-N 451.586 4.993 10 1 JJCF CC1(c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3C(=O)c3cccnc3)cc2)CCOCC1 38310368 IURAIAJMBHUDBN-UHFFFAOYSA-N 470.978 4.835 10 1 JJCF Cc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(O)c(C(=O)O)c1 103243376 KFBGQFBLGIPUAN-JAIQZWGSSA-N 450.541 4.904 10 1 JJCF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cccc([N+](=O)[O-])c2O)N1C(=O)c1ccc(Cl)cc1 963016788 MPTVGQBVIXDTLH-RBBKRZOGSA-N 491.887 4.676 10 1 JJCF O=C1c2ccccc2C(=O)c2cc(NC[C@@H](O)COc3cccc4[nH]c5ccccc5c34)ccc21 1857634838 UOUAXJLUUFNYJN-GOSISDBHSA-N 462.505 4.948 10 1 JJCF COc1c(O)c(O)cc([C@@H]2C[C@H](O)[C@@H]3CC[C@@H](c4ccc(O)cc4)C[C@@H]3O2)c1Cc1cc[nH]c1 2356448405 CHHZHYXXSWTAQO-VIVBZGOZSA-N 465.546 4.506 10 1 JJCF Cc1ccccc1Oc1c(/C=C2\SC(=S)N(CC(=O)O)C2=O)c(C)nn1-c1ccccc1 95585538 YEWAORZJUSVSPI-UNOMPAQXSA-N 465.556 4.567 10 1 JJCF Cc1c(O)c(C)c2c(c1O)[C@]1(C[C@@H](c3ccc(O)cc3)O2)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962764284 LDXHWXPLKOPBEB-CUVVAGTFSA-N 499.485 4.833 10 1 JJCF O=S(=O)(Nc1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1)c1cccc(Cl)c1 40409873 IRLSHFFKRJSEAR-UHFFFAOYSA-N 457.360 4.595 10 1 JJCF COc1ccc(Br)cc1[C@@H]1CC(c2ccc(O)cc2)=NN1C(=O)c1cccnc1 45317876 JXJUUORZSBFDGJ-FQEVSTJZSA-N 452.308 4.550 10 1 JJCF COc1ccc(C2=NN(C(C)=O)[C@H](c3cc(Br)cc(Br)c3O)C2)cc1 95558731 QAIXNXSVEYTZAO-KRWDZBQOSA-N 468.145 4.623 10 1 JJCF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)[nH]c21 587172964 OOFHIAAVURCYLT-UHFFFAOYSA-N 467.431 4.933 10 1 JJCF CCCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)c4cncs4)cc3)C2)c(OC)c1 142233195 NUUYHYDSPVIUMV-KRWDZBQOSA-N 467.591 4.699 10 1 JJCF O=C1CS[C@@H](c2ccc(O)cc2O)N1c1nnc(Cn2c3ccccc3c3ccccc32)s1 53276541 HPSADHVHLFNXND-QHCPKHFHSA-N 474.567 4.884 10 1 JJCF COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccc(C)cc2)s1 95598550 PQHBRHTUHUFRPA-HDICACEKSA-N 471.648 4.720 10 1 JJCF Cc1cc2c(cc1O)[C@]1(C[C@H](C)Cc3c1cc(C)n3-c1ccc(Cl)c([N+](=O)[O-])c1)N[C@H](C(=O)O)C2 963528983 VKOKYPXCQQQFLI-AJYLYRAVSA-N 495.963 4.786 10 1 JJCF Cc1cc([C@@H]2c3scnc3C[C@H](C(=O)O)N2C(=O)OC(C)(C)C)c(C)n1-c1cccc([N+](=O)[O-])c1 963152211 YYVZPFIWFDUCNG-WOJBJXKFSA-N 498.561 4.795 10 1 JJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(c3ccc(O)cc3)Oc3cc(O)cc(O)c32)N1 587836514 ABOKGENWDPHSGW-YYUOZPCZSA-N 484.321 4.916 10 1 JJCF O=C1c2ccccc2C(=O)c2cc(NC[C@H](O)COc3cccc4[nH]c5ccccc5c34)ccc21 1857634839 UOUAXJLUUFNYJN-SFHVURJKSA-N 462.505 4.948 10 1 JJCF O=c1c2c(O)cccc2oc2cc(NS(=O)(=O)c3ccc(C4CCCCC4)cc3)c(O)c(O)c12 1857772047 RUVMFKVDJHUVCQ-UHFFFAOYSA-N 481.526 4.912 10 1 JJCF CCS(=O)(=O)Nc1cc(-c2cn(C)c3c(O)nccc23)cc2c1ccn2Cc1ccc(F)cc1 1911577474 FUKCVOWFVIKRIY-UHFFFAOYSA-N 478.549 4.850 10 1 JJCF CCCn1c2ccc(NC(=O)OC(C)C)cc2c2c3c(c4c(c21)CCc1nn(C)cc1-4)C(=O)NC3 34947325 OUAZADMJAQLGBI-UHFFFAOYSA-N 471.561 4.904 10 1 JJCF N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587258375 JBFHIKYGWUGUPO-QFIPXVFZSA-N 474.520 4.910 10 1 JJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCC4(CC3)OCCO4)cc2)N1 587769149 XLDIJSCUXVNOLS-NYHFZMIOSA-N 461.375 4.555 10 1 JJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](C(=O)O)N3)N1 587795990 PIIRWFXVCWCAAV-OTWKFHRJSA-N 471.370 4.924 10 1 JJCF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@](Cc2ccc(F)cc2)(c2ccc(O)cc2O)N1 963168419 CYZZOTUAVACBDI-JPYJTQIMSA-N 495.856 4.994 10 1 JJCF O=C(NCc1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1)c1ccccc1C(F)(F)F 28765030 PEQGTNYPWPTSJE-UHFFFAOYSA-N 461.528 4.533 10 1 JJCF CCN(CC)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 95591312 YCXVEPJQXRAATI-UHFFFAOYSA-N 465.619 4.882 10 1 JJCF Cc1ccc([C@@]2(c3cc(O)c(O)c([N+](=O)[O-])c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587573818 DFCVGJKGZJNCOX-KCWPFWIISA-N 485.448 4.925 10 1 JJCF COC(=O)C1CCN(c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)CC1 587769712 PCRDHLWXDDJZFU-PEBXRYMYSA-N 461.375 4.601 10 1 JJCF Cc1cc2c(cc1O)[C@@]1(N[C@H](C(=O)O)C2)c2ccccc2C(=O)c2c(NC(C)C)ccc(NC(C)C)c21 963491395 NEJFOQIVILJOBI-NGQVCNFZSA-N 499.611 4.776 10 1 JJCF COc1c(O)c(O)cc([C@@H]2C[C@H](O)[C@@H]3CC[C@H](c4ccc(O)cc4)C[C@@H]3O2)c1Cc1cc[nH]c1 2356448404 CHHZHYXXSWTAQO-OMLNERMVSA-N 465.546 4.506 10 1 JJCF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@](Cc2ccc(F)cc2)(c2ccc(Br)cc2O)N1 962914987 ACCZHHIMVFUDDB-WMZHIEFXSA-N 474.301 4.518 10 1 JJCF COc1ccc(Cc2nnc(/N=N/c3c(O)[nH]c4ccc(Br)cc34)nc2O)cc1 101652025 XRJVEQHIZVQEAX-SHHOIMCASA-N 455.272 4.541 10 1 JJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(I)ccc2O)N1 587740950 ZFIKDNQRKLTELN-PWJLMRLQSA-N 462.100 4.522 10 1 JJCF O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2c1ccc(O)c2O 587346886 ALSKARIYQUMWNI-NEKDWFFYSA-N 468.436 4.790 10 1 JJCF OCCC/C(=C(\c1ccc(O)cc1)c1ccc(N2CCN(C3COC3)CC2)cc1)c1ccccc1 1857583449 HUJOCQVNYHHQBD-QVIHXGFCSA-N 470.613 4.645 10 1 JJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](C(=O)O)N3)N1 587794697 PIIRWFXVCWCAAV-WMIIJCMQSA-N 471.370 4.924 10 1 JJCF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](COc2ccccc2C(=O)O)(c2ccc(O)cc2O)N1 962947060 MVBVXGFJYQXHJZ-CHAGWJKLSA-N 458.514 4.524 10 1 JJCF CCN(CC)C(=S)/N=N\c1c(O)n(CN2CCN(Cc3ccccc3)CC2)c2ccccc12 28528901 HYPUTVKBQSUNLI-RQZHXJHFSA-N 464.639 4.833 10 1 JJCF CC(=O)Nc1cncc(C(=O)N[C@H](C)Cc2ccc(C3CN(c4ccc(OCC5CC5)cc4)C3)cc2)c1 149635279 WSKZAEVYYHQCOC-HXUWFJFHSA-N 498.627 4.794 10 1 JJCF Cc1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc2n1C[C@@H](O)CN1CCCC1 587591561 FTUXATORBAVSCE-NIQOGTEGSA-N 498.579 4.815 10 1 JJCF CCOC(=O)C1CCN(c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)CC1 587766215 GEYOOXUMJJWIEJ-WNSKOXEYSA-N 475.402 4.991 10 1 JJCF O=C(O)[C@H](Cc1c[nH]c2ccccc12)N1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 28714322 YWNIWYSIZUOBBC-NBPJVQFTSA-N 487.400 4.828 10 1 JJCF CC(=O)Nc1cc(C(=O)N[C@@H](C)c2ccc(C3CN(c4ccc(OCC5CC5)cc4)C3)cc2)ccn1 149930069 XYTWYNLUNOQOJH-IBGZPJMESA-N 484.600 4.924 10 1 JJCF O=C(c1ccncc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(-c2nccs2)cc1 166307858 QGSQXFLGSAWLPC-UHFFFAOYSA-N 455.948 4.890 10 1 JJCF CN(C)c1ccc([C@H]2CC(c3ccccc3)=NN2C2=NC(=O)/C(=C3/C(=O)Nc4ccccc43)S2)cc1 215725515 XFQIZGJQGGVATP-YSBOMUIGSA-N 493.592 4.897 10 1 JJCF O=C1c2ccccc2[C@@]2(c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)c2c(O)cccc21 962621169 ANGLNPXVWLOJAJ-FWUCURJTSA-N 458.561 4.975 10 1 JJCF O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc2c(S(=O)(=O)Nc3ccc(F)cc3)cccc12 34074712 YSOHREBDEQJYKA-RIYZIHGNSA-N 478.501 4.843 10 1 JJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(I)ccc2O)N1 587740924 YWXZIVVIBUHBEM-XYZCENFISA-N 476.127 4.696 10 1 JJCF CC1(C)O[C@@H]2c3ccccc3C(=O)C(=O)[C@@H]2[C@@H]1Nc1ccc(Br)cc1Br 169304918 WSVMBURZMWMWQM-IPELMVKDSA-N 479.168 4.924 10 1 JJCF COC(=O)c1ccc(-n2c(CCC(=O)O)ccc2-c2ccc(Cl)cc2)c(O[C@H]2CCOC2)c1 587924652 HLYHSANAEHUBTH-FQEVSTJZSA-N 469.921 4.769 10 1 JJCF COc1ccc(Br)cc1[C@H]1NC(c2ccc3c(c2)OCO3)=C[C@@H](c2ccccc2O)N1 2936772 WJYDXZQCIALVDS-CYFREDJKSA-N 481.346 4.866 10 1 JJCF O=C(O)c1cccc(N2N=C(C(F)(F)F)/C(=C\c3ccc(-c4ccccc4C(=O)O)o3)C2=O)c1 653837598 DWSJOSLXKQYZQI-GZTJUZNOSA-N 470.359 4.692 10 1 JJCF C[C@H](Nc1nc(Nc2cccc(N)c2)c2ncn(CCc3ccc(N)cc3)c2n1)c1cccc(N)c1 40933795 JYJBNZCNQNHHKL-KRWDZBQOSA-N 479.592 4.732 10 1 JJCF O=C(c1ccc(-c2ccc(CO)cc2)s1)N1N=C(c2cccnc2)C[C@@H]1c1ccccc1O 71331482 KRDKITRDISDJDG-JOCHJYFZSA-N 455.539 5.000 10 1 JJCF CC[C@H](C)n1ncc(I)c1-c1nc2c3c(ccc2[nH]1)C(=O)c1ccccc1C3=O 587180970 KKDGGTGFXBBAKD-NSHDSACASA-N 496.308 4.777 10 1 JJCF O=C(O)[C@H]1Cc2cc(OC(F)(F)F)ccc2[C@H](c2cc3ccccc3c(Br)c2O)N1 962624671 FDLPJCZXDZTAFA-SJLPKXTDSA-N 482.252 4.895 10 1 JJCF COc1ccc(Br)cc1[C@@H]1NC(c2ccc3c(c2)OCO3)=C[C@H](c2ccccc2O)N1 2936769 WJYDXZQCIALVDS-NTKDMRAZSA-N 481.346 4.866 10 1 JJCF O=C(c1cccc2c(NCCc3c[nH]c4ccccc34)c3ccccc3nc12)N1CCOCC1 28570083 BHXGDHJACHVGRB-UHFFFAOYSA-N 450.542 4.996 10 1 JJCF O=S(=O)(Nc1cc(Sc2ncnc3nc[nH]c23)c(O)c2ccccc12)c1ccc(Cl)cc1 103267417 MFNLXIBWCIPXLJ-UHFFFAOYSA-N 483.962 4.817 10 1 JJCF COc1cccc([C@H]2O[C@@H](CC(=O)O)c3ccc(CN(C)C)n3-c3ccc(Cl)cc32)c1OC 84709765 UMQYJWLKHQZCFV-LADGPHEKSA-N 470.953 4.845 10 1 JJCF Cc1ccc([C@]2(C)c3[nH]c4ccccc4c3C[C@@H]([C@@H](O)CC(=O)O)N2C(=O)OC(C)(C)C)c(O)c1C 963069421 TVEOCMDWXIBVHX-RXYILKCJSA-N 494.588 4.751 10 1 JJCF COC(=O)c1c2c(nc3ccccc13)-c1cc(OC)c(OC)c(OCc3ccccc3F)c1C2=O 95586059 LANISHRGDTUVDC-UHFFFAOYSA-N 473.456 4.968 10 1 JJCF Cc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1/N=N/c1c(O)cc(S(=O)(=O)O)c2ccccc12 169330541 MXTCISKKPNIQFF-GHVJWSGMSA-N 458.883 4.648 10 1 JJCF CCCCO[C@H]1C[C@@H](C(=O)NCc2ccc(N)cc2)N(C(=O)c2cccc(Oc3ccccc3)c2)C1 4202163 RHHYMWXQFKSHNY-SVBPBHIXSA-N 487.600 4.777 10 1 JJCF COCC/N=N/Nc1ccc(C(=O)Nc2cccc(Nc3nccc(-c4cccnc4)n3)c2)cc1 13553265 GYDSVPDWOPXLNF-UHFFFAOYSA-N 468.521 4.960 10 1 JJCF O=C(c1ccncc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(N2CCCCC2)cc1 113626314 MDBUJNQHSGPUIA-UHFFFAOYSA-N 455.967 4.757 10 1 JJCF CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(O)c(O)c3)[nH]c(=O)c12 13585203 OPRAIFVPXXVXDL-UHFFFAOYSA-N 465.724 4.633 10 1 JJCF in-vivo CC1(c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3C(=O)c3ccncc3)cc2)CCOCC1 113624531 NJGBTWZCSPCYQR-UHFFFAOYSA-N 470.978 4.835 10 1 JJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](C(=O)O)N3)N1 587795994 PIIRWFXVCWCAAV-VRMGTIIOSA-N 471.370 4.924 10 1 JJCF CC1=NN(c2ccccc2)C(=S)/C1=C\NCCCN/C=C1/C(=S)N(c2ccccc2)N=C1C 100477826 WHNYVMAYQRWDNA-SWRBISBUSA-N 474.659 4.771 10 3 JJCF Cc1c(O)c(C)c2c(c1O)[C@@]1(C[C@@H](c3ccc(O)cc3)O2)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962764285 LDXHWXPLKOPBEB-DYLHXGEVSA-N 499.485 4.833 10 1 JJCF CC[C@@H](C)c1cc(C)c2c(c1O)[C@H](NC(=O)CN1CCN(c3cccc(Cl)c3)CC1)CC2 26171210 OGNLUKZPJQSXAY-UZUQRXQVSA-N 456.030 4.793 10 1 JJCF CC(=O)N[C@@H](Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)c1ccc(Br)cc1 586984833 JDBPMTSQIDGQSA-FQEVSTJZSA-N 488.341 4.521 10 1 JJCF CC(C)[C@]1(C2C(=O)c3ccccc3C2=O)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963189501 WUUCBNQUIKORFD-VGSWGCGISA-N 465.855 4.504 10 1 JJCF CCn1c(/C=C/C=C2/N(C)c3ccccc3C2(C)C)[n+](CCCO)c2nc3ccccc3nc21 13822027 SIKNXZKOTNWDHU-UHFFFAOYSA-N 454.598 4.599 10 1 JJCF COc1cc(C/N=N/c2nc(Nc3ccccc3)nc(-n3nc(C)cc3C)n2)cc(OC)c1OC 169689465 ZTJCGXZDALAIQO-QCWLDUFUSA-N 474.525 4.727 10 1 JJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])cc(Br)c2O)N1 587676667 IIPJQSJFCDPREE-MLXNANBUSA-N 460.097 4.588 10 1 JJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2cc(Br)ccc2O)N1 587679825 OFMKQKZUHQPQPG-APBUJDDRSA-N 487.163 4.699 10 1 JJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(I)ccc2O)N1 587740159 WWGNQQJVVWTOLW-VPTHRUTESA-N 462.100 4.522 10 1 JJCF C[C@]1(c2cccc(NC(=O)CN=[N+]=[N-])c2)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962961216 RHEZAYGAZWSRQP-OAQYLSRUSA-N 459.472 4.869 10 1 JJCF Cc1ccc2c(N3CCN(CCc4c(C)ccc5c4ccc(=O)n5C)[C@@H](C)C3)cc(F)cc2n1 64549722 XBOCLCGHZJWWCY-FQEVSTJZSA-N 458.581 4.596 10 1 JJCF Cc1c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc2n1C[C@@H](O)CN1CCCC1 587512333 CPPKUTNOHYSYDG-IDISGSTGSA-N 458.602 4.992 10 1 JJCF Cc1nn(C(=O)COc2ccc3c(C)cc(=O)oc3c2)c(C)c1/N=N/c1ccccc1C(=O)O 45300970 LVNBDYPUENWJPL-OCEACIFDSA-N 460.446 4.748 10 1 JJCF N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587002396 ZSYGFUGRIHMCGW-SFHVURJKSA-N 485.341 4.825 10 1 JJCF O=C1c2ccc(O)cc2O[C@@](c2ccc(O)cc2)(c2ccc(O)c(O)c2O)[C@@H]1c1ccc(F)cc1 587357600 USFJQHRPONYTEI-KCWPFWIISA-N 474.440 4.656 10 1 JJCF COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587808952 OXUXGLKAYIHVHG-XELLLNAOSA-N 498.348 4.687 10 1 JJCF Cc1cccc2c1[C@@](CCC(=O)O)(c1ccc(N(C)C)cc1)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963904807 SXHUXYSDPXIZSI-SKCUWOTOSA-N 496.604 4.806 10 1 JJCF CCOC(=O)COc1ccc(C(=O)c2cc(Cl)c(O)c(CN(C)C)c2)c(Cl)c1Cl 29336684 IHRCPXXSJREEGL-UHFFFAOYSA-N 460.741 4.587 10 1 JJCF COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2csc(C)c2)cc1 38269916 CBERZDKZIZGNMF-CALCHBBNSA-N 471.648 4.720 10 1 JJCF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(N(C)C)cc3)c(C)c2c1 587621209 QMZKQEKWESKHFG-UHFFFAOYSA-N 480.546 4.927 10 1 JJCF Cc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c(C)n1-c1cccc(-c2nnn[nH]2)c1 73165298 ICFCOQYPBGHNGT-JCMHNJIXSA-N 486.626 4.718 10 1 JJCF COc1cc2c(cc1OC)[C@@H](c1ccccc1O)N(c1cc(O)n(-c3ccccc3)c1O)CC2 169693092 ABZYXXSMEDOCHS-AREMUKBSSA-N 458.514 4.763 10 1 JJCF O=C(O)[C@@H]1Cc2cc(OC(F)(F)F)ccc2[C@H](c2cc3ccccc3c(Br)c2O)N1 962624668 FDLPJCZXDZTAFA-FUHWJXTLSA-N 482.252 4.895 10 1 JJCF CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 586983836 DBABUNUHHQZNPG-FQEVSTJZSA-N 488.341 4.521 10 1 JJCF O=C1c2ccccc2[C@@]2(c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)c2c(O)cccc21 962621177 ANGLNPXVWLOJAJ-IPBJYNAHSA-N 458.561 4.975 10 1 JJCF COc1ccc(C2=NN(C(C)=O)[C@@H](c3cc(Br)cc(Br)c3O)C2)cc1 95558732 QAIXNXSVEYTZAO-QGZVFWFLSA-N 468.145 4.623 10 1 JJCF CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@H]2C(=O)NCc2ccc(N)cc2)cc1 790067 PCCSYAMOLWOOGY-WNBLBNIUSA-N 497.639 4.908 10 1 JJCF COc1cccc([C@@H]2O[C@H](CC(=O)O)c3ccc(CN(C)C)n3-c3ccc(Cl)cc32)c1OC 84709759 UMQYJWLKHQZCFV-VWNXMTODSA-N 470.953 4.845 10 1 JJCF CN(C(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21)C1CCCCC1 2356474160 FZSOJXCPVWXUOY-HHHXNRCGSA-N 456.590 4.579 10 1 JJCF CC(=O)N(c1ccc(Nc2c3ccc([N+](=O)[O-])cc3nc3c(C)cccc23)cc1)S(C)(=O)=O 26842384 KCKKRVQCMJXYOT-UHFFFAOYSA-N 464.503 4.661 10 1 JJCF CCOC(=O)C(=O)c1cc(-c2ccc(C(F)(F)F)cc2)n(-c2ccc(S(C)(=O)=O)cc2)c1C 28862765 UGLGEDIICPRJSU-UHFFFAOYSA-N 479.476 4.621 10 1 JJCF CCCc1c(O)ccc2c1O[C@@](CSc1nc(C)cc(C)n1)(c1ccc(O)c(O)c1)CC2=O 587489275 BXXBBXQVJRUYGI-VWLOTQADSA-N 466.559 4.816 10 1 JJCF COc1c(Br)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1OC 587673629 OVGBFLANCQGCLS-AYVTZFPOSA-N 475.152 4.697 10 1 JJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(I)ccc2O)N1 587740949 ZFIKDNQRKLTELN-BCTVWOGZSA-N 462.100 4.522 10 1 JJCF CCN(CC)CCOc1ccc(-n2c3c(c4ccc(OC)cc4c2=O)C(=O)c2cc(OC)ccc2-3)cc1 653823143 IHOCKMJZXQKEPT-UHFFFAOYSA-N 498.579 4.940 10 1 JJCF Cc1c(C(=O)N[C@@H](C)c2ccc(O[C@@H]3CCN(c4ccc(OCC5CC5)cc4)C3)cc2)cnn1C 1772583093 GRQUGFWMMZDOES-AFMDSPMNSA-N 474.605 4.666 10 1 JJCF CCCCCNc1ncnc2c1nc(-c1ccc(N3CCCC3)cc1)n2CCCN1CCCC1=O 82186393 VLUXBKAFOLAUHA-UHFFFAOYSA-N 475.641 4.708 10 1 JJCF CC[C@@H](C)n1ncc(I)c1-c1nc2c3c(ccc2[nH]1)C(=O)c1ccccc1C3=O 587180969 KKDGGTGFXBBAKD-LLVKDONJSA-N 496.308 4.777 10 1 JJCF O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Cl)c(Cl)c1)[C@@H](c1ccccc1)OC21C(=O)c2ccccc2C1=O 3974230 SJMOHJFCZHUNAC-NJDAHSKKSA-N 492.314 4.689 10 1 JJCF investigational CC(C)(C)OC(=O)N1CCN(c2ccc([C@H]3c4ccc(F)cc4C[C@@H]4CCCN43)cc2)CC1 963107682 SMAGXNKFHQWWRK-ZCYQVOJMSA-N 451.586 4.993 10 1 JJCF COc1ccc([C@]2(c3ccccc3O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587811938 YAHBMODDESVMSM-NPMABZOXSA-N 458.327 4.834 10 1 JJCF COc1ccc(-c2ccc(CCC(=O)O)n2-c2cc3cnccc3c(Br)n2)cc1 587939386 CVAOMKLDKBIPDJ-UHFFFAOYSA-N 452.308 4.876 10 1 JJCF CC(=O)Oc1ccccc1[C@H]1CC(=O)C[C@H](c2ccccc2OC(C)=O)C12C(=O)c1ccccc1C2=O 6004506 OJGJWDFMQZPOPU-JWQCQUIFSA-N 496.515 4.833 10 1 JJCF CCc1ccc(OC[C@@]2(c3ccc(O)cc3O)N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1 962995802 OTYLIYISBKOKNJ-CPJSRVTESA-N 489.902 4.513 10 1 JJCF O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc(O)c(O)c2O)[C@H]1c1ccc(F)cc1 587349754 FVKFMOXUBOKROR-HOFKKMOUSA-N 458.441 4.951 10 1 JJCF CCCCNS(=O)(=O)c1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@@H]43)[nH]c2c1 587276554 LVWYXTPVAYCYKH-IUKKYPGJSA-N 481.578 4.684 10 1 JJCF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@](c2cnn(-c3ccc(F)cc3)c2)(c2ccc3ccccc3c2O)N1 962922276 PMHCYISVBZUSNN-WNJJXGMVSA-N 497.501 4.900 10 1 JJCF C[C@H](NC(=O)Cc1cc[nH]c1)c1ccc(O[C@@H]2CCN(c3ccc(OCC4CC4)cc3)C2)cc1 1772657565 ZZHMXLPHGHWSJW-CCLHPLFOSA-N 459.590 4.881 10 1 JJCF CC(=Cc1ccccc1)C=C1SC(=S)N(CCCC(=O)Nc2ccc(C(=O)O)cc2)C1=O 1857623732 MZEGQCZARRMPMR-UHFFFAOYSA-N 466.584 4.951 10 1 JJCF COc1ccc([C@]2(c3ccccc3O)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587805030 CWDIHOAIGQWVTF-ZLOXQWCVSA-N 458.327 4.834 10 1 JJCF Oc1ccccc1C1=C[C@@]2(c3ccsc3CCN2Cc2cccnc2)c2ccc(O)c(O)c2O1 963000096 ULUNABVDOIRDHZ-HHHXNRCGSA-N 470.550 4.995 10 1 JJCF CCC(=C/c1oc2ccc(OC)cc2[n+]1C)/C=C1/Sc2ccccc2N1CCCS(=O)(=O)O 2913661 BOFHDMZYLSGIHY-UHFFFAOYSA-O 487.623 4.791 10 3 JJCF COc1ccc(N2CCN(CC[C@@H](OC(N)=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)cc1 95574865 GJZITRVWUYLPCS-HXUWFJFHSA-N 471.907 4.716 10 1 JJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(c3ccc(O)cc3)Oc3cc(O)cc(O)c32)N1 587836510 ABOKGENWDPHSGW-FNODVLLQSA-N 484.321 4.916 10 1 JJCF O=C(COc1ccccc1)N[C@@H](c1ccccc1[N+](=O)[O-])c1cc(Cl)c2cccnc2c1O 40412047 SCOSGHHZRROAJY-QFIPXVFZSA-N 463.877 4.787 10 1 JJCF CC[C@H]1CCC2=c3c(nc(-c4ccc(-c5nc6cc(F)c([N+](=O)[O-])cc6[nH]5)cc4)[nH]c3=O)=S=C2C1 587037492 FOINDSLYRKQOBW-LBPRGKRZSA-N 489.532 4.558 10 1 JJCF Cc1ccc2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)[C@H](c1ccc(O)c(O)c1)O2 587536504 UYORTKAJNFCUFG-LBNVMWSVSA-N 456.494 4.849 10 1 JJCF C[C@@]1(c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](C(=O)O)N3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587598477 XXTDSOGINVGLKC-HOQNCTEBSA-N 469.493 4.808 10 1 JJCF Cc1cc(O)c2c(c1)C(=O)c1cccc(O)c1[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587835122 VCFBPPNVBWULPK-OIRASMEMSA-N 468.322 4.678 10 1 JJCF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@](Cc2ccc(F)cc2)(c2ccc(O)cc2O)N1 963168426 CYZZOTUAVACBDI-MBSDFSHPSA-N 495.856 4.994 10 1 JJCF O=C1c2ccc(O)cc2O[C@@](c2ccc(O)cc2)(c2ccc(O)c(O)c2O)[C@H]1c1ccc(F)cc1 587357599 USFJQHRPONYTEI-HOFKKMOUSA-N 474.440 4.656 10 1 JJCF CC1=C[C@@H]2C[C@H](C)CC[C@@H]2[C@](C)(C(O)=C2C(=O)N(C)C(CO)=C2O)[C@@H]1C=CC=CC[C@@H](C)O 2356351596 AWQOATNHYGPPIM-JEOYJESUSA-N 457.611 4.551 10 1 JJCF Oc1cc2c3c(c1)[C@H]1c4c(cc(O)cc4[C@H]3[C@H](c3ccc(O)c(O)c3)O2)O[C@@H]1c1ccc(O)c(O)c1 2356621118 PKEVBTFRDVTGPT-KXSOJQAOSA-N 484.460 4.765 10 1 JJCF CCOC(=O)Cn1c(C)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 587574888 CNLCTOWPXHKELG-RPLLCQBOSA-N 457.482 4.921 10 1 JJCF COC(=O)c1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1N1CCCCC1 587764073 BSANFZMIYSAEIC-RCDICMHDSA-N 461.375 4.989 10 1 JJCF COc1ccc2c(c1OC)[C@](c1ccccc1)(c1ccc(N3CCOCC3)cc1)N(C)[C@@H](C)C2 962625162 LQCDUQXRUFLPCM-LGGPFLRQSA-N 458.602 4.709 10 1 JJCF CC(C)(C)c1ccc(S(=O)(=O)c2cc3c(c4nsnc24)C(=O)c2ccccc2C3=O)cc1 219735647 OVZPHSWYEPYGSR-UHFFFAOYSA-N 462.552 4.597 10 1 JJCF Cc1c(O)nc(N(C)Cc2ccc(N3CCNCC3)cc2)nc1[C@@H](C)c1c(Cl)cccc1Cl 653718327 AORIMFFTLGPFIE-INIZCTEOSA-N 486.447 4.995 10 1 JJCF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587112435 JVCNKKATJZIPQI-VWLOTQADSA-N 477.442 4.757 10 1 JJCF NC(=O)C[C@H](NC(=O)Cc1cccc2ccccc12)c1ccc(N2CCCCCCC2)c([N+](=O)[O-])c1 15936217 HGCLRHGTZWIYNV-DEOSSOPVSA-N 488.588 4.794 10 3 JJCF COc1cc2c(cc1OC)[C@H](c1ccccc1O)N(c1cc(O)n(-c3ccccc3)c1O)CC2 169693093 ABZYXXSMEDOCHS-SANMLTNESA-N 458.514 4.763 10 1 JJCF COC(=O)c1c([C@H]2NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)c2ccccc2n1C 962949964 DRTVWGLPTIOXHT-NRFANRHFSA-N 458.480 4.725 10 1 JJCF Oc1ccc(Br)cc1[C@@H]1C=C(c2ccc3c(c2)OCO3)N[C@@H](c2cccc(F)c2)N1 2935192 OVQWOZGGZADSQK-WMZHIEFXSA-N 469.310 4.996 10 1 JJCF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@H]1c1c(C)cc(O)cc1O 962987380 LAIMLOUBQJEPKK-MHZLTWQESA-N 495.959 4.824 10 1 JJCF CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1cn(C[C@@H](O)CN2CCCCC2)c2ccccc12 95554361 AVGWBOLBKYZGQW-HAMGHATCSA-N 477.008 4.948 10 1 JJCF CC(C)n1cc(-c2cnc3[nH]cc(-c4cc(N(CCO)c5ccccc5Cl)nc(N)n4)c3c2)cn1 169700754 BBVZWNSMOMWGIT-UHFFFAOYSA-N 488.983 4.830 10 1 JJCF COc1cc(O)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br 587678555 ODUVMZHNUBTDPB-YYSFKGJASA-N 459.153 4.863 10 1 JJCF CCN1CCN(c2ccc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2F)CC1 587724224 GFMNBZRLXUHGKC-CMJOXMDJSA-N 464.398 4.667 10 1 JJCF Oc1ccc(C[C@@H]2CCCN2CCCCCCN2CCC[C@@H]2Cc2ccc(O)c(O)c2)cc1O 26471949 VQJOREUOQIWUDM-PSWAGMNNSA-N 468.638 4.783 10 1 JJCF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)cc2N1 587126193 XARFNHJWVSYCPD-QFYYESIMSA-N 451.408 4.509 10 1 JJCF COC(=O)[C@H](C)c1ccc(-c2ccc(O)c(CN3CCN(Cc4ccccc4)CC3)c2)c(F)c1 1857540593 RLZOMOHMBCCCKE-HXUWFJFHSA-N 462.565 4.793 10 1 JJCF O=C(O)C1CCN(c2ccc([C@@H]3c4ccccc4C[C@@H]4CN(c5ccccc5)CCN43)cc2)CC1 962635454 IAKJELITIHDZFR-XRKRLSELSA-N 467.613 4.824 10 1 JJCF Cc1cccc(O)c1[C@@H]1N[C@H](C(=O)Nc2ccc3[nH]c4ccccc4c(=O)c3c2)Cc2ccccc21 963034101 YIHFSCNGJVQNNM-LBNVMWSVSA-N 475.548 4.938 10 1 JJCF COC(=O)c1ccc(F)c(-c2cccc([C@@H]3NCCc4cnc5c(OC)cccc5c43)c2O)c1 963058397 OFXINSKNKQGTKF-VWLOTQADSA-N 458.489 4.777 10 1 JJCF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@H]3c3c(F)ccc(F)c3O)nc(Cl)nc21 963929803 XPLQMYGPGVGEFT-IBGZPJMESA-N 471.895 4.902 10 1 JJCF O=C(Cn1c2c(c3cc(F)ccc31)CCn1nccc1-2)NCc1ccc(-c2c(F)cccc2F)cn1 1857556673 CFUNSXZSXDNVHZ-UHFFFAOYSA-N 487.485 4.857 10 1 JJCF 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4.746 10 1 JJCF CC1=NN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)[C@@H](c2cc(Br)ccc2O)C1 653745708 NCLLULMXYMMBRN-OAHLLOKOSA-N 463.275 4.685 10 1 JJCF CCN(CC)CCSc1nnc(COc2ccc3c(-c4ccccc4)cc(=O)oc3c2)o1 1857599376 OOWBEXBLBUAJMU-UHFFFAOYSA-N 451.548 4.856 10 1 JJCF COc1ccc(Br)cc1[C@H]1NC(c2ccc3c(c2)OCO3)=C[C@H](c2ccccc2O)N1 2936770 WJYDXZQCIALVDS-DVECYGJZSA-N 481.346 4.866 10 1 JJCF COc1cc2c(c(Cl)c1Cl)C(=O)[C@@](CCN(C)C(C)(C)C(=O)O)(c1ccc(F)cc1)C2=O 28572034 QLULNNAKXVRCQU-QHCPKHFHSA-N 482.335 4.643 10 1 JJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCN(C)CC3)c(Br)c2)N1 587678920 PFVVJIRWNYQHTC-ASSNKEHSSA-N 497.250 4.726 10 1 JJCF C[C@]1(COc2ccc(N3CCC(Oc4ccc(Cl)cc4)CC3)cc2)Cn2cc([N+](=O)[O-])nc2O1 34086765 AKNCGQAEIOXCDV-XMMPIXPASA-N 484.940 4.723 10 1 JJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCOCC3)c(Br)c2)N1 587675471 BTXMRDIWDVKXAY-FKIZINRSSA-N 484.207 4.811 10 1 JJCF Oc1ccc2ccccc2c1[C@H](c1ccc(OCCN2CCCCC2)cc1)N1CCC(O)CC1 72181126 IVQJOBZSERFYIP-LJAQVGFWSA-N 460.618 4.956 10 1 JJCF 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4.550 10 1 JJCF O=C(c1ccco1)[C@@H]1CC(c2ccc3ccccc3c2O)=NN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 5838609 NFSSFIIBJDWFOC-NRFANRHFSA-N 472.413 4.821 10 1 JJCF CCCN(CCCCCNCCOc1ccccc1OC)[C@H]1CCc2c(ccc(O)c2O)C1 26672364 GRJSOQKEQOABRN-QFIPXVFZSA-N 456.627 4.515 10 1 JJCF CC1(C)O[C@H]2c3ccccc3C(=O)C(=O)[C@@H]2[C@@H]1Nc1ccc(Br)cc1Br 45300834 WSVMBURZMWMWQM-SNRMKQJTSA-N 479.168 4.924 10 1 JJCF Cc1nc(N2CCC(O)(C3CC3)CC2)nc2ccc(NC(=O)/C=C/c3ccc(N4CCCC4)cc3)cc12 84617368 QZVYIBGQFYUUJB-AWNIVKPZSA-N 497.643 4.932 10 1 JJCF Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](c3nc4ccccc4c4c3[nH]c3ccccc34)O2)c(O)nc1=O 299856627 CYPYTNLHSLPXKF-SVMVAKDDSA-N 453.462 4.779 10 1 JJCF Cc1ccc2c(c1)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(=O)[C@H](c1ccc(O)c(O)c1)O2 587833298 MYVNPJXZLJJIQL-KUBUTDKVSA-N 498.348 4.788 10 1 JJCF CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 586934672 CPTZVIHUNNQXNE-NRFANRHFSA-N 468.604 4.710 10 1 JJCF CC(C)=CCC1(CC=C(C)C)C(=O)C(=O)[C@H](O)[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587826308 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