smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C1/C(=C/c2ccc(OCCOc3ccccc3Cl)cc2)SC(=S)N1Cc1ccccc1 2844123 PWCKNLOPNXISMG-KQWNVCNZSA-N 482.026 6.199 10 50 JKCA Cc1ccc(OCCOc2ccc(/C=C3/SC(=S)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2)cc1 2997986 OIJAKBJHWDVIGK-HZHRSRAPSA-N 492.578 5.767 10 50 JKCA Cc1cccc(N2CCN(C3=NC(=O)/C(=C\c4ccc(OCc5ccccc5)cc4)S3)CC2)c1 9369875 OHPTUZDMSZPQPY-LGUFXXKBSA-N 469.610 5.367 10 50 JKCA COc1cccc(O)c1CN1CCC([C@H](Cc2ccccc2F)N(C)C(=O)c2cccs2)CC1 14962878 WNGZFTMVVVAESA-QHCPKHFHSA-N 482.621 5.197 10 50 JKCA O=C1N=C(O)/C(=C\c2cn(Cc3ccccc3[N+](=O)[O-])c3ccccc23)C(=O)N1Cc1ccccc1 1162179 FLWXKPSSFBYPQA-HYARGMPZSA-N 480.480 5.100 10 50 JKCA CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(Cl)c1OCCOc1cc(C)cc(C)c1 2828274 YDABNLUVUUXVNZ-STZFKDTASA-N 492.062 6.034 10 50 JKCA CCc1ccc(N2C(=O)N=C(O)/C(=C/c3cn(Cc4ccc(Cl)cc4)c4ccccc34)C2=O)cc1 8997477 AOMBUGNTVGCVSS-IWIPYMOSSA-N 483.955 6.412 10 50 JKCA O=C1/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)SC(=S)N1C1CCCCC1 16448979 FKTVRIRJYRMVAA-STZFKDTASA-N 454.573 5.708 10 50 JKCA CCOc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCCCOc1ccc([C@@H](C)CC)cc1 22257411 PIJNLKLANDJCMO-KHCKMINHSA-N 485.671 6.278 10 50 JKCA COc1ccc(CN2C(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)SC2=S)cc1 2960755 OQEPFHBPDVNIIY-JAIQZWGSSA-N 476.406 6.663 10 50 JKCA CN1C(=O)/C(=C/c2cc(Cl)cc(Cl)c2OCCCOc2ccccc2Cl)SC1=S 3000557 NQEWQQTVWNTZRT-YVLHZVERSA-N 488.845 6.326 10 50 JKCA CCCC[C@H](CC)CN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)SC1=S 12614411 UUPYQEAUWSMSDV-JWGRYVKWSA-N 493.673 7.096 10 50 JKCA CCCCC1=NN2C(=N)/C(=C/c3ccc(OCc4ccc(F)cc4)c(OC)c3)C(=O)N=C2S1 15855880 OXUIRMZEOTZCNG-QLSUFNALSA-N 466.538 5.223 10 50 JKCA O=C1Nc2ccc(Br)cc2/C1=C1/SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O 1781251 QCBAUWDFASTGEW-YPKPFQOOSA-N 485.306 5.196 10 50 JKCA COc1ccc(/C=C2/C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C(=O)N=C2O)cc1OC 15799476 WDVOJYNZMRIVHX-DEDYPNTBSA-N 492.915 5.443 10 50 JKCA CCOc1cc(/C=C2/C(=O)N(c3ccc(OC)cc3)C(=O)N=C2O)ccc1OCc1cccc(F)c1 15837328 QIWXNWBUXYHEOH-HYARGMPZSA-N 490.487 5.319 10 50 JKCA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCC)C2=O)cc1 2208584 ARVQNUSBTIZJKB-JWGURIENSA-N 463.628 5.939 10 50 JKCA CCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC)cc2C)SC1=S 2368743 RXQTVYOELJOQNH-JCMHNJIXSA-N 463.628 5.858 10 50 JKCA O=C1/C(=C/c2ccccc2OS(=O)(=O)c2ccccc2)SC(=S)N1c1cccc(Cl)c1 3001783 ZQWWNNSYERKEFX-MOSHPQCFSA-N 488.011 5.514 10 50 JKCA CCOc1ccc(C2=C(/C=C3\SC(=S)NC3=O)[C@@H](c3ccccc3C)c3ccccc3O2)cc1 13633052 ZIHVWNFQRPSWJN-NHOMFQCRSA-N 485.630 6.361 10 50 JKCA CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCCCC3)=NC2=O)cc1C 19912690 QEOAAAZUGAPILA-ULJHMMPZSA-N 472.614 5.703 10 50 JKCA O=C(O)c1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2ccccc2F)N3)cc1 43773498 CTTOGPAAVKCXEG-IMWIBFENSA-N 464.518 5.151 10 50 JKCA O=C(COC(=O)c1ccc2c3c1[C@@H]1C=CC[C@@H]1CN3C[C@@H]1CC=C[C@H]21)c1ccc(Br)cc1 239377487 OAFNLWWUNWOWLQ-IZZBFERCSA-N 490.397 5.642 10 50 JKCA CC1(C)C[C@H](NC2CCN(c3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3)CC2)CCO1 15001281 JSXRHAQZEGVUMB-JOCHJYFZSA-N 475.555 5.474 10 50 JKCA CCCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)SC1=S 25581290 ATOALZZVUJGDPX-RCCKNPSSSA-N 478.599 5.839 10 50 JKCA CCOc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)ccc1O[C@H](C)c1ccccc1 16193029 VOQMVYZVONGZHF-GIKSKMNSSA-N 479.598 6.770 10 50 JKCA Cc1cccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Br)cc4)o3)SC2=S)c1 26687742 WUWPLNLIXNYUMY-XDHOZWIPSA-N 456.386 6.423 10 50 JKCA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCCCCC3)=NC2=O)cc1 27017185 VIJHGIRMTJVJOT-PLRJNAJWSA-N 486.641 6.174 10 50 JKCA CCc1ccc(-c2c3c(c(-c4ccccc4)n2-c2ccccc2N)C(=O)c2ccccc2C3=O)cc1 2059444 MJSQHLBJZRGRBQ-UHFFFAOYSA-N 468.556 6.731 10 50 JKCA O=C1/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(O)=NC(=S)N1c1cc(Cl)cc(Cl)c1 2813997 KOAGWAFGZQMLHD-YVLHZVERSA-N 488.308 5.833 10 50 JKCA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCC(=O)O)C2=O)cc1 9065508 JTJOMIJHKIVFRI-QNGOZBTKSA-N 493.610 5.004 10 50 JKCA CC(C)C1=NN2C(=N)/C(=C\c3ccccc3OCCCOc3ccccc3Cl)C(=O)N=C2S1 12382050 IZSZGKSROZIMFI-GTZRGHBHSA-N 482.993 5.463 10 50 JKCA O=C(Oc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1Cl)c1ccco1 1122474 PACWRDZRLGLFTG-UNOMPAQXSA-N 455.944 5.554 10 50 JKCA COc1ccc(C(=O)Oc2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)cc2Cl)cc1 16247103 YEAVYZCBYLDZCD-STZFKDTASA-N 481.982 5.974 10 50 JKCA CCOc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Cl)c1OCCOc1cc(C)ccc1C 19798582 RVVBGDXBTHKBQR-MOSHPQCFSA-N 478.035 5.644 10 50 JKCA CCOc1cc(/C=C2\SC(=S)NC2=O)ccc1OCCOc1ccccc1[C@@H](C)CC 22229170 NBFPDTPSLDIJBF-AABCQZNVSA-N 457.617 5.545 10 50 JKCA COc1ccccc1OCCCOc1cccc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)c1 16192993 LCOGTRNZGGVLIB-BWAHOGKJSA-N 491.634 6.257 10 50 JKCA CCCCc1ccc(-c2c3c(c(-c4ccccc4)n2-c2ccc(N)cc2)C(=O)c2ccccc2C3=O)cc1 2742095 JFWLDMTUHPGSDJ-UHFFFAOYSA-N 496.610 7.512 10 50 JKCA Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(O)c(Sc2nc3ccccc3s2)c1 8859956 MMLXVXAUESSNDC-UHFFFAOYSA-N 473.557 5.171 10 50 JKCA O=C(O)c1cc(-c2ccc(/C=C3/SC(=S)N(c4ccc([N+](=O)[O-])cc4)C3=O)o2)ccc1Cl 9310390 JGPULDZBVSGRNT-VCHYOVAHSA-N 486.914 5.612 10 50 JKCA CN(C)c1ccc(/C=C/c2nc3ccc(I)cc3c(=O)n2-c2ccccc2)cc1 9460948 ILQZEWYFTUKSRG-XNTDXEJSSA-N 493.348 5.227 10 50 JKCA CCC1=NN2C(=N)/C(=C\c3ccc(OCCSc4ccc(C)cc4)c(OC)c3)C(=O)N=C2S1 16182952 KJBZYRJYKXOCSF-RIHJCCTQSA-N 480.615 5.204 10 50 JKCA CC[C@H]1CCCCN1Cc1c(O)ccc2c(=O)c(-c3ccc(OC)c(OC)c3)c(C(F)(F)F)oc12 4283340 BFGIHWNLHQPMKH-INIZCTEOSA-N 491.506 5.966 10 50 JKCA biogenic CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCOC)C2=O)cc1C 19833479 RWMCHTFKBIRQPX-XQNSMLJCSA-N 493.654 5.484 10 50 JKCA CN(C)c1ccc([C@@H]2C3=C(N=C4NC=NN42)c2cc(Cl)ccc2O[C@H]3c2ccc(Cl)cc2)cc1 25577982 HHRBSXWNMOTCSX-RPBOFIJWSA-N 490.394 5.864 10 50 JKCA CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(Br)ccc1OCc1cccc(F)c1 14009222 BVZBLFPGNVFWIQ-HMAPJEAMSA-N 465.322 5.973 10 50 JKCA CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)ccc1OCCCOc1ccc(OC)cc1 22257768 NLCZMXMQQGJTGV-CJLVFECKSA-N 473.616 5.163 10 50 JKCA Oc1ccc(Br)cc1[C@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 25579396 GJJCJUAAIXWKPV-SIKLNZKXSA-N 490.184 6.704 10 50 JKCA CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCCOC)C2=O)c(C)c1 1857578 SJYFAZYLDIKSNE-KQWNVCNZSA-N 493.654 5.484 10 50 JKCA COc1ccc(C2=NN(C(=O)c3ccccc3)[C@@H](c3ccc(Br)cc3)C2)c(O)c1 9191910 FQMXDTFFQHYOFE-OAQYLSRUSA-N 451.320 5.155 10 50 JKCA CCOc1cccc(CN2CCC([C@@H](Cc3ccccc3Cl)N(C)C(=O)c3ccco3)CC2)c1O 14979712 KDNXAJJNAUXEQX-XMMPIXPASA-N 497.035 5.633 10 50 JKCA CN(C)c1ccc(CN2CCC(c3nnc(SC[C@@H]4CCCO4)n3Cc3ccccc3)CC2)cc1 14995946 RPKQOMLTTMUAEO-SANMLTNESA-N 491.705 5.043 10 50 JKCA COc1cc(-c2cc(C)c3c(OC)ccc(OC)c3n2)cc2c1OCCN(Cc1ccccc1O)C2 20472138 DCDCTBJNWMGETD-UHFFFAOYSA-N 486.568 5.336 10 50 JKCA O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC(=S)N1CCCc1ccccc1 1133474 TYMMAHOFXZIXNA-QNGOZBTKSA-N 450.541 5.689 10 50 JKCA CCOC(=O)c1cc(-c2ccc(/C=C3/C(=O)N(c4ccc(C(=O)O)cc4)N=C3C)o2)ccc1Cl 8781052 XBQCTMFKHJVUSM-CPNJWEJPSA-N 478.888 5.281 10 50 JKCA COc1ccc(C2=NN3[C@H](c4cc(Br)ccc4O)Oc4ccccc4[C@H]3C2)cc1OC 239433067 XEFWSPCECPMBCB-DVECYGJZSA-N 481.346 5.414 10 50 JKCA CC(C)CN(Cc1c(O)ccc2c(=O)c(Oc3ccc(Cl)cc3)c(C(F)(F)F)oc12)CC(C)C 1791593 NYAJAZXQDDIHJP-UHFFFAOYSA-N 497.941 7.077 10 50 JKCA Cc1ccc(CN2C(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(C)cc3)SC2=S)cc1 9428023 JMUNPFSZQDIFNM-XYGWBWBKSA-N 481.646 6.558 10 50 JKCA O=C1CC[C@@H]2CN(Cc3ccccc3O)CC[C@@H]2N1CCC(c1ccccc1)c1ccccc1 12331813 DTNLRQDVJADTTF-NAKRPHOHSA-N 454.614 5.427 10 50 JKCA Cc1ccc(/C=C2\SC(=S)N(CCC(=O)N(Cc3ccccc3)C(C)(C)C)C2=O)cc1 13800642 NXJSAHMIWOFYPE-PGMHBOJBSA-N 452.645 5.414 10 50 JKCA Cc1ccc(OCCCOc2ccc(/C=C3/C(=O)N(Cc4ccccc4)C(=O)N=C3O)cc2)cc1 16193467 PRGSAAUOMQBULL-XIEYBQDHSA-N 470.525 5.345 10 50 JKCA N=C1/C(=C/c2ccc(OCCOc3ccccc3Cl)cc2)C(=O)N=C2SC(c3ccco3)=NN12 16212476 UZQNURWKUXPTMY-WHTRWQNMSA-N 492.944 5.058 10 50 JKCA CC(C)[C@@H](c1ccc(OCc2ccccc2)cc1)[C@H](N=[N+]=[N-])C(=O)N1C(=O)OC[C@@H]1c1ccccc1 104148037 WVQCXVSNJIDWQJ-ZNZIZOMTSA-N 484.556 6.404 10 50 JKCA O=C1/C(=C/c2ccc(N3CCCCC3)o2)C(O)=NC(=S)N1c1cccc(Cl)c1Cl 1186592 NTNHDRHOJBNCBK-ACCUITESSA-N 450.347 5.248 10 50 JKCA Cc1cc(/C=C2\SC(=S)N(CCCc3ccccc3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 2812722 FOBXHKDMUOUZKS-KQWNVCNZSA-N 477.611 5.836 10 50 JKCA CCc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccccc3Br)C2=O)cc1 2976933 VDMFMOYIEDDPQC-XMHGGMMESA-N 489.460 5.632 10 50 JKCA CCCCC1(CC(=O)Nc2c(C)cccc2C)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O 9374754 ZVDRJKVPPKKWSC-UHFFFAOYSA-N 469.585 5.804 10 50 JKCA CN(C1=NC(=O)/C(=C2/C(=O)N(Cc3ccccc3)c3ccccc32)S1)c1ccc(Cl)cc1 15016789 RNUBVANTXMUZOO-DQRAZIAOSA-N 459.958 5.364 10 50 JKCA COc1ccccc1OCCCOc1ccc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc1 16193418 UJTHVYBKEVSYHZ-BWAHOGKJSA-N 491.634 6.257 10 50 JKCA COc1ccc(C2=NN3[C@H](c4ccccc4O)Oc4ccc(Br)cc4[C@H]3C2)cc1 239402524 QTJLUVSQPXYBGQ-OFNKIYASSA-N 451.320 5.406 10 50 JKCA COc1cc(/C=C2/C(=N)N3N=C(c4cccs4)SC3=NC2=O)ccc1OCc1ccc(F)cc1 16225229 JZZQSAPQZGJZDT-XSBGCYDXSA-N 492.557 5.142 10 50 JKCA COc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1OCc1ccccc1 2674237 CVJJLGIMAXIKEI-ULJHMMPZSA-N 461.608 5.718 10 50 JKCA CCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(C)c(F)c2)SC1=S 16805370 CQMAKJXGWAZGAJ-JCMHNJIXSA-N 465.619 6.378 10 50 JKCA Cc1cc(C(=O)[C@@H](C)OC(=O)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)c(C)n1-c1ccc(OC(F)F)cc1 221960022 QIVYVVSGNWYKNP-FRLZLCISSA-N 487.543 5.141 10 50 JKCA COc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1OCc1ccc(F)cc1 15010743 NPHFKIPIAQKUCL-JLPGSUDCSA-N 479.598 5.857 10 50 JKCA COc1ccc(/C=C/C(=O)Oc2ccc(/C=C3\SC(=S)N(Cc4ccco4)C3=O)cc2)cc1 16115472 WJSTVZQDEVOHNU-AMZDHWMSSA-N 477.563 5.308 10 50 JKCA CCCc1ccc(-c2c3c(c(-c4ccccc4)n2-c2ccccc2N)C(=O)c2ccccc2C3=O)cc1 2267661 ILGUNOJPYGQHSJ-UHFFFAOYSA-N 482.583 7.121 10 50 JKCA CCN1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccccc2Cl)SC1=S 9296444 FSOJUVRWLRQQLQ-LICLKQGHSA-N 468.825 5.903 10 50 JKCA CCCCC[C@@H]1CCN2c3c1cc(C(=O)O)cc3[C@@H]1C=CC[C@H]1[C@H]2c1ccc(Br)cc1 248198380 SATVLVYEJAZVPV-XEWJDLBKSA-N 480.446 7.436 10 50 JKCA biogenic COc1ccc(OCCCOc2ccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)cc2)cc1 15857272 OGYXKHFXUHJKLT-HKOYGPOVSA-N 477.607 5.949 10 50 JKCA Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)cc(Cl)c2O[C@@H]3c2cc(Cl)ccc2O)cc1 25558621 AOXNHDAMKHFIOZ-NFBKMPQASA-N 459.760 6.903 10 50 JKCA CCCOC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2 226980351 CSMNOQHFKOPPHU-VHFRWLAGSA-N 487.983 6.953 10 50 JKCA O=C(C(=O)c1ccc2c(c1)-c1cccc3c(C(=O)C(=O)c4ccccc4)ccc-2c13)c1ccccc1 2896738 KISFYETXGJGLDZ-UHFFFAOYSA-N 466.492 6.618 10 50 JKCA COc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Br)c1OCCOc1ccccc1C 2966178 PQMKVAHOESRREO-LDADJPATSA-N 494.432 5.055 10 50 JKCA COc1ccc(-c2c(C(F)(F)F)oc3c(CN4CCCC[C@H]4C)c(O)ccc3c2=O)cc1OC 6148667 CCNHMLGJOMBNLK-CQSZACIVSA-N 477.479 5.576 10 50 JKCA biogenic COc1ccc(CN(C)Cc2nnc(SCc3ccccc3C)n2-c2cccc(Cl)c2)c(O)c1 12243834 XSDSFSPRDVSGPI-UHFFFAOYSA-N 495.048 5.868 10 50 JKCA CCOc1cc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)ccc1OCc1ccccc1F 16115986 LEIFZGBMYDOPET-ADZLKVMLSA-N 480.565 5.469 10 50 JKCA COc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OC(=O)c1ccc(Cl)cc1 16193268 NKMJLNFFSNVUQB-BKUYFWCQSA-N 499.972 6.113 10 50 JKCA CN(C)Cc1c(O)ccc2c(=O)c(Oc3ccc(Br)cc3)c(C(F)(F)F)oc12 19901817 NLIFPGSEYGMOOT-UHFFFAOYSA-N 458.230 5.134 10 50 JKCA O=C1N=C(O)/C(=C\c2cc(Cl)ccc2OCc2ccc(F)cc2)C(=O)N1c1ccc([N+](=O)[O-])cc1 16156364 KFDPHHYSTUFYGC-UDWIEESQSA-N 495.850 5.473 10 50 JKCA COc1cc(/C=C2/C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)ccc1OCc1ccccc1 8493196 TZICEFWSPZESQH-WTPQPOPRSA-N 482.565 5.250 10 50 JKCA Cc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3ncc(Cc4ccc(C)cc4)s3)C2=O)cc1 8671875 LCCHWHVPTKYCNL-UDWIEESQSA-N 479.652 5.191 10 50 JKCA Nc1ccc(-n2c(-c3ccccc3)c3c(c2-c2ccc(Cl)cc2)C(=O)c2ccccc2C3=O)cc1 8951255 ZQFZEDNNXITLOW-UHFFFAOYSA-N 474.947 6.822 10 50 JKCA Oc1ccccc1C1=Nn2c(CCN3c4ccccc4Sc4ccccc43)nnc2SC1 45068356 VEOZKARIOFNNJI-UHFFFAOYSA-N 457.584 5.187 10 50 JKCA COc1ccc(Cl)cc1-n1c(C)cc(/C=C2/C(=O)N(c3cccc(F)c3)C(=S)N=C2O)c1C 1163250 LHTWKIYZVIKRLL-VXLYETTFSA-N 483.952 5.567 10 50 JKCA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCCCC3)=NC2=O)cc1C 19800569 AKOSWMZFEVKTBH-BWAHOGKJSA-N 486.641 6.093 10 50 JKCA O=C1/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(O)=NC(=S)N1c1cccc(Cl)c1Cl 1186422 JQIZWPJVGKYBAX-RAXLEYEMSA-N 488.308 5.833 10 50 JKCA COc1ccc(S(=O)(=O)Nc2cc(Sc3cccc4cccnc34)c(O)c3ccccc23)cc1 2685385 SBNNJXVXPSWMND-UHFFFAOYSA-N 488.590 6.054 10 50 JKCA CC[C@@H](C1=NN2C(=N)/C(=C\c3ccc(OC(=O)c4ccco4)cc3)C(=O)N=C2S1)c1ccccc1 8411364 QVLYTRIHBCJEHQ-AWHISCMCSA-N 484.537 5.312 10 50 JKCA COc1ccccc1C(=O)Nc1cccc(N2CCC(N[C@@H](C)c3csc(C)n3)CC2)c1 12244348 KPEIJGXEAMXAGB-KRWDZBQOSA-N 450.608 5.032 10 50 JKCA O=C1/C(=C/c2cc(Cl)cc(Cl)c2O)C(O)=NC(=S)N1c1ccc(Cl)cc1Cl 1197192 OSOUDZJOGKOIDZ-ONNFQVAWSA-N 462.141 5.677 10 50 JKCA COc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 14165951 ZVWNMHXVFZPFQG-FUMQJTLXSA-N 466.990 5.976 10 50 JKCA Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)cc1F 16730099 KFRFCMGBXVIYQH-LIAPLOTISA-N 499.636 6.949 10 50 JKCA CC(C)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)SC1=S 2672944 YBCSWDFPYOEWPR-NDENLUEZSA-N 464.572 5.305 10 50 JKCA O=C(NCCC(c1ccccc1)c1ccccc1)[C@@H]1CC12CCN(Cc1ccccc1O)CC2 12165601 QLOOEEVVRRZYPE-MHZLTWQESA-N 454.614 5.333 10 50 JKCA Cc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1C(F)(F)F)N2 35354362 NYAXZRRLPZAONS-XMERXJNXSA-N 498.570 6.950 10 50 JKCA O=C(O)c1ccc(N2N=C(Cc3ccccc3)/C(=C\c3ccc(-c4ccccc4F)o3)C2=O)cc1 207077471 IZPMWFSVTDOCDI-HAVVHWLPSA-N 466.468 5.813 10 50 JKCA in-vitro N=C1/C(=C/c2cccc(OCc3ccc(F)cc3)c2)C(=O)N=C2SC(c3ccccc3)=NN12 7018037 KNOFXDBMWOJQPG-CVQSDPGXSA-N 456.502 5.072 10 50 JKCA COc1ccccc1OCCCOc1c(Cl)cc(Cl)cc1/C=C1\SC(=S)NC1=O 22309725 PZYZKDODXNNBHM-YVLHZVERSA-N 470.399 5.339 10 50 JKCA O=C1/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(O)=NC(=S)N1c1cc(Cl)cc(Cl)c1 1178882 QJRGGNRLJLSARJ-YVLHZVERSA-N 488.308 5.833 10 50 JKCA COc1ccc(C2=C(/C=C3\SC(S)=NC3=O)[C@H](c3ccccc3)c3ccccc3O2)cc1OC 1745907 SQRVYQAWBZXHPY-GBQPJDALSA-N 487.602 6.083 10 50 JKCA CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@@H](C)CC)C2=O)cc1 13646677 XVCGQDGSYJEWGT-ODHYRZOZSA-N 491.682 6.718 10 50 JKCA Cc1cc(C)cc(OCCOc2ccc(Br)cc2/C=C2\SC(=S)NC2=O)c1 15800511 BNSDCOOTMJUWPP-WQRHYEAKSA-N 464.406 5.013 10 50 JKCA CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1 12412770 QMRZCFOVKCCFKU-BOPFTXTBSA-N 474.822 6.123 10 50 JKCA COc1cccc(/C=C2/SC(=S)NC2=O)c1OCCCOc1cc(C)ccc1C(C)C 2878425 MVZJCLPWBBUSIR-KGENOOAVSA-N 457.617 5.464 10 50 JKCA O=C1/C(=C\c2ccc(-c3ccccc3OC(F)(F)F)o2)SC(=S)N1Cc1ccccc1 9310242 SMRXEFBZSJWKSW-XDHOZWIPSA-N 461.486 6.247 10 50 JKCA CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccccc3C(F)(F)F)C2=O)cc1 12436437 BEGDJOYGJWEYLZ-RGEXLXHISA-N 478.561 5.888 10 50 JKCA Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1C1CCCCC1 12466752 DNQWOSAGVNTNRI-SFQUDFHCSA-N 460.361 5.583 10 50 JKCA C[C@H]1CN(Cc2c(O)ccc3c(=O)c(-c4cccc5ccccc45)c(C(F)(F)F)oc23)C[C@@H](C)O1 13534404 HESWFMURDPMTQJ-IYBDPMFKSA-N 483.486 5.947 10 50 JKCA biogenic CCOc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OC(=O)c1ccccc1 16247835 FJDMLIHOEVXJMA-BZXCCTPPSA-N 495.560 5.609 10 50 JKCA COc1ccc(/C=C/C(=O)Oc2ccc(/C=C3\SC(=S)N(CC(C)C)C3=O)cc2OC)cc1 1152369 WJRXZKYEXVGKEI-SFXXWVNYSA-N 483.611 5.180 10 50 JKCA CC1CCN(Cc2c(O)ccc3c(=O)c(-c4cccc(Cl)c4)c(C(F)(F)F)oc23)CC1 1747723 WFCKOHHUSPUVIV-UHFFFAOYSA-N 451.872 6.070 10 50 JKCA CCOC(=O)c1ccc(N2N=C(C(F)(F)F)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)cc1 6492067 XQDPRNRUPGCMDO-UYRXBGFRSA-N 499.401 5.380 10 50 JKCA O=C1c2ccccc2C(=O)c2c(OC(=O)[C@@H]3[C@H]4CCCC[C@H]43)ccc(OC(=O)[C@@H]3[C@H]4CCCC[C@H]43)c21 239302919 FUPVOQPJVDTFCY-CAGQATRXSA-N 484.548 5.145 10 50 JKCA CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C(C)C)C2=O)cc1 2195041 WBHQYBNRILOERR-UCQKPKSFSA-N 477.655 6.184 10 50 JKCA CCCC[C@H](CC)CN1C(=O)/C(=C2/C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)SC1=S 2672154 YJODSTZKMJCQRM-ANZZGNCFSA-N 499.101 6.675 10 50 JKCA O=S(=O)(Nc1cc(-c2c(O)ccc3ccccc23)c(O)c2ccccc12)c1cccc2ccccc12 2841314 JAJATDYHWUEIKO-UHFFFAOYSA-N 491.568 7.025 10 50 JKCA CCOc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCCOc1ccc(C(C)(C)C)cc1 2961176 PDANYWBDRHKKII-CJLVFECKSA-N 471.644 5.672 10 50 JKCA COc1ccc(I)cc1[C@@H](Nc1cc(C)ccn1)c1ccc2cccnc2c1O 15016935 YQJGBQOMQJPUMF-QFIPXVFZSA-N 497.336 5.459 10 50 JKCA CN(C)c1ccc(-c2nc3cc(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)ccc3o2)cc1 1212135 LWDLPKPZKUDKSF-UHFFFAOYSA-N 468.469 5.981 10 50 JKCA COc1cccc(OCCOc2ccccc2/C=C2/SC(=S)N(c3ccccc3)C2=O)c1 2967051 CMVKVEQJWGOBQD-XQNSMLJCSA-N 463.580 5.559 10 50 JKCA O=C1N=C(O)/C(=C\c2ccc(OCc3cccc(F)c3)c(Cl)c2)C(=O)N1c1cccc([N+](=O)[O-])c1 3002970 OHROWFADXBEGGY-VXLYETTFSA-N 495.850 5.473 10 50 JKCA O=C(O)c1cc(N2N=C(C(F)(F)F)/C(=C/c3ccc(-c4ccccc4)o3)C2=O)ccc1Cl 12376979 RSLFQCNAOMQAIH-WJDWOHSUSA-N 460.795 5.647 10 50 JKCA CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/c1c(C)nn(-c2cccc(Cl)c2)c1O 16667543 VFXAMSAGFCQISC-WOJGMQOQSA-N 471.742 5.108 10 50 JKCA O=C1/C(=C/c2ccccc2)SC(=S)N1CCCC(=O)N1c2ccccc2Sc2ccccc21 1798884 SFNJNCMRAWNCLF-QJOMJCCJSA-N 488.659 6.498 10 50 JKCA CCOC(=O)c1ccc(N2N=C(C(F)(F)F)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)cc1 6492064 GBQTYFLJCDLZFB-UYRXBGFRSA-N 499.401 5.380 10 50 JKCA O=C1/C(=C/c2ccc(OCCOc3ccc([N+](=O)[O-])cc3)cc2)SC(=S)N1c1ccccc1 2994200 CWBYKGZZXPTOFX-JWGURIENSA-N 478.551 5.458 10 50 JKCA COc1ccc(OCCCOc2cccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)c2)cc1 15857149 ZZRIJWHPZIZDKN-HKOYGPOVSA-N 477.607 5.949 10 50 JKCA COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCc1cccc(C)c1 16192759 CFQWFARLPAIORD-IWIPYMOSSA-N 461.608 6.297 10 50 JKCA Cc1ccc(N2C(=O)/C(=C/c3cc([N+](=O)[O-])cc(Br)c3O)SC2=S)c(C)c1 16284801 RUHRGJMWINLPBH-CHHVJCJISA-N 465.350 5.086 10 50 JKCA Cc1ccc(N2C(=O)/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C(O)=NC2=S)c(C)c1 13067947 XXHRBJFOKNXNLE-XDHOZWIPSA-N 474.498 5.071 10 50 JKCA COc1ccc(O)c(CN2CCC[C@@H](c3nc(-c4ccncc4)ncc3-c3ccccc3)C2)c1 14881809 ODYRJXNQBAWDLB-JOCHJYFZSA-N 452.558 5.299 10 50 JKCA COc1ccc2c(c1)S[C@@H](c1ccc3c(c1)OCO3)CCN2Cc1ccc2ncccc2c1 14989793 HSPUWLTUBCUDQF-AREMUKBSSA-N 456.567 6.216 10 50 JKCA COc1ccc(O)c(CN2CCC([C@@H](Cc3ccccc3F)N(C)C(=O)c3ccsc3)CC2)c1 14994976 RRFNPZLFKFJLRK-RUZDIDTESA-N 482.621 5.197 10 50 JKCA CC(C)c1ccc(/C=C2\SC(=S)N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc1 16676487 QRJQZTZDEJYPIG-ZDLGFXPLSA-N 464.534 5.669 10 50 JKCA Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N([C@H](C)c3ccccc3)C2=O)cc1 33904412 TVCJHWHAJJNBQA-GGVNPZCGSA-N 481.646 6.810 10 50 JKCA O=C(Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2)c1ccc(Cl)cc1Cl 101700013 PSKHPKXSJDHLJA-IECBHUPTSA-N 480.351 6.980 10 50 JKCA COc1cccc(-c2cnc(-c3ccncc3)nc2C2CCN(Cc3ccc(OC)cc3O)CC2)c1 14991029 SIXSLFUDSLVOIK-UHFFFAOYSA-N 482.584 5.308 10 50 JKCA CCOc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OC(=O)c1ccco1 16247624 UHQYVNGMNSSYOX-NDENLUEZSA-N 485.970 5.957 10 50 JKCA O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1cccc(Cl)c1Cl 1181631 LOAKIDKALKLZPG-GDNBJRDFSA-N 471.818 5.877 10 50 JKCA COc1cc(/C=C2/C(=O)N(c3ccccc3C)C(=O)N=C2O)cc(Cl)c1OCc1ccccc1 1182440 LFYNTYLVBVXWHD-XDHOZWIPSA-N 476.916 5.743 10 50 JKCA COc1ccc2c(c1)c(=O)oc1c(C)c(OCC(=O)c3ccc(-c4ccccc4)cc3)ccc12 2258302 RQJRZJQZEYRFNU-UHFFFAOYSA-N 450.490 6.192 10 50 JKCA CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC(C)C)C2=O)cc1 2377762 VBRBUISHYRMCLX-OYKKKHCWSA-N 491.682 6.431 10 50 JKCA COc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Cl)c1OCCCOc1ccc(C)cc1C 2874068 SSRSJYCFEMVSNY-DEDYPNTBSA-N 478.035 5.644 10 50 JKCA CCc1cc2c(=O)c(-c3ccc(F)cc3)c(C)oc2c([C@H](c2ccccc2)N2CCCCC2)c1O 2891971 SIPCEFCRLCFFOL-MHZLTWQESA-N 471.572 6.751 10 50 JKCA CCN1C(=O)/C(=C\c2cccc(OC)c2OCCCOc2cc(C)cc(C)c2)SC1=S 6470633 JQZHDUWGJVBLRP-RCCKNPSSSA-N 457.617 5.381 10 50 JKCA CCOc1cc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)ccc1OCc1cccc(Cl)c1 9295930 QXONISZXPROKOL-QRVIBDJDSA-N 497.041 6.114 10 50 JKCA COc1ccc(N2CCN(C(=O)c3ccc(-c4ccc(Cl)cc4Cl)o3)CC2)c([N+](=O)[O-])c1 16215627 GBJAVCNCCNPWIQ-UHFFFAOYSA-N 476.316 5.133 10 50 JKCA CCCCC1(CC(=O)Nc2ccc([N+](=O)[O-])cc2)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O 16637724 SNQDDGNKIXKVQI-UHFFFAOYSA-N 486.528 5.095 10 50 JKCA COc1ccc(N2CCN(C(=O)c3cc(-c4ccccc4C)nc4c(Cl)cccc34)CC2)cc1 20419084 GSUCGQMGXWCCDY-UHFFFAOYSA-N 471.988 5.835 10 50 JKCA CCN1C(=O)/C(=C/c2cc(Br)ccc2OCCOc2cc(C)ccc2C)SC1=S 2864057 HYTVCHYYANABCW-MOSHPQCFSA-N 492.460 5.745 10 50 JKCA CCCCCCN1C(=O)/C(=C\c2c(N(C)C3CCCCC3)nc3ccccn3c2=O)SC1=S 39943854 JARHVALDQGSGQH-LVZFUZTISA-N 484.691 5.245 10 50 JKCA O=C(COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2)c1ccc(Cl)cc1 101406628 XPEPMBPPFRKPAJ-UFPGJGBJSA-N 488.927 6.114 10 50 JKCA CN(C)c1ccc(C(=C(c2ccccc2)c2ccc(Br)cc2)c2ccc(N(C)C)cc2)cc1 1848350093 CMINGHZWIUHIMO-UHFFFAOYSA-N 497.480 7.589 10 50 JKCA CCOC(=O)c1[nH]c2ccc(OC)cc2c1N=NN1CCN(C(c2ccccc2)c2ccccc2)CC1 252678920 HQKLNWNFPBAZAE-UHFFFAOYSA-N 497.599 5.759 10 50 JKCA CC[C@@H](C)c1ccc(OCCOc2ccc(/C=C3/SC(=S)N(C)C3=O)cc2OC)cc1 2966959 XESILPIOOHAHMN-QFNCUCFLSA-N 457.617 5.498 10 50 JKCA Cc1cc(/C=C2/C(=N)N3N=C(SCc4ccccc4)SC3=NC2=O)c(C)n1-c1ccccc1 16213360 FHPMCXKQOMHWKP-TUKHXMGSSA-N 471.611 5.604 10 50 JKCA O=C1N=C(N2CCCCCC2)S/C1=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21 1115676 YVJPFLWOKBOHGQ-MRCUWXFGSA-N 451.979 5.103 10 50 JKCA O=c1c(-c2ccc(Cl)cc2)c(C(F)(F)F)oc2c(CN3CCCCCC3)c(O)ccc12 1747682 TUCBYRCYOYLPIO-UHFFFAOYSA-N 451.872 6.214 10 50 JKCA biogenic COc1ccc(/C=C2/C(=O)N(c3nc4ccccc4s3)N=C2CSc2ccc(Cl)cc2)cc1 8687289 ZEYXCCSWBFPEMV-XSFVSMFZSA-N 492.025 6.537 10 50 JKCA COc1ccc(CN2CCC(C(=O)Nc3ccc(Oc4ccccc4F)cc3)CC2)c(O)c1 12718421 VKWYALOYDNUGQI-UHFFFAOYSA-N 450.510 5.183 10 50 JKCA COc1ccccc1OCCCOc1cccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c1 15857226 VEXYNHDDTUVJFB-HKOYGPOVSA-N 477.607 5.949 10 50 JKCA Oc1c(Cl)cc(Cl)cc1[C@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3ccccc3)=NN21 25559502 ASRBWMHHDHHJKG-SIKLNZKXSA-N 490.184 6.704 10 50 JKCA Cc1c(C)c2cc(Cl)c(O)c(CN3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@@H]56)[C@@H]43)c2oc1=O 886025632 OCXCAPFXXCGSEJ-CVKIWWORSA-N 469.025 5.164 10 50 JKCA Cc1cc(/C=C2/C(=O)N(c3cccc(Cl)c3)C(=S)N=C2O)c(C)n1-c1ccc([N+](=O)[O-])cc1 16676216 HSQYOVWDMFFJED-RGVLZGJSSA-N 480.933 5.327 10 50 JKCA O=C(Oc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2)c1ccc(Cl)cc1Cl 101893330 SASCEZBLHNCZMR-IECBHUPTSA-N 481.335 6.947 10 50 JKCA Cc1ccc(S(=O)(=O)Nc2cc(Sc3nc4ccccc4s3)c(O)c3ccccc23)cc1 1896466 LHDQFMROQNZOBB-UHFFFAOYSA-N 478.620 6.416 10 50 JKCA CCN(CC)c1ccc([C@H]2Nc3ccc(Br)cc3-c3nnc(SC)nc3O2)cc1 2086915 GGXLXWMVJWOMBF-IBGZPJMESA-N 472.412 5.372 10 50 JKCA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC)C2=O)cc1F 2508712 WVAUKVGMADRJQX-STZFKDTASA-N 467.591 5.688 10 50 JKCA COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)SC2=S)cc1 6645251 RMABOSXGNHJXSS-YBFXNURJSA-N 471.943 5.713 10 50 JKCA COc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Br)c1OCCCOc1ccccc1 15856272 JTRBDMNTLVERQL-QGOAFFKASA-N 494.432 5.137 10 50 JKCA Oc1ccc(Br)cc1[C@H]1Oc2ccc(Br)cc2[C@H]2CC(c3ccco3)=NN21 19893465 RZQWINOZPJXTGQ-OXQOHEQNSA-N 490.151 5.753 10 50 JKCA O=C1/C(=C/NCc2ccncc2)C(CSc2ccc(Cl)cc2)=NN1c1nc2ccccc2s1 22130708 PXGHRSUUPUJPCU-XMHGGMMESA-N 492.029 5.513 10 50 JKCA O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1ccc(Br)cc1 13800454 ZDPYRKDOSCLZPF-WJDWOHSUSA-N 481.824 5.333 10 50 JKCA CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCCCC3)=NC2=O)cc1C 13809776 QEOAAAZUGAPILA-JJIBRWJFSA-N 472.614 5.703 10 50 JKCA COc1cc(/C=C2\SC(=S)N(CCC3CCCCC3)C2=O)cc(Br)c1O 15011192 BIWHHFVKWWZIEN-WJDWOHSUSA-N 456.427 5.335 10 50 JKCA CCCCc1ccc(/N=N/c2c(O)c(C(=O)Nc3ccc(CCCC)cc3)cc3ccccc23)cc1 22780474 ZJYBPKGKXJYPOX-JEIPZWNWSA-N 479.624 8.898 10 50 JKCA Cc1[nH]c2ccc([N+](=O)[O-])cc2c1/C=C1\C(=O)N(c2cccc(C(F)(F)F)c2)C(=S)N=C1O 34234421 RDIIIDPELSRLEY-SXGWCWSVSA-N 474.420 5.075 10 50 JKCA O=C1/C(=C/c2ccc(OCc3ccc(Br)cc3)cc2)SC(=S)N1Cc1cccnc1 6456781 CYYODUJXXFZCCO-MTJSOVHGSA-N 497.439 5.825 10 50 JKCA CCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(-c3ccccc3)cc2)SC1=S 15684606 HVURVBPMNCYXAP-JJIBRWJFSA-N 467.619 6.427 10 50 JKCA COc1ccc(/C=C/C(=O)Oc2ccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)cc2)cc1 16115868 YCJQUCRFGHXRPO-GSCASXBJSA-N 487.602 5.715 10 50 JKCA O=C1/C(=C\c2cc(Br)ccc2O)SC(=S)N1c1cccc(C(F)(F)F)c1 16675676 IGBSKBPEMNEPTK-VGOFMYFVSA-N 460.296 5.579 10 50 JKCA CN(C)c1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)c2ccco2)[C@H]3c2ccc(N(C)C)cc2)cc1 985743 ROPPZINQYHJNAA-HDQWXURESA-N 468.601 5.848 10 50 JKCA Cc1ccc(-c2ccc(/C=C3/SC(=S)N([C@@H](C(=O)O)c4ccccc4)C3=O)o2)c([N+](=O)[O-])c1 1805159 REYBWBRZKCXMLY-QDDTUJKSSA-N 480.523 5.190 10 50 JKCA CCOc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Cl)c1OCCCOc1ccc(C)cc1 2828307 CJSGOQUCDXAZQH-XSFVSMFZSA-N 478.035 5.726 10 50 JKCA O=C(Nc1ccc(F)cc1)c1ccc2c(c1Sc1ccccc1)C(=O)c1ccccc1C2=O 12376848 UGICHZJXPSLXJB-UHFFFAOYSA-N 453.494 6.005 10 50 JKCA Cc1ccc(-c2ccc(/C=C3/C(=O)N(c4cccc(Cl)c4Cl)C(=O)N=C3O)o2)cc1[N+](=O)[O-] 14010836 KIIAAIYAWIWAJP-GXDHUFHOSA-N 486.267 5.977 10 50 JKCA Cc1ccccc1CSc1nnc(CN(C)Cc2cc(Cl)ccc2O)n1C[C@@H]1CCCO1 14990610 VCRXNBVCFDCFEJ-NRFANRHFSA-N 473.042 5.049 10 50 JKCA COc1cccc(CN2CCC([C@@H](Cc3ccccc3F)N(C)C(=O)c3cccs3)CC2)c1O 20270912 QXCGNCXEEWRSFV-HSZRJFAPSA-N 482.621 5.197 10 50 JKCA CC[C@H](C)c1ccccc1OCCCOc1ccc(/C=C2/SC(=S)N(C)C2=O)cc1OC 22257738 DGYUGQKPLSJEFU-CSUZIONRSA-N 471.644 5.888 10 50 JKCA CCN1C(=O)/C(=C\C=C2\SC(c3ccccc3)=C(c3ccccc3)N2CC)SC1=S 6177610 AAYUBURRNWYFKI-MXWIWYRXSA-N 450.654 6.187 10 50 JKCA COCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2)SC1=S 2304117 LRCYFFLQXZCFDW-KQWNVCNZSA-N 493.654 5.564 10 50 JKCA COc1ccccc1C(=O)Nc1cccc(N2CCC(NCc3ccc(Cl)s3)CC2)c1 12247130 SZBHRQLWCQJJKJ-UHFFFAOYSA-N 456.011 5.421 10 50 JKCA CCCOC(=O)c1cc(-c2ccc(/C=C3\C(=O)NN(c4ccc(C)c(C)c4)C3=O)o2)ccc1Cl 2996371 HWIUGRUNUFTLSV-KGENOOAVSA-N 478.932 5.245 10 50 JKCA O=C1/C(=C/c2ccccc2OCc2ccccc2Cl)SC(=S)N1Cc1cccnc1 15010825 FOPQTIUEYOWUDJ-MTJSOVHGSA-N 452.988 5.715 10 50 JKCA COc1ccc(N2C(=O)/C(=C\c3cn(-c4ccccc4)nc3-c3cccs3)SC2=S)cc1 19878829 IVQNZEQVTFMTTB-KGENOOAVSA-N 475.620 6.015 10 50 JKCA Oc1c(Cl)cc(Cl)cc1[C@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3cccs3)=NN21 25559599 IEDFKTDQDQWIOB-OXJNMPFZSA-N 496.213 6.765 10 50 JKCA CCOC(=O)c1c(-n2c(C)cc(/C=C3\C(=O)N(c4ccccc4)N=C3C)c2C)sc2c1CCCC2 4211713 NHUGZAQDORALSV-KQWNVCNZSA-N 487.625 6.017 10 50 JKCA Oc1ccccc1CN1CCC(c2nnc(SCC3CCCCC3)n2C[C@@H]2CCCO2)CC1 15067741 MDUBLLHHTBIMAZ-QHCPKHFHSA-N 470.683 5.215 10 50 JKCA N=C1/C(=C\c2cn(CCCOc3ccccc3Cl)c3ccccc23)C(=O)N=C2SC=NN12 16248024 JPSAAWWVQGQVKW-SZRLJQQQSA-N 463.950 5.013 10 50 JKCA O=C(O)c1ccc(N2C(=O)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)SC2=S)cc1 1777274 PCSGOCBGSMXHJC-UCQKPKSFSA-N 470.575 5.794 10 50 JKCA Oc1ccccc1CN1CCC(c2nnc(SCc3ccc(F)cc3)n2Cc2ccccc2)CC1 14984513 MSBYQKNQAHHUQK-UHFFFAOYSA-N 488.632 5.843 10 50 JKCA O=C(NCc1ccccc1)c1c(NS(=O)(=O)c2ccc(Cl)cc2)sc2c1CCCC2 18195152 YTPKKMCEUAHVHH-UHFFFAOYSA-N 461.008 5.011 10 50 JKCA COc1ccccc1OCCCOc1ccccc1/C=C1/SC(=S)N(Cc2ccccc2)C1=O 22257763 XYTQBTDDRZVRRS-XIEYBQDHSA-N 491.634 5.945 10 50 JKCA COC(=O)c1c(NC(=O)C[C@H]2Sc3ccccc3NC2=O)sc2c1CC[C@@H](C(C)(C)C)C2 949698 BQLOSQRTOJZFOO-FZKQIMNGSA-N 472.632 5.127 10 50 JKCA Cc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2 1070634 GHLGNFXLUPXCKQ-TVZXLZGTSA-N 465.018 6.584 10 50 JKCA O=C1/C(=C/c2ccccc2Cl)SC(=S)N1CCCC(=O)N1CCCc2ccccc21 1180812 SOCQEYUAMRSTGL-HKWRFOASSA-N 457.020 5.301 10 50 JKCA C[C@@H](c1ccccc1)N1C(=O)/C(=C2/C(=O)N(CC(=O)Nc3ccccc3)c3ccccc32)SC1=S 1833239 TXGTYOTZMFFGNZ-TZFALNRWSA-N 499.617 5.005 10 50 JKCA O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)C1(Nc1ccccc1)c1ccccc1 2897562 AOEPOZRCQYUCPB-UHFFFAOYSA-N 451.136 6.687 10 50 JKCA O=C1/C(=C\c2cn(Cc3ccccc3F)c3ccccc23)SC(=S)N1c1cccc(F)c1 2992992 LFVKIXRNKUDCMR-FSJBWODESA-N 462.546 6.374 10 50 JKCA CCC(=O)N1N=C(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)C[C@H]1c1ccc(N(C)C)cc1 9211010 LYJDCAZWGUPCDY-VWLOTQADSA-N 499.014 6.002 10 50 JKCA Cc1ccc(C2=NN3[C@H](c4cc(Cl)ccc4O)Oc4c(Cl)cc(Cl)cc4[C@H]3C2)cc1 100702298 AOXNHDAMKHFIOZ-OFNKIYASSA-N 459.760 6.903 10 50 JKCA O=S(=O)(Nc1cc(Sc2cccc3cccnc23)c(O)c2ccccc12)c1ccccc1 1119380 PQIKPRFFZWZBIW-UHFFFAOYSA-N 458.564 6.046 10 50 JKCA CN(C)c1ccc(C(c2ccc(N(C)C)cc2)c2cc([N+](=O)[O-])cc(Br)c2O)cc1 19899176 QGKYJYQOQFLUHR-UHFFFAOYSA-N 470.367 5.375 10 50 JKCA CC[C@H](C1=NN2C(=N)/C(=C\c3ccc(-c4cccc(C(=O)O)c4)o3)C(=O)N=C2S1)c1ccccc1 20058023 PAZGILBXCIEMSE-UBUGFGJGSA-N 484.537 5.458 10 50 JKCA CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C(C)C)C2=O)cc1C 2355946 AHVHDBIELSFITM-JLPGSUDCSA-N 491.682 6.636 10 50 JKCA CCN1C(=O)/C(=C/c2ccc(OC)c(COc3cccc(C(F)(F)F)c3)c2)SC1=S 2771919 DGMVISRPERTJQP-ZDLGFXPLSA-N 453.507 5.514 10 50 JKCA CCOc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OCc1ccccc1C 2864054 PGBBUQDVXZEUCS-PCLIKHOPSA-N 475.635 6.374 10 50 JKCA Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1ccc(Br)c(Cl)c1 14009228 GJXPRVHOWQDCMR-JMIUGGIZSA-N 484.806 5.280 10 50 JKCA COc1ccc2c(c1)S[C@@H](c1cccc(C(F)(F)F)c1)CCN2Cc1ccc2c(c1)OCO2 14968573 UFRNJBPOGXLSGS-HSZRJFAPSA-N 473.516 6.686 10 50 JKCA O=C(O)c1ccc(COc2ccc(Cl)cc2/C=C2/C(=O)N(c3ccccc3)C(=O)N=C2O)cc1 16248019 NYJLSWWCZKLNMH-DEDYPNTBSA-N 476.872 5.124 10 50 JKCA Cc1ccc(CN2C(=O)/C(=C3\SC(=S)N(Cc4ccccc4Cl)C3=O)c3ccccc32)cc1 16805230 FEZWPNRLLWHLAY-FCQUAONHSA-N 491.037 5.967 10 50 JKCA O=C(Cn1cc(/C=C2\C(=O)N(c3cccc(Cl)c3)C(=O)N=C2O)c2ccccc21)Nc1ccccc1 1211491 QMCICPXPZONSNH-XKZIYDEJSA-N 498.926 5.440 10 50 JKCA O=C(Nc1cc(C(F)(F)F)ccc1Cl)N1CCN(c2ccc(OCc3ccccc3)cc2)CC1 13320556 JDPUVCHJBWBCTC-UHFFFAOYSA-N 489.925 6.292 10 50 JKCA CC[C@H](C)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)SC1=S 1814408 JSZMOZWXCYPEEH-VOMLJKFNSA-N 479.627 5.556 10 50 JKCA COc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 13775350 DTLVMXSHIMBQML-BKUYFWCQSA-N 498.582 5.357 10 50 JKCA Cc1ccccc1Cn1cc(/C=C2\C(=N)N3N=C(Cc4cccs4)SC3=NC2=O)c2ccccc21 16266977 APDGKSIMTKIGBU-ODFXPZCVSA-N 495.633 5.921 10 50 JKCA CC(C)CC(=O)O[C@H]1[C@@H](N2CCCCC2)c2c(ccc(/C=C/C(=O)N3CCCCC3)c2O)OC1(C)C 4016729 IVCDQEWYXBNGOX-LLTZLZMHSA-N 498.664 5.074 10 50 JKCA biogenic Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc1 13810328 OVFZFDLNGRLAKT-PDGQHHTCSA-N 464.534 5.634 10 50 JKCA COc1ccccc1OCCCOc1cccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)c1 15857099 NFZVMOBLWPFAFM-XIEYBQDHSA-N 491.634 5.945 10 50 JKCA CC(C)(C)c1ccc(Oc2c(C(F)(F)F)oc3c(CN4CCOCC4)c(O)ccc3c2=O)cc1 19789749 UAIHATSSVNLVOB-UHFFFAOYSA-N 477.479 5.439 10 50 JKCA biogenic CCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)O)sc2c1CCCCCCCCCCC2 169620050 NVYIPSZLOYKJNT-YHBROIRLSA-N 491.650 5.351 10 50 JKCA COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 169620945 KVINNEUXOBBPAZ-UZEJHQAJSA-N 494.374 6.826 10 50 JKCA Cc1cc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C(C)C)C2=O)ccc1OCC(C)C 2369874 VQHNFJKTYKHTSQ-OYKKKHCWSA-N 491.682 6.492 10 50 JKCA COc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Cl)c1OCCCOc1ccc(Cl)c(C)c1 2874000 WETSKIHIGLBHDV-XDHOZWIPSA-N 498.453 5.989 10 50 JKCA O=C1/C(=C/c2cccc(OCCOc3ccccc3Cl)c2)SC(=S)N1c1ccccc1F 3001033 YSOODWBWPBSOLG-JCMHNJIXSA-N 485.989 6.343 10 50 JKCA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@@H](C)CC)C2=O)cc1F 16729838 IMUGZFHXBDLTMU-XYLCRUHJSA-N 495.645 6.467 10 50 JKCA Cc1cccc(N2C(=O)/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C(O)=NC2=S)c1C 17197022 PAESNWPRGRLMSE-XDHOZWIPSA-N 474.498 5.071 10 50 JKCA CCOc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Cl)c1OCCCOc1ccc(CC)cc1 22257377 GHTANGQVYYMIAJ-RCCKNPSSSA-N 492.062 5.980 10 50 JKCA CC[C@H](C)c1ccc(OCCOc2ccc(/C=C3\C(=O)NN(c4ccccc4)C3=O)cc2)cc1 9065865 KUYXJDDDVSUKHM-HOIQBIFOSA-N 456.542 5.119 10 50 JKCA CCOc1cc(/C=C2\NC(=S)N(CC)C2=O)cc(Br)c1OCc1ccccc1Cl 9295972 WDNBJFBSFLRYHL-YVLHZVERSA-N 495.826 5.158 10 50 JKCA CCCCCN1CCN(c2ccc(/N=N/c3cnc(-c4ccc(OCCCC)cc4)nc3)cc2)CC1 9554231 CXTNLWREEBOVJR-ULIFNZDWSA-N 486.664 7.050 10 50 JKCA Cc1cccc(Oc2c(C(F)(F)F)oc3c(CN4C[C@H](C)O[C@@H](C)C4)c(O)ccc3c2=O)c1 19791551 XZUWPKSJPCCULQ-GJZGRUSLSA-N 463.452 5.227 10 50 JKCA biogenic CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)SC1=S 1159332 AYQZZTLYWBTLFC-YVLHZVERSA-N 464.952 5.057 10 50 JKCA O=C(CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1nc2ccccc2s1 8763473 FSAMGWDKKDSYCW-GHRIWEEISA-N 473.670 5.758 10 50 JKCA COc1ccccc1C(=O)Nc1cccc(N2CCC(N3CCCC[C@@H]3c3ccccn3)CC2)c1 12726880 ATKIUZPHGJYWON-HHHXNRCGSA-N 470.617 5.539 10 50 JKCA Cc1oc2c(CN3C[C@@]4(C)C[C@H]3CC(C)(C)C4)c(O)ccc2c(=O)c1-c1nc2ccccc2n1C 238881504 AGJBXQJQARGBPL-LBEKAKSKSA-N 471.601 5.761 10 50 JKCA Cc1cc(C(F)(F)F)nn1CC(=O)N1N=C(c2ccc3ccccc3c2)C[C@H]1c1ccccc1O 654256 YWRSCXIXVSUELH-QFIPXVFZSA-N 478.474 5.447 10 50 JKCA CC(C)(C)CC(C)(C)c1ccc(OCCOc2ccc(C(=O)Nc3ccc(N)cc3)cc2)cc1 2165103 PBVKKJKAVGEERG-UHFFFAOYSA-N 460.618 6.693 10 50 JKCA Cc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1C(F)(F)F)N2 14166077 NYAXZRRLPZAONS-BVFVYWQFSA-N 498.570 6.950 10 50 JKCA CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 105373043 MSRULXDMZZISEQ-MHWRWJLKSA-N 476.703 6.621 10 50 JKCA O=S(=O)(Nc1cc(Sc2ccccc2)c(O)c2ccccc12)c1c(F)c(F)c(F)c(F)c1F 409440837 ZXJHEANDHXHGMV-UHFFFAOYSA-N 497.466 6.193 10 50 JKCA O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1nc2ccccc2s1 19940140 WHXZMAQVTTVMFV-YKYHQJSKSA-N 451.598 5.083 10 50 JKCA O=C(O)CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](C(c1ccccc1)c1ccccc1)N2 217684551 DRIKHERJCMUCBX-MRJKTFCFSA-N 452.554 5.177 10 50 JKCA CCc1nc(NC(=O)CCn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@H]32)sc1C 1775971133 GBJZJCYFEKOLCW-SANMLTNESA-N 499.640 5.144 10 50 JKCA COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OC(=O)c1ccc(Cl)cc1 3001076 FOAZIPWQBVXPCJ-HMAPJEAMSA-N 496.009 6.282 10 50 JKCA COC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)N(Cc4ccccc4Cl)C(=O)N=C3O)c2C)cc1 16267308 MTZXCVZGLMIYAT-FYJGNVAPSA-N 491.931 5.036 10 50 JKCA Cc1cc(Oc2c(C(F)(F)F)oc3c(CN4CCOCC4)c(O)ccc3c2=O)ccc1Cl 19793922 HLQXYMWZJQLZOK-UHFFFAOYSA-N 469.843 5.104 10 50 JKCA CCCCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC1=S 25581325 CBQJISXTOFYPCV-CJLVFECKSA-N 482.074 6.974 10 50 JKCA COc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)SC2=S)cc1 1082842 KRUAPLKBJIPPNP-NDENLUEZSA-N 452.513 5.578 10 50 JKCA CCOC(=O)c1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)sc2c1CCCCCCCCCCC2 8455535 OYNOMTLDRSZHCB-MOPGFXCFSA-N 477.667 6.364 10 50 JKCA O=C1/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(C(F)(F)F)=NN1c1ccc(Cl)cc1 13942206 LUAFGPNLOUBTGR-BOPFTXTBSA-N 461.783 5.857 10 50 JKCA Cc1c(NS(=O)(=O)c2ccccc2)cc(C(C)C)c(O)c1S(=O)(=O)c1ccc(Cl)cc1 8590674 OFKDQFZCOGRELK-UHFFFAOYSA-N 480.007 5.111 10 50 JKCA CCOc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C2=O)cc1 15723226 IQBBXRFDADDVLF-LDADJPATSA-N 481.848 5.414 10 50 JKCA CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OC(=O)c1cccs1 2989256 MAZKHJXLFVIXTI-KGENOOAVSA-N 497.619 5.780 10 50 JKCA Cc1ccc(N2C(=O)/C(=C\c3cn(-c4ccccc4)nc3-c3cccs3)SC2=S)cc1 33352190 ZIXODNKTSUKCCE-KGENOOAVSA-N 459.621 6.315 10 50 JKCA Cc1ccc(CN2C(=O)/C(=C3\SC(=S)N(CCc4ccccc4)C3=O)c3ccccc32)cc1 16805409 RPCRMNAPGCPIHO-VHXPQNKSSA-N 470.619 5.356 10 50 JKCA Cc1ccc(N2C(=O)/C(=C/c3cc([N+](=O)[O-])ccc3OCc3ccccc3F)SC2=S)cc1 3000697 KJUMOLPDUKOGFM-XKZIYDEJSA-N 480.542 6.027 10 50 JKCA COCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)c(C)c2)SC1=S 8766998 YIRGZBXHHWNCJT-HAHDFKILSA-N 493.654 5.483 10 50 JKCA O=C(Oc1ccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1Cl)c1ccccc1 22497105 FARMDUCLRZSLEI-UNOMPAQXSA-N 455.944 5.554 10 50 JKCA Cc1ccc(Nc2cc(Oc3ccc(C(C)(C)C)cc3)c3noc4c3c2C(=O)c2ccccc2-4)c(C)c1 100433133 WIGYNLLREKDNNH-UHFFFAOYSA-N 488.587 8.489 10 50 JKCA CC[C@H](C1=NN2C(=N)/C(=C\c3ccc(OC(=O)c4ccco4)cc3)C(=O)N=C2S1)c1ccccc1 8411358 QVLYTRIHBCJEHQ-JYSKPTLNSA-N 484.537 5.312 10 50 JKCA O=C1/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)SC(=S)N1c1ccc(Cl)cc1 9310717 IQVVDPDBYQECSO-RIYZIHGNSA-N 455.742 5.417 10 50 JKCA Cc1cccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(C(C)C)SC4=NC3=O)cc2Cl)c1 16214223 XBRXUVQUBPCTMT-JZSRTLTASA-N 482.993 5.381 10 50 JKCA COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)N(Cc1cc([N+](=O)[O-])cc(OC)c1O)CC2 22077980 HIRWERIBQUXYIX-DEOSSOPVSA-N 484.936 5.127 10 50 JKCA CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@@H]1/N=N/c1ccc(C(=O)c2ccccc2)cc1 100506240 GTMJERUWIUFJHV-LYEHBBOLSA-N 479.565 6.225 10 50 JKCA CCOc1cc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)ccc1OCc1cccc(F)c1 15010836 CUDWCUIWCMRUOU-QRVIBDJDSA-N 480.586 5.600 10 50 JKCA COc1ccc(NC(=O)c2c(NCc3cccc(OC)c3OC)sc3c2CCC3)c(OC)c1 729130 RADBKKYYLCLGGK-UHFFFAOYSA-N 468.575 5.136 10 50 JKCA COc1ccc(N2C(=O)/C(=C\c3ccc(Sc4ccc(Cl)cc4)o3)SC2=S)cc1 6645247 FDKFMKPMDWFELM-LDADJPATSA-N 460.001 6.499 10 50 JKCA CCOC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(Br)c(Cl)c3)c2C)C1=O 8383949 ZUBLVCCROTYIIC-CAOOACKPSA-N 497.798 5.109 10 50 JKCA Cc1cnc(SCc2cccnc2)nc1[C@H]1CCCN(C/C=C/c2ccc(N(C)C)cc2)C1 12243678 RFRUUHRDEUGUFJ-LNJOJYBOSA-N 459.663 5.431 10 50 JKCA O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2)N1CCCCCC1 16156543 CRXMZSSIDMULFK-PQNGQFLHSA-N 451.408 6.292 10 50 JKCA CCc1ccc(OCCOc2c(Cl)cc(/C=C3\SC(=S)N(C)C3=O)cc2OC)cc1 22310393 OVSVZANDYGLQGC-UYRXBGFRSA-N 464.008 5.200 10 50 JKCA O=C1/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(O)=NC(=S)N1c1cccc(F)c1 1163998 WXRSMOHUNWCOEP-MHWRWJLKSA-N 471.853 5.319 10 50 JKCA CCOc1cc(/C=C2/SC(=S)NC2=O)cc(Cl)c1OCc1c(Cl)cccc1Cl 2856529 LEMVDLVSJBYJMZ-LZYBPNLTSA-N 474.818 6.113 10 50 JKCA CC[C@H](C)c1ccccc1OCCOc1ccc(Br)cc1/C=C1\SC(=S)NC1=O 13942425 KHXVGCQHKSMMLO-DABDWFRDSA-N 492.460 5.909 10 50 JKCA Cc1ccccc1OCCOc1ccc(/C=C2/C(=N)N3N=C(c4ccccc4)SC3=NC2=O)cc1 15800595 DYYMPUNKECPHIV-DZNPVLHISA-N 482.565 5.120 10 50 JKCA CN(C)c1ccc([C@H]2Oc3c(Cl)cc(Cl)cc3[C@H]3CC(c4ccc5ccccc5c4)=NN32)cc1 25578219 MGJJXFGSBNOHAP-IXCJQBJRSA-N 488.418 7.455 10 50 JKCA Cc1cc(OCCCOc2ccc(Cl)cc2/C=C2/SC(=S)NC2=O)ccc1Cl 2882423 XFRYWOLMIIHTKM-WOJGMQOQSA-N 454.400 5.639 10 50 JKCA C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S 13775102 DMRBMPOBFOXPHB-DZUMZMOTSA-N 460.407 7.216 10 50 JKCA COc1ccc(N2CCN(C(=O)c3cc(-c4ccc(Cl)cc4Cl)nc4ccccc34)CC2)cc1 16392067 DNUSLHCIJJJIPF-UHFFFAOYSA-N 492.406 6.180 10 50 JKCA CCOC(=O)c1c(NC(=O)[C@@H]2C3CCC(CC3)[C@@H]2C(=O)O)sc2c1CC[C@H](C(C)(C)C)C2 20168305 WZBBVSIUHDLBJA-VKXWPSASSA-N 461.624 5.151 10 50 JKCA COc1ccc(CCN2C(=O)/C(=C\c3ccc(Cl)cc3Cl)SC2=S)cc1OC 22130512 GBQROKFBDRJWTE-VCHYOVAHSA-N 454.400 5.455 10 50 JKCA CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCCCC3)=NC2=O)cc1 2533133 KIUOAARDBCCEBX-PLRJNAJWSA-N 486.641 6.174 10 50 JKCA O=C(NCCC(c1ccccc1)c1ccccc1)[C@H]1CC12CCN(Cc1ccccc1O)CC2 12165595 QLOOEEVVRRZYPE-HHHXNRCGSA-N 454.614 5.333 10 50 JKCA COc1cccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4c(C)cccc4C)cc3[C@H]3C=CC[C@H]32)c1OC 16425997 FGZDGHZXRFEERU-FYQCMVGJSA-N 490.625 5.948 10 50 JKCA O=C(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2)N1CCCc2ccccc21 222302898 NXUUFTRTEFEXGF-QSEAXJEQSA-N 451.526 6.014 10 50 JKCA CCCCC1(Cc2cccc(Br)c2)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O 2370634 DNPHSYJIHYHRFW-UHFFFAOYSA-N 477.402 6.163 10 50 JKCA Cc1ccc(Cl)cc1N1C(=O)N=C(O)/C(=C/c2ccccc2OCc2ccc(C(=O)O)cc2)C1=O 16247022 JSKJARSILVGBQN-NDENLUEZSA-N 490.899 5.432 10 50 JKCA CCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OCC(C)C)c2C)SC1=S 16729850 YQSGIMAJFZYJLA-IWIPYMOSSA-N 491.682 6.494 10 50 JKCA COc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3c2ccc(N(C)C)cc2)cc1 33876357 FNQRCMMDHDKNSY-ZCYQVOJMSA-N 478.390 5.766 10 50 JKCA O=C(C(=O)c1ccc(C(=O)c2ccc(C(=O)C(=O)c3ccc(F)cc3)cc2)cc1)c1ccc(F)cc1 22339308 GFQURCRKFKZBHF-UHFFFAOYSA-N 482.438 5.327 10 50 JKCA Cc1ccc(C)c(OCCOc2c(Cl)cc(Cl)cc2/C=C2\SC(=S)NC2=O)c1 15800258 RFMGALLTRIFKRH-MFOYZWKCSA-N 454.400 5.557 10 50 JKCA COc1cc([C@@H](Nc2ccccn2)c2cc(Cl)c3cccnc3c2O)cc(Br)c1O 19849908 WSPTWHGPLHCGCH-LJQANCHMSA-N 486.753 5.667 10 50 JKCA O=C1N=C(N2CCN(c3cccc(Cl)c3)CC2)S/C1=C/c1ccc(OCc2ccccc2)cc1 2310221 UKLSLZACHXSYIB-KOEQRZSOSA-N 490.028 5.712 10 50 JKCA COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCCOc1ccccc1 2994219 CSSJNJMXAQETHO-JWGURIENSA-N 498.025 6.212 10 50 JKCA Cc1ccc(COc2ccccc2/C=C2/SC(=S)N(CCCCCC(=O)O)C2=O)cc1 26771455 JFOKJXIZHUWTAZ-RCCKNPSSSA-N 455.601 5.420 10 50 JKCA CCCC[C@@H](CC)CN1C(=O)/C(=C2/C(=O)N(Cc3ccccc3Cl)c3ccccc32)SC1=S 2672156 IXLXNUFIFGJKLU-LBNMDVIHSA-N 499.101 6.675 10 50 JKCA CCOC(=O)c1[nH]c2ccccc2c1N=NN1CCN(C2c3ccccc3-c3ccccc32)CC1 252679929 TVTZNDXIMDIPKX-UHFFFAOYSA-N 465.557 5.731 10 50 JKCA COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc(Cl)c1OCc1ccc(F)cc1 1146351 WGOAJRWHTVMBJE-JAIQZWGSSA-N 489.977 6.061 10 50 JKCA CN(Cc1c(O)ccc2c(=O)c(-c3ccc(Cl)cc3)c(C(F)(F)F)oc12)C1CCCCC1 1770994 FZLCHECTAWHPTI-UHFFFAOYSA-N 465.899 6.602 10 50 JKCA CCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2)SC1=S 2289524 NMHHGXPIRIAXRD-ULJHMMPZSA-N 491.682 6.718 10 50 JKCA CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCc1cccc(C)c1 2851953 OVDFHCJWRFOXBO-LFVJCYFKSA-N 461.608 6.379 10 50 JKCA Cc1c(N2C(=O)/C(=C/c3c(Cl)cccc3Cl)SC2=S)c(=O)n(-c2ccccc2)n1C 1214460 SQRORAMQGQRBGJ-BOPFTXTBSA-N 476.410 5.197 10 50 JKCA O=C(Nc1ccc(Cl)c2c1C(=O)c1ccccc1C2=O)c1c(F)c(F)c(F)c(F)c1F 8934210 OUFPJOXPBOCGML-UHFFFAOYSA-N 451.734 5.063 10 50 JKCA COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)o1 13546248 RBCCFAGLXMZUEN-YBFXNURJSA-N 472.931 5.923 10 50 JKCA CCOc1cc(/C=C2/SC(=S)NC2=O)ccc1OCCCOc1cc(C)ccc1C(C)C 15857178 AIGFJFUIHCUGJU-HZHRSRAPSA-N 471.644 5.854 10 50 JKCA COc1ccc2c(c1)S[C@H](c1ccc3c(c1)OCO3)CCN2Cc1ccc2ncccc2c1 14989791 HSPUWLTUBCUDQF-SANMLTNESA-N 456.567 6.216 10 50 JKCA COc1ccc(N2C(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3cccs3)SC2=S)cc1 969854 IVQNZEQVTFMTTB-STZFKDTASA-N 475.620 6.015 10 50 JKCA O=C(O)c1ccc(-c2ccc(/C=C3/C(=O)N(c4cccc(Cl)c4)C(=O)N=C3O)o2)cc1Cl 8768948 CPLCWUSXBMIXDB-MHWRWJLKSA-N 471.252 5.458 10 50 JKCA CCc1ccc(OCCCOc2c(Cl)cc(/C=C3\SC(=S)N(C)C3=O)cc2Cl)cc1 22309838 HKMJKWFYVNKREE-UYRXBGFRSA-N 482.454 6.235 10 50 JKCA O=C1/C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)SC(=S)N1c1cccc([N+](=O)[O-])c1 9310406 LETBGYZKUGRXHN-GZTJUZNOSA-N 474.972 6.398 10 50 JKCA COc1cccc(-n2c(CN(C)Cc3ccccc3O)nnc2SCc2cccc(Cl)c2)c1 14992513 MBTZERZPMLEBAC-UHFFFAOYSA-N 481.021 5.559 10 50 JKCA CC[C@@H]1CCCCN1Cc1c(O)ccc2c(=O)c(-c3ccccc3OC)c(C(F)(F)F)oc12 4290006 KBEDTBQFKKWVJW-OAHLLOKOSA-N 461.480 5.958 10 50 JKCA biogenic CCCCC[C@@H]1CCN2c3c1cc(C(=O)O)cc3[C@@H]1C=CC[C@@H]1[C@@H]2c1ccc(Br)cc1 4817548 SATVLVYEJAZVPV-ZMZRDZHMSA-N 480.446 7.436 10 50 JKCA biogenic Cc1ccc(Nc2ccc(Nc3ccc(C)cc3)c3c2C(=O)c2cc(Cl)c(Cl)cc2C3=O)cc1 5390461 UHUSIGIXPSHDGG-UHFFFAOYSA-N 487.386 7.873 10 50 JKCA CCCCc1nnc(NC(=O)CCCN2C(=O)/C(=C/c3ccc(CC)cc3)SC2=S)s1 9404794 CFGTXPXXSIYDLB-VKAVYKQESA-N 474.677 5.063 10 50 JKCA COc1ccc2c(c1)S[C@H](c1ccc(F)cc1F)CCN2Cc1cc(OC)c(O)c(OC)c1 12152311 GSYRSIDMHXJTBJ-QHCPKHFHSA-N 473.541 5.940 10 50 JKCA CCc1ccc(-c2nc3ccccc3c(C(=O)N3CCN(c4ccc(OC)cc4)CC3)c2C)cc1 1073398 WFTAKGIKICNYNP-UHFFFAOYSA-N 465.597 5.744 10 50 JKCA CCOC(=O)C1=C(C(=O)OCC)SC(=C2C(=S)C(C)(C)N(C)c3ccc(C)cc32)S1 3878847 PSJMVPPPADLXFV-UHFFFAOYSA-N 463.646 5.080 10 50 JKCA O=C1/C(=C/c2ccccc2OCc2ccc(Br)cc2)SC(=S)N1Cc1cccnc1 15010831 CJLMYEBCYHPVEJ-MTJSOVHGSA-N 497.439 5.825 10 50 JKCA CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)cc(Cl)c1OCCCOc1ccccc1C 22257542 LCNNUZNANBPBSG-RCCKNPSSSA-N 492.062 6.116 10 50 JKCA Oc1c(Cl)cc(Cl)cc1[C@@H]1Oc2ccc(Br)cc2[C@H]2CC(c3ccccc3)=NN12 25559506 ASRBWMHHDHHJKG-KNQAVFIVSA-N 490.184 6.704 10 50 JKCA CCOC(=O)c1c(NC(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)O)sc2c1CCCCCCCCCCC2 169620051 NVYIPSZLOYKJNT-UBBRYJJRSA-N 491.650 5.351 10 50 JKCA O=[N+]([O-])c1ccc([C@@H]2[C@@H]3CC=C[C@@H]3c3cc(I)cc4c3N2C[C@H]2CC=C[C@@H]42)cc1 239425784 VFYVHHBUHDGGNX-BSTKLLGTSA-N 496.348 6.094 10 50 JKCA COc1ccc(/C=C2/C(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C(=O)N=C2O)c(OC)c1 1184212 PYAFHHDHYYMGBO-OEAKJJBVSA-N 472.497 5.098 10 50 JKCA Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)cc(Cl)c2O[C@@H]3c2cc(Cl)ccc2O)cc1 25558617 AOXNHDAMKHFIOZ-NZQKXSOJSA-N 459.760 6.903 10 50 JKCA CCN1C(=O)/C(=C/c2cc(Cl)cc(Cl)c2OCc2ccc([N+](=O)[O-])cc2)SC1=S 3001923 FLZUCGSNWOGOOA-PXNMLYILSA-N 469.371 5.702 10 50 JKCA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@@H](C)CC)C2=O)cc1 13644297 YWINDTSINQDVBZ-PAJXCOJRSA-N 477.655 6.328 10 50 JKCA CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cn(C)c2ccccc12 100268263 AWAHXHQYMXPMNV-KOEQRZSOSA-N 457.537 5.837 10 50 JKCA CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)cc(Br)c1OCc1ccccc1 13940619 RNAPEHGGBRWTBO-LDADJPATSA-N 478.433 5.648 10 50 JKCA COc1cccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c1OCCCOc1ccccc1C 15857153 RLHHZXABGJQQGM-HKOYGPOVSA-N 491.634 6.257 10 50 JKCA CCCCOC(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C\c3ccc(C)cc3)SC2=S)cc1 9444658 ROEMSDAMWGBJMP-LTGZKZEYSA-N 482.627 5.182 10 50 JKCA COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OC(=O)c1ccc(Cl)cc1 12350079 JQCNJKZAGDARGT-HMAPJEAMSA-N 496.009 5.969 10 50 JKCA CN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)SC1=S 19878961 AQGQOFKYTLVNAA-GZTJUZNOSA-N 456.390 5.133 10 50 JKCA COc1cc(N2C(=O)N=C(O)/C(=C\c3ccc(OCc4ccccc4)cc3)C2=O)c(OC)cc1Cl 1172895 WTWGAGLRYALEFV-XDHOZWIPSA-N 492.915 5.443 10 50 JKCA O=C1/C(=C\c2cccc(Br)c2)SC(=S)N1CCC(=O)N1CCCc2ccccc21 11852318 BLLTUTRUXYSIAY-XMHGGMMESA-N 487.444 5.020 10 50 JKCA COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 16193257 BDXPZDRKJKGWCK-UCQKPKSFSA-N 492.578 5.584 10 50 JKCA CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CC)C2=O)cc1 33930163 WIFHNUYDXFBFEC-HKOYGPOVSA-N 491.682 6.720 10 50 JKCA CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@H]1/N=N/c1ccc(C(=O)c2ccccc2)cc1 100506245 GTMJERUWIUFJHV-QBKUVYRMSA-N 479.565 6.225 10 50 JKCA CCOc1cc(/C=C2\SC(=S)N(Cc3ccc(OC)cc3)C2=O)cc(Br)c1OC 1166679 YPYJINSIDVQSGQ-WQRHYEAKSA-N 494.432 5.266 10 50 JKCA Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)cc2)cc1 2966105 OFZRSEHVMGWXQA-RCCKNPSSSA-N 467.593 5.169 10 50 JKCA O=C(O)c1ccc(-c2ccc(/C=C3\C(=O)N(c4ccc(Cl)cc4)C(=S)N=C3O)o2)cc1Cl 13809991 ABSNMGWRYXZXCF-YBEGLDIGSA-N 487.320 5.623 10 50 JKCA O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(-c2cc(Cl)ccc2Cl)o1 16675620 RTXYNTZITLZPMD-ZROIWOOFSA-N 468.123 6.022 10 50 JKCA COc1ccc(-c2c(C(F)(F)F)oc3c(CN4CCC[C@H](C)C4)c(O)ccc3c2=O)cc1OC 956148 GPNIZFSLSCLHTB-AWEZNQCLSA-N 477.479 5.434 10 50 JKCA O=C1/C(=C\c2c[nH]c3ccc(Br)cc23)C(O)=NC(=S)N1c1cc(Cl)cc(Cl)c1 3464971 BSULVTKMRFJRPE-CQPUUCJISA-N 495.185 5.909 10 50 JKCA Oc1ccc(Br)cc1[C@H]1Nc2ccccc2C(c2ccccc2)(c2ccccc2)O1 8855110 FAMRSEXKWMWQPC-VWLOTQADSA-N 458.355 6.588 10 50 JKCA CCOc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCc1c(Cl)cccc1Cl 13892662 MQFJSXUQVFOXGW-VCHYOVAHSA-N 454.400 5.802 10 50 JKCA COc1ccc(S[C@@H]2C[C@@H](C(=O)N(C)Cc3ccoc3)N(Cc3cc(Cl)ccc3O)C2)cc1 14883136 MJNVFLKXGVIEKR-PKTZIBPZSA-N 487.021 5.041 10 50 JKCA N=C1/C(=C/c2ccc(OCc3ccccc3)cc2)C(=O)N=C2SC(Cc3ccccc3)=NN12 15855808 KJCOASQZIDDFJN-ZKNSXIRRSA-N 452.539 5.127 10 50 JKCA Oc1ccc(Br)cc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc4ccccc4c3)=NN21 25901666 SMXFFUBYUKAKJJ-OZXSUGGESA-N 471.354 6.550 10 50 JKCA Cc1ccc(C2(c3ccc(C)cc3)O[C@@H](c3ccc(N(C)C)c([N+](=O)[O-])c3)Nc3ccccc32)cc1 12447652 GRXFOBRWPNBELO-LJAQVGFWSA-N 479.580 6.710 10 50 JKCA COc1cccc(OCCOc2ccccc2/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)c1 16192777 CGTZUTRRHDNYPU-HAHDFKILSA-N 481.570 5.698 10 50 JKCA COc1cccc(OCCOc2ccc(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)cc2)c1 22215355 MOPVBYGXPICKFS-LFVJCYFKSA-N 477.607 5.554 10 50 JKCA CCN1/C(=C/C(C)=C\c2sc3ccccc3[n+]2CC[C@@H](C)S(=O)(=O)O)Sc2ccccc21 90450746 HHGWLRNRKVHQRS-GOSISDBHSA-O 487.692 5.732 10 50 JKCA CCOc1ccc(N2C(=O)N=C(O)/C(=C\c3ccccc3OCc3ccccc3F)C2=O)cc1 1178838 SSWRVQAPEZVCPP-RCCKNPSSSA-N 460.461 5.310 10 50 JKCA COc1ccc(/C=C2/C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C(=O)N=C2O)cc1 2982286 PTCXBOYCAOYOSI-HYARGMPZSA-N 462.889 5.434 10 50 JKCA COc1ccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc1OCc1c(F)cccc1Cl 2989804 CYALVHACYPIBTE-LPYMAVHISA-N 492.037 6.601 10 50 JKCA CCN1C(=O)/C(=C\c2ccc(OCCCOc3ccccc3Cl)c(OC)c2)SC1=S 6470512 UNWBTDBJGFMUEG-XSFVSMFZSA-N 464.008 5.418 10 50 JKCA Cc1cc(OCCOc2ccc(Cl)cc2/C=C2\SC(=S)N(C)C2=O)ccc1Cl 15800364 KSFFEIDCMDNAMB-WQRHYEAKSA-N 454.400 5.591 10 50 JKCA O=C1N=C(N2CCN(C(c3ccccc3)c3ccccc3)CC2)S/C1=C/c1ccccc1Cl 22242144 SJAQQELWRMPPTH-LYBHJNIJSA-N 474.029 5.718 10 50 JKCA CC(C)Oc1ccccc1/C=C1/SC(N2CCN(c3cccc4ccccc34)CC2)=NC1=O 2314128 HRCTZJZFEHIBTM-XIEYBQDHSA-N 457.599 5.420 10 50 JKCA O=C1/C(=C/c2cc(Cl)ccc2OCc2ccccc2[N+](=O)[O-])SC(=S)N1c1ccccc1 3000975 UVPUCLVWUNUYTM-BKUYFWCQSA-N 482.970 6.233 10 50 JKCA CCOc1cc(/C=C2/C(=N)N3N=C(CC)SC3=NC2=O)ccc1OCCOc1ccc(C)cc1C 12285118 GPVGUCZVZPBVER-YXHWSSDLSA-N 492.601 5.189 10 50 JKCA CCOc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc(Br)c1OC 1157796 ICYCSJQXIFXKED-AQTBWJFISA-N 478.433 5.300 10 50 JKCA COc1ccc(C(=O)Oc2cccc(/C=C3\SC(=S)N(c4ccccc4C)C3=O)c2)cc1 2822872 LPNKCFSTTHSAPN-JCMHNJIXSA-N 461.564 5.629 10 50 JKCA Cc1[nH]c2ccc([N+](=O)[O-])cc2c1/C=C1/C(=O)N(c2cccc(C(F)(F)F)c2)C(=S)N=C1O 16225270 RDIIIDPELSRLEY-CXUHLZMHSA-N 474.420 5.075 10 50 JKCA CC(C)Oc1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)cc1Br 2828808 ZAZRASAFHIJPME-RQZCQDPDSA-N 478.389 5.340 10 50 JKCA CCOc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)ccc1OCc1ccccc1Cl 2819513 BNPVYSTVJQYIER-MTJSOVHGSA-N 462.036 6.175 10 50 JKCA O=C1/C(=C\c2cccc(OCc3c(F)cccc3Cl)c2)SC(=S)N1Cc1ccccc1 7018745 DOUSWKBOUBGNSB-LPYMAVHISA-N 469.990 6.460 10 50 JKCA O=C1/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC(=S)N1c1cccc2ccccc12 13546272 SEZZBVPEVRVLOP-HYARGMPZSA-N 458.520 6.414 10 50 JKCA Cc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3cc(Cl)cc(Cl)c3)C2=O)cc1 13785596 JNGZQFDCMUFWRP-IUXPMGMMSA-N 451.400 5.532 10 50 JKCA O=C(O)[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccccc2OCc2ccccc2Cl)SC1=S 32694357 LSNKMTWKMCQLGI-AMUNLKFJSA-N 496.009 5.946 10 50 JKCA COc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)ccc1OC(=O)c1ccc(Cl)cc1 13765494 IDBHHVOKIJTMLN-KGENOOAVSA-N 488.030 6.102 10 50 JKCA CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccccc1 16192944 WOGPCDUXNHOQLF-JLPGSUDCSA-N 461.608 6.379 10 50 JKCA COc1ccc(/C=C/C(=O)Nc2ccc(NC3CCCCC3)c3c2C(=O)c2ccccc2C3=O)cc1 23634118 NBRRTKSRQUCQHT-QGOAFFKASA-N 480.564 5.867 10 50 JKCA biogenic CCOc1cc(OCC)c(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1Br 15010732 HFQCUQDLKNGXGC-MOSHPQCFSA-N 492.460 5.690 10 50 JKCA O=C(Oc1cccc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)c1)c1ccc(F)cc1 16247655 MAPJMPSZHSKTGD-NDENLUEZSA-N 469.946 6.104 10 50 JKCA CCCCCCN1C(=O)/C(=C2\SC(=S)N(CCCC)C2=O)c2cc(Br)ccc21 16805571 ZTLYBJVBHLBPQL-ZCXUNETKSA-N 481.481 5.748 10 50 JKCA O=C(CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1cccc(C(F)(F)F)c1 1146545 JSBNJCVSBJJPCB-ZDLGFXPLSA-N 494.516 5.054 10 50 JKCA CN(C)c1ccccc1NC(=O)c1cc(/N=N/c2cccc(S(=O)(=O)O)c2)c2ccccc2c1O 4044762 LATLQLIRGWSXFM-BYYHNAKLSA-N 490.541 5.526 10 50 JKCA O=C(CF)N[C@@H](NC(=S)Nc1ccc(N=Nc2ccccc2)cc1)C(Cl)(Cl)Cl 239174548 QFOKMKZTJAODRL-HNNXBMFYSA-N 462.765 5.170 10 50 JKCA Cc1cc2oc(=O)c(Cc3ccccc3)c(C)c2c(O)c1CN(C)C[C@@H]1CCCN2CCCC[C@H]12 409414927 ZLLVABAJBJUAOJ-JYFHCDHNSA-N 474.645 5.403 10 50 JKCA biogenic CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 12412894 OTCOVKFIOPLLJF-BOPFTXTBSA-N 451.822 5.013 10 50 JKCA COc1cccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4cccc(Cl)c4Cl)C3=O)c2C)c1 14010831 PJPVMBMEJNUGJD-WQRHYEAKSA-N 484.339 5.076 10 50 JKCA COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1C 16264690 JUAKHOWGTAKTSH-HAHDFKILSA-N 490.606 5.427 10 50 JKCA COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc1C 34107159 HXTIDYWQPQSDHJ-LFVJCYFKSA-N 489.666 6.390 10 50 JKCA Oc1ccc2c(oc3c(-c4cccc(OCCc5ccc6c(c5)CCO6)c4)c4cn[nH]c4nc32)c1O 217939419 NAJQFIBRIHQTGM-UHFFFAOYSA-N 479.492 5.492 10 50 JKCA biogenic COc1ccc(OC)c(NC(=O)c2c(NCc3ccc(OC)c(OC)c3OC)sc3c2CCC3)c1 2072949 HACVEBRZEXUPTH-UHFFFAOYSA-N 498.601 5.144 10 50 JKCA CCOc1ccc(C2=C(/C=C3\SC(=S)NC3=O)[C@H](c3ccccc3C)c3ccccc3O2)cc1 13633055 ZIHVWNFQRPSWJN-HZRUTDPJSA-N 485.630 6.361 10 50 JKCA COc1ccc([C@@H]2CC(c3ccc4ccccc4c3O)=NN2C(=O)c2ccc(C)cc2)cc1OC 9360790 BIKMAUCOTYEKSJ-VWLOTQADSA-N 466.537 5.863 10 50 JKCA Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c(NCc3ccccc3)nc12 16116004 QBZIDLOHNUHXJM-JCMHNJIXSA-N 498.633 5.016 10 50 JKCA O=C(O)CCCN1C(=O)/C(=C/c2ccc(N3CCC4(CCCCC4)CC3)cc2)SC1=S 71766919 QLSWLOPSBLWOEX-JZJYNLBNSA-N 458.649 5.303 10 50 JKCA COc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)SC2=S)cc1 2993248 ILFYFDIZKNOFRA-SRZZPIQSSA-N 489.449 6.815 10 50 JKCA CN(C)c1ccccc1NC(=O)c1cc(/N=N/c2ccccc2S(=O)(=O)O)c2ccccc2c1O 4044763 UUZARGJVKYTFKQ-BYYHNAKLSA-N 490.541 5.526 10 50 JKCA Cc1ccccc1N1C(=O)/C(=C/c2ccc(OC(=O)c3ccccc3Cl)cc2)SC1=S 2825149 AMPSWYQQPGHDKE-STZFKDTASA-N 465.983 6.273 10 50 JKCA Oc1c(Cl)cc(Cl)cc1[C@@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3cccs3)=NN21 25559595 IEDFKTDQDQWIOB-JXFKEZNVSA-N 496.213 6.765 10 50 JKCA O=C1N=C(O)/C(=C\c2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccccc1 1185200 CRMPHWFUQPLHCH-DEDYPNTBSA-N 477.860 5.334 10 50 JKCA CC1=CSC2=NC(=O)/C(=C/c3ccc(OCCOc4ccccc4)c(Br)c3)C(=N)N12 16214262 BWBBLVYXXRVBBK-PUYZJMEQSA-N 484.375 5.074 10 50 JKCA Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccc(Br)cc3)C2=O)cc1 17373755 CVGXNNFYIASJLR-QGOAFFKASA-N 475.433 5.378 10 50 JKCA O=C1/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)SC(=S)N1Cc1ccco1 16267793 HDDGLDZQXCNYBH-NDENLUEZSA-N 452.513 5.168 10 50 JKCA CCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(Cl)c2)SC1=S 19912572 WDPFBSOEDWDPBO-DEDYPNTBSA-N 470.019 5.813 10 50 JKCA CCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2)SC1=S 2368658 AMCLRVRFLGYVTB-JLPGSUDCSA-N 491.682 6.575 10 50 JKCA COC(=O)c1c(C)sc(C(c2sc(C)c(C(=O)OC)c2O)c2c(F)cccc2Cl)c1O 12372127 VZXKMZUYNCMICX-UHFFFAOYSA-N 484.954 5.384 10 50 JKCA CC1=NN(c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(-c2ccccc2)cc1 12558335 FRZLSZXPVILEGV-OFWBYEQRSA-N 480.571 7.012 10 50 JKCA COc1cc(/C=C2/C(=O)N(c3ccccc3Cl)C(=O)N=C2O)ccc1OCc1ccccc1F 15837197 WNZDTFQELGGFMY-SFQUDFHCSA-N 480.879 5.573 10 50 JKCA CCOc1cc(C=C2C(=O)OC(C)(C(C)(C)C)OC2=O)ccc1OCc1ccccc1Cl 2971239 GJSMRLOIIMHHIB-UHFFFAOYSA-N 458.938 5.563 10 50 JKCA CN(C)c1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)c2ccco2)[C@@H]3c2ccc(N(C)C)cc2)cc1 8432299 ROPPZINQYHJNAA-AWIJLNJVSA-N 468.601 5.848 10 50 JKCA COC(=O)c1cccc(-c2ccc(/C=C3/SC(=S)N(Cc4ccc(OC)cc4)C3=O)o2)c1 15012037 IUKAJJLJJVMGSC-FYJGNVAPSA-N 465.552 5.143 10 50 JKCA N=C1/C(=C\c2ccc(OCCOc3ccccc3)c(Cl)c2)C(=O)N=C2SC(c3ccco3)=NN12 16225489 BUJZFTYSGGORKN-VUJLKEPGSA-N 492.944 5.058 10 50 JKCA CCN1C(=O)/C(=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)c2cc(Br)ccc21 16730309 PWJFXGNOHIFFTR-NUMWXTGKSA-N 473.417 5.148 10 50 JKCA CCc1ccc(C(c2sc(C)c(C(=O)OC)c2O)c2sc(C)c(C(=O)OC)c2O)cc1 12413255 AVWLKJDWTGZUFQ-UHFFFAOYSA-N 460.573 5.153 10 50 JKCA CCOc1cc(/C=C2/SC(=S)NC2=O)cc(Cl)c1OCCCOc1ccc(CC)cc1 22257670 XREMVNYCPWXHGX-XSFVSMFZSA-N 478.035 5.638 10 50 JKCA CCc1ccc(OCCCOc2c(Cl)cc(Cl)cc2/C=C2\SC(=S)NC2=O)cc1 22309608 TXNZTXNBHLVOBD-WQRHYEAKSA-N 468.427 5.893 10 50 JKCA O=C(O)c1cccc(-c2ccc(/C=C3\SC(=S)N(c4ccc(Cl)cc4Cl)C3=O)o2)c1 16193315 NVAWDQNBTLPHMN-ZDLGFXPLSA-N 476.362 6.357 10 50 JKCA CC[C@@H](C)c1ccccc1OCCCOc1ccc(/C=C2/SC(=S)N(C)C2=O)cc1OC 22257733 DGYUGQKPLSJEFU-BXDFRRGMSA-N 471.644 5.888 10 50 JKCA O=C(N[C@H](Nc1ccc(/N=N/c2ccccc2)cc1)C(Cl)(Cl)Cl)c1cccs1 6446003 BQPNPJFQYOYRKV-RRRUWBTGSA-N 453.782 6.702 10 50 JKCA Cc1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c(C)n1-c1cccc2ccccc12 8453478 FRCMEKNMYXXFAG-PHLVQQIWSA-N 467.476 5.429 10 50 JKCA O=C1N=C(O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1c1ccc(Br)cc1 8737948 DAHZDXWAGFYDQX-GZTJUZNOSA-N 482.246 5.124 10 50 JKCA O=C1/C(=C\c2ccc(-c3ccc(F)c(Cl)c3)o2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 9310391 CFTWQDYIKMEHML-VCHYOVAHSA-N 460.895 6.053 10 50 JKCA CCOC(=O)COc1ccc(/C=C2\SC(Nc3cccc(Cl)c3C)=NC2=O)cc1OCC 15722595 ZCCFCYONZOAHQJ-NDENLUEZSA-N 474.966 5.071 10 50 JKCA CCN1C(=O)/C(=C\c2cccc(OC)c2OCCCOc2cc(C)ccc2C(C)C)SC1=S 22257747 ODHQACNHHQNTHL-XQNSMLJCSA-N 485.671 6.196 10 50 JKCA COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cc(Br)ccc2O)cc1OC 239433066 XEFWSPCECPMBCB-CYFREDJKSA-N 481.346 5.414 10 50 JKCA Cc1ccccc1-c1cc2c(c(O[C@H]3CCOC3)c1)OCCN(Cc1cc(Cl)ccc1O)C2 12281360 KOLZXFMFWYHYOL-QHCPKHFHSA-N 465.977 5.583 10 50 JKCA CCOC(=O)c1c(NC(=O)C[C@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)sc2c1CCCC2 949676 CETRVVOWXTWANO-MRXNPFEDSA-N 498.548 5.264 10 50 JKCA COc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(F)cc4)c(OC)c3)C(O)=NC2=S)cc1 1201853 GCGVQFFVKSWBAD-FYJGNVAPSA-N 492.528 5.094 10 50 JKCA COc1ccc(CCN2C(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)SC2=S)cc1OC 8743674 PJWGZQHAMXLWLW-UQQQWYQISA-N 491.634 5.727 10 50 JKCA CC[C@H](C)N1C(=O)/C(=C/c2ccc(OC(=O)[C@@H]3[C@H](C=C(Cl)Cl)C3(C)C)cc2)SC1=S 38170667 YDVDPBCNHMNVHM-VUODZNRXSA-N 484.470 6.183 10 50 JKCA CCOc1ccc(N2C(=O)/C(=C/c3cc(Cl)cc(Cl)c3OC)C(O)=NC2=S)cc1 2878851 IZCJRFBNPGNUBN-OQLLNIDSSA-N 451.331 5.072 10 50 JKCA CC[C@@H](C)c1ccc(OCCCOc2c(/C=C3/SC(=S)N(C)C3=O)cccc2OC)cc1 22257600 CKJMGYORRGXBHA-FIOICXDGSA-N 471.644 5.888 10 50 JKCA CCOc1cc(/C=C2/SC(=S)NC2=O)ccc1OCCCOc1ccccc1[C@@H](C)CC 22257688 QLBITZKRWBBKJY-CSUZIONRSA-N 471.644 5.936 10 50 JKCA CCN1C(=O)/C(=C/c2cc(Cl)c(OCCOc3ccccc3OC)c(OC)c2)SC1=S 2993541 FAALRGNPFKWBBY-UYRXBGFRSA-N 480.007 5.036 10 50 JKCA COC(=O)c1ccc(-c2ccc(/C=C3/C(=N)N4N=C(c5ccccc5Cl)SC4=NC3=O)o2)cc1 8493246 HMKKQQSETAKBRR-WFFRMWFSSA-N 490.928 5.054 10 50 JKCA CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C)C2=O)cc1C 9348572 DVTQBUPUQKRBJE-JCMHNJIXSA-N 463.628 5.858 10 50 JKCA CC[C@H](C)c1ccccc1OCCCOc1c(/C=C2/SC(=S)N(C)C2=O)cccc1OC 22257556 FSZMNUHHPFUXIM-JMMZKRSASA-N 471.644 5.888 10 50 JKCA CCOc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)SC2=S)cc1 26962724 WUTHFLLPXFZHIO-DEDYPNTBSA-N 452.513 5.659 10 50 JKCA O=C(CF)N[C@H](NC(=S)Nc1ccc(N=Nc2ccccc2)cc1)C(Cl)(Cl)Cl 239174549 QFOKMKZTJAODRL-OAHLLOKOSA-N 462.765 5.170 10 50 JKCA CN(C)c1ccc(/C=C2\SC(N3CCN(C(c4ccccc4)c4ccccc4)CC3)=NC2=O)cc1 15218374 WEIHBJCUPJKKSB-QLYXXIJNSA-N 482.653 5.130 10 50 JKCA Oc1c(Cl)cc(Cl)cc1[C@H]1Oc2c(Cl)cc(Cl)cc2[C@@H]2CC(c3ccccc3)=NN21 25558573 HLWNFZUSCCQXTE-SIKLNZKXSA-N 480.178 7.248 10 50 JKCA Cc1cc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C)C2=O)ccc1OCC(C)C 2377616 OCFJQGLFDOQBRF-XKZIYDEJSA-N 463.628 5.714 10 50 JKCA Cc1ccc(/C=C2/SC(=S)N(CCC(=O)N3CCC(Cc4ccccc4)CC3)C2=O)cc1 8766294 SUIPJSRCTMCCQO-PTGBLXJZSA-N 464.656 5.068 10 50 JKCA CCCCCCN1C(=O)/C(=C2/C(=O)N(CCC)c3ccc(Br)cc32)SC1=S 16730063 BIAYVPHMOWSJRS-MSUUIHNZSA-N 467.454 5.357 10 50 JKCA O=C1N[C@](c2ccc(N3CCOCC3)cc2)(c2ccsc2)CC(O)=C1Sc1ccccc1Cl 584905559 SUFXXEIVBZJOAP-RUZDIDTESA-N 499.057 5.564 10 50 JKCA in-vitro CC(C)=CCN(c1ccc(OCc2ccccc2)cc1)C1CCN(Cc2ccc(N(C)C)cc2)CC1 3941722 BXNIXMRTJGTCFP-UHFFFAOYSA-N 483.700 6.769 10 50 JKCA Oc1ccc(Br)cc1[C@@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3ccco3)=NN21 19893459 RZQWINOZPJXTGQ-JXFKEZNVSA-N 490.151 5.753 10 50 JKCA CC[C@@H](C)c1ccccc1OCCOc1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc1 22358270 IPXOJZFQFALHDS-WLVUNBRHSA-N 498.579 5.320 10 50 JKCA O=C(O)[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccccc2OCc2ccccc2Cl)SC1=S 32694356 LSNKMTWKMCQLGI-QJUACMODSA-N 496.009 5.946 10 50 JKCA Cc1nn(-c2ccccc2)c(C)c1[C@@H](NC1CCN(c2ccc3c(c2)OCO3)CC1)C(F)(F)F 952995658 UAYZFVKAFUPDBF-XMMPIXPASA-N 472.511 5.080 10 50 JKCA COCCN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccccc2F)SC1=S 2986223 ANVPHBHLYUUBEH-WQRHYEAKSA-N 482.396 5.015 10 50 JKCA CCCC[C@H](CC)CN1C(=O)/C(=C/c2c(NCc3ccco3)nc3ccccn3c2=O)SC1=S 8915523 PCKKHMJYBHOOLL-PNWWAVQQSA-N 496.658 5.317 10 50 JKCA Cc1ccc(OCCOc2ccc(Br)cc2/C=C2\SC(=S)NC2=O)c(C)c1 15800695 FUCBNCKKZSVRKJ-WQRHYEAKSA-N 464.406 5.013 10 50 JKCA COc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCCSc1ccccc1 16192755 ZBSGASWHENFPPY-KQWNVCNZSA-N 497.638 6.411 10 50 JKCA O=c1c(Oc2ccccc2Br)c(C(F)(F)F)oc2c(CN3CCCCC3)c(O)ccc12 934295 WDGKNWLJICASHK-UHFFFAOYSA-N 498.295 6.058 10 50 JKCA biogenic CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C(C)C)C2=O)c(C)c1 2371680 GMOYMCCCFNLQGS-HAHDFKILSA-N 477.655 6.246 10 50 JKCA COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C(C)C)C2=O)cc1Cl 16730463 QEYXIQYNOFFBMY-NDENLUEZSA-N 470.019 5.811 10 50 JKCA COC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(c4cccc(Cl)c4)C3=O)o2)cc1 22309505 KSSMZUZPLXBVFP-UNOMPAQXSA-N 455.944 5.792 10 50 JKCA Cc1ccccc1/N=N/c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)c(C)c1 13590947 VBQHNEVUTDRVPE-BYYHNAKLSA-N 454.382 8.493 10 50 JKCA CCOc1cc(/C=C2/C(=O)N(c3ccc(O)cc3)C(=O)N=C2O)ccc1OCc1ccccc1F 15836602 DCTIJHJFIGBAQT-DEDYPNTBSA-N 476.460 5.016 10 50 JKCA Cc1ccccc1C1=NN2C(=N)/C(=C/c3cccc(OCCOc4ccccc4)c3)C(=O)N=C2S1 15837964 YDFJUYTVMRIJLX-ZSEUTSBQSA-N 482.565 5.120 10 50 JKCA O=C(COc1ccccc1)N[C@H](Nc1ccc(/N=N/c2ccccc2)cc1)C(Cl)(Cl)Cl 25586255 CBJMOHMLEGRGAN-GHFCYRQVSA-N 477.779 6.405 10 50 JKCA COC(=O)c1cccc(-c2ccc(/C=C3\C(=O)N(c4c(F)c(F)c(F)c(F)c4F)N=C3C)o2)c1 22364484 RYYBCWYZQSMAII-ZROIWOOFSA-N 476.357 5.235 10 50 JKCA CCN1/C(=C/C=C2/SC(=S)N(c3ccccc3)C2=O)Oc2ccc(-c3ccccc3)cc21 3146395 KPHQYYSUIWYKPC-LGBOEXNSSA-N 456.592 6.363 10 50 JKCA COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCCOc1c(C)cccc1C 13943912 GQCBWGUCMBQKBN-ULJHMMPZSA-N 491.634 6.176 10 50 JKCA Cc1cc(C)c(C)c(Oc2c(C(F)(F)F)oc3c(CN4CCOCC4)c(O)ccc3c2=O)c1 19793910 REEQMEKXBMIWHD-UHFFFAOYSA-N 463.452 5.067 10 50 JKCA COc1cc(/C=C2/SC(=S)NC2=O)ccc1OCCCOc1ccc(C(C)(C)C)cc1 2874130 XDHHHMWDRWVBLY-RCCKNPSSSA-N 457.617 5.329 10 50 JKCA CCCCc1cc(=O)oc2c(CN3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@@H]56)[C@@H]43)c(O)c(Cl)cc12 886025237 GCTLTJXIRFPHAV-UXJUZMSRSA-N 497.079 5.890 10 50 JKCA COc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccccc4F)c(OC)c3)C(O)=NC2=S)cc1 1201731 ZWLUGTFPKSTLQG-DEDYPNTBSA-N 492.528 5.094 10 50 JKCA CCOC(=O)c1ccc(N2N=C(C(F)(F)F)/C(=C/c3ccc(-c4cccc(C(=O)O)c4)o3)C2=O)cc1 6492065 IRHKZHZNAYUQPF-UYRXBGFRSA-N 498.413 5.170 10 50 JKCA Cc1ccc(OCCCOc2cccc(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)c2)cc1 15856231 PEWDBDUCHBVOGH-XIEYBQDHSA-N 475.635 6.244 10 50 JKCA CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(C(=O)OCC(C)C)c2)o1 16694486 AZWSDXDNTLADHG-BKUYFWCQSA-N 480.923 6.358 10 50 JKCA Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc1 33345110 JWJOKPAWLZTGFL-XQNSMLJCSA-N 459.640 6.382 10 50 JKCA Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H](c3ccccc3)C23C(=O)c2ccccc2C3=O)cc1 4016248 BASIJZFSHJMCTA-NEEKEDPPSA-N 498.534 5.734 10 50 JKCA O=C(/C=C/c1ccccc1)N[C@H](Nc1ccc(/N=N/c2ccccc2)cc1)C(Cl)(Cl)Cl 6445974 YILBAQDXYGUBKJ-OHGPFNFMSA-N 473.791 7.040 10 50 JKCA N=C1/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)C(=O)N=C2SC(c3ccccc3)=NN12 6457293 DPLMAUZYSKXEKC-VLXLKOCRSA-N 479.540 5.496 10 50 JKCA Cc1ccccc1N1CCN(C2=NC(=O)/C(=C\c3ccc(OCc4ccccc4)cc3)S2)CC1 9370957 WJPJTMXWHKUYHL-LGUFXXKBSA-N 469.610 5.367 10 50 JKCA CCOc1cc(/C=C2/C(=O)N(c3cccc(Cl)c3Cl)C(=S)N=C2O)ccc1OC 15799463 BHOCRGCSSUNEQU-FMIVXFBMSA-N 451.331 5.072 10 50 JKCA COc1ccc(-n2cccc2/C=C2/C(=O)N(c3ccc(Cl)cc3Cl)C(=O)N=C2O)cc1 1174106 WLLPGBRLXNFSHT-SFQUDFHCSA-N 456.285 5.299 10 50 JKCA O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C\c1ccc(OCc2ccccc2)cc1 2295995 RJLXWLPDQBJXFO-PLRJNAJWSA-N 455.583 5.058 10 50 JKCA CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc(C)cc1 2848031 SGGPJJSBRYEYSI-LFVJCYFKSA-N 461.608 6.379 10 50 JKCA COc1cccc(C(=O)N[C@H](c2ccccc2Cl)c2cc(Cl)c3cccnc3c2O)c1 6427115 RGYWJLQSCQFCPG-OAQYLSRUSA-N 453.325 5.775 10 50 JKCA CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OCc3ccccc3)cc2)CC1 8450799 WEBPZSVXRFWJOC-UHFFFAOYSA-N 464.993 5.425 10 50 JKCA Cc1[nH]c2ccccc2c1CCN/C=C1/C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 8846527 GPYBCHQVUFQVBM-FOWTUZBSSA-N 469.492 5.067 10 50 JKCA COc1cc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)ccc1OC(=O)c1cccs1 15224888 ISVZGSPLSYPWAH-HELPIZENSA-N 494.598 5.175 10 50 JKCA CN(C)c1ccc([C@H]2C3=C(N=C4N=CNN42)c2cc(Cl)ccc2O[C@H]3c2ccc(Cl)cc2)cc1 25577987 HHRBSXWNMOTCSX-DQEYMECFSA-N 490.394 5.864 10 50 JKCA Cc1ccccc1N=Nc1ccc(NC(=S)N[C@H](NC(=O)CF)C(Cl)(Cl)Cl)c(C)c1 239235439 VZDKQEMOSBIJFB-KRWDZBQOSA-N 490.819 5.787 10 50 JKCA CCOc1cc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)cc(Br)c1OC(C)=O 2873538 NHMSFGBDTNTEQP-OVCLIPMQSA-N 463.711 5.408 10 50 JKCA COc1ccc(NC2(c3ccccc3)C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc1 2904912 XGTSLCZVBRGYHU-UHFFFAOYSA-N 481.162 6.695 10 50 JKCA CCN1C(=O)/C(=C/c2cc(OC)c(OCc3ccc(Cl)cc3)cc2Br)SC1=S 3005419 XMWRCQYSNFUBCL-NVMNQCDNSA-N 498.851 5.911 10 50 JKCA CCCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)SC1=S 25581296 YFWLGWVQAYIISC-RCCKNPSSSA-N 451.592 6.070 10 50 JKCA COc1cc(/C=C2\C(=O)N(c3cccc(C(=O)O)c3)N=C2C)ccc1OCc1ccc(Cl)cc1 110068044 DQQKFKPHNLPDRY-UUYOSTAYSA-N 476.916 5.432 10 50 JKCA COc1ccc2c(c1)S[C@@H](c1cc3c(cc1Cl)OCO3)CCN2Cc1cnn(C)c1C 15007324 BDLYZAHTINGYJR-JOCHJYFZSA-N 457.983 5.363 10 50 JKCA Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)o1 16283257 YTNZBGCWAAZINC-ODLFYWEKSA-N 456.932 6.222 10 50 JKCA CCCC[C@@H](CC)CN1C(=O)/C(=C2/C(=O)N(Cc3ccc(C)cc3)c3ccccc32)SC1=S 16805323 SCGUKRQILUUHTL-QNBCRBJRSA-N 478.683 6.330 10 50 JKCA Cc1cc(OCCOc2ccc(/C=C3\C(=N)N4N=CSC4=NC3=O)cc2Cl)ccc1Cl 22478460 RDMQVGYYWZYKOK-BEBMFCDBSA-N 475.357 5.009 10 50 JKCA CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)cc1 25581199 IXKRBOYNPCJUSL-WWOVWOHCSA-N 491.638 5.318 10 50 JKCA Cc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1C(F)(F)F)N2 44608799 NYAXZRRLPZAONS-GOHWNWGWSA-N 498.570 6.950 10 50 JKCA CCOc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C(O)=NC2=S)cc1 2248373 LYLMIHKZXRFOET-LDADJPATSA-N 497.916 5.579 10 50 JKCA CCN1C(=O)/C(=C\c2ccc(OCc3c(Cl)cccc3Cl)c(OC)c2)SC1=S 6470522 CCIUHEAACBITOG-VCHYOVAHSA-N 454.400 5.802 10 50 JKCA Cc1ccccc1OCCOc1cccc(/C=C2/C(=N)N3N=C(c4ccccc4)SC3=NC2=O)c1 15800537 JCMIATAQMNJPAZ-DZNPVLHISA-N 482.565 5.120 10 50 JKCA COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCCCOc1ccccc1 16192995 WCIFLIJAFVXYMA-BWAHOGKJSA-N 491.634 6.257 10 50 JKCA CCC1=NN2C(=N)/C(=C\c3ccc(OCCOc4cc(C)cc(CC)c4)c(OC)c3)C(=O)N=C2S1 22289138 WNMMPQAABJZSOX-KXYLLZDBSA-N 492.601 5.053 10 50 JKCA COc1ccc(/C=C2/C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C(=O)N=C2O)cc1OC 15799745 GXBRLISUVPZOIY-FYJGNVAPSA-N 492.915 5.443 10 50 JKCA CC1=NN(c2nc(-c3ccc(Br)cc3)cs2)C(=O)[C@@H]1/N=N/c1ccc(C(=O)O)cc1 100506092 VOSICHZKEKCCAP-GSWFEHRJSA-N 484.335 5.146 10 50 JKCA CC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccc(C)cc3N12 248376688 DHXZRFZTLGESMD-UODIDJSMSA-N 467.952 5.671 10 50 JKCA CCCOc1ccc(/C=C2\C(=O)N(c3ccc(OC)cc3)C(C)=C2C(=O)OCC)cc1OCC 2303974 LLERRKQIIABBGH-JWGURIENSA-N 465.546 5.150 10 50 JKCA COCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2)SC1=S 2364090 VDFSKKCFJDLMMO-HAHDFKILSA-N 493.654 5.422 10 50 JKCA O=C1NC(=S)S/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 2840245 VFRRFFZHMTUQEK-LHHJGKSTSA-N 465.210 6.368 10 50 JKCA CCCCCCN1C(=O)/C(=C2\SC(=S)N(C(C)C)C2=O)c2cc(Br)ccc21 16731848 XJZGKZINERDJRI-MSUUIHNZSA-N 467.454 5.356 10 50 JKCA CC(C)Cc1nnc(NC(=O)CCCN2C(=O)/C(=C/c3ccccc3Cl)SC2=S)s1 1781881 ATIPQICGCQSDEE-PTNGSMBKSA-N 481.068 5.010 10 50 JKCA COc1ccccc1-c1c(C(F)(F)F)oc2c(CN(C)C3CCCCC3)c(O)ccc2c1=O 1782084 GCPGIZBTPOEFOE-UHFFFAOYSA-N 461.480 5.958 10 50 JKCA biogenic CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC)C2=O)cc1 2268828 WFXMTADTYCPWTR-JWGURIENSA-N 463.628 5.939 10 50 JKCA COc1ccc(/C=C2\SC(N3CCN(C(c4ccccc4)c4ccccc4)CC3)=NC2=O)cc1OC 9065209 PUAGBDQLGKMIBQ-QOMWVZHYSA-N 499.636 5.081 10 50 JKCA COc1cccc(CN2CCC([C@H](Cc3ccccc3Cl)N(C)C(=O)c3ccco3)CC2)c1O 15069877 JFNBRMQNGBRZRV-QHCPKHFHSA-N 483.008 5.243 10 50 JKCA O=C(O)CCCCCN1C(=O)/C(=C\c2cccc(OCc3ccc(Cl)cc3)c2)SC1=S 32694349 MOMDPFNTIUDLCP-XSFVSMFZSA-N 476.019 5.765 10 50 JKCA COc1ccc(Cl)c2c1N[C@H](c1cc(Br)c(OC)c(OC)c1)[C@H]1CC=C[C@H]21 15227913 ILPDQYFUSKJDHT-WTOJCKNJSA-N 450.760 5.955 10 50 JKCA CCCCN1C(=O)/C(=C2\SC(=S)N(C3CCCC3)C2=O)c2cc(Br)ccc21 16731357 DNCHYKINKJGOSD-MSUUIHNZSA-N 465.438 5.110 10 50 JKCA COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OCCSc1ccccc1 22497126 DPALCGWBAUOQAS-JCMHNJIXSA-N 483.636 5.861 10 50 JKCA Cc1[nH]c2ccc(Br)cc2c1/C=C1\C(=O)N(c2ccccc2F)C(=S)N=C1O 38185456 UQQGMSCOCZWAAZ-ZROIWOOFSA-N 458.312 5.050 10 50 JKCA CCCCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC)cc2)SC1=S 25581331 SEAZZUYANIUWPK-HKOYGPOVSA-N 491.682 6.720 10 50 JKCA CCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC)cc2)SC1=S 33352187 QTDKSMVTJZYIMQ-CJLVFECKSA-N 463.628 5.939 10 50 JKCA CCOc1cc(/C=C2/C(=O)N(c3cc(C)cc(C)c3)C(=S)N=C2O)cc(Cl)c1OCC 2811582 QQVCOEKABMSSSK-LICLKQGHSA-N 458.967 5.426 10 50 JKCA CCOc1cc(/C=C2\SC(=S)NC2=O)ccc1OCCOc1ccc([C@H](C)CC)cc1 15800572 VDJNDBNDGARYSN-GRVPHDJPSA-N 457.617 5.545 10 50 JKCA O=C(Oc1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc1)c1ccc(F)cc1 16247252 USUNHNGKAUEKOF-MOSHPQCFSA-N 453.491 5.590 10 50 JKCA CCN1C(=O)/C(=C\c2cc(Br)c(OCc3ccccc3F)c(OC)c2)SC1=S 6470381 YBZSDAVHFDEVOS-LICLKQGHSA-N 482.396 5.397 10 50 JKCA CCOc1cc(/C=C2\C(=N)N3C(C)=CSC3=NC2=O)ccc1OC(=O)c1ccc(C(C)(C)C)cc1 16247063 HMXMMIRBHMMABF-OAXZUEFOSA-N 489.597 5.769 10 50 JKCA C/C(Nc1cc(Cl)ccc1O)=C1\C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 18246834 LGAPWJJRDJCOSU-OQLLNIDSSA-N 452.845 5.306 10 50 JKCA C[C@@H]1CN(Cc2c(O)ccc3c(=O)c(Oc4ccc5ccccc5c4)c(C(F)(F)F)oc23)C[C@@H](C)O1 19791840 NOFQVNLZFBUKGR-HZPDHXFCSA-N 499.485 6.072 10 50 JKCA biogenic CCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)SC1=S 19878952 MLGXJKLOGLOIBR-CPNJWEJPSA-N 450.545 5.059 10 50 JKCA CC1(C)C[C@H]2C[C@@](C)(CN2Cc2c(O)ccc3cc(-c4ccc5ccccc5n4)c(=O)oc23)C1 100651014 VEFJOPJDVUJAHM-AFJIDDCJSA-N 454.570 6.114 10 50 JKCA Oc1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)c(-c3ccc(-c4ccccc4)cc3)[nH]2)cc1O 2921408 NMMKQHNAHIMCPE-UHFFFAOYSA-N 480.567 8.156 10 50 JKCA O=C(COc1ccccc1)N[C@@H](c1ccc(Cl)cc1Cl)c1c(O)ccc2ccccc12 2979003 UFCHRFCCAJOLOA-VWLOTQADSA-N 452.337 6.137 10 50 JKCA CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(Cl)c1OC(=O)c1ccco1 16247542 ZHXGCQLQLLYBAS-MOSHPQCFSA-N 499.997 5.952 10 50 JKCA CCc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccc(F)c(Cl)c3)C2=O)cc1 17373726 FCIQDJMYSYNNRW-XDHOZWIPSA-N 462.999 5.662 10 50 JKCA O=c1c(-c2cccc3ccccc23)c(C(F)(F)F)oc2c(CN3CCCCC3)c(O)ccc12 1770098 FMJRWYYCSDBRCI-UHFFFAOYSA-N 453.460 6.324 10 50 JKCA COc1cc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)ccc1OC(=O)c1ccccc1F 2834005 SETGDFDVXIDLJG-HMAPJEAMSA-N 495.553 5.468 10 50 JKCA CCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)SC1=S 12311284 HSVOMMJMXFFRPT-CPNJWEJPSA-N 484.444 5.913 10 50 JKCA CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCCOc4ccccc4Cl)cc3)C2=O)cc1 16193610 GSNISQGUURZARK-XLNRJJMWSA-N 490.943 5.027 10 50 JKCA Cc1cc(N2C(=O)N=C(O)/C(=C\c3cc(Cl)c(O)c(Cl)c3)C2=O)ccc1Br 1211221 QPPAJVAQIURVFX-VZUCSPMQSA-N 470.106 5.277 10 50 JKCA O=c1c(-c2ccccc2Cl)c(C(F)(F)F)oc2c(CN3CCCCCC3)c(O)ccc12 1747707 DOQWHQSMIARCCM-UHFFFAOYSA-N 451.872 6.214 10 50 JKCA biogenic CCCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)SC1=S 19879120 NMUPBMIQCBADJO-RCCKNPSSSA-N 478.599 5.839 10 50 JKCA Cc1ccccc1N1C(=O)/C(=C\c2c(C)[nH]c3ccc(Br)cc23)C(O)=NC1=S 34234485 BBTZUTRSZAOHLQ-YBEGLDIGSA-N 454.349 5.219 10 50 JKCA CCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)SC1=S 2672931 LJYCFIVBGFHNNN-ZHZULCJRSA-N 464.572 5.449 10 50 JKCA COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)SC2=S)cc1 8872092 WHRZVJBQZQLZSM-YBFXNURJSA-N 462.379 6.668 10 50 JKCA CCc1cc2c(=O)c(-c3nc(C)cs3)coc2c(CN2CCC[C@@H](c3cccnc3)C2)c1O 11867323 MPNBYOPYBMAXEQ-LJQANCHMSA-N 461.587 5.268 10 50 JKCA CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)c(C)c2)SC1=S 2355227 UYZBUSWPYUMBKA-HMAPJEAMSA-N 463.628 5.856 10 50 JKCA COc1cc(/C=C2/C(=O)N(c3ccc(O)cc3)C(=O)N=C2O)ccc1OCc1ccccc1Cl 15836381 UQIWDYOCKNQBML-XDHOZWIPSA-N 478.888 5.140 10 50 JKCA COc1ccc(CCN/C(C)=C2\C(=O)N(c3nc4ccccc4s3)N=C2c2ccccc2)cc1 100910626 KKFXUSRQAXYWNX-MOHJPFBDSA-N 468.582 5.162 10 50 JKCA S=C(c1ccc(-c2ccc(Br)cc2)o1)N1CCN(c2cccc(Cl)c2)CC1 1153705 GFNSKLBEFCMIDJ-UHFFFAOYSA-N 461.812 5.860 10 50 JKCA COc1ccc2c(c1)-c1c(sn(-c3ccc(C)cc3)c1=S)C(C)(C)N2Cc1ccccc1 2217342 IUZYWFFIKNPQLG-UHFFFAOYSA-N 458.652 7.508 10 50 JKCA CCN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)SC1=S 6470525 AEKXZESPLINAFJ-VCHYOVAHSA-N 454.400 5.802 10 50 JKCA O=C1/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)SC(=S)N1c1ccccc1 12285312 SOTYUSCZMRLLTC-WOJGMQOQSA-N 487.356 6.023 10 50 JKCA CCCCSc1c(C(=O)Nc2ccc(OC(F)(F)F)cc2)ccc2c1C(=O)c1ccccc1C2=O 12410834 DLZXQAKHPYXHPF-UHFFFAOYSA-N 499.510 6.505 10 50 JKCA Cc1cc(C)cc(OCCOc2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)cc2)c1 15800232 LRNFCCBRMLOYKU-ULJHMMPZSA-N 461.608 6.167 10 50 JKCA COc1ccc(-n2c(C)cc(C(=O)CSc3nnc4cc(C)c5ccccc5n34)c2C)cc1 628613 CINSWWUDHZGRML-UHFFFAOYSA-N 456.571 5.582 10 50 JKCA O=C(CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1cc(Cl)ccc1O 1179527 YGTYYXHDKMMBRA-YVLHZVERSA-N 467.399 5.319 10 50 JKCA CSCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S 8735646 HSSJGOYABIOKSH-FSEGOYHTSA-N 488.439 5.661 10 50 JKCA O=[N+]([O-])c1ccc([C@@H]2[C@@H]3CC=C[C@@H]3c3cc(I)cc4c3N2C[C@H]2CC=C[C@H]42)cc1 8990092 VFYVHHBUHDGGNX-MSBWEVJISA-N 496.348 6.094 10 50 JKCA CCOC(=O)c1oc2c(CN3CCCC3)c(O)c(CC)cc2c(=O)c1-c1nc2ccccc2s1 8837159 HAWKDRZSBOGTEG-UHFFFAOYSA-N 478.570 5.110 10 50 JKCA CCCCCN1C(=O)/C(=C2\SC(=S)N(Cc3ccco3)C2=O)c2cc(Br)ccc21 16731928 LFLKJXGYIMQYEW-ZCXUNETKSA-N 491.432 5.351 10 50 JKCA CC[C@H](C)c1ccccc1OCCCOc1c(Cl)cc(/C=C2/SC(=S)NC2=O)cc1OC 22257653 YIYDETZEWVZVAR-HBBMIWKISA-N 492.062 6.199 10 50 JKCA O=C(N[C@@H](Nc1ccc(/N=N/c2ccccc2)cc1)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 25560035 HBOCNVDCLOYQKJ-SQXAAPRXSA-N 492.750 6.548 10 50 JKCA CCOc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCCCOc1ccc(Cl)cc1 2843859 QQCXYDJGKWIIGF-XSFVSMFZSA-N 464.008 5.418 10 50 JKCA Cc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)c(C)n1-c1ccc(Br)cc1 13894562 LVQMNITVHUWZEG-HRRBDRACSA-N 470.396 5.132 10 50 JKCA Cc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(OCc4cccc(C(=O)O)c4)c(Cl)c3)C2=O)cc1 13898396 RGXGFOFFOJSKFQ-UDWIEESQSA-N 490.899 5.432 10 50 JKCA COc1ccc(N2C(=O)N=C(O)/C(=C/c3cn(Cc4ccccc4C)c4ccccc34)C2=O)cc1 8914345 ZZEYIWWPYLNNJD-IWIPYMOSSA-N 465.509 5.513 10 50 JKCA CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)/C1=C/c1ccc(-c2ccc3c(c2)C(=O)OC3)o1 107360078 CBUQUIFUCFBSAT-CXUHLZMHSA-N 487.726 6.383 10 50 JKCA COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2 169620944 LQJTURQEFGILOO-UMEGOILYSA-N 459.929 6.172 10 50 JKCA O=C1N=C(O)/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)N1c1ccc2c(c1)OCO2 15836188 AIWLDOUQIHTGKI-DHDCSXOGSA-N 471.252 5.489 10 50 JKCA CCCCCN1C(=O)/C(=C2/C(=O)N(CC(=O)Nc3c(C)cccc3C)c3ccccc32)SC1=S 16730696 FQXWHDBIBRMNJD-LNVKXUELSA-N 493.654 5.050 10 50 JKCA COc1ccc(OCCCOc2ccccc2/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc1 16192877 RINCXISLOLTUFK-ULJHMMPZSA-N 495.597 6.088 10 50 JKCA CC[C@@H](C)c1ccc(OCCCOc2c(/C=C3/SC(=S)N(CC)C3=O)cccc2OC)cc1 22257842 OICJCZRPDLFEAC-KIJZHVTOSA-N 485.671 6.278 10 50 JKCA Cc1c(Cc2ccccc2)c(=O)oc2c(CN(C)C[C@@H]3CCCN4CCCC[C@H]34)c(O)c(Cl)cc12 409414071 NCNVYGWVKBBBHL-HFZDXXHNSA-N 495.063 5.748 10 50 JKCA biogenic Cc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C2=O)cc1 1214782 TURFRORNPRCYNB-GZTJUZNOSA-N 451.822 5.323 10 50 JKCA O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)N1CCC(Cc2ccccc2)CC1 15856643 SWMGPAKEQUBOIH-OQKWZONESA-N 485.074 5.413 10 50 JKCA Cc1ccc(-c2ccc(/C=C3\SC(N4CCN(c5ccc(C)c(Cl)c5)CC4)=NC3=O)o2)cc1 15856709 UALFKTCOHGAXIK-JLPGSUDCSA-N 478.017 6.009 10 50 JKCA COc1ccc(OCCCOc2ccc(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)cc2)cc1 15857190 WFDMCDKFXMTGCZ-XIEYBQDHSA-N 491.634 5.945 10 50 JKCA COc1ccccc1OCCCOc1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1 15857325 HMPYDCTXQNLGJV-XIEYBQDHSA-N 491.634 5.945 10 50 JKCA COc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4C)o3)C(O)=NC2=S)cc1 1163076 YMKQNBZVQLJFLM-XDHOZWIPSA-N 452.919 5.589 10 50 JKCA O=C1NC(=S)S/C1=C\c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 22364185 XYFACCVYEOSJNS-NSIKDUERSA-N 465.210 6.368 10 50 JKCA COc1ccc(Sc2cc(NS(=O)(=O)c3ccc(OC)cc3)c3ccccc3c2O)cc1 2856069 ACTITQUTNZSZEG-UHFFFAOYSA-N 467.568 5.515 10 50 JKCA CCN1C(=O)/C(=C\c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)SC1=S 22241870 KWPYWUQYLZCHCK-WOJGMQOQSA-N 478.433 5.566 10 50 JKCA CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)ccc1OCCCOc1ccccc1Cl 22257714 NGRGCQHTISEDIH-RCCKNPSSSA-N 478.035 5.808 10 50 JKCA COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OC(=O)c1cccs1 101343338 WOLIGEBGYBFVQJ-GZTJUZNOSA-N 497.370 5.545 10 50 JKCA O=C(O)c1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2ccccc2F)N3)cc1 104251832 CTTOGPAAVKCXEG-KHCICDEESA-N 464.518 5.151 10 50 JKCA C/C(=C\C[C@]12O[C@]1(C)C(=O)c1ccccc1C2=O)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C 253700532 KUTXFBIHPWIDJQ-YJZKHIIZSA-N 466.706 8.369 10 50 JKCA endogenous,in-man COc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3c2cc(Cl)ccc2O)cc1 6924966 IYUSUDFJUNFIKI-NZQKXSOJSA-N 485.765 6.059 10 50 JKCA COc1ccccc1C(=O)Nc1cccc(N2CCC(NCCn3ccc4ccccc43)CC2)c1 14986199 YKVKYDRVQJPVEC-UHFFFAOYSA-N 468.601 5.161 10 50 JKCA CC1=NN2C(=N)/C(=C\c3ccc(OCCCOc4cc(C)ccc4C(C)C)cc3)C(=O)N=C2S1 16192893 SVYDEFVJGWAUQQ-UGIGCIEISA-N 476.602 5.605 10 50 JKCA CCN1C(=O)/C(=C\c2cc(Cl)ccc2OCCCOc2ccc(OC)cc2)SC1=S 22257436 AQKRQBIVVMPZIV-XSFVSMFZSA-N 464.008 5.418 10 50 JKCA CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C[C@]12O[C@@]1(C)C(=O)c1ccccc1C2=O 38842629 TUZHANAISKEZFG-YNKDMHFFSA-N 460.658 8.129 10 50 JKCA in-vitro CCc1ccc(OCCCOc2c(Cl)cc(/C=C3/SC(=S)N(CC)C3=O)cc2OC)cc1 22257837 XAURPSZNAXSDML-RCCKNPSSSA-N 492.062 5.980 10 50 JKCA Cc1cc(/C=C2/C(=O)N(c3ccc(Cl)cc3)C(=S)N=C2O)c(C)n1-c1ccc(F)cc1 653723 QPXOTEOJRWRJHV-UDWIEESQSA-N 453.926 5.558 10 50 JKCA CCOc1ccccc1NC(=O)c1c(NCc2cc(OC)c(OC)cc2OC)sc2c1CCC2 920866 VSIBFWCRLUGFQY-UHFFFAOYSA-N 482.602 5.526 10 50 JKCA O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccccc2)SC(=S)N1Cc1ccccc1 2289858 KFWDTZXKPADZMI-KQWNVCNZSA-N 453.592 5.941 10 50 JKCA CCCCC1=NN2C(=N)/C(=C/c3ccc(O[C@@H](C)c4ccccc4)c(OC)c3)C(=O)N=C2S1 15855908 XNBNCGOFVAVVRI-QVBGLLGKSA-N 462.575 5.645 10 50 JKCA COc1cccc(OCCCOc2ccc(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)cc2)c1 15857238 CXEPRRSROKURDI-KOEQRZSOSA-N 491.634 5.945 10 50 JKCA Cc1ccc(OCCOCCOc2c(Cl)cc(/C=C3/SC(=S)NC3=O)cc2Cl)cc1 2960112 QULXLHYDVHAWRQ-LDADJPATSA-N 484.426 5.265 10 50 JKCA CCN(CC)c1ccc(/C=C2/C(=O)N(c3ccccc3)C(=S)N(c3ccccc3OC)C2=O)cc1 3880356 JRFBVJGRONUYCI-NMWGTECJSA-N 485.609 5.290 10 50 JKCA CC1=NN(c2nc(-c3ccc(Br)cc3)cs2)C(=O)/C1=C/c1ccc(N(C)C)cc1 8425680 FURLSRWWSMJAJK-XDHOZWIPSA-N 467.392 5.445 10 50 JKCA COc1ccc(Cl)c2c1N[C@H](c1cc(Br)c(OC)c(OC)c1)[C@@H]1CC=C[C@@H]21 15227915 ILPDQYFUSKJDHT-VLXJIEOASA-N 450.760 5.955 10 50 JKCA CCOc1ccc(NC(=O)CCCCCN2C(=O)/C(=C\c3cccs3)SC2=S)cc1 32694313 STQLGLNBQVDUCG-XDJHFCHBSA-N 460.646 5.547 10 50 JKCA O=C(Oc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1Cl)c1cccs1 2825066 ZNYCYYVUQGIBOC-UNOMPAQXSA-N 472.012 6.022 10 50 JKCA O=C(CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1cccc(Cl)c1Cl 2278939 BYALKFUAIKDVDD-WJDWOHSUSA-N 485.845 6.267 10 50 JKCA CC1=NN(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(-c2ccc(O)c([N+](=O)[O-])c2)o1 100878626 TZDMYNHZUCXWSZ-GZTJUZNOSA-N 468.263 5.129 10 50 JKCA O=C1c2cccc(OC(=O)C3[C@@H]4CCCC[C@@H]34)c2C(=O)c2c(OC(=O)C3[C@@H]4CCCC[C@@H]34)cccc21 229932311 DIMAYDDWOJVDEP-BRSBDYLESA-N 484.548 5.145 10 50 JKCA CCOc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCCCOc1ccccc1Cl 2874175 LIHPVZNNWZIKDA-XSFVSMFZSA-N 464.008 5.418 10 50 JKCA COc1cc(/C=C2/SC(=S)NC2=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 12285361 MDSCNWOCJDYGAR-VIZOYTHASA-N 460.791 5.723 10 50 JKCA CCCC[C@H](CC)CN1C(=O)/C(=C2/C(=O)N(Cc3ccccc3Cl)c3ccccc32)SC1=S 2672158 IXLXNUFIFGJKLU-ANZZGNCFSA-N 499.101 6.675 10 50 JKCA Oc1ccc(Cl)cc1CN1CCC(c2nnc(SC[C@@H]3CCCO3)n2Cc2ccccc2)CC1 11786837 PYOUCKCHTQLBTA-QHCPKHFHSA-N 499.080 5.336 10 50 JKCA Oc1ccc(Cl)cc1[C@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3cccs3)=NN21 13616708 KQPJDMCPQOMDIQ-OXJNMPFZSA-N 461.768 6.112 10 50 JKCA O=C1N=C(O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)N1c1ccccc1 13895624 JDNCHWVBCPMVFN-WJDWOHSUSA-N 482.246 5.124 10 50 JKCA O=C1/C(=C\c2cc([N+](=O)[O-])ccc2OCc2ccccc2F)SC(=S)N1c1ccccc1 15856520 XKNSSUNJKNRMND-FYJGNVAPSA-N 466.515 5.719 10 50 JKCA CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1c(C)nn(-c2ccc(Br)cc2)c1O 16671913 IIRBNGMPTWHMFF-ODLFYWEKSA-N 471.742 5.108 10 50 JKCA CCCCC1=NN2C(=N)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C(=O)N=C2S1 22241603 UEKHGIXUBDHGCT-JEGSZOCCSA-N 457.899 5.318 10 50 JKCA O=C1[C@H]2[C@@H](c3cc(Cl)cc(Cl)c3O)N(c3ccccc3)O[C@H]2C(=O)N1c1cccc(Cl)c1 137950939 DWROTSDKPAMJAG-QKNQBKEWSA-N 489.742 5.404 10 50 JKCA CCc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc(Cl)cc3Cl)C2=O)cc1 1218137 XIENKPFNXMSFQZ-WQRHYEAKSA-N 465.427 5.786 10 50 JKCA O=C1c2ccccc2C(=O)c2c(NCCc3ccc(O)cc3)ccc(NCCc3ccc(O)cc3)c21 3820899 UUJHFIBEJJLZBF-UHFFFAOYSA-N 478.548 5.182 10 50 JKCA in-vitro O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1cccc(Br)c1 13800721 ZZUVVGUZCUQPPF-YBEGLDIGSA-N 481.824 5.333 10 50 JKCA Cc1ccc(C)c(OCCOc2ccc(Br)cc2/C=C2\SC(=S)NC2=O)c1 15800454 IQSFYYLHWZSGMH-WQRHYEAKSA-N 464.406 5.013 10 50 JKCA CC(C)(C)c1cc(Br)cc(C2N(Cc3ccccc3)CCN2Cc2ccccc2)c1O 19321229 GLLPAUYZSMFDBH-UHFFFAOYSA-N 479.462 6.469 10 50 JKCA N=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N=C2SN=C(SCc3ccccc3)N12 31948307 OPGNZQVZLQBPHY-FZAWDKCWSA-N 489.538 5.365 10 50 JKCA CN(C)c1ccc(C(=O)O)cc1NC(=O)c1cc(/N=N/c2ccc(Cl)cc2)c2ccccc2c1O 4108439 WSRFEIHFPCYUNG-QVIHXGFCSA-N 488.931 6.631 10 50 JKCA COc1ccc(N2C(=O)N=C(O)/C(=C\c3cc(C)n(-c4ccccc4C(F)(F)F)c3C)C2=O)cc1 1152972 GLOAUWQWFDMUQZ-CPNJWEJPSA-N 483.446 5.628 10 50 JKCA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCC)C2=O)cc1F 16729844 WIKVOMOVCJQSHZ-JCMHNJIXSA-N 481.618 6.078 10 50 JKCA COc1ccc(C2=NN3[C@H](c4cc(Br)ccc4O)Oc4ccc(Cl)cc4[C@H]3C2)cc1 248257870 UIYHQXLOTCBVOF-OFNKIYASSA-N 485.765 6.059 10 50 JKCA CCOC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N3C[C@H]1CC=C[C@H]21 8435242 VAYWOFYVTSXXCF-KRKXHZOKSA-N 476.414 6.520 10 50 JKCA COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OC(=O)c1ccccc1F 16247261 KKBMQZVGHGOPLT-MOSHPQCFSA-N 499.972 6.113 10 50 JKCA CCc1ccc(OCCOc2ccc(Br)cc2/C=C2\SC(=S)N(CC)C2=O)cc1 22358340 MDWZQCZYWSQYLE-ZHZULCJRSA-N 492.460 5.690 10 50 JKCA COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)cc1F 33626111 UEPGJBSHKYHUST-PPRFWAEMSA-N 495.601 5.067 10 50 JKCA Cc1ccc(OS(=O)(=O)c2ccccc2)c(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1 2811810 MHTDTLJNBHOUQY-JCMHNJIXSA-N 481.620 5.164 10 50 JKCA CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccccc1C 2844012 XLKOVTSUNHPYSS-LFVJCYFKSA-N 461.608 6.379 10 50 JKCA Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1 13773669 VKRZGUFHCGYZMW-HMAPJEAMSA-N 457.580 5.842 10 50 JKCA Cc1ccc(Cl)cc1-n1c(C)cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c1C 15012840 RYYFWEPYORGYOH-JAIQZWGSSA-N 467.953 5.026 10 50 JKCA Cc1[nH]c2ccc(Br)cc2c1/C=C1\C(=O)N(CCC2=CCCCC2)C(=S)N=C1O 34234580 NAEMIOAFVDTVHU-PDGQHHTCSA-N 472.408 5.596 10 50 JKCA Oc1ccc(-c2csc(N3N=C4/C(=C/c5ccccc5)CCC[C@H]4[C@@H]3c3ccccc3)n2)cc1O 4257359 SAADEGLEQOIOKS-PBNOZDAWSA-N 479.605 7.022 10 50 JKCA CCOCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(C)c2)SC1=S 12614382 RZDFMYTYUSOUQU-XQNSMLJCSA-N 493.654 5.484 10 50 JKCA CCOc1cc(/C=C2/C(=O)N(Cc3ccccc3)C(=O)N=C2O)ccc1OCc1ccccc1Cl 16193591 KWQHRIMBQSGIJB-KGENOOAVSA-N 490.943 5.820 10 50 JKCA COc1cc(C2=NN3[C@@H](C2)c2ccccc2OC32CCN([C@H]3CCCc4ccccc43)CC2)ccc1O 227031253 DKFADJYGARCBKX-SVBPBHIXSA-N 495.623 5.814 10 50 JKCA CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)NCc4ccccc4Cl)c4ccccc34)[C@H]21 1775972358 XSEVBZDIHWLDKH-NDEPHWFRSA-N 499.014 5.148 10 50 JKCA O=C1/C(=C/c2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)SC(=S)N1c1ccccc1 3461436 CTWBVRQHAFBSOE-BKUYFWCQSA-N 482.970 6.233 10 50 JKCA CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)ccc1OCc1cccc(F)c1 22310678 AUKRTYHZUJRGBK-HAHDFKILSA-N 488.515 5.032 10 50 JKCA COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc(Cl)c1OCc1cccc(C)c1 2852203 DWXALFWGMCZHIC-OEAKJJBVSA-N 496.053 6.637 10 50 JKCA COc1cc(/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2C(F)(F)F)ccc1OCc1ccccc1 2946740 VTQKSCSJRRYGQN-MOSHPQCFSA-N 486.877 6.276 10 50 JKCA O=C1/C(=C/c2ccccc2OCCOc2ccccc2Cl)SC(=S)N1c1ccccc1 2977162 MLVSUPOLQMBMRX-JWGURIENSA-N 467.999 6.204 10 50 JKCA O=C1/C(=C\c2ccc(-c3ccc(Br)cc3)o2)SC(=S)N1c1cccc(O)c1 12139852 NVLZYLQBZXLBQR-WOJGMQOQSA-N 458.358 5.821 10 50 JKCA CCOc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3cccc(Br)c3)C2=O)cc1 16851985 XFAJXZAMOLKMQA-PDGQHHTCSA-N 491.432 5.078 10 50 JKCA COc1cccc(C(=O)N[C@H](c2ccc(OC)c(OC)c2)c2cc(Cl)c3cccnc3c2O)c1 1169779 NLLMJRZGZQUHSO-HSZRJFAPSA-N 478.932 5.139 10 50 JKCA O=C(CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1cccc(Br)c1 8763423 YABUTCKIBSSTOR-GHRIWEEISA-N 495.489 5.911 10 50 JKCA CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)cc(Br)c1OCc1cccc(C)c1 13941808 CXUQYDAGZJOHDZ-XDHOZWIPSA-N 492.460 5.956 10 50 JKCA Oc1c(Cl)cc(Cl)cc1[C@@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3cccs3)=NN21 25559514 OZLCZIAAFKXVTM-JXFKEZNVSA-N 451.762 6.656 10 50 JKCA COc1ccc2c(c1)[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)c1ccc(C(C)C)cc1)CCC2 1553583 DVYASSBBADJRAS-MUUNZHRXSA-N 456.630 6.538 10 50 JKCA in-vitro Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)o1 2988141 UNPHSTOINXMJSQ-YBFXNURJSA-N 456.932 6.222 10 50 JKCA COC(=O)COc1c(Cl)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1Br 16183259 YGBTYLMAZDISJY-OQLLNIDSSA-N 498.807 5.060 10 50 JKCA CN(C)c1ccc(-c2nc3cc(NC(=O)c4ccc(-c5ccc(Cl)cc5)o4)ccc3o2)cc1 22078980 BMGZALSZSZFPNJ-UHFFFAOYSA-N 457.917 6.727 10 50 JKCA CCOc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 22242056 PRLUHEAQAYZVOR-LICLKQGHSA-N 498.851 5.911 10 50 JKCA COC(=O)c1ccc(N2C(=O)/C(=C/c3cccc(OCc4ccccc4)c3)SC2=S)cc1 1910338 GOQWPXJFGRFLAC-JCMHNJIXSA-N 461.564 5.458 10 50 JKCA O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cc(-c3c(O)ccc4ccccc34)c(O)c3ccccc23)c1 8871912 YYMPGROLZMJWSX-UHFFFAOYSA-N 486.505 5.780 10 50 JKCA O=C1/C(=C/c2cccc(OCCOc3ccccc3Cl)c2)SC(=S)N1Cc1ccco1 22497130 VCQNBGXHJJNWBR-STZFKDTASA-N 471.987 5.792 10 50 JKCA CCCN1C(=O)c2ccccc2[C@H]1c1c([C@@H]2c3ccccc3C(=O)N2CCC)n(C)c2ccccc12 334163091 LJFMFQXCRHDGMO-NSOVKSMOSA-N 477.608 6.089 10 50 JKCA CC(C)CC(=O)O[C@@H]1[C@@H](N2CCCCC2)c2c(ccc(/C=C/C(=O)N3CCCCC3)c2O)OC1(C)C 1005030 IVCDQEWYXBNGOX-WXIBLPIPSA-N 498.664 5.074 10 50 JKCA biogenic CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N[C@@H](c2ccccc2)c2c(O)ccc3ccccc23)cc1 1746843 OXYIMXDCEYCTJD-HKBQPEDESA-N 495.663 7.544 10 50 JKCA CCOc1ccc(-c2c3c(c(-c4ccccc4)n2-c2ccc(N)cc2)C(=O)c2ccccc2C3=O)cc1 2927139 WEERAPDDVQNDHT-UHFFFAOYSA-N 484.555 6.568 10 50 JKCA COc1ccc(CN2C(=O)/C(=C/c3ccccc3OCc3cccc(F)c3)SC2=S)cc1 2938243 MJUVVUMKQLECNF-UCQKPKSFSA-N 465.571 5.815 10 50 JKCA COc1ccccc1OCCOc1c(Cl)cc(/C=C2/SC(=S)N(C)C2=O)cc1Cl 13898776 AKLLODCLSKQJQQ-GZTJUZNOSA-N 470.399 5.291 10 50 JKCA COc1cc(/C=C2/C(=O)N(c3ccc(OCc4ccccc4)cc3)C(=O)N=C2O)cc(Cl)c1O 15836809 TUAIHLIIKYDFBE-YBFXNURJSA-N 478.888 5.140 10 50 JKCA c1ccc(-c2ccc(/N=N/c3ccc(NCCCN4CCCCC4)c4c3CCCC4)cc2)nc1 59718747 YRVDRKJYRBGBMT-ULIFNZDWSA-N 453.634 7.331 10 50 JKCA CCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c([N+](=O)[O-])c2)SC1=S 2672565 STRGTPQTJGJNPW-STZFKDTASA-N 494.598 5.457 10 50 JKCA COc1ccccc1OCCOc1cccc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)c1 3001114 HNUVADFNEDWRNR-ULJHMMPZSA-N 477.607 5.867 10 50 JKCA COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OS(=O)(=O)c1ccccc1 3003141 VHYTYFHPIORSME-JCMHNJIXSA-N 497.619 5.177 10 50 JKCA N=C1/C(=C\c2cc(Cl)c(O)c(Cl)c2)C(=O)N=C2SC(SCCOc3ccccc3)=NN12 16267069 HPMGZKGLHWGFBX-QNHLIMGLSA-N 493.397 5.088 10 50 JKCA CC[C@H](C)c1ccc(OCCOc2ccc(Br)cc2/C=C2\SC(=S)NC2=O)cc1 13940034 XTIHNLAVUFYXSG-DABDWFRDSA-N 492.460 5.909 10 50 JKCA O=C1/C(=C2/C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)SC(=S)N1Cc1ccccc1 16700951 KXXBZJWVSSWPOF-DQRAZIAOSA-N 477.010 5.658 10 50 JKCA CCCCN1C(=O)/C(=C\c2cc(-c3ccc4ccccc4c3)nn2-c2ccccc2)SC1=S 4820496 XZAYPCSZFBEZQX-XIEYBQDHSA-N 469.635 6.694 10 50 JKCA COc1cccc(C[C@@H](C2CCN(Cc3cc(Cl)ccc3O)CC2)N(C)C(=O)c2ccccn2)c1 11815742 SGIBLQRFEOJDFY-SANMLTNESA-N 494.035 5.045 10 50 JKCA COc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3c2ccccc2O)cc1 239402525 QTJLUVSQPXYBGQ-REWPJTCUSA-N 451.320 5.406 10 50 JKCA CCN1C(=O)N=C(O)/C(=C\c2cn(CCCOc3ccccc3Cl)c3ccccc23)C1=O 2993688 CALUWWXSCXQEHY-NBVRZTHBSA-N 451.910 5.086 10 50 JKCA O=C1/C(=C/c2cn(CCOc3ccccc3)c3ccccc23)SC(=S)N1c1ccccc1F 3003501 LQSJVQBUQRFGDS-JLPGSUDCSA-N 474.582 6.265 10 50 JKCA CCN1C(=O)/C(=C/c2ccc(OCc3cccc(F)c3)c(Br)c2)SC1=S 3004273 DGLMDSOBYMJESZ-YVLHZVERSA-N 452.370 5.388 10 50 JKCA Cc1ccccc1C1=NN2C(=N)/C(=C/c3ccc(OCc4ccccc4F)cc3)C(=O)N=C2S1 15837930 QHPDHRRHEPBHAF-JRUOFFEZSA-N 470.529 5.381 10 50 JKCA COc1cccc(OCCCOc2c(Cl)cc(/C=C3/SC(=S)N(C)C3=O)cc2OC)c1 15857290 TYGMFPCQASOAGE-XDHOZWIPSA-N 480.007 5.036 10 50 JKCA CC[C@@H](C)c1ccc(OCCCOc2ccc(/C=C3/SC(=S)NC3=O)cc2OC)cc1 22257822 GBEZNOIMCFUWAF-QFNCUCFLSA-N 457.617 5.545 10 50 JKCA O=[N+]([O-])c1ccccc1N1CCN(C(=S)c2ccc(-c3ccc(Br)cc3)o2)CC1 22289212 GXMYAHXBUWLEBE-UHFFFAOYSA-N 472.364 5.115 10 50 JKCA Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)C2=O)c1 1165570 IBNLSFFCZBFPQI-IWIPYMOSSA-N 488.613 5.144 10 50 JKCA Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4cccc(F)c4)c3C)C2=O)cc1C 6432335 DOXWQKSPDGNXMG-FSJBWODESA-N 477.561 5.525 10 50 JKCA Cc1ccc(C)c(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c1 12615001 LOUOQUAZBIJOHN-STZFKDTASA-N 477.611 5.222 10 50 JKCA CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21c2ccccc2C(=O)N1N 16678669 WTDHTIVYKKLOTC-UHFFFAOYSA-N 456.590 5.106 10 50 JKCA Cc1ccc(COc2ccc(/C=C3/SC(=S)N(CCCCCC(=O)O)C3=O)cc2)cc1 20131444 FPPSMSXVUUCHHQ-RCCKNPSSSA-N 455.601 5.420 10 50 JKCA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC)C2=O)cc1C 13810169 RIHXVOONVPSOGI-JCMHNJIXSA-N 463.628 5.858 10 50 JKCA Cc1ccccc1CSc1nnc(CN(C)Cc2cc(Cl)ccc2O)n1C[C@H]1CCCO1 14990611 VCRXNBVCFDCFEJ-OAQYLSRUSA-N 473.042 5.049 10 50 JKCA CCN(CC)c1ccc(CN2CC[C@H]3[C@H](CCC(=O)N3Cc3cccc(C(F)(F)F)c3)C2)cc1 11880692 XBLROQVLLOJOOZ-RDGATRHJSA-N 473.583 5.565 10 50 JKCA O=C1/C(=C\c2cc([N+](=O)[O-])ccc2OCc2ccc(F)cc2)SC(=S)N1c1ccccc1 15856714 ABHZNOCNZKYHEW-FYJGNVAPSA-N 466.515 5.719 10 50 JKCA COc1cccc(OCCCOc2ccccc2/C=C2/SC(=S)N(c3ccccc3)C2=O)c1 15857128 QDTFYWRDZQVGMP-JJIBRWJFSA-N 477.607 5.949 10 50 JKCA COc1ccc(OCCOc2cccc(/C=C3\SC(=S)N(c4ccc(F)cc4)C3=O)c2)cc1 16193051 NHBGTEDPOZWOJT-KQWNVCNZSA-N 481.570 5.698 10 50 JKCA CN(C)c1ccc([C@@H]2C3=C(N=C4N=CNN42)c2cc(Cl)ccc2O[C@@H]3c2ccc(Cl)cc2)cc1 25577971 HHRBSXWNMOTCSX-JWQCQUIFSA-N 490.394 5.864 10 50 JKCA O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC(=S)N1Cc1ccco1 2532824 MDOLRCFDHSDJIQ-BKUYFWCQSA-N 477.998 6.187 10 50 JKCA Cc1ccc(NC2=NC(=O)/C(=C/c3ccc(N(C)C)c(Br)c3)S2)cc1Cl 2899887 KFSNWWHBMVWBOZ-MFOYZWKCSA-N 450.789 5.559 10 50 JKCA CCOc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Br)c1OCc1ccccc1Cl 2964200 ZJXZGJOQINCWFB-LICLKQGHSA-N 498.851 5.911 10 50 JKCA O=C(COc1ccccc1)N[C@H](c1ccc(Cl)cc1Cl)c1c(O)ccc2ccccc12 2979004 UFCHRFCCAJOLOA-RUZDIDTESA-N 452.337 6.137 10 50 JKCA CCCCOC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccc(C)cc3)SC2=S)cc1 8714023 PPLNLRHGXNEEAS-XLNRJJMWSA-N 496.654 5.572 10 50 JKCA O=C(CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1cccc(Br)c1 13810238 MVMMQTOOCOTQAP-BOPFTXTBSA-N 495.851 5.723 10 50 JKCA Cc1ccccc1COc1ccc([N+](=O)[O-])cc1/C=C1\SC(=S)N(c2ccc(F)cc2)C1=O 16192897 NSCCLVWQWCYFMS-XKZIYDEJSA-N 480.542 6.027 10 50 JKCA CCOC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2 35349199 PPYMPWKTHJMRHA-SWYRRKHMSA-N 484.508 5.817 10 50 JKCA CCOCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2C)SC1=S 2833005 FDSRKRXXICEJBA-KQWNVCNZSA-N 493.654 5.484 10 50 JKCA O=C(CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccccc1[N+](=O)[O-] 8763432 HEHIOBQBLVGJCT-GHRIWEEISA-N 461.590 5.057 10 50 JKCA COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Cl)c1OCCOc1cc(C)cc(C)c1 15800557 GSDRXLOQIRWJIQ-UNOMPAQXSA-N 464.008 5.254 10 50 JKCA COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C3CCCCC3)C2=O)c(C)c1 22309918 APJPGTOAVCLLQT-LFVJCYFKSA-N 489.666 6.390 10 50 JKCA CC1=NN(c2ccc(I)cc2)C(=O)/C1=C/c1ccc(-c2ccccc2C(=O)O)o1 100871861 YLTTVGBZIDMOGC-XDHOZWIPSA-N 498.276 5.056 10 50 JKCA COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OC(=O)c1ccccc1Cl 13939971 NQANDNUFVLZXSJ-HMAPJEAMSA-N 496.009 5.969 10 50 JKCA CCOc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Cl)c1OCCCOc1ccccc1OC 22257546 AKYRJKKTETXPPZ-XSFVSMFZSA-N 494.034 5.426 10 50 JKCA CCOc1cc(CNc2ccc(O)cc2)cc(Br)c1OCc1ccc(Cl)cc1 2160123 ZDLYMSMXLGILBX-UHFFFAOYSA-N 462.771 6.398 10 50 JKCA Cc1ccc(C)c(OCCOc2ccc(Br)cc2/C=C2\SC(=S)N(C)C2=O)c1 8915936 JEBFGASJUFZMCS-UNOMPAQXSA-N 478.433 5.355 10 50 JKCA CC(C)(C)c1ccc(Sc2cc3c(c(N4CCCCC4)c2)C(=O)c2ccccc2C3=O)cc1 4007956 HPRPURUGZQJVJE-UHFFFAOYSA-N 455.623 6.901 10 50 JKCA COc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Cl)c1OCc1c(Cl)cccc1Cl 13893240 MEHNSKAEHCHQHE-LZYBPNLTSA-N 474.818 6.065 10 50 JKCA CCCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCCC)cc2)SC1=S 33939209 FYPZYOCKZQOICK-HKOYGPOVSA-N 491.682 6.720 10 50 JKCA O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C\c1ccc(-c2ccc(Br)cc2)o1 2312694 HIRWPTUZFKEUBX-JWGURIENSA-N 494.414 5.502 10 50 JKCA COc1cc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)ccc1OC(=O)c1cccs1 2833969 AWXXNMMCNDVBSB-MOSHPQCFSA-N 483.592 5.390 10 50 JKCA CCN(CC)c1ccc2c(c1)OC1=N[C@@H](c3ccc(OC)cc3)n3c(nc4ccccc43)C1=C2 8817709 ROWRZTDMBSSXIL-AREMUKBSSA-N 450.542 5.783 10 50 JKCA CCOc1cc(/C=C2\C(=O)N(c3cccc(C(=O)O)c3)N=C2C)cc(Cl)c1OCc1ccccc1 16156243 JIPNXCWRNQMBHA-UUYOSTAYSA-N 490.943 5.822 10 50 JKCA O=c1oc2c(CN3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@@H]56)[C@@H]43)c(O)ccc2cc1-c1ccccc1 886025675 SHOQQOZZKQPSPH-AECHJOTKSA-N 482.624 5.561 10 50 JKCA Cc1cccc(OCCOc2ccc(/C=C3\SC(=S)N(c4ccc(F)cc4)C3=O)cc2)c1 16192714 RGSLFYNENAWKRU-KQWNVCNZSA-N 465.571 5.998 10 50 JKCA CCOc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Cl)c1OCCCOc1cccc(OC)c1 22257532 NGUSDVUWJVNJSY-DEDYPNTBSA-N 494.034 5.426 10 50 JKCA COc1ccc(N2CCN(C(=S)c3ccc(OCc4ccc(C)cc4)c(OC)c3)CC2)cc1 1078514 KLFASITZRYIZOV-UHFFFAOYSA-N 462.615 5.089 10 50 JKCA Cc1cc2nnc(SCC(=O)c3cc(C)n(-c4ccc(Cl)cc4)c3C)n2c2ccccc12 1895612 LZUGBTZAAUIREO-UHFFFAOYSA-N 460.990 6.227 10 50 JKCA Cc1ccc(C2=NN3C(=N)/C(=C/c4ccc(OCc5ccccc5)cc4)C(=O)N=C3S2)cc1 4642194 AMJXAUAZQPSRQF-KLUMOMIWSA-N 452.539 5.241 10 50 JKCA O=C(Nc1cccc(F)c1)c1ccc2c(c1Sc1ccccc1)C(=O)c1ccccc1C2=O 12376849 NAMCQJQWTFFLJH-UHFFFAOYSA-N 453.494 6.005 10 50 JKCA CC(C)CN1C(=O)/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)SC1=S 2819036 FAQABGOWSNPMOL-GRSHGNNSSA-N 462.980 5.684 10 50 JKCA CCCN1C(=O)/C(=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)c2cc(Br)ccc21 16730048 JRWPOWGZLHXVDX-UNQMGURYSA-N 487.444 5.538 10 50 JKCA COc1ccccc1OCCOc1ccc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc1 12285304 FEDMOHMUKCJHJK-XEQYNKKRSA-N 497.576 5.457 10 50 JKCA Cc1ccc(N2C(=O)N=C(O)/C(=C/c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)C2=O)cc1 13571082 ZQYLNQZEGXHYBM-ODLFYWEKSA-N 468.340 6.216 10 50 JKCA CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc(N)c(N)cc21 43943090 LJSMMWFTVBPRDS-UHFFFAOYSA-N 472.589 5.111 10 50 JKCA in-vitro Cc1ccc(SCC2=NN(c3nc4ccccc4s3)C(=O)/C2=C/NCc2cccnc2)cc1 100629780 KPMNJTZSYLOBHI-HMMYKYKNSA-N 471.611 5.168 10 50 JKCA CCCN1C(=O)c2ccccc2[C@@H]1c1c([C@H]2c3ccccc3C(=O)N2CCC)n(C)c2ccccc12 334163092 LJFMFQXCRHDGMO-VSGBNLITSA-N 477.608 6.089 10 50 JKCA O=C1c2ccccc2C(=O)c2c1cccc2-c1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)o1 16677526 KVCBTEUDFUJUTR-HZHRSRAPSA-N 493.565 6.128 10 50 JKCA CCCCCCN1C(=O)/C(=C2\SC(=S)N(c3cc(OC)ccc3OC)C2=O)c2ccccc21 1808666 PZLNKONROUOVSW-DQRAZIAOSA-N 482.627 5.407 10 50 JKCA CN(C)c1ccc(C(=O)O)cc1NC(=O)c1cc(/N=N/c2ccccc2)c2ccccc2c1O 4044752 OVOWSCGXQRWLJU-ZQHSETAFSA-N 454.486 5.977 10 50 JKCA Cc1ccc(S(=O)(=O)Oc2cccc(/C=C3\SC(=S)N(c4ccccc4C)C3=O)c2)cc1 16193134 VXEWYFPAQVSXQW-JCMHNJIXSA-N 481.620 5.477 10 50 JKCA COc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1O[C@@H](C)c1ccccc1 16193165 AALWNHHXABKSOG-VBHMAFOESA-N 465.571 6.380 10 50 JKCA COc1cc(-c2c3cn[nH]c3nc3c2oc2c(O)c(O)ccc23)ccc1OCc1ccc(C(C)C)cc1 217658088 UCDWFWHTCANRSS-UHFFFAOYSA-N 495.535 6.647 10 50 JKCA biogenic CCN(CC)c1ccc(/C=C2/SC(=S)N(C(=O)c3ccccc3Br)C2=O)cc1 408822144 GUXLOBPCQCFPNO-QGOAFFKASA-N 475.433 5.337 10 50 JKCA O=C(O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(/N=N/c4ccccc4)cc2)C3=O)c1 8895583 ZCTSXRRAYDSUNQ-NVQSTNCTSA-N 490.475 5.853 10 50 JKCA COc1cccc(OCCCOc2cccc(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)c2)c1 15857222 IOYGVRCOKWHSBM-KOEQRZSOSA-N 491.634 5.945 10 50 JKCA O=C1/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(O)=NC(=S)N1c1cccc(Br)c1 17045028 AWGGUJXPOMWILD-GZTJUZNOSA-N 498.314 5.289 10 50 JKCA O=[SH](=O)c1cc([SH](=O)=O)c2c(/N=N\c3ccc(/N=N\c4ccccc4)cc3)c(O)ccc2c1 238791342 OISMZZALJQNNIG-RUFRKCMOSA-N 480.527 5.317 10 50 JKCA CCc1ccc(N2C(=O)/C(=C/c3ccc(OC(=O)c4ccco4)c(OC)c3)SC2=S)cc1 1136416 ASLCPOPWARLAIU-STZFKDTASA-N 465.552 5.476 10 50 JKCA Cc1ccccc1N1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2OCc2ccccc2F)SC1=S 3001196 GWMFFTTWKSXMGD-XKZIYDEJSA-N 480.542 6.027 10 50 JKCA O=C1/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)SC(=S)N1c1ccccc1F 3003685 VSGACYLGAAFWQP-QRVIBDJDSA-N 489.553 6.143 10 50 JKCA CCCCN1C(=O)/C(=C\c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)SC1=S 4820508 JEQQOILJBLINTK-RCCKNPSSSA-N 454.020 6.194 10 50 JKCA COc1ccccc1OCCOc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1 9704320 XFRAMZKWELEMAL-ULJHMMPZSA-N 477.607 5.554 10 50 JKCA CCN1CCN(Cc2c(O)ccc3c(=O)c(Oc4ccccc4Cl)c(C(F)(F)F)oc23)CC1 19793026 XJDRDFDVHUZYIA-UHFFFAOYSA-N 482.886 5.101 10 50 JKCA O=[N+]([O-])c1ccccc1N1CCN(C(=S)c2ccc(-c3cccc(Cl)c3Cl)o2)CC1 8845882 PKXDXVYRLMWBSU-UHFFFAOYSA-N 462.358 5.659 10 50 JKCA CN1CCN(Cc2c(O)ccc3c(=O)c(Oc4ccc5ccccc5c4)c(C(F)(F)F)oc23)CC1 19681949 LSSXWAJGUWNSMR-UHFFFAOYSA-N 484.474 5.210 10 50 JKCA Cc1cccc(C)c1OCCOc1ccc(Br)cc1/C=C1\SC(=S)N(C)C1=O 22241923 NBFCGHIVKYQWOU-PDGQHHTCSA-N 478.433 5.355 10 50 JKCA Oc1ccc(Cl)cc1[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc4ccccc4c3)=NN12 25577248 JJBMMVFNUIDPEW-BVAGGSTKSA-N 461.348 7.095 10 50 JKCA COc1cc(/C=C2/C(=O)N(c3ccc(Cl)c(C(=O)O)c3)N=C2C)ccc1OC(=O)c1cccs1 100764935 SAHKSEFQZXLSHC-MHWRWJLKSA-N 496.928 5.134 10 50 JKCA Cc1cc(C(=O)CSc2nnc3sc4ccccc4n23)c(C)n1-c1ccc(F)c(Cl)c1 719369 QNBFYWALOXLVKY-UHFFFAOYSA-N 470.982 6.119 10 50 JKCA CCCCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccc(OC)cc4)C3=O)o2)cc1 2992140 VXJXGBRZCQHNIJ-XQNSMLJCSA-N 493.606 6.318 10 50 JKCA CCN1C(=O)/C(=C\c2cn(CCCOc3ccc(Cl)cc3)c3ccccc23)SC1=S 6353567 ZGGGGEXNSJMAPC-KGENOOAVSA-N 457.020 5.985 10 50 JKCA O=C1N=C(O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)N1c1ccc([N+](=O)[O-])cc1 16156419 DBKLGOGRECKKFP-FYJGNVAPSA-N 477.860 5.334 10 50 JKCA CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)N3CCCc4ccccc43)C2=O)cc1 16872850 JGWAICOXASKBQI-XLNRJJMWSA-N 450.629 5.210 10 50 JKCA COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cc(Br)ccc2O)cc1OC 19878911 XEFWSPCECPMBCB-NTKDMRAZSA-N 481.346 5.414 10 50 JKCA O=C1/C(=C/c2ccc(OCCOc3ccccc3Cl)cc2)SC(=S)N1c1ccccc1F 3001059 MBCPTHLSPIIQHV-JCMHNJIXSA-N 485.989 6.343 10 50 JKCA CO[C@H]1[C@H](NC(=O)Cc2cccs2)c2ccccc2C12CCN(Cc1cc(Cl)ccc1O)CC2 11909244 OAMQQRMWSDCULC-FTJBHMTQSA-N 497.060 5.070 10 50 JKCA COc1cc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)ccc1OCc1ccccc1F 15010815 JAFWGVQYOFGVDA-UUYOSTAYSA-N 466.559 5.210 10 50 JKCA CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C(C)C)C2=O)cc1[N+](=O)[O-] 2533047 YUAOCVYBKLNCJU-BKUYFWCQSA-N 494.598 5.456 10 50 JKCA Cc1ccc(S(=O)(=O)Oc2cccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)c2)cc1 2965956 VVXIXTUNIGJWNQ-RCCKNPSSSA-N 467.593 5.169 10 50 JKCA CCCCN1C(=O)/C(=C\c2cc(-c3cccc([N+](=O)[O-])c3)nn2-c2ccccc2)SC1=S 4820505 YXJKMGYMQPMNCD-RCCKNPSSSA-N 464.572 5.449 10 50 JKCA CCOC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N3C[C@H]1CC=C[C@@H]21 101837724 VAYWOFYVTSXXCF-PLNGWDEDSA-N 476.414 6.520 10 50 JKCA COc1c(Cl)cc(Cl)cc1[C@H]1N=NC(C2C(=O)c3ccccc3C2=O)=C[C@@H]1c1ccccc1 136949464 IOTIIRMKYFXSFM-JPYJTQIMSA-N 477.347 6.872 10 50 JKCA O=c1c(-c2cccc(Cl)c2)c(C(F)(F)F)oc2c(CN3CCCCCC3)c(O)ccc12 1747731 JVMBPWFYVSUKDT-UHFFFAOYSA-N 451.872 6.214 10 50 JKCA CCOc1ccc(-c2c3c(c(-c4ccccc4)n2-c2ccccc2N)C(=O)c2ccccc2C3=O)cc1 2250468 VWUSWBRWVSPOJA-UHFFFAOYSA-N 484.555 6.568 10 50 JKCA CCCCC1(C)OC(=O)C(=Cc2ccc(OCc3ccccc3)c(Br)c2)C(=O)O1 16637737 VCNXIJVSGNBAGJ-UHFFFAOYSA-N 459.336 5.418 10 50 JKCA O=C(O)[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)SC1=S 32694366 NFNCRYJJVRVYMC-QJUACMODSA-N 496.009 5.946 10 50 JKCA COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)cc1C 33783238 ADNBPPLQADBJOR-KURUZVKSSA-N 491.638 5.237 10 50 JKCA O=C(O)CCCCCCCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S 11565509 DUXYOSBLTBOEQB-AQTBWJFISA-N 474.475 6.790 10 50 JKCA CCN(CC)c1ccc(C=C2C(=O)N(c3ccc(C)cc3)C(=S)N(c3ccc(C)cc3)C2=O)cc1 2932394 IFOAMTUKPLUAAX-UHFFFAOYSA-N 483.637 5.898 10 50 JKCA CCN1C(=O)/C(=C\c2ccc(OCCCOc3c(C)cccc3C)c(OC)c2)SC1=S 6470503 PTOOQTLKXQBMGP-RCCKNPSSSA-N 457.617 5.381 10 50 JKCA COc1ccc(CN(C)C2CCN(c3cccc(NC(=O)c4ccccc4OC)c3)CC2)cc1OC 14888452 VNBOQNMDMNXHRF-UHFFFAOYSA-N 489.616 5.066 10 50 JKCA COc1cc(/C=C2/C(=O)N(Cc3ccccc3)C(=O)N=C2O)cc(Cl)c1OCc1ccccc1C 16193473 ZXUAEBWTYRFEBD-CIAFOILYSA-N 490.943 5.738 10 50 JKCA CCCCCN1C(=O)/C(=C2/C(=O)N(CCCCC)c3ccc(Br)cc32)SC1=S 16730965 IGZLQKNDXIMBJL-ZCXUNETKSA-N 481.481 5.748 10 50 JKCA COC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OCc4ccccc4F)cc3)c2C)C1=O 1137644 CMFQURUSOSLAJV-YDZHTSKRSA-N 494.544 5.022 10 50 JKCA CCc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3cccc(Br)c3)C2=O)cc1 1217835 ZSRQQAOQCRKTSL-PDGQHHTCSA-N 475.433 5.242 10 50 JKCA CCN1C(=O)/C(=C/c2cc(OC)ccc2OCc2ccc(Cl)cc2Cl)SC1=S 2811712 DITJYLBCAIFEPS-NVMNQCDNSA-N 454.400 5.802 10 50 JKCA O=C(O)c1cccc(COc2ccccc2/C=C2/C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2O)c1 16213198 HPEMLJYIPOYOBU-DEDYPNTBSA-N 476.872 5.124 10 50 JKCA Oc1ccc(Cl)cc1[C@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc4ccccc4c3)=NN21 25577254 JJBMMVFNUIDPEW-ZEQKJWHPSA-N 461.348 7.095 10 50 JKCA Cc1ccc(S(=O)(=O)Nc2cc(Sc3nc(C)cc(C)n3)c(O)c3ccccc23)cc1 856437 AGMSNBDMTHUJOV-UHFFFAOYSA-N 451.573 5.213 10 50 JKCA CC(C)(C)c1cc(Br)cc(C2N(c3ccccc3)CCN2c2ccccc2)c1O 2496327 LVTBPRUENADJFB-UHFFFAOYSA-N 451.408 6.478 10 50 JKCA COc1ccc2c(c1)S[C@H](c1ccccc1OC)CCN2Cc1ccc(OCCO)cc1 12338039 VSPVAXCZODFHQQ-VWLOTQADSA-N 451.588 5.319 10 50 JKCA Cc1c(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c2ccccc2n1CCOc1ccccc1 15856311 CXEXAQLYQFDTDW-HISPNANNSA-N 497.502 5.210 10 50 JKCA CCC1=NN2C(=N)/C(=C\c3cn(CCCOc4cccc(OC)c4)c4ccccc34)C(=O)N=C2S1 16212473 YYDKWTHGFIXMKW-RWYGKYMDSA-N 487.585 5.148 10 50 JKCA Cc1ccc(CN2C(=O)/C(=C3\SC(=S)N([C@@H](C)c4ccccc4)C3=O)c3ccccc32)cc1 16805327 QJSGCHBLUQUWOI-XZSMOWGESA-N 470.619 5.874 10 50 JKCA COc1cccc(CNCCCCCCCCCCCCNCc2cccc(OC)c2O)c1O 19880871 LDDXZARETFOMLN-UHFFFAOYSA-N 472.670 5.895 10 50 JKCA Cc1cc(/C=C2/C(=O)N(c3ccccc3)C(=O)N=C2O)c(C)n1-c1ccccc1C(F)(F)F 1155351 INULKNXPEQLFSR-QGOAFFKASA-N 453.420 5.620 10 50 JKCA O=C(COc1ccc(Cl)cc1Cl)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12 1782205 YBRXVWSYIAYLSF-RUZDIDTESA-N 452.337 6.137 10 50 JKCA O=C(O)CCCCCCCCCCN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)SC1=S 12032251 VVNYEVFVQPJEGW-OBGWFSINSA-N 450.582 5.392 10 50 JKCA CC[C@@H](C)N1C(=O)/C(=C2/C(=O)N(Cc3ccccc3)c3ccc(Br)cc32)SC1=S 16731861 RRLBWFUHFHMWBN-LTFJSZEESA-N 487.444 5.366 10 50 JKCA CC[C@@H](C1=NN2C(=N)/C(=C\c3ccc(-c4cccc(C(=O)O)c4)o3)C(=O)N=C2S1)c1ccccc1 20058024 PAZGILBXCIEMSE-ZYONOYIQSA-N 484.537 5.458 10 50 JKCA O=C1/C(=C\c2cccc(Br)c2)SC(=S)N1C(=O)c1ccccc1Br 408822874 ZZRQJZPJPYMSDP-NTEUORMPSA-N 483.206 5.253 10 50 JKCA O=C(CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)NC1CCCCCCC1 888104811 ODPOFKMRASYOAX-UHFFFAOYSA-N 468.601 5.194 10 50 JKCA O=[N+]([O-])c1cccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4F)cc3[C@@H]3C=CC[C@@H]32)c1 869705 NMPCNLTVYJUYKI-IMWIBFENSA-N 465.506 5.361 10 50 JKCA CCOC(=O)Cn1cc(/C=C2/C(=O)N(c3cccc(Cl)c3Cl)C(=O)N=C2O)c2ccccc21 2827832 NVXDSRYRJPNFMB-XNTDXEJSSA-N 486.311 5.018 10 50 JKCA CC[C@H]1CCCCN1Cc1c(O)ccc2c(=O)c(-c3ccccc3OC)c(C(F)(F)F)oc12 4290007 KBEDTBQFKKWVJW-HNNXBMFYSA-N 461.480 5.958 10 50 JKCA biogenic COc1ccc(O)c(CN2CCC([C@H](Cc3ccccc3F)N(C)C(=O)c3cccs3)CC2)c1 14881218 IFUKWZYBHCRQSI-DEOSSOPVSA-N 482.621 5.197 10 50 JKCA CCOc1cc(Br)c(/C=C2\SC(=S)N(Cc3ccc(OC)cc3)C2=O)cc1OC 16115978 QCVPKZYSVCEDJI-GRSHGNNSSA-N 494.432 5.266 10 50 JKCA Cc1cc(/C=C2/C(=O)N(Cc3ccccc3Cl)C(=O)N=C2O)c(C)n1-c1cccc([N+](=O)[O-])c1 16266801 OVLLCANZXQPQGM-RGVLZGJSSA-N 478.892 5.158 10 50 JKCA CC(=O)c1ccc(NC(=O)CCCCCN2C(=O)/C(=C\c3cccs3)SC2=S)cc1 8951589 FMRLKMHEBUGBSG-XMHGGMMESA-N 458.630 5.351 10 50 JKCA COC(=O)c1c(C)sc(C(c2cccc(Cl)c2)c2sc(C)c(C(=O)OC)c2O)c1O 12372139 ZSKZSUYBHQRUJO-UHFFFAOYSA-N 466.964 5.244 10 50 JKCA CCOc1cc(/C=C2/C(=O)NN(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCc1ccccc1 16688627 HSWVXVBEHNDOMN-JAIQZWGSSA-N 497.378 5.741 10 50 JKCA CC[C@H](C)c1ccccc1OCCCOc1c(/C=C2/SC(=S)NC2=O)cccc1OC 22257594 HRGZTUCTIKMYQA-WASCAKKMSA-N 457.617 5.545 10 50 JKCA CCCCOc1ccc(/C=C2/SC(N3CCN(c4ccc(Cl)cc4)CC3)=NC2=O)cc1 2315565 IEXFWVDSKQMENV-OQKWZONESA-N 456.011 5.311 10 50 JKCA O=C(CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1cc(Cl)cc(Cl)c1 2381808 QUYBHFGGKBBDJH-SFQUDFHCSA-N 485.483 6.455 10 50 JKCA O=c1c(Oc2ccc3ccccc3c2)c(C(F)(F)F)oc2c(CN3CCCC3)c(O)ccc12 6150064 ZXNIDSCLKWRFBS-UHFFFAOYSA-N 455.432 6.059 10 50 JKCA Cc1ccc(N2C(=O)N=C(O)/C(=C\c3ccccc3OCc3ccc(C(=O)O)cc3)C2=O)cc1C 13809753 WPANNHIHSDCIGZ-HYARGMPZSA-N 470.481 5.087 10 50 JKCA CCOc1cc(/C=C2/SC(=S)NC2=O)cc(Br)c1OCc1ccc(F)cc1 15769238 OHUWLSBBLYMGTM-CXUHLZMHSA-N 468.369 5.055 10 50 JKCA Cc1cc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(F)cc1 1143519 ZNCNOBPVQDAVKF-CIAFOILYSA-N 468.326 5.089 10 50 JKCA CCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(C)c(F)c2)SC1=S 16729820 XQQXBROYFHXQRT-STZFKDTASA-N 451.592 5.988 10 50 JKCA Cc1cc(C)c(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CC(C)C)C2=O)c(C)c1 2666929 CANLKSNAGNMGCZ-LPYMAVHISA-N 461.656 6.322 10 50 JKCA COc1cc(/C=C2/SC(=S)NC2=O)cc(Br)c1OCCOc1ccc(C)c(C)c1 2998921 HABYYQHIMIISHD-WOJGMQOQSA-N 494.432 5.021 10 50 JKCA Cc1ccc(-c2csc(N3N=C(c4ccccc4)/C(=C\c4ccc(N(C)C)cc4)C3=O)n2)cc1 8440091 ZWVNMDDIGJJGNI-JJIBRWJFSA-N 464.594 6.019 10 50 JKCA CCCC[C@H](CC)CN1C(=O)/C(=C2/C(=O)N(Cc3ccc(C)cc3)c3ccccc32)SC1=S 16805325 SCGUKRQILUUHTL-OAFDPHIXSA-N 478.683 6.330 10 50 JKCA CN1/C(=C/C=C(/C=C/c2ccc3ccccc3[n+]2C)c2nc3ccccc3s2)C=Cc2ccccc21 685944468 PDJLNQUNSVFFKP-UHFFFAOYSA-N 484.648 7.418 10 50 JKCA COc1ccc(N2CCN(C(=O)c3sc4cc(Cl)ccc4c3Cl)CC2)c([N+](=O)[O-])c1 16215613 UZZYBRRIQFXFFJ-UHFFFAOYSA-N 466.346 5.087 10 50 JKCA Cc1cc(/C=C2/NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(Br)cc1 1167755 OBKPRDCGCJLKPK-CIAFOILYSA-N 484.781 5.603 10 50 JKCA COc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Br)c1OCc1ccc(C)cc1 13940285 KOPWUPQAACLIMO-LICLKQGHSA-N 464.406 5.176 10 50 JKCA CCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC)c(C)c2)SC1=S 33352646 HPZVRRDZTGTRCH-PXLXIMEGSA-N 463.628 5.858 10 50 JKCA O=C1/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)SC(=S)N1Cc1ccco1 1137291 AVKUCRVXWMIBMS-JAIQZWGSSA-N 486.958 5.822 10 50 JKCA CCOc1cc(/C=C2\SC(=S)NC2=O)cc(Cl)c1OCCOc1ccc(C)cc1C 15800262 JHTRMRCULMSYKO-UNOMPAQXSA-N 464.008 5.302 10 50 JKCA Cc1ccc(NC(=O)COc2cccc(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)c2)cc1C 2833629 XNIKQLVMMKJFOQ-BUVRLJJBSA-N 488.634 5.722 10 50 JKCA O=C1N=C(O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1c1ccc(Br)cc1 9043348 JVXSSFXDYHUNHZ-BOPFTXTBSA-N 482.246 5.124 10 50 JKCA Cc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccccc3C(F)(F)F)C2=O)cc1 13809726 KDNIWGNQOVGTEO-ATVHPVEESA-N 450.507 5.244 10 50 JKCA COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2O)o1 15745945 VPNHAYPTFCSXQB-GZTJUZNOSA-N 467.821 5.024 10 50 JKCA O=C1c2ccccc2C(=O)c2cc3c(cc21)N[C@@H]1CC[C@@H]2[C@@H]4CCCC[C@@H]4C(=O)[C@@H]4CC[C@@H]3[C@H]1[C@@H]42 247756658 WVSXJYGUVHEAPF-FJRYGKDXSA-N 465.593 5.781 10 50 JKCA O=C1N=C(O)/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N1Cc1ccccc1 1161889 QRLPTODCBPZLIY-OEAKJJBVSA-N 480.480 5.100 10 50 JKCA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@@H](C)CC)C2=O)cc1C 2369645 MZQOUTHVZKVBCP-UZXDDYOISA-N 491.682 6.636 10 50 JKCA CCCC[C@@H](CC)CN1C(=O)/C(=C2/C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)SC1=S 2672152 YJODSTZKMJCQRM-LBNMDVIHSA-N 499.101 6.675 10 50 JKCA O=C(Oc1cccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c1)c1ccccc1Cl 2822262 RTNNBWZQRRLWCQ-ZHZULCJRSA-N 451.956 5.965 10 50 JKCA Cc1ccccc1COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=S)N(Cc2ccccc2)C1=O 2852051 HVOHTQMKGGRJOR-OEAKJJBVSA-N 476.579 5.884 10 50 JKCA O=C(O)[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S 8763368 NNXCPTRKZRTVNV-WAGPWIPHSA-N 490.389 6.281 10 50 JKCA CCCCCN1C(=O)/C(=C2\SC(=S)N(c3cc(OC)ccc3OC)C2=O)c2ccccc21 1808663 JCKZVYXOIQGYNZ-MRCUWXFGSA-N 468.600 5.017 10 50 JKCA CCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC1=S 2672573 BTRJBTPRWNVFIU-ZHZULCJRSA-N 454.020 6.194 10 50 JKCA COc1ccc2c(c1)S[C@@H](c1ccc(OC)c(C)c1)CCN2Cc1ccc(OCCO)cc1 12243528 HJPZHARQLCMQGI-AREMUKBSSA-N 465.615 5.627 10 50 JKCA N=C1/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C(=O)N=C2SC(COc3ccccc3)=NN12 12285313 IVILSLANMKDZCX-ODUHAEHHSA-N 491.576 5.388 10 50 JKCA Cc1cc(CN2CCN(C/C=C/c3ccccc3)CC2)c(C)n1-c1cccc(C(F)(F)F)c1 22454648 UCFWLBMXXKSAQU-JXMROGBWSA-N 453.552 5.944 10 50 JKCA COc1cc(OC)c(/C=C2\SC(Nc3ccc(C)c(Cl)c3)=NC2=O)cc1Br 1200218 WNVXWIJIPXDILP-IDUWFGFVSA-N 467.772 5.511 10 50 JKCA O=C(CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1cccc(C(F)(F)F)c1 2374894 PAITTWHQHCNPCS-BOPFTXTBSA-N 484.952 5.979 10 50 JKCA COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C(C)C)C2=O)cc1OC 2533025 UEFFLTOZKUBBAH-BKUYFWCQSA-N 465.600 5.166 10 50 JKCA COCCN1C(=O)/C(=C/c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)SC1=S 2938817 NFRJFWOPTGJNGB-WQRHYEAKSA-N 498.851 5.529 10 50 JKCA COc1ccc([N+](=O)[O-])c2c1N[C@H](c1cc(Br)c(OC)c(OC)c1)[C@@H]1CC=C[C@@H]21 12628368 JNHSTODHMNAQFW-VLXJIEOASA-N 461.312 5.210 10 50 JKCA COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1 13940516 FYWDNWATWOXDCG-HYARGMPZSA-N 482.026 6.329 10 50 JKCA CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2cccc([N+](=O)[O-])c2)N3)cc1 14471782 DNXTXNYDHDNNII-PLXFJCCSSA-N 491.569 5.621 10 50 JKCA CCOC(=O)CN1[C@H](c2ccccc2O)Nc2ccc(Br)cc2[C@H]1c1ccccc1 239433544 XYBDVWYCNDIFCS-DNQXCXABSA-N 467.363 5.234 10 50 JKCA O=C1/C(=C/c2ccc(OS(=O)(=O)c3ccccc3)c(Cl)c2)SC(=S)N1c1ccccc1 2823920 LKOGQTCZLHYJIP-ZHZULCJRSA-N 488.011 5.514 10 50 JKCA O=C1/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(O)=NC(=S)N1c1ccc(Br)cc1 2936152 KOTGBDYCXPNOBQ-GZTJUZNOSA-N 498.314 5.289 10 50 JKCA COc1ccc(C2=NN(C(=O)c3ccccc3)[C@H](c3ccc(Br)cc3)C2)c(O)c1 9191909 FQMXDTFFQHYOFE-NRFANRHFSA-N 451.320 5.155 10 50 JKCA Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2/C(=O)N(c3cccc(Br)c3)C(=O)N=C2O)o1 15799458 CLLDKRMIDVGSPA-WOJGMQOQSA-N 495.285 5.222 10 50 JKCA Cc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=S)N=C2O)c(C)n1-c1ccc(Cl)cc1 1150864 HEYFDNQWMDTPNM-UDWIEESQSA-N 453.926 5.558 10 50 JKCA O=C1/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC(=S)N1Cc1ccccc1 13809877 AXLVUZKVVVANLN-YBFXNURJSA-N 456.932 5.910 10 50 JKCA CCCc1ccc(Oc2c(C(F)(F)F)oc3c(CN4CCOCC4)c(O)ccc3c2=O)cc1 19793904 YXUPIQGZLLKWRA-UHFFFAOYSA-N 463.452 5.094 10 50 JKCA CN(C)c1ccc(-c2nc3c4cc(I)ccc4c4ccccc4c3[nH]2)cc1 6393874 NCZCMYFBLRYWME-UHFFFAOYSA-N 463.322 6.207 10 50 JKCA Cc1c(Nc2ccc(Cl)cc2C(=O)c2ccccc2)nc2ccc(Cl)cc2c1-c1ccccc1 8426534 ATTXWJXODFWYAO-UHFFFAOYSA-N 483.398 8.492 10 50 JKCA Cc1ccc(N2C(=O)/C(=C\c3cc(Br)c(O)c([N+](=O)[O-])c3)SC2=S)c(C)c1 9296612 PLASDSQJWBHIEZ-OVCLIPMQSA-N 465.350 5.086 10 50 JKCA O=C1/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(C(F)(F)F)=NN1c1ccccc1 16183339 XVNPXCAGMSODNS-WJDWOHSUSA-N 461.783 5.857 10 50 JKCA COc1cc(/C=C2\SC(=S)NC2=O)cc(Cl)c1OCCOc1ccc(Cl)c(C)c1 22229176 OKAHFRFMYIGPQK-YVLHZVERSA-N 470.399 5.257 10 50 JKCA O=C(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2)N1CCCCCC1 101686297 CRXMZSSIDMULFK-DPLHUUCSSA-N 451.408 6.292 10 50 JKCA CCN1C(=O)/C(=C/c2cc(Br)c(OCc3cccc(F)c3)c(OC)c2)SC1=S 1162936 SQESTBMKTIIVNK-YVLHZVERSA-N 482.396 5.397 10 50 JKCA O=C(CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccc(Cl)cc1 2381802 MNRSUJYKPYMCQU-GHRIWEEISA-N 451.038 5.802 10 50 JKCA O=C(O)c1ccc(COc2ccc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)cc2)cc1 2986527 DLWSIFLXYJNUNL-KQWNVCNZSA-N 475.591 5.408 10 50 JKCA CCOc1cc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)ccc1OC(=O)c1cccs1 2989992 RRUVOCJPTQAIJY-UDWIEESQSA-N 485.583 5.911 10 50 JKCA CCCN(Cc1ccccc1)C(=S)Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 15684930 RFNLYZYYIARPAI-UHFFFAOYSA-N 486.644 7.698 10 50 JKCA Cc1ccccc1C1=NN2C(=N)/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C(=O)N=C2S1 15855860 UUJVCOLNBFUATL-HGMBWOCJSA-N 497.536 5.150 10 50 JKCA Cc1cc(/C=C2/C(=O)N(CCC3=CCCCC3)C(=S)N=C2O)c(C)n1-c1ccc(Cl)cc1 33601856 IRWNTGIOZDRMRX-PXLXIMEGSA-N 468.022 6.105 10 50 JKCA CCCSc1nnc2c(n1)O[C@H](c1cc(Br)cc(OCC)c1O)Nc1ccccc1-2 8435310 ODDISCURDKQYAM-LJQANCHMSA-N 489.395 5.411 10 50 JKCA N=C1/C(=C/c2ccc(-c3ccc(F)cc3)o2)C(=O)N=C2SC(c3ccccc3Cl)=NN12 8493100 SWOFHBDXRJDVCR-HFUGBDTNSA-N 450.882 5.407 10 50 JKCA CCCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2c(C)cc(C)cc2C)SC1=S 12562752 RAWKWRKWWVIIIC-XQNSMLJCSA-N 475.683 6.856 10 50 JKCA CC1=NN(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(-c2cc([N+](=O)[O-])ccc2O)o1 100563219 QHWFYTBSNJRPAL-GZTJUZNOSA-N 468.263 5.129 10 50 JKCA O=C(O)CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N2 217682783 AGLJHKDQSANDEZ-CBGDNZLLSA-N 498.423 5.755 10 50 JKCA COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2 222462098 FGEICFJXYMMLJN-UDCNLSRBSA-N 491.569 5.539 10 50 JKCA CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)C1=O 9311857 QIVJUZWSVJEASN-XMHGGMMESA-N 481.474 5.342 10 50 JKCA CCCCN1C(=O)/C(=C2/C(=O)N(Cc3ccccc3)c3ccc(Br)cc32)SC1=S 16731867 OCZQFONVHGHPFZ-HNENSFHCSA-N 487.444 5.367 10 50 JKCA CCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Cl 22364452 PBVJYDNPVDFSBW-WUXMJOGZSA-N 488.154 5.755 10 50 JKCA COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)cc(Cl)c2O[C@H]3c2cc(Cl)ccc2O)cc1 248252427 QFYPFYUAEGVVAS-REWPJTCUSA-N 475.759 6.603 10 50 JKCA COc1cc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)cc(Cl)c1OCc1ccccc1 12382177 AWCFGYSTRIDQIU-BWBREFNUSA-N 482.993 5.593 10 50 JKCA COC(=O)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(Cc4cccc([N+](=O)[O-])c4)C3=O)c2C)cc1 16156633 KHEJNTBUISSKFH-LPYMAVHISA-N 491.525 5.025 10 50 JKCA COc1ccc(C2=NN3[C@H](c4cc(Cl)ccc4O)Oc4ccc(Br)cc4[C@H]3C2)cc1 248187583 IYUSUDFJUNFIKI-OFNKIYASSA-N 485.765 6.059 10 50 JKCA O=C(CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1ccc(Cl)cc1 1183114 RLVDBESAMYLFQQ-SFQUDFHCSA-N 451.400 5.614 10 50 JKCA CN(C(=O)c1ccco1)[C@@H](Cc1ccc(F)cc1F)C1CCN(Cc2cc(Cl)ccc2O)CC1 11788037 ZMTYNTYMAJPFJO-QHCPKHFHSA-N 488.962 5.512 10 50 JKCA CCc1cc2c(=O)c(-c3nc4ccccc4s3)coc2c(CN2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c1O 253487667 NTZFNDLXFGNPJK-LBEKAKSKSA-N 488.653 6.738 10 50 JKCA COc1ccccc1/C=C1/C(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C(=O)N=C1O 2982498 HIQRZYUCPXINKI-XSFVSMFZSA-N 462.889 5.434 10 50 JKCA O=C1N=C(O)/C(=C\c2ccc(OCCOc3ccccc3Cl)cc2)C(=O)N1Cc1ccccc1 3004242 ZKSISWGOZLTCMV-LTGZKZEYSA-N 476.916 5.300 10 50 JKCA COc1ccccc1OCCCOc1ccccc1/C=C1\SC(=S)N(c2cccc(C)c2)C1=O 16192859 LTXZVQVCDHHKSH-BWAHOGKJSA-N 491.634 6.257 10 50 JKCA CCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)SC1=S 16729683 SRPCPYOJUSPSCE-KQWNVCNZSA-N 493.654 5.948 10 50 JKCA Cc1cc(/N=N\c2c(C)nn(-c3ccccc3)c2O)ccc1/N=N/c1cccc([N+](C)(C)C)c1 25694017 CQCUQFUPAWFADP-UHFFFAOYSA-O 454.558 7.222 10 50 JKCA Cc1cc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 2993156 JTDLXPYKSMSKAH-AWQFTUOYSA-N 477.413 6.946 10 50 JKCA Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N4CCCCC4)cc3C)C2=O)cc1C 6432346 BEDSYKUZGYZFAN-HZHRSRAPSA-N 463.603 5.277 10 50 JKCA CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OC(=O)c1ccc(F)cc1 16688803 BQFVBCWUPWUXJD-HAHDFKILSA-N 493.581 5.845 10 50 JKCA O=C1N=C(O)/C(=C\c2cccn2-c2cccc(C(F)(F)F)c2)C(=O)N1c1ccc(Cl)cc1 1151135 SBNLTWJAMHCYIK-LDADJPATSA-N 459.811 5.656 10 50 JKCA COc1ccc(C(=O)N[C@H](c2cccc([N+](=O)[O-])c2)c2cc(Cl)c3cccnc3c2O)cc1 1170052 LIMGKWBEKKPEIJ-OAQYLSRUSA-N 463.877 5.030 10 50 JKCA COc1cc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)ccc1OC(=O)c1cccs1 1175870 QCYKBKRUYZCXAQ-YBFXNURJSA-N 471.556 5.521 10 50 JKCA COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1C 2844079 KZAKAEACAFFOIH-OEAKJJBVSA-N 496.053 6.637 10 50 JKCA COc1cc(CNc2ccc(O)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 2845760 ZXEMJXKQPAXZPM-UHFFFAOYSA-N 483.189 6.661 10 50 JKCA Cc1ccc(NC2=NC(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)S2)cc1Cl 2904210 LSGRNFBLKAPIFU-GRSHGNNSSA-N 474.325 6.552 10 50 JKCA CCN1C(=O)/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)SC1=S 1161783 JXQGIULODACFPY-YVLHZVERSA-N 479.377 5.157 10 50 JKCA O=C1/C(=C\c2cn(Cc3ccc(F)cc3)c3ccccc23)SC(=S)N1c1cccc(Cl)c1 2992856 BGDQDHHGAHBLNR-FSJBWODESA-N 479.001 6.888 10 50 JKCA COc1cc(/C=C2\C(=N)N3N=CSC3=NC2=O)cc(Cl)c1OCCCOc1cccc(C)c1C 6886763 GNNFQTDNTPDMNC-IUSLSNNWSA-N 498.992 5.062 10 50 JKCA Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)SC2=S)c(C)c1 9310417 NNPQULVTUPIGQJ-RGVLZGJSSA-N 469.971 6.321 10 50 JKCA COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(Cc3ccccc3)C2=O)c(C)c1 16193427 LSUMCSVVLNTYCJ-PCLIKHOPSA-N 497.645 6.258 10 50 JKCA COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)SC2=S)cc1 1193298 JHMGZWXBXDVLHP-ODLFYWEKSA-N 472.931 5.923 10 50 JKCA COc1ccc(O)c(CN2CCC(C(=O)Nc3ccc(Oc4ccccc4F)cc3)CC2)c1 12476037 JRDBTQKVEVDKGO-UHFFFAOYSA-N 450.510 5.183 10 50 JKCA COc1cc(/C=C2\C(=O)N(c3cccc(C(F)(F)F)c3)N=C2C)ccc1OC(=O)c1ccco1 13125718 QJSUVWFAZKIRJP-WQRHYEAKSA-N 470.403 5.332 10 50 JKCA Cc1cc(C)cc(OCCOc2c(Cl)cc(Cl)cc2/C=C2\SC(=S)NC2=O)c1 15800450 BHNQRMRMWLVSGP-MFOYZWKCSA-N 454.400 5.557 10 50 JKCA N=C1/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N=C2SC(c3ccccc3Cl)=NN12 13940387 CNONOXFYVJZURS-WMEYRTBOSA-N 477.889 5.176 10 50 JKCA O=C(Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)N(CCO)c1ccccc1 15684890 DPCYMIYFIDHPJI-UHFFFAOYSA-N 458.521 6.120 10 50 JKCA COc1cc(/C=C2\C(=O)N(c3cc(Cl)cc(Cl)c3)N=C2C)ccc1OC(=O)c1ccco1 16160882 AXFCDXNHRISIAE-LSCVHKIXSA-N 471.296 5.620 10 50 JKCA Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H](c3ccccc3)C23C(=O)c2ccccc2C3=O)cc1 1228911 BASIJZFSHJMCTA-SUYBVONHSA-N 498.534 5.734 10 50 JKCA Cc1cc(/C=C2/C(=O)N(c3ccc(Cl)cc3)C(=S)N=C2O)c(C)n1-c1ccc([N+](=O)[O-])cc1 2916354 ZZLXGNVDQCVFKS-UDWIEESQSA-N 480.933 5.327 10 50 JKCA CCOc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c(Br)cc1OC 2929681 ULKQVUZJLVRZGV-UNOMPAQXSA-N 478.433 5.300 10 50 JKCA COc1ccccc1OCCOc1cccc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)c1 16193330 KEZYIMDGPJWFEK-HAHDFKILSA-N 498.025 6.212 10 50 JKCA Oc1ccc(Br)cc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccc4ccccc4c3)=NN21 25901685 SMXFFUBYUKAKJJ-ZEQKJWHPSA-N 471.354 6.550 10 50 JKCA COc1ccc(/C=C2/C(=O)N(c3cc(C)cc(C)c3)C(=O)N=C2O)cc1OCc1ccccc1 1153774 CJTFONHZBRZOHO-HYARGMPZSA-N 456.498 5.398 10 50 JKCA CCOC(=O)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)sc2c1CCCCCCCCCCC2 8455537 OYNOMTLDRSZHCB-RTBURBONSA-N 477.667 6.364 10 50 JKCA O=C(Nc1cccc(N2CCC(NCc3cccnc3)CC2)c1)c1cccc(C(F)(F)F)c1 11786774 LLRKOPMPYFLATA-UHFFFAOYSA-N 454.496 5.111 10 50 JKCA O=C(O)c1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(/N=N/c4ccccc4)cc2)C3=O)cc1 12375824 GPGOHARTAODFPS-NVQSTNCTSA-N 490.475 5.853 10 50 JKCA O=C1N=C(O)/C(=C\c2ccc(OCc3ccccc3Cl)cc2)C(=O)N1c1cccc([N+](=O)[O-])c1 15836717 DQQNVYWUIRGXSX-UDWIEESQSA-N 477.860 5.334 10 50 JKCA Cc1ccccc1C(=O)NN1C(=O)/C(=C\c2cccc(OCc3ccccc3)c2)SC1=S 33247529 DFMOOVCIVOLELS-PXLXIMEGSA-N 460.580 5.120 10 50 JKCA COc1ccc(Br)cc1[C@@H](Nc1ccccn1)c1cc(Cl)c2cccnc2c1O 6426547 FIXWEYLSDBHGRU-HXUWFJFHSA-N 470.754 5.961 10 50 JKCA CCOc1cc(/C=C2\SC(=S)NC2=O)cc(Cl)c1OCCOc1cc(C)cc(C)c1 15800425 GAYUXTJPQQJFOF-UNOMPAQXSA-N 464.008 5.302 10 50 JKCA CC[C@@H](C)c1ccc(OCCn2cc(/C=C3\C(=N)N4N=CSC4=NC3=O)c3ccccc32)cc1 16248041 XPPLGOUJOMNAKO-NFXYJIFCSA-N 471.586 5.483 10 50 JKCA COc1ccc(N2C(=O)/C(=C\c3ccccc3Sc3ccc(Cl)cc3)SC2=S)cc1 6645282 PDIXIJSRXRPZBI-KGENOOAVSA-N 470.040 6.906 10 50 JKCA COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CC(C)C)C2=O)cc1[N+](=O)[O-] 25581370 IVIOMYKSTVTNKS-CIAFOILYSA-N 494.598 5.313 10 50 JKCA Cc1ccccc1N1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2OCCOc2ccccc2)SC1=S 3002136 NSLAICCVPHPHTP-KQWNVCNZSA-N 492.578 5.767 10 50 JKCA CN(C)c1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)c2ccco2)[C@@H]3c2ccc(N(C)C)cc2)cc1 8432298 ROPPZINQYHJNAA-LRXRSFGMSA-N 468.601 5.848 10 50 JKCA Cc1ccccc1N1CCN(C2=NC(=O)/C(=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)S2)CC1 8846761 OBGNWBMHCJTAJY-HZHRSRAPSA-N 498.435 6.354 10 50 JKCA CCOc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Cl)c1OCCCOc1cc(C)cc(C)c1 2878614 GIVKFJVQLLVZCE-KGENOOAVSA-N 492.062 6.034 10 50 JKCA CCN1C(=O)/C(=C\c2ccc(OCCCOc3ccc(C(C)(C)C)cc3)c(OC)c2)SC1=S 22257288 NDGYIVLVOCTCSB-HAVVHWLPSA-N 485.671 6.062 10 50 JKCA COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OCc1ccccn1 1130035 ZSMIBZYJQZMCQB-UDWIEESQSA-N 478.346 5.238 10 50 JKCA COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OCc1ccccc1C 2840186 HFJZVFBAOIYDTN-BUVRLJJBSA-N 461.608 5.984 10 50 JKCA N=C1/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)C(=O)N=C2SC(C(F)(F)F)=NN12 6457499 TZTYMPKYDFCREG-BCCBXPRLSA-N 487.894 5.524 10 50 JKCA O=C1c2ccc3nc(-c4ccccc4)sc3c2C(=O)c2ccc3nc(-c4ccccc4)sc3c21 13562166 GFFQNEGBFFGLQG-UHFFFAOYSA-N 474.566 7.015 10 50 JKCA in-vitro COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OC(=O)c1cccs1 13893439 SMKLPNVUGDHBLF-CPNJWEJPSA-N 453.566 5.382 10 50 JKCA COc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCc1ccccc1 16192890 URFKUYVXBZYDRA-BKUYFWCQSA-N 485.989 6.473 10 50 JKCA CC[C@H]1CCCCN1Cc1c(O)ccc2c(=O)c(Oc3ccc(OC)cc3)c(C(F)(F)F)oc12 19789769 SIPYLGLFKQBYQJ-HNNXBMFYSA-N 477.479 6.083 10 50 JKCA Oc1ccc(Br)cc1[C@@H]1Oc2ccc(Br)cc2[C@H]2CC(c3ccco3)=NN12 19893463 RZQWINOZPJXTGQ-UZLBHIALSA-N 490.151 5.753 10 50 JKCA COc1ccc(N2CCN(C(=O)c3cc(-c4ccc(C)s4)nc4ccc(C)cc34)CC2)cc1 20407688 WRGOTUDQEVTXLQ-UHFFFAOYSA-N 457.599 5.551 10 50 JKCA Cc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=O)N=C2O)c(C)n1-c1ccccc1C(F)(F)F 1153955 TUJYJUBRUGKKTK-FOWTUZBSSA-N 471.410 5.759 10 50 JKCA COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OCCOc1ccccc1 9296458 BPDGINYYTQUJKG-JJIBRWJFSA-N 477.607 5.554 10 50 JKCA O=S(=O)(Nc1cccc(N2CCC(N3CCCC[C@H]3c3ccccn3)CC2)c1)c1ccc(F)cc1 12455010 MFDVHPILYVVAHM-MHZLTWQESA-N 494.636 5.218 10 50 JKCA COc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1O[C@H](C)c1ccccc1 16193168 AALWNHHXABKSOG-AJIWAEEYSA-N 465.571 6.380 10 50 JKCA COc1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1COc1cc(C)cc(C)c1 20602356 RQGKJWOSCXMUMY-MFKUBSTISA-N 475.635 6.292 10 50 JKCA Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(c2ccc(OCc3ccccc3)cc2)CC1 648087 VGJWISATYVKEIH-UHFFFAOYSA-N 487.987 5.845 10 50 JKCA Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)cc4Cl)C3=O)c2C)cc1 2915769 SQSXDDABZDBUKN-YBFXNURJSA-N 484.408 5.541 10 50 JKCA O=C1/C(=C/c2cccc(OCCOc3ccccc3Cl)c2)SC(=S)N1c1ccccc1 2977054 ULGXVXOOAGJVQH-JWGURIENSA-N 467.999 6.204 10 50 JKCA COc1cc(/C=C2/C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)ccc1OCc1ccccc1 15855829 DAGNWLNDEHNNPA-OHMBLGONSA-N 482.565 5.136 10 50 JKCA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CC(C)C)C2=O)cc1C 33352063 KZANXRDWEQBFKR-BUVRLJJBSA-N 491.682 6.494 10 50 JKCA CCOC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2 35349200 PPYMPWKTHJMRHA-YPCDYVTLSA-N 484.508 5.817 10 50 JKCA O=C1/C(=C/c2ccc(OCCOc3ccccc3Cl)cc2)SC(=S)N1c1ccc(F)cc1 3003688 ANOGZFFAYOERFN-JCMHNJIXSA-N 485.989 6.343 10 50 JKCA CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)ccc1OCCCOc1ccc(C)c(C)c1 15857336 UHMWHHCKUNYUKQ-XQNSMLJCSA-N 471.644 5.771 10 50 JKCA CCOC(=O)COc1c(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cccc1OC 16267516 YAPLLKNCFBHUFQ-MFOYZWKCSA-N 498.409 5.350 10 50 JKCA CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C2=c1cc2c(cc1C(=O)O)=NN=N2 1307275464 KWHQGXGUDYJRQC-UHFFFAOYSA-N 483.572 5.062 10 50 JKCA O=C1/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C(O)=NC(=S)N1c1ccc(F)cc1 1261308 HTMPYWKJWQZFRN-HMAPJEAMSA-N 455.514 5.500 10 50 JKCA CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)c(C)c2)SC1=S 2364287 STRGOOPTCAUBHV-UCQKPKSFSA-N 477.655 6.104 10 50 JKCA COc1ccc2c(c1)[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)c1ccc(C(C)C)cc1)CCC2 3988249 DVYASSBBADJRAS-NDEPHWFRSA-N 456.630 6.538 10 50 JKCA in-vitro COc1ccccc1[C@@H](CCN(Cc1ccc(N(C)C)cc1)C(C)=O)[C@@H]1CCOC(C)(C)C1 9968613 WWIWRKVMHGAVAS-NOZRDPDXSA-N 452.639 5.489 10 50 JKCA Cc1cccc([C@H]2c3ccc(O)c(O)c3O[C@]34NC(=S)N[C@@H](c5cccc(C)c5)[C@@H]3CCC[C@@H]24)c1 230052784 MOKMXDVHASCMMM-WQQHWKMXSA-N 486.637 5.571 10 50 JKCA O=C1/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)SC(=S)N1Cc1ccco1 1149217 KYDIKXOWLPQXSO-NDENLUEZSA-N 452.513 5.168 10 50 JKCA CCOc1cccc(N2C(=O)/C(=C/c3ccc(Sc4ccccc4)o3)C(O)=NC2=S)c1 1210635 UXLQGOVZXWOLIM-XMHGGMMESA-N 450.541 5.501 10 50 JKCA C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2c(NCc3ccccc3)nc3ccccn3c2=O)SC1=S 2968023 SLADDFFFHOGDSH-PSRBBBRCSA-N 498.633 5.269 10 50 JKCA Cc1ccc(Nc2ccc(Nc3ccc(C)cc3)c3c2C(=O)c2c(O)ccc(O)c2C3=O)cc1 4044215 OZQQAZPMNWJRDQ-UHFFFAOYSA-N 450.494 5.977 10 50 JKCA in-vitro Oc1ccc(Br)cc1[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3cccs3)=NN12 13616646 AIUAWDOZDBKOTF-UZLBHIALSA-N 461.768 6.112 10 50 JKCA CC[C@@H](C)c1ccccc1OCCCOc1c(/C=C2/SC(=S)NC2=O)cccc1OC 22257589 HRGZTUCTIKMYQA-GXPOEHQZSA-N 457.617 5.545 10 50 JKCA COc1ccc(Br)cc1/C=C1\SC(=S)N(c2ccc(Cl)cc2Cl)C1=O 16193407 PXJGXAAGBPZJAA-CHHVJCJISA-N 475.216 6.170 10 50 JKCA CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCc1ccc(C)cc1 1117677 LFJKNSUNGOFYPF-SPMKTWQFSA-N 469.628 5.353 10 50 JKCA O=C(CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1ccc(F)c(Cl)c1 1182659 MYTOJQTVXSEWMK-LICLKQGHSA-N 469.390 5.753 10 50 JKCA Oc1ccc(Br)cc1[C@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3cccs3)=NN21 8439907 AIUAWDOZDBKOTF-OXQOHEQNSA-N 461.768 6.112 10 50 JKCA O=C(Oc1ccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1Cl)c1ccccc1F 16267437 WFPLDROOIAXLQD-ODLFYWEKSA-N 473.934 5.693 10 50 JKCA CCOC(=O)N1CCc2c(sc(NCc3ccc(C)o3)c2C(=O)Nc2cc(OC)ccc2OC)C1 920952 UWMUOGGXIFWCKW-UHFFFAOYSA-N 499.589 5.046 10 50 JKCA COc1ccccc1OCCOc1ccccc1/C=C1\SC(=S)N(Cc2ccco2)C1=O 16267506 ILCCQKQHFXHRLR-JCMHNJIXSA-N 467.568 5.147 10 50 JKCA CC[C@H](C)N1C(=O)/C(=C/c2ccc(OC(=O)[C@@H]3[C@@H](C=C(Cl)Cl)C3(C)C)cc2)SC1=S 22358388 YDVDPBCNHMNVHM-CHIKYGSESA-N 484.470 6.183 10 50 JKCA Cc1cc(-c2nn(-c3ccccc3)cc2/C=C2\SC(S)=NC2=O)ccc1OCCC(C)C 1835972 YKLHPKNUSHRRMZ-HMAPJEAMSA-N 463.628 6.173 10 50 JKCA COc1cc(/C=C2\SC(=S)NC2=O)cc(Cl)c1OCCOc1cccc(C(F)(F)F)c1 22358306 FJJYIKWXWMYMLG-SXGWCWSVSA-N 489.924 5.314 10 50 JKCA COc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 33717233 PULOPOQTFZBVII-STZFKDTASA-N 498.582 5.357 10 50 JKCA Cc1ccccc1OCCOc1ccc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)cc1 13895883 XTKKHEJHJTWPHD-OIYMOPNQSA-N 462.575 5.118 10 50 JKCA CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(Cl)c2)SC1=S 16730225 ODYQEFXSDRUCSV-UNOMPAQXSA-N 455.992 5.422 10 50 JKCA CCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(C)c(F)c2)SC1=S 16805372 ZVDMHROESWWMOJ-KQWNVCNZSA-N 479.646 6.768 10 50 JKCA COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)o1 22298766 BIRAODQWKNGEOB-ATVHPVEESA-N 457.364 5.212 10 50 JKCA Cc1ccc2c(c1)cc(-c1c3cn[nH]c3nc3c1oc1c(O)c(O)ccc13)c(=O)n2CC(C)C 217747688 QAKVKSWXCFUSKW-UHFFFAOYSA-N 454.486 5.215 10 50 JKCA biogenic CCOC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)C1=O 6378723 ZZXIJOUWXLPKIW-CXUHLZMHSA-N 453.347 5.000 10 50 JKCA CCCN1C(=O)/C(=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)c2cc(Br)ccc21 16730051 JRWPOWGZLHXVDX-LTFJSZEESA-N 487.444 5.538 10 50 JKCA COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1O[C@H](C)c1ccccc1 2810295 PLVNGPIWKAYCET-WCIBBKAISA-N 461.608 6.237 10 50 JKCA COc1cc(OC)c(/C=C2\SC(=S)N(CCC3CCCCC3)C2=O)cc1Br 15011191 OSQFSOZSEGWRPM-WQRHYEAKSA-N 470.454 5.638 10 50 JKCA Cc1ccccc1OCCCOc1ccc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)cc1 16193295 LJIPNAMERHQGLD-QJQSSJEKSA-N 488.491 5.024 10 50 JKCA CCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC)c(F)c2)SC1=S 16729847 QXDMVZIGDAUOHX-KQWNVCNZSA-N 495.645 6.469 10 50 JKCA CCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(Cl)c2)SC1=S 16730237 LJVCAYTXZFCEGQ-JCMHNJIXSA-N 498.073 6.593 10 50 JKCA CCCC[C@H](CC)CN1C(=O)C2=C(c3ccco3)N(C[C@@H](CC)CCCC)C(=O)C2=C1c1ccco1 115726822 LBTJWIAJSUGVEJ-VXKWHMMOSA-N 492.660 7.112 10 50 JKCA CCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2c(C)cc(C)cc2C)SC1=S 2672557 LGFAYKQFKPIQLA-JCMHNJIXSA-N 461.656 6.466 10 50 JKCA CCOC(=O)C1=C(c2ccccc2)S/C(=C2/C(=S)C(C)(C)N(C(C)=O)c3ccc(C)cc32)S1 13803935 ZKLNOTMPKCVHDW-QQTULTPQSA-N 495.691 6.591 10 50 JKCA C[C@@H]1CN(Cc2c(O)ccc3c(=O)c(Oc4ccccc4Cl)c(C(F)(F)F)oc23)C[C@@H](C)O1 19793022 NFUMCZIDIFZIKQ-CHWSQXEVSA-N 483.870 5.572 10 50 JKCA O=C1N=C(N2CCN(c3cccc4ccccc34)CC2)S/C1=C/c1ccc(-c2ccccc2)o1 2404860 ZFTCAMNKJKWDFJ-LGUFXXKBSA-N 465.578 5.892 10 50 JKCA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC(C)C)C2=O)cc1F 2508716 HVKKKJBOWPEOEN-UCQKPKSFSA-N 495.645 6.324 10 50 JKCA O=C1/C(=C/Nc2cccc(C(F)(F)F)c2)C(C(F)(F)F)=NN1c1nc2ccccc2s1 100408637 PTZKNTSEVVTTGJ-FMIVXFBMSA-N 456.371 5.576 10 50 JKCA COc1ccc(C(=O)Oc2cccc(/C=C3\SC(=S)N(c4cccc(C)c4)C3=O)c2)cc1OC 1120005 NMZOVBRZTLZEBI-UCQKPKSFSA-N 491.590 5.637 10 50 JKCA Cc1ccccc1COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=S)N(c2ccccc2)C1=O 2843832 GIOJNKIBAZFZAM-HYARGMPZSA-N 462.552 5.888 10 50 JKCA CC[C@H](C)N1C(=O)/C(=C2/C(=O)N(Cc3ccccc3)c3ccc(Br)cc32)SC1=S 16731864 RRLBWFUHFHMWBN-UNQMGURYSA-N 487.444 5.366 10 50 JKCA CCCCCN1C(=O)/C(=C2\SC(=S)N(C3CCCC3)C2=O)c2cc(Br)ccc21 16731945 IHHISWMHNYFEQK-ZCXUNETKSA-N 479.465 5.500 10 50 JKCA COc1ccc(CN2C(=O)/C(=C/c3c(OC)ccc4ccc(OC)cc34)SC2=S)cc1 1161354 BGZFADQADAHHBL-XKZIYDEJSA-N 451.569 5.267 10 50 JKCA Oc1ccc(Br)cc1CN1CCC(N(CCc2ccccc2)Cc2ccccc2)CC1 2734972 ADGRPEVZUMBXNK-UHFFFAOYSA-N 479.462 5.864 10 50 JKCA CC[C@H](C)c1ccc(OCCCOc2c(/C=C3/SC(=S)NC3=O)cccc2OC)cc1 22257527 WAFPWXJGEKARAS-WASCAKKMSA-N 457.617 5.545 10 50 JKCA COc1cc(/C=C2/C(=N)N3N=C(c4ccccc4)SC3=NC2=O)ccc1OCc1ccccc1F 6624951 UPQRAMMKIVVHHY-VOKATDEVSA-N 486.528 5.081 10 50 JKCA O=C1/C(=C/c2ccc(OCCOc3ccc([N+](=O)[O-])cc3)cc2)SC(=S)N1Cc1ccccc1 8872422 FGUWFNROBYQCPH-KQWNVCNZSA-N 492.578 5.454 10 50 JKCA Cc1ccc(Oc2c(C(F)(F)F)oc3c(CN4CCC(C)CC4)c(O)ccc3c2=O)cc1C 19793918 MQQRMIPNFQJOGP-UHFFFAOYSA-N 461.480 6.158 10 50 JKCA O=C(O)c1cc(N=Nc2ccc(-c3ccc(N=Nc4ccc(O)c(C(=O)O)c4)cc3)cc2)ccc1O 253918636 XFFSCOOTVXBLCK-UHFFFAOYSA-N 482.452 6.992 10 50 JKCA COc1ccc(S(=O)(=O)Nc2cc(SCc3ccccc3)c(O)c3ccccc23)cc1 2856007 IIYVEHYLHLWESG-UHFFFAOYSA-N 451.569 5.647 10 50 JKCA CN1C(=O)/C(=C\c2cn(CCOc3ccc(Br)cc3)c3ccccc23)SC1=S 6394162 IAPZUSKDQCNZPO-XDHOZWIPSA-N 473.417 5.314 10 50 JKCA COc1ccccc1OCCn1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c2ccccc21 15767954 PESCCEZGVKWHSN-KOEQRZSOSA-N 486.618 6.135 10 50 JKCA O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc2c(c1)C(=O)c1ccccc1C2=O 16192445 UFPRMHANYAYNMT-UHFFFAOYSA-N 463.333 5.752 10 50 JKCA COc1ccc(OCCOc2ccccc2)c(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1 16212847 BKKKTVBOKYWHCV-ULJHMMPZSA-N 477.607 5.554 10 50 JKCA CC[C@H](C)c1ccccc1OCCOc1ccc([N+](=O)[O-])cc1/C=C1\SC(=S)NC1=O 22229097 XFQPGQWDKQCJSU-DABDWFRDSA-N 458.561 5.055 10 50 JKCA Cc1ccc(OCCCOc2c(Cl)cc(Cl)cc2/C=C2\SC(=S)NC2=O)cc1C 22309980 JAJXOVVZIGFMQV-ZDLGFXPLSA-N 468.427 5.947 10 50 JKCA COc1ccc(N2CCN(C(=O)c3ccc4c(c3)[C@@H]3[C@H]5CC[C@@H](C5)[C@@H]3[C@H](c3ccccc3)N4)CC2)cc1 101052706 NATSMZNMWIDBHL-RLWFOIIBSA-N 493.651 5.954 10 50 JKCA CCc1c(Nc2cc(C)ccc2C(=O)c2ccccc2)nc2cc(C)ccc2c1-c1ccccc1 253433429 WTDJRGSLWCIXRU-UHFFFAOYSA-N 456.589 8.056 10 50 JKCA O=C1/C(=C/c2cn(CCOc3ccccc3)c3ccccc23)SC(=S)N1Cc1ccco1 1136527 IQGYGDWRANWMFB-HAHDFKILSA-N 460.580 5.715 10 50 JKCA O=C1/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(O)=NC(=S)N1c1ccccc1F 1180331 AKHWPJYWHAXCOV-GXDHUFHOSA-N 471.853 5.319 10 50 JKCA CCCC1=NN2C(=N)/C(=C/c3cn(CCOc4ccc(OC)cc4)c4ccccc34)C(=O)N=C2S1 15799270 WGSFULMQLOFSAC-QGNOBFDASA-N 487.585 5.148 10 50 JKCA O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)SC(=S)N1Cc1ccco1 19912619 ZCEXGYJMEXWFRW-FYJGNVAPSA-N 461.543 5.673 10 50 JKCA COC(=O)C1=C(c2ccccc2)S/C(=C2/C(=S)C(C)(C)N(C(C)=O)c3ccc(OC)cc32)S1 1812606 PILBSTTWRQXHSG-CLCOLTQESA-N 497.663 5.901 10 50 JKCA CCOc1cc(/C=C2/SC(=S)NC2=O)cc(Cl)c1OCCCOc1cccc(C)c1 2844136 KCPBTAIRPFWEJY-CPNJWEJPSA-N 464.008 5.384 10 50 JKCA CCOc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)SC2=S)cc1 8872061 SYVXJKZMDIUBOZ-UDWIEESQSA-N 476.406 7.058 10 50 JKCA CCC1=NN2C(=N)/C(=C\c3ccc(OCCCOc4ccccc4Cl)c(OC)c3)C(=O)N=C2S1 16192787 RTPSUOHTTQZBNM-FGTVDOQTSA-N 498.992 5.226 10 50 JKCA COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cc(Cl)cc(Cl)c2O)cc1 25577639 XPYHNJCMMCIDAV-NZQKXSOJSA-N 475.759 6.603 10 50 JKCA O=C(Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2)c1ccc(Cl)cc1Cl 222356379 PSKHPKXSJDHLJA-KHCICDEESA-N 480.351 6.980 10 50 JKCA CCOC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@H]2C3=C(C)C)sc2c1CC[C@@H](C(C)(C)C)C2 225748345 ZQEXFWGGECWIDK-XHXDDVKMSA-N 487.662 5.708 10 50 JKCA CC[C@@H](C)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2)SC1=S 2367003 KBFRDJWVWOWKGQ-OYADDEIPSA-N 477.655 6.326 10 50 JKCA O=C1N=C(O)/C(=C\c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)C(=O)N1c1ccc(O)cc1 2818560 SPVTZEVKYRWLRU-VCHYOVAHSA-N 483.307 5.785 10 50 JKCA CCN1C(=O)/C(=C/c2ccc(OCCCOc3cccc(C)c3)c(Br)c2)SC1=S 2821848 GCONPZUQSADPTP-ZHZULCJRSA-N 492.460 5.827 10 50 JKCA O=C1/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC(=S)N1c1cccc(Cl)c1 6974481 URTKZAWBSDUSCF-VCHYOVAHSA-N 466.798 7.313 10 50 JKCA CN(Cc1ccccc1)Cc1c(O)ccc2c(=O)c(Oc3ccc(-c4ccccc4)cc3)coc12 1771738 JAPMNYQSYRDIPC-UHFFFAOYSA-N 463.533 6.590 10 50 JKCA biogenic CC(=O)c1cccc(NC(=O)CCCCCN2C(=O)/C(=C\c3cccs3)SC2=S)c1 8763425 PZUNVPNMMUAUPJ-XMHGGMMESA-N 458.630 5.351 10 50 JKCA O=C1/C(=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)SC(=S)N1Cc1cccnc1 15010796 IHGFDHYICYUMJO-NHDPSOOVSA-N 487.433 6.369 10 50 JKCA COc1cc(/C=C2/C(=N)N3N=C(c4ccccc4C)SC3=NC2=O)ccc1OCc1ccccc1 15855861 DZYJBGGIMSVTSY-WTPQPOPRSA-N 482.565 5.250 10 50 JKCA O=C(CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)NC12CC3CC(CC(C3)C1)C2 888105166 YNTVEUZHRDLYIJ-UHFFFAOYSA-N 492.623 5.049 10 50 JKCA COC(=O)c1ccccc1-c1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)o1 1147164 HUZUOJAZNRYLTP-XDHOZWIPSA-N 455.944 5.792 10 50 JKCA O=C1/C(=C/c2cccs2)SC(=S)N1CCCC(=O)N(Cc1ccccc1)c1ccccc1 1184415 YQLDUKGSFDDZFT-XLNRJJMWSA-N 478.664 5.963 10 50 JKCA COc1ccc(OCCOc2ccc(/C=C3\SC(=S)N(c4ccccc4C)C3=O)cc2)cc1 3000915 ZNLMRHYCRBRKMO-ULJHMMPZSA-N 477.607 5.867 10 50 JKCA Cc1cccc(-c2cc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c3ccccc3n2)c1 8444330 XWCJHFGOFSYPPP-UHFFFAOYSA-N 468.512 6.238 10 50 JKCA COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1[N+](=O)[O-] 12558342 CXUMVQWUVALFQB-HAHDFKILSA-N 479.496 5.262 10 50 JKCA Cc1ccccc1Cn1cc(/C=C2/C(=N)N3N=C(c4ccccc4)SC3=NC2=O)c2ccccc21 15800305 OFAYCMWMVZXJJN-HGNJXLJLSA-N 475.577 5.665 10 50 JKCA O=C1OC(c2ccc(Br)cc2)=C/C1=C/c1ccc(OCc2ccccc2Cl)cc1 22033867 CQWOKXKCECUKAJ-UYRXBGFRSA-N 467.746 6.663 10 50 JKCA CCN1C(=O)/C(=C\c2cccc(OC)c2OCCCOc2ccccc2Cl)SC1=S 6470642 SRUZOVUGNOLKLR-XMHGGMMESA-N 464.008 5.418 10 50 JKCA CCCCN(CCCC)c1ccc(C=Cc2cc[n+](CCC[N+](CC)(CC)CC)cc2)cc1 4262508 OKZXHSSXTVFTDR-UHFFFAOYSA-N 451.743 6.818 10 50 JKCA in-vivo COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc(Cl)c1OCc1ccccc1F 15011065 LRQMFAKBRMAXNM-JAIQZWGSSA-N 489.977 6.061 10 50 JKCA CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(c4ccc(C(=O)O)c(Cl)c4)N=C3C)o2)cc1 15658752 YXLAKMYPLFUWCP-MOSHPQCFSA-N 478.888 5.281 10 50 JKCA COC(=O)c1ccc(N(Cc2ccccc2O)c2ncc(C(F)(F)F)cc2Cl)c(F)c1 218898570 NKLDHOHYVGNCES-UHFFFAOYSA-N 454.807 5.723 10 50 JKCA C/C(=C\C[C@]12O[C@]1(C)C(=O)c1ccccc1C2=O)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C 253700525 KUTXFBIHPWIDJQ-BUYWJROXSA-N 466.706 8.369 10 50 JKCA in-man C[C@H](c1ccccc1)N1C(=O)/C(=C/c2c(NCc3ccccc3)nc3ccccn3c2=O)SC1=S 2968026 SLADDFFFHOGDSH-ZSYKKXJESA-N 498.633 5.269 10 50 JKCA CN1/C(=C/C=C/C2=[N+](C)c3ccc4ccccc4c3C2(C)C)C(C)(C)c2c1ccc1ccccc21 3877654 ZUUALQQPPJXKAA-UHFFFAOYSA-N 457.641 7.867 10 50 JKCA O=C1/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC(=S)N1c1ccc(Cl)cc1 9296677 ZQHOXEXDDYHPDJ-VCHYOVAHSA-N 477.350 6.567 10 50 JKCA COc1cccc(CN2CCC(C(=O)Nc3ccc(Oc4ccccc4F)cc3)CC2)c1O 11878567 KLXXCKWMLGFJJT-UHFFFAOYSA-N 450.510 5.183 10 50 JKCA COc1ccc(OCCCOc2c(Cl)cc(/C=C3/SC(=S)N(C)C3=O)cc2OC)cc1 22257810 IKMLQCJRPCKZEZ-CPNJWEJPSA-N 480.007 5.036 10 50 JKCA COCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(C)c2)SC1=S 2671701 FXRXGHFGJVHLNT-PXLXIMEGSA-N 479.627 5.094 10 50 JKCA O=C1/C(=C\c2cn(Cc3ccccc3F)c3ccccc23)SC(=S)N1C1CCCCC1 2991618 DLUMPCNFAMSFHZ-OEAKJJBVSA-N 450.604 6.363 10 50 JKCA Oc1ccc(-c2csc(N3N=C4/C(=C/c5ccccc5)CCC[C@H]4[C@H]3c3ccccc3)n2)cc1O 4257357 SAADEGLEQOIOKS-NGUIZJDYSA-N 479.605 7.022 10 50 JKCA CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 10059828 GSMFJEZIKJWRPO-GDNBJRDFSA-N 475.715 6.411 10 50 JKCA COc1cc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)ccc1OC(=O)c1ccccc1 1136369 SIBJHOOMOLNBPZ-JCMHNJIXSA-N 477.563 5.329 10 50 JKCA COCCN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)SC1=S 2929632 NDINRKPXLBGIJE-WQRHYEAKSA-N 454.400 5.420 10 50 JKCA Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccccc3C(F)(F)F)C2=O)cc1 13799325 NRMOWAWGYIXDQV-AQTBWJFISA-N 464.534 5.634 10 50 JKCA CCOc1cccc(CN(C)Cc2nnc(SCc3ccncc3)n2-c2cccc(Cl)c2)c1O 15069998 YEVBEBMPSITPMO-UHFFFAOYSA-N 496.036 5.344 10 50 JKCA CN(C)c1ccc([C@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 15224666 DZGBIOKDKSIMLM-LADGPHEKSA-N 482.809 6.411 10 50 JKCA O=C(CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1cc(Cl)cc(Cl)c1 1166465 DHCGUOYPBUGWBF-WSVATBPTSA-N 495.409 5.342 10 50 JKCA COc1cccc(C(=O)N[C@@H](c2ccc(OC)c(OC)c2)c2cc(Cl)c3cccnc3c2O)c1 1169778 NLLMJRZGZQUHSO-QHCPKHFHSA-N 478.932 5.139 10 50 JKCA O=S(=O)(Nc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1)c1ccc(Cl)cc1 1232931 DBONMVGQIDSQQE-UHFFFAOYSA-N 491.805 5.248 10 50 JKCA O=C1/C(=C/c2ccccc2OCCOc2ccccc2Cl)SC(=S)N1c1ccc(F)cc1 3000740 ZWVOQRJPYYLXIV-JCMHNJIXSA-N 485.989 6.343 10 50 JKCA CN1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2OCCOc2cc(Cl)ccc2Cl)SC1=S 3462780 KCXJKQORCOJPEU-MFOYZWKCSA-N 485.370 5.190 10 50 JKCA CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)o3)C2=O)cc1 13660551 PHTSKGICYHVTJB-UYRXBGFRSA-N 452.919 5.313 10 50 JKCA O=C1/C(=C2/C(=O)N(Cc3ccccc3)c3ccccc32)SC(=S)N1CCc1ccccc1 2688801 CTGPQWHFYRRPJT-FCQUAONHSA-N 456.592 5.048 10 50 JKCA N=C1/C(=C/c2ccc(OCc3ccccc3F)cc2)C(=O)N=C2SC(c3ccccc3)=NN12 7018007 YHZVTXVFURHBRX-ZEOXQOHMSA-N 456.502 5.072 10 50 JKCA CCCN1C(=O)/C(=C\c2ccc(OCc3ccc(Br)cc3)c(OC)c2)SC1=S 9310365 IFVQRYLKNYCEMZ-XDHOZWIPSA-N 478.433 5.648 10 50 JKCA O=C1N=C(O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)N1Cc1ccccc1 1162817 VOVAWPCRSPAKQD-GZTJUZNOSA-N 496.273 5.120 10 50 JKCA O=C1/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C(C(F)(F)F)=NN1c1ccccc1 16183498 WAQBZLWQIHVCOX-WJDWOHSUSA-N 451.231 6.602 10 50 JKCA CC1=NN(c2ccccc2)C(=S)/C1=C\Nc1ccc(Br)cc1C(=O)c1ccccc1 8990068 FPAUYJKYFUCTMO-QNGOZBTKSA-N 476.399 6.199 10 50 JKCA COc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OCc1ccccc1 2678014 DBRGMJOWMPUXHT-GJQHCVRFSA-N 461.608 6.237 10 50 JKCA O=C(Oc1cccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1)c1ccccc1Cl 2823570 NLTIVKSZPUJYPU-STZFKDTASA-N 465.983 5.961 10 50 JKCA Cc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC1=S 2988287 PITBVTMDQVDIBV-ODLFYWEKSA-N 456.932 6.222 10 50 JKCA O=C1/C(=C/c2ccccc2OCc2ccc(F)cc2)C(O)=NC(=S)N1c1ccccc1F 15799780 DPICWDAYTMOSAI-QGOAFFKASA-N 450.466 5.215 10 50 JKCA O=c1c(-c2ccc(Cl)cc2Cl)c(C(F)(F)F)oc2c(CN3CCCC3)c(O)ccc12 1747795 JZAMMCDTCJWAHC-UHFFFAOYSA-N 458.263 6.087 10 50 JKCA CCN1C(=O)/C(=C/c2cccc(OCCOc3ccc(Br)cc3)c2)SC1=S 2994153 MEOYAIXRKYNHLX-AQTBWJFISA-N 464.406 5.128 10 50 JKCA Cc1ccc(N2C(=O)/C(=C/c3cccc(OS(=O)(=O)c4ccc(C)cc4)c3)SC2=S)cc1 3003210 FMQBTQPPNJGSHD-JCMHNJIXSA-N 481.620 5.477 10 50 JKCA Cc1ccc(OCCOc2cc(Cl)ccc2Cl)c(/C=C2\SC(=S)N(C)C2=O)c1 16212875 WJNPORCGUJTUHG-ZDLGFXPLSA-N 454.400 5.591 10 50 JKCA FC(F)(F)c1ccc(Br)cc1/N=N/Nc1cc(Br)ccc1C(F)(F)F 95218083 IJOKHPKHCBTIDN-UHFFFAOYSA-N 491.027 7.360 10 50 JKCA COc1ccc(NC(=O)c2c(C)oc3ccc(O)c(CN4C[C@@]5(C)C[C@H]4CC(C)(C)C5)c23)cc1 245026732 NIRVXWSUHCFHDV-GDJIYFAZSA-N 462.590 6.108 10 50 JKCA COc1ccc(Cl)cc1NC(=O)c1cc(/N=N/c2ccc(O)cc2Cl)c2ccccc2c1O 16157677 KJNHFVRXGGCBIF-ZQHSETAFSA-N 482.323 7.234 10 50 JKCA CCN(CC)c1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 226814571 KDWPXBAHHVCUNV-ISJGIBHGSA-N 475.976 5.237 10 50 JKCA CCOc1ccc(N2C(=O)[C@H]3[C@@H](c4cc(Cl)cc(Cl)c4O)N(c4ccccc4)O[C@H]3C2=O)cc1 230041143 MKHNEAQWPHFKIP-QZNHQXDQSA-N 499.350 5.149 10 50 JKCA O=C1N[C@](c2ccc(N3CCOCC3)cc2)(c2cccs2)CC(O)=C1Sc1ccccc1Cl 1560403724 HHORQVCGOXHHDE-RUZDIDTESA-N 499.057 5.564 10 50 JKCA O=C1N=C(O)/C(=C\c2cccc3ccccc23)C(=O)N1c1ccc(OCc2ccccc2Cl)cc1 2989774 CXNJOPYMAMGRCC-LFVJCYFKSA-N 482.923 6.579 10 50 JKCA Cc1cccc(N[C@H](c2cccc(OCc3ccccc3)c2)c2ccc3ccc(C)nc3c2O)n1 8452920 IOTRZXZUAZMJBV-MUUNZHRXSA-N 461.565 6.733 10 50 JKCA O=C(CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccccc1Cl 8763419 QBQCQTAWOGUTKS-GHRIWEEISA-N 451.038 5.802 10 50 JKCA CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(C)n(C2CCCCC2)c1C 16226040 ZWIBUBXOFQOURR-MHWRWJLKSA-N 451.439 6.112 10 50 JKCA CC1=NN(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(-c2cccc(C(=O)O)c2)o1 100148200 JHJVBGJXHYHQRV-XDHOZWIPSA-N 451.276 5.213 10 50 JKCA COC(=O)c1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc1 1175998 ZRPCAEXMAWSOLA-KGENOOAVSA-N 490.899 5.212 10 50 JKCA N=C1S/C(=C\c2c[nH]nc2-c2ccc(F)cc2)C(=O)N1c1ccc(/N=N/c2ccccc2)cc1 8846428 JUGVKOYYOPVDIG-ASPNYPCXSA-N 468.517 6.687 10 50 JKCA COc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCc1ccccc1Cl 9041909 NBFULSBFOJLTJD-JTPDXPAISA-N 468.966 5.203 10 50 JKCA CCCCc1ccc(NC(=O)c2cc3ccccc3c(/N=N/c3ccc4[nH]c(=O)[nH]c4c3)c2O)cc1 16511343 DIKPKMXFFYFCDF-ULIFNZDWSA-N 479.540 6.725 10 50 JKCA O=C1/C(=C/NCCc2c[nH]c3ccccc23)C(c2ccccc2)=NN1c1nc2ccccc2s1 100437510 AZSYHCYCKHXKGF-HEHNFIMWSA-N 463.566 5.245 10 50 JKCA CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(Cl)c1OCc1cccc(F)c1 3004814 BCYXPRSWZJOXEF-WQRHYEAKSA-N 451.972 5.678 10 50 JKCA CCOc1cc(/C=C2\C(=N)N3N=CSC3=NC2=O)ccc1OCCSc1ccc(Cl)cc1 6507594 KKCVZTHUICJBPV-PUYZJMEQSA-N 487.006 5.159 10 50 JKCA COc1ccc(OCCOc2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)cc2OC)cc1 9434479 NKXZISQUNNIKQU-ULJHMMPZSA-N 493.606 5.567 10 50 JKCA COc1cccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3[C@H]3C=CC[C@H]32)c1OC 16447931 AAUVXYKHBGERAS-WZOHSFFVSA-N 480.561 5.470 10 50 JKCA Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCc4ccc(Cl)cc4)c3)C2=O)cc1Cl 6859706 XKCRFFQNBGLXFA-MTJSOVHGSA-N 481.335 5.547 10 50 JKCA CCOC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1Cl)N3C[C@H]1CC=C[C@H]21 36079823 VIQCNXYAZDLQDG-CBRVIJITSA-N 466.408 7.064 10 50 JKCA CCc1cc2c(=O)c(-c3nc4ccccc4[nH]3)c(C)oc2c(CN2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c1O 239297241 DUAZFJANGIMCGU-QTEAWJPNSA-N 485.628 6.313 10 50 JKCA O=C1c2ccccc2C(=O)c2cc3c(cc21)N[C@@H]1CC[C@@H]2[C@@H]4CCCC[C@@H]4C(=O)[C@@H]4CC[C@@H]3[C@@H]1[C@H]42 247756661 WVSXJYGUVHEAPF-LKKDDHDHSA-N 465.593 5.781 10 50 JKCA O=C1N=C(O)/C(=C\c2ccccc2OCc2ccccc2Cl)C(=O)N1c1ccc([N+](=O)[O-])cc1 16156625 FLTAZGCAMHPKIG-CPNJWEJPSA-N 477.860 5.334 10 50 JKCA O=C(Oc1ccc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc1)c1ccccc1F 16247433 ZAKCVYIULLCJJU-NDENLUEZSA-N 469.946 6.104 10 50 JKCA COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cc(Cl)cc(Cl)c2O)cc1OC 248125574 FRURLUHNWYGLDT-CYFREDJKSA-N 471.340 5.959 10 50 JKCA COc1ccc(-n2cccc2/C=C2/C(=O)N(c3cccc(Cl)c3C)C(=S)N=C2O)cc1 1130514 JRQQXNZUKHTACS-QGOAFFKASA-N 451.935 5.119 10 50 JKCA CCN1C(=O)/C(=C/c2cc(Cl)c(OCCOc3ccccc3Cl)c(OC)c2)SC1=S 2843917 NIASRSQLFZAGJF-PDGQHHTCSA-N 484.426 5.681 10 50 JKCA O=C1/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)SC(=S)N1Cc1ccccc1 3003410 PZXODYDIJHNXNH-HMAPJEAMSA-N 462.552 5.575 10 50 JKCA CC1(C)Nc2cccc3c(N=Nc4ccc(N=Nc5ccccc5)c5ccccc45)ccc(c23)N1 242723065 YCUVUDODLRLVIC-UHFFFAOYSA-N 456.553 9.397 10 50 JKCA in-vitro CCCc1ccc(-c2c3c(c(-c4ccccc4)n2-c2ccc(N)cc2)C(=O)c2ccccc2C3=O)cc1 2053536 MDSPAFWLCTXHHG-UHFFFAOYSA-N 482.583 7.121 10 50 JKCA O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C/c1ccccc1OCc1ccccc1 13536083 DJXYGIAOLSWRLF-LGUFXXKBSA-N 469.610 5.054 10 50 JKCA COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCCOc1cc(C)cc(C)c1 13899191 XWPQGHPEHNYIOZ-UQQQWYQISA-N 491.634 6.176 10 50 JKCA COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/C(=O)N(c3cccc(Cl)c3C)C(=S)N=C2O)o1 1125904 ANBFFJZVFMKHAJ-LFIBNONCSA-N 497.916 5.497 10 50 JKCA O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1ccc2ccccc2c1 1180985 QIQZFFYYMMMZMZ-ZHZULCJRSA-N 452.988 5.723 10 50 JKCA Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCc4ccccc4Cl)c3)C2=O)cc1C 6858439 PZXPETKVAOPGKC-HMAPJEAMSA-N 460.917 5.202 10 50 JKCA Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C)cc4Br)o3)C(=O)NC2=S)cc1 9295815 HTSIAYXJPZYSEK-LDADJPATSA-N 481.371 5.157 10 50 JKCA CCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Cl 22364413 XCIYUSRWAJJISK-RIYZIHGNSA-N 498.160 5.211 10 50 JKCA COc1ccc(CN2C(=O)/C(=C\c3ccc(OCc4cccc(C)c4)cc3)SC2=S)cc1 209953018 BGGHCDXKJLFFJI-BUVRLJJBSA-N 461.608 5.984 10 50 JKCA Cc1cc2c3c(c1)[C@](C)(c1ccc(Cl)cc1)CC(C)(C)N3C(=O)/C2=C1\SC(=S)NC1=O 1848442854 LQOFOHDZLFEYGC-YKZVTOKOSA-N 469.031 5.342 10 50 JKCA CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cccc(Oc2ccccc2)c1 12413442 PMSFMSBSYLMTNJ-ITYLOYPMSA-N 453.538 6.363 10 50 JKCA CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccccc2F)c(Br)c1 14009218 ARUDXIAGQHVVRI-MOSHPQCFSA-N 465.322 5.973 10 50 JKCA CCOc1cccc(CN2CCC([C@H](Cc3ccccc3F)N(C)C(=O)c3cccs3)CC2)c1O 14882587 ILXWLVLQNPZRSF-DEOSSOPVSA-N 496.648 5.587 10 50 JKCA CC1=NN(c2nc(-c3ccc(Br)cc3)cs2)C(=O)[C@@H]1/N=N/c1ccccc1C(=O)O 100506784 QTIPFQGHWZZIIS-GSWFEHRJSA-N 484.335 5.146 10 50 JKCA CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)cc(Br)c1OCc1ccccc1C 13942902 LXEYFUFWVCWTTL-XDHOZWIPSA-N 492.460 5.956 10 50 JKCA CCOc1ccccc1N1C(=O)[C@H]2[C@@H](c3cc(Cl)cc(Cl)c3O)N(c3ccccc3)O[C@H]2C1=O 230033115 PROHNLRRZLTDRT-QZNHQXDQSA-N 499.350 5.149 10 50 JKCA Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3cccc(Cl)c3Cl)C2=O)cc1 2228157 XYFZDKIISFGWSB-SFQUDFHCSA-N 465.427 5.922 10 50 JKCA CC[n+]1c(/C=C/N(C)c2ccccc2)n(-c2ccccc2)c2ccc(-c3nc4ccccc4s3)cc21 3204334 OTHITMYLBRCVIT-UHFFFAOYSA-N 487.652 7.322 10 50 JKCA in-vitro O=C1C(=CNc2cc(Cl)ccc2Cl)C(=O)N(C2CCCCC2)C(=O)N1C1CCCCC1 6974328 FHRXWSFOZRQWRL-UHFFFAOYSA-N 464.393 5.745 10 50 JKCA Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)C(O)=NC2=S)cc1 1240462 OGFJVZRJSFMDMW-GZTJUZNOSA-N 457.338 6.233 10 50 JKCA COc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc(Br)c1O 2826432 AMUQGJRJRPVVTL-MKMNVTDBSA-N 474.760 5.362 10 50 JKCA COC(=O)c1ccccc1-c1ccc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)o1 9310389 NYQDMJOOLDBVMD-XDHOZWIPSA-N 466.496 5.047 10 50 JKCA COc1cccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4c(C)cccc4C)cc3[C@@H]3C=CC[C@@H]32)c1OC 14165964 FGZDGHZXRFEERU-PBDKAQRYSA-N 490.625 5.948 10 50 JKCA CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(-c2ccccc2C(=O)O)o1 100148018 QYIZCZQLIXJZOX-XDHOZWIPSA-N 451.276 5.213 10 50 JKCA COc1cccc(C[C@H](C2CCN(Cc3cc(Cl)ccc3O)CC2)N(C)C(=O)c2ccccn2)c1 11815744 SGIBLQRFEOJDFY-AREMUKBSSA-N 494.035 5.045 10 50 JKCA O=C1/C(=C2/C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)SC(=S)N1Cc1ccco1 16265277 WEZOQFGSZHYQLG-VXPUYCOJSA-N 466.971 5.251 10 50 JKCA CC1(C)C[C@@H](NC2CCN(c3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3)CC2)CCO1 15001277 JSXRHAQZEGVUMB-QFIPXVFZSA-N 475.555 5.474 10 50 JKCA Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H](c3ccccc3)C23C(=O)c2ccccc2C3=O)cc1 1228909 BASIJZFSHJMCTA-MXBOTTGLSA-N 498.534 5.734 10 50 JKCA COCCN1C(=O)/C(=C\c2ccc(OC(=O)[C@@H]3[C@H](C=C(Cl)Cl)C3(C)C)cc2)SC1=S 15684841 UAYHGPVQAURMGO-QIXNYHOWSA-N 486.442 5.031 10 50 JKCA Cc1ccccc1C1=NN2C(=N)/C(=C/c3cccc(OCc4ccccc4)c3)C(=O)N=C2S1 15837872 HWPCEDFKXCQNGR-KLUMOMIWSA-N 452.539 5.241 10 50 JKCA Cc1ccc(CN2C(=O)/C(=C3\SC(=S)N([C@H](C)c4ccccc4)C3=O)c3ccccc32)cc1 16805328 QJSGCHBLUQUWOI-ANEHGGCBSA-N 470.619 5.874 10 50 JKCA COc1cccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccccc3C(F)(F)F)C2=O)c1 1184460 OYJJOWQWZOIQHM-AQTBWJFISA-N 480.533 5.334 10 50 JKCA CC[C@@H](C)c1ccccc1OCCOc1ccc(Br)cc1/C=C1\SC(=S)NC1=O 13942423 KHXVGCQHKSMMLO-KELUXRKGSA-N 492.460 5.909 10 50 JKCA CN1C(=O)/C(=C/c2cc(Br)ccc2OCCOc2ccccc2Cl)SC1=S 2851959 YEEBCRQGXAKOJV-BOPFTXTBSA-N 484.824 5.391 10 50 JKCA COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc(Cl)c1OC(=O)c1cccs1 16267520 ZJEDJZJWGCMBCC-YVLHZVERSA-N 491.999 5.624 10 50 JKCA COC(C)(C)c1cc2c(O)c3c(=O)c(-c4ccc(O)c(O)c4)coc3c(CC=C(C)C)c2o1 1772820237 RPHQLJUSABDBEE-UHFFFAOYSA-N 450.487 5.713 10 50 JKCA CCN1C(=O)/C(=C/c2cc(Cl)cc(Cl)c2OCCOc2ccccc2OC)SC1=S 2864074 KWCPERWJHKHPBV-WQRHYEAKSA-N 484.426 5.681 10 50 JKCA Cc1cccc(N[C@@H](c2cccc(OCc3ccccc3)c2)c2ccc3ccc(C)nc3c2O)n1 8452919 IOTRZXZUAZMJBV-NDEPHWFRSA-N 461.565 6.733 10 50 JKCA COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cccc4ccccc34)C2=O)cc1OC 8819467 BQXKMSSIBNFQFC-KQWNVCNZSA-N 492.622 5.477 10 50 JKCA CCOc1cc(/C=C2/C(=O)N(c3ccc(O)cc3)C(=O)N=C2O)ccc1OCc1ccccc1Cl 15836861 KHFSAHADHMBTTO-DEDYPNTBSA-N 492.915 5.530 10 50 JKCA O=C1NC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cccc(OCc2cccc(F)c2)c1 22276478 FWJDGTVSQWECQH-ODLFYWEKSA-N 485.298 5.378 10 50 JKCA O=C(O)CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](C(c1ccccc1)c1ccccc1)N2 217684475 DRIKHERJCMUCBX-IWHLBADBSA-N 452.554 5.177 10 50 JKCA COc1ccc([C@@H](CCN(Cc2ccc(N(C)C)cc2)C(C)=O)[C@@H]2CCOC(C)(C)C2)cc1 892502 XDQPEGIICKELSP-SHQCIBLASA-N 452.639 5.489 10 50 JKCA biogenic N=C1/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C(=O)N=C2SC(C34CC5CC(CC(C5)C3)C4)=NN12 8411337 NEPNCBFNCKYTHV-RAXUZLHHSA-N 491.016 6.436 10 50 JKCA COc1ccc(/C=C/C(=O)Oc2ccc(/C=C3\SC(=S)N(C4CCCCC4)C3=O)cc2)cc1 16115343 LLQGDUHGVHMQKY-CSMLLFHVSA-N 479.623 5.848 10 50 JKCA O=C1/C(=C2/C(=O)N(Cc3ccccc3Cl)c3ccccc32)SC(=S)N1Cc1ccco1 12614362 HXIGNWCKMNKKJH-VXPUYCOJSA-N 466.971 5.251 10 50 JKCA CCC1=NN2C(=N)/C(=C\c3cn(Cc4cccc5ccccc45)c4ccccc34)C(=O)N=C2S1 15800611 AZWGIMHOLOUCCY-VIZRJVHBSA-N 463.566 5.872 10 50 JKCA N=C1/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N=C2SC(Cc3ccccc3)=NN12 15855915 VTWDUIMYHVLVLS-NEAWXCLQSA-N 497.536 5.036 10 50 JKCA COc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccccc1Cl 16192881 LJGQMZNWWZNSCX-XKZIYDEJSA-N 485.989 6.473 10 50 JKCA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C3CCCC3)C2=O)cc1 16700996 UFQUCGFBPFZZJN-ULJHMMPZSA-N 489.666 6.472 10 50 JKCA N=C1/C(=C/c2ccc(-c3ccc(F)c(Cl)c3)o2)C(=O)N=C2SC(c3ccccc3)=NN12 30721844 KHKDHXQGEJTTNK-NJEQYTMISA-N 450.882 5.407 10 50 JKCA COc1ccc2c(c1)c(=O)oc1c(C)c(OCC(=O)c3ccc(Br)cc3)ccc12 1152194 GOYAPUFAOYOBFM-UHFFFAOYSA-N 453.288 5.287 10 50 JKCA Cc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc1 1180822 JTAROFWQNZLJFL-GZTJUZNOSA-N 450.507 5.244 10 50 JKCA Cc1ccc(N2C(=O)/C(=C/c3cc([N+](=O)[O-])ccc3OCc3ccccc3)SC2=S)cc1 3000693 GATIFOKDVZOCFW-HMAPJEAMSA-N 462.552 5.888 10 50 JKCA CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@H](C)CC)C2=O)cc1 13646680 XVCGQDGSYJEWGT-RJDQKLELSA-N 491.682 6.718 10 50 JKCA N=C1/C(=C\c2ccc(Sc3ccccc3)o2)C(=O)N=C2SC(C34CC5CC(CC(C5)C3)C4)=NN12 16266570 KHEBUTCGJYXSMV-WOCAHCDZSA-N 488.638 6.266 10 50 JKCA CCc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3nc4ccccc4s3)C2=O)cc1 1168412 SWUSTLZQMIOWHC-XMHGGMMESA-N 467.641 5.479 10 50 JKCA CC(C)CN1C(=O)/C(=C/c2ccc(OCc3cccc(F)c3)c(Br)c2)SC1=S 2821448 PECMTKUEXDJBAQ-GRSHGNNSSA-N 480.424 6.024 10 50 JKCA CCN1C(=O)/C(=C/c2cc(Cl)c(OCCOc3cc(C)ccc3C)c(OC)c2)SC1=S 2840065 FHHFFMSYZLROGG-MOSHPQCFSA-N 478.035 5.644 10 50 JKCA COc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2cc(Cl)ccc2O)cc1 6925001 IYUSUDFJUNFIKI-NFBKMPQASA-N 485.765 6.059 10 50 JKCA N=C1/C(=C/c2ccc(OCc3ccccc3F)cc2)C(=O)N=C2SC(Cc3ccccc3)=NN12 15837894 VLLKNPZFFKSDEP-WTPQPOPRSA-N 470.529 5.267 10 50 JKCA CCCCC1=NN2C(=N)/C(=C/c3ccc(OCc4ccccc4F)c(OC)c3)C(=O)N=C2S1 15855836 JSCVLBHKQRJLOC-HACRSSKKSA-N 466.538 5.223 10 50 JKCA CCOC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1Cl)N3C[C@H]1CC=C[C@@H]21 101840417 VIQCNXYAZDLQDG-PSODMOPMSA-N 466.408 7.064 10 50 JKCA O=[N+]([O-])c1ccc([C@@H]2[C@@H]3CC=C[C@@H]3c3cc(I)cc4c3N2C[C@@H]2CC=C[C@@H]42)cc1 169682364 VFYVHHBUHDGGNX-QCUMIWAISA-N 496.348 6.094 10 50 JKCA CCOc1cccc(N2C(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C(O)=NC2=S)c1 1203818 ALWRWBFFXZSIFJ-DEDYPNTBSA-N 477.498 5.234 10 50 JKCA O=C(O)CCCCCN1C(=O)/C(=C\c2ccccc2OCc2ccc(Cl)cc2)SC1=S 32694348 WNRSFIZDELJMQI-XSFVSMFZSA-N 476.019 5.765 10 50 JKCA Cc1ccc(CN2C(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)SC2=S)cc1 2364539 SZPYKADOLVLTME-IWIPYMOSSA-N 485.609 6.388 10 50 JKCA Cc1cc(OCCCOc2ccc(Cl)cc2/C=C2/SC(=S)N(C)C2=O)ccc1Cl 2878387 SJWCAGQHWIIRMU-XDHOZWIPSA-N 468.427 5.981 10 50 JKCA COc1cc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)ccc1OCc1ccc(F)cc1 13896974 QQRDDDVQBFCEHM-DDSBZIKFSA-N 492.576 5.613 10 50 JKCA O=C1NC(=O)N(c2cccc3ccccc23)C(=O)/C1=C\c1ccc(-c2ccc(Br)cc2)o1 13915194 GQGODDFGFACUIM-ZHZULCJRSA-N 487.309 5.529 10 50 JKCA O=C1NC(=S)S/C1=C\c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1 15684903 VRXOTPCTGWTRDB-KQWNVCNZSA-N 473.022 6.954 10 50 JKCA COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(OC)c1OCCOc1ccccc1Cl 101363564 GMYRNEUYLJLDFD-RCCKNPSSSA-N 492.959 5.621 10 50 JKCA COc1cc(/C=C2/SC(=S)N(Cc3ccco3)C2=O)ccc1OC(=O)c1ccc(C)cc1 13773599 UWMFZIQCILISAJ-FYJGNVAPSA-N 465.552 5.217 10 50 JKCA CCOc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OC(=O)c1ccc(F)cc1 16667154 APHHBUDRKLTGDF-JCMHNJIXSA-N 479.554 5.849 10 50 JKCA CCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)SC1=S 16805286 JHDHMCMERZQLNE-JCMHNJIXSA-N 479.627 5.558 10 50 JKCA Cc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)C(O)=NC2=S)c1C 1115631 UHDWHKUCQLYPPV-RGVLZGJSSA-N 473.554 5.111 10 50 JKCA Cc1cc(C)cc(Oc2c(C(F)(F)F)oc3c(CN4C[C@H](C)O[C@@H](C)C4)c(O)ccc3c2=O)c1 19597082 KHYYQDGXOOPVAZ-HOTGVXAUSA-N 477.479 5.536 10 50 JKCA biogenic CCCOC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2 226980342 CSMNOQHFKOPPHU-UMTXDNHDSA-N 487.983 6.953 10 50 JKCA CC[C@@H](C)c1ccc(OCCOc2ccc(/C=C3\C(=O)NN(c4ccccc4)C3=O)cc2)cc1 9065857 KUYXJDDDVSUKHM-KHKYUJEISA-N 456.542 5.119 10 50 JKCA COc1cc(Cl)c([C@H](Nc2ccccn2)c2cc(Cl)c3cccnc3c2O)cc1OC 6395430 DLYDEEJRPMOIBZ-NRFANRHFSA-N 456.329 5.861 10 50 JKCA COc1ccc(CN(/N=N/c2nonc2-c2ccccc2)c2nonc2-c2ccccc2)cc1 8826724 PAQHHIBVHJBADE-QCWLDUFUSA-N 453.462 5.501 10 50 JKCA COc1ccc2c(c1)S[C@H](c1ccc(F)c(F)c1)CCN2Cc1cc(OC)c(O)c(OC)c1 14998775 LWFVDQGNCVBZKP-QHCPKHFHSA-N 473.541 5.940 10 50 JKCA COc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1OCc1ccc(C)cc1 15010731 QPIZADGWWRLZMO-UQQQWYQISA-N 475.635 6.027 10 50 JKCA Oc1ccc(Br)cc1[C@H]1Oc2c(Cl)cc(Cl)cc2[C@@H]2CC(c3ccccc3)=NN21 25576385 DKOXKNWDFOGJHH-SIKLNZKXSA-N 490.184 6.704 10 50 JKCA Cc1ccc(SCC2=NN(c3nc4ccccc4s3)C(=O)/C2=C/NCCC(C)C)cc1 100425226 ZIJNNFZUPVDZCV-XMHGGMMESA-N 450.633 5.619 10 50 JKCA O=C(Cn1cc(/C=C2\C(=O)N(c3ccccc3F)C(=S)N=C2O)c2ccccc21)Nc1ccccc1 1211364 ZIWGLRNAMKQXPZ-ZHZULCJRSA-N 498.539 5.091 10 50 JKCA CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(Cl)c1OCCOc1c(C)cccc1C 2847807 MMMNKNYBFXSJHH-ZHZULCJRSA-N 492.062 6.034 10 50 JKCA COc1ccc(N2C(=O)/C(=C\c3ccc(OC(=O)c4ccc(F)cc4)c(OC)c3)SC2=S)cc1 6645225 HZERNSHHANDPOJ-HYARGMPZSA-N 495.553 5.468 10 50 JKCA COc1ccc(N2C(=O)/C(=C\c3ccc(OC(=O)c4cccs4)c(OC)c3)SC2=S)cc1 8749248 FNRDXCCRTDALAE-DEDYPNTBSA-N 483.592 5.390 10 50 JKCA CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCOC)C2=O)c(C)c1 2366059 PRKIATVAJSEHQT-JCMHNJIXSA-N 479.627 5.094 10 50 JKCA COc1ccccc1OCCCOc1ccc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)cc1 16193321 YANIWJUMHXKMJR-BWAHOGKJSA-N 491.634 6.257 10 50 JKCA CCCC[C@H](CC)CN1C(=O)/C(=C2/C(=O)N(CCC)c3ccc(Br)cc32)SC1=S 16730124 OKQNQTXSEGHPLJ-JGWKNBOWSA-N 495.508 5.994 10 50 JKCA COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OC(=O)c1ccc(C(C)C)cc1 105659716 RRVNEEMYONOLSS-OEAKJJBVSA-N 488.971 6.497 10 50 JKCA CCN1C(=O)/C(=C/c2cc(Br)ccc2OCCOc2ccccc2Cl)SC1=S 2856466 VHNWIZPCQJPGDM-PDGQHHTCSA-N 498.851 5.781 10 50 JKCA CC(C)Cc1nnc(NC(=O)CCCCCN2C(=O)/C(=C\c3cccs3)SC2=S)s1 9472100 CCEMEYBLAREZPR-NTCAYCPXSA-N 480.706 5.198 10 50 JKCA Cc1ccc(C2(c3ccc(C)cc3)O[C@H](c3ccc(N(C)C)c([N+](=O)[O-])c3)Nc3ccccc32)cc1 12447653 GRXFOBRWPNBELO-GDLZYMKVSA-N 479.580 6.710 10 50 JKCA Cc1oc2c(CN3C[C@@]4(C)C[C@H]3CC(C)(C)C4)c(O)ccc2c(=O)c1-c1nc2ccccc2s1 238901051 KQYBKHPFDHPYKD-UULLZXFKSA-N 474.626 6.484 10 50 JKCA O=C(O)c1ccccc1Nc1cccc2c1C(=O)c1cccc(Nc3ccccc3C(=O)O)c1C2=O 4366948 VBKQODJWSGDGNQ-UHFFFAOYSA-N 478.460 5.346 10 50 JKCA CC1=CC(C)(C)N(Cc2ccccc2)c2ccc(/C=C/c3c(C(=O)O)cnc4ncnn34)cc21 253496056 ZXIQLEIWRBHVNF-ZRDIBKRKSA-N 451.530 5.195 10 50 JKCA O=C(COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2)c1ccc(Cl)cc1 1178428 XPEPMBPPFRKPAJ-TVZXLZGTSA-N 488.927 6.114 10 50 JKCA C/C(NCc1ccccc1Cl)=C1\C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 9160862 DVNBLIFSCPGPIS-CJLVFECKSA-N 458.974 5.764 10 50 JKCA CCOc1ccc(/C=C2/C(=O)N(c3ccc(Cl)cc3Cl)C(=S)N=C2O)c(OCC)c1 16675898 MGPZJJFSLGSZGE-OQLLNIDSSA-N 465.358 5.462 10 50 JKCA Cc1cccc(C)c1OCCOc1ccc(/C=C2\SC(=S)N(C)C2=O)cc1Br 32670951 FPLNHHCOWKXUPE-PDGQHHTCSA-N 478.433 5.355 10 50 JKCA CCCCCCN1C(=O)/C(=C2/C(=O)N(CC(=O)Nc3ccc(C)cc3)c3ccccc32)SC1=S 2309360 HWPRKPYPEPFPDY-FCQUAONHSA-N 493.654 5.132 10 50 JKCA O=C1/C(=C/c2cccc(OCCOc3ccccc3Cl)c2)SC(=S)N1c1ccc(F)cc1 3001296 QXAJLHIZCREUKZ-JCMHNJIXSA-N 485.989 6.343 10 50 JKCA CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@H]3CC(C)=C(C)C[C@H]3C(=O)O)c2C(=O)OC)C1 239174192 PMEJTYIMDWFGBO-BPQIPLTHSA-N 461.624 5.462 10 50 JKCA COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OCCCOc1ccccc1 8722067 COINFSAHEYALLR-XIEYBQDHSA-N 491.634 5.945 10 50 JKCA O=C(c1ccccn1)N(C1CC1)[C@H](Cc1ccccc1)C1CCN(Cc2cc(Cl)ccc2O)CC1 20271944 QBMWIKWWEBEPNC-HHHXNRCGSA-N 490.047 5.569 10 50 JKCA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCOC)C2=O)cc1 33352687 OELVQMYZJUPKIL-CJLVFECKSA-N 479.627 5.176 10 50 JKCA O=C1/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)SC(=S)N1Cc1ccccc1 3461329 PZGWSTNQQXEALQ-HMAPJEAMSA-N 462.552 5.575 10 50 JKCA CCN1C(=O)/C(=C\c2cc(Cl)c(OCCCOc3cccc(C)c3C)c(OC)c2)SC1=S 6470397 IGNFJEUZFLOPEW-KGENOOAVSA-N 492.062 6.034 10 50 JKCA COc1ccccc1N1C(=O)/C(=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)C(O)=NC1=S 9009633 BRIKUOQNOPGUIR-UYRXBGFRSA-N 465.962 5.428 10 50 JKCA O=C(O)CCCCCN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)SC1=S 13092532 WXXKUXBYPDFMKT-XSFVSMFZSA-N 476.019 5.765 10 50 JKCA CCOc1ccc(C2=C(/C=C3\SC(=S)NC3=O)[C@H](c3ccccc3)c3ccccc3O2)cc1 13633049 DMRGHHCDPKFISP-HDMRQQGGSA-N 471.603 6.053 10 50 JKCA Cc1ccc(OCCOc2ccccc2)c(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c1 22497154 ALFGAOFBXBKZSF-JCMHNJIXSA-N 451.569 5.447 10 50 JKCA COc1cccc(CN2CCC([C@H](Cc3ccccc3F)N(C)C(=O)c3cccs3)CC2)c1O 20270914 QXCGNCXEEWRSFV-QHCPKHFHSA-N 482.621 5.197 10 50 JKCA COc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Cl)c1OCCCOc1ccccc1Cl 22257757 JZNYJESFBJNMMC-LDADJPATSA-N 484.426 5.681 10 50 JKCA Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1F 2533069 SFGYCLWTSBZHDZ-IWIPYMOSSA-N 485.609 6.388 10 50 JKCA O=C(Oc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1)c1ccc(F)cc1 2998176 KLEDDDPAQOJNJJ-DEDYPNTBSA-N 469.946 6.104 10 50 JKCA Cc1cc(C(=O)[C@H](C)OC(=O)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)c(C)n1-c1ccc(OC(F)F)cc1 221960075 QIVYVVSGNWYKNP-ONOPDARFSA-N 487.543 5.141 10 50 JKCA CCOC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2 229350143 PPYMPWKTHJMRHA-IPVFLDMMSA-N 484.508 5.817 10 50 JKCA O=S(=O)(Nc1cc(Sc2cccc3cccnc23)c(O)c2ccccc12)c1ccc(F)cc1 2685365 HLVJWPTZQDKJQP-UHFFFAOYSA-N 476.554 6.185 10 50 JKCA aggregator COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1C 2864027 DEWHESKRHSDORG-HYARGMPZSA-N 482.026 6.642 10 50 JKCA O=C1/C(=C\c2c(-c3ccccc3)[nH]c3ccccc23)SC(=S)N1c1cccc([N+](=O)[O-])c1 3000014 BQFRYTIGKHPKTG-KGENOOAVSA-N 457.536 6.149 10 50 JKCA O=C(COc1ccccc1)N[C@@H](c1ccccc1Cl)c1cc(Cl)c2cccnc2c1O 6457410 WWYHGNBGETZJPI-QFIPXVFZSA-N 453.325 5.532 10 50 JKCA CCOc1cc(/C=C2/SC(=S)NC2=O)cc(Cl)c1OCCCOc1cccc(OC)c1 15857160 DVPXZOQZASVFAT-XDHOZWIPSA-N 480.007 5.084 10 50 JKCA COc1ccc(OCCCOc2cccc(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)c2)cc1 15857342 ZTSWEKIHNZKIME-XIEYBQDHSA-N 491.634 5.945 10 50 JKCA O=[SH](=O)c1cc([SH](=O)=O)c2c(/N=N\c3ccc(/N=N/c4ccccc4)cc3)c(O)ccc2c1 238791344 OISMZZALJQNNIG-RIIXPHEHSA-N 480.527 5.317 10 50 JKCA O=C1N=C(O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1c1cccc(Br)c1 2251435 PBCDZTDSEAVULY-GZTJUZNOSA-N 482.246 5.124 10 50 JKCA CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCC)C2=O)cc1C 2308495 JNAYCGBODSQZLS-ULJHMMPZSA-N 491.682 6.638 10 50 JKCA CCOC(=O)c1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCCCCCCCCCC2 8455306 QUYLVXZCCZSRQF-OALUTQOASA-N 475.651 6.140 10 50 JKCA O=C1/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)SC(=S)N1c1cccc(C(F)(F)F)c1 6456892 KEASDLTYLFWVEI-LDADJPATSA-N 475.473 5.810 10 50 JKCA CCCCCCN1C(=O)/C(=C2/C(=O)N(CCCC)c3ccc(Br)cc32)SC1=S 16731922 BVRXWPZSJCMYLX-ZCXUNETKSA-N 481.481 5.748 10 50 JKCA CCOc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Cl)c1OCCOc1ccc(OC)cc1 2831912 HLQXQKQUEUOZKZ-UYRXBGFRSA-N 480.007 5.036 10 50 JKCA COc1cc(/C=C2\C(=O)N(c3ccc(C(=O)O)cc3)N=C2C(F)(F)F)ccc1OCc1ccccc1 2995469 OQBIMGGNEYPZDQ-MOSHPQCFSA-N 496.441 5.321 10 50 JKCA Cc1ccc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccc(Cl)cc32)cc1Cl 263619459 YSZUWQFZYIRGDC-UHFFFAOYSA-N 451.375 5.081 10 50 JKCA COc1cc(/C=C2/SC(=S)NC2=O)cc(Cl)c1OCCCOc1ccc(C(C)(C)C)cc1 2882704 AWPXYXRSPXOOHH-XSFVSMFZSA-N 492.062 5.983 10 50 JKCA COCCN1C(=O)/C(=C/c2ccc(OCc3cccc(F)c3)c(Br)c2)SC1=S 2946465 MEGCUXGCUKXLBA-WQRHYEAKSA-N 482.396 5.015 10 50 JKCA CCc1cc(C)cc(OCCOc2c(Cl)cc(/C=C3/SC(=S)N(C)C3=O)cc2OC)c1 2964157 UYLFGIXUWZUVSG-DEDYPNTBSA-N 478.035 5.508 10 50 JKCA COc1ccc(CN2C(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)SC2=S)cc1 2980304 WVLZDKXNTAPKGN-JAIQZWGSSA-N 476.406 6.663 10 50 JKCA O=C(N[C@@H](Nc1ccc(/N=N/c2ccccc2)cc1)C(Cl)(Cl)Cl)c1cccs1 6445998 BQPNPJFQYOYRKV-IRCXXISZSA-N 453.782 6.702 10 50 JKCA N=C1/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)C(=O)N=C2SC(c3ccco3)=NN12 15225784 HVHJURNULQGGCF-HUMIGVHUSA-N 454.920 5.345 10 50 JKCA COc1ccccc1C(=O)Nc1cccc(N2CCC(NCc3csc(-c4ccccc4)n3)CC2)c1 299767868 WUMPLGDNKQMQKM-UHFFFAOYSA-N 498.652 5.830 10 50 JKCA O=C(C(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)c1c(F)c(F)c(F)c(F)c1F 13642872 LPUHARRFIWFXIH-UHFFFAOYSA-N 472.407 6.715 10 50 JKCA COc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OC(=O)c1ccc(F)cc1 13801108 VQEJGSFDZBSMIA-ATASTKJTSA-N 499.523 5.358 10 50 JKCA Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc2ccccc2c1 15012836 RZIQIQUNMUAHOG-IWIPYMOSSA-N 469.541 5.218 10 50 JKCA COc1cc(/C=C2/C(=O)N(c3cccc(Cl)c3)C(=O)N=C2O)ccc1OCc1cccc(F)c1 15836666 PWTQFWFUQIHVHE-RGVLZGJSSA-N 480.879 5.573 10 50 JKCA O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC(=S)N1Cc1ccccc1 19880811 PNVCIVOCLRJBNJ-HZHRSRAPSA-N 488.037 6.594 10 50 JKCA CCN1C(=O)/C(=C/c2ccc(OCCOc3cc(C)ccc3C(C)C)c(OC)c2)SC1=S 2994265 URRGXGBEXPWQEY-HAHDFKILSA-N 471.644 5.806 10 50 JKCA COc1ccc(C(=O)N[C@@H](c2ccc([N+](=O)[O-])cc2)c2cc(Cl)c3cccnc3c2O)cc1 6397259 ZKRWMKUKILVGTA-NRFANRHFSA-N 463.877 5.030 10 50 JKCA biogenic CSCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S 8735647 HSSJGOYABIOKSH-BRYYZUPOSA-N 488.439 5.661 10 50 JKCA CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C(C)C)C2=O)cc1 2303998 PFALMQKZIJKTDS-HMAPJEAMSA-N 463.628 5.936 10 50 JKCA Cc1nc(SCC(=O)c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)c2c3c(sc2n1)CCC3 2679695 ABJJBJPYYCXQPM-UHFFFAOYSA-N 486.037 6.663 10 50 JKCA CCOc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)ccc1OCc1ccc(Cl)cc1Cl 1416181 INAOHXJIHUKXRZ-QGMBQPNBSA-N 498.409 5.257 10 50 JKCA Cc1ccc(C2=NN3C(=N)/C(=C/c4cccc(OCc5ccc(F)cc5)c4)C(=O)N=C3S2)cc1 8493160 YTJRERPATZUVPM-SDOZFXMSSA-N 470.529 5.381 10 50 JKCA CCOc1ccccc1N1C(=O)N=C(O)/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C1=O 8974184 CVIWTVCEWWJYOO-JWGURIENSA-N 465.509 5.595 10 50 JKCA COc1cccc(OCCOc2ccccc2/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)c1 3002161 AYFBNBGQLCJYOE-JLPGSUDCSA-N 477.607 5.867 10 50 JKCA Ic1ccc(/N=N/c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1 3877083 RNCVIMGXIWQGJW-OCEACIFDSA-N 450.283 6.764 10 50 JKCA Cc1ccccc1Cn1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c2ccccc21 15800527 CVSOWXTUJLZIST-MYYYXRDXSA-N 454.620 6.399 10 50 JKCA CCN1C(=O)/C(=C\c2ccc(OCCCOc3cccc(C)c3C)c(OC)c2)SC1=S 6470510 ZTEWOKYJYZESGF-PXLXIMEGSA-N 457.617 5.381 10 50 JKCA CC(C)CN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)SC1=S 25581386 YUMYMWZPQVUMGK-UDWIEESQSA-N 498.471 6.159 10 50 JKCA COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C3CCCC3)C2=O)cc1OC 2533034 XYTGIHCHYXQOHN-HAHDFKILSA-N 491.638 5.700 10 50 JKCA CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(C)n(-c2ccc3c(c2)OCO3)c1C 16246946 CNRSLOJCDSHTNL-VIZOYTHASA-N 489.400 5.324 10 50 JKCA COc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccc(N(C)C)cc2)cc1 25578083 FNQRCMMDHDKNSY-UKILVPOCSA-N 478.390 5.766 10 50 JKCA O=C1/C(=C\c2cccn2Cc2ccccc2[N+](=O)[O-])SC(=S)N1c1ccc(Cl)cc1 1158830 DUCVIMVKZBKTTL-XDHOZWIPSA-N 455.948 5.504 10 50 JKCA CN(C)c1ccc(/C=C2/C(=O)N(c3nc(-c4ccccc4)cs3)N=C2c2ccccc2)cc1 13602349 FOHPUSJXTZSRDE-HAVVHWLPSA-N 450.567 5.711 10 50 JKCA CCOc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccccc1F 16192815 LCMDZIKSCNTWPA-UCQKPKSFSA-N 483.561 6.348 10 50 JKCA CCCSc1nnc2c(n1)O[C@H](c1ccc(N(C)C)cc1)Nc1ccc(Br)cc1-2 2977179 DPYWLKTWJLMHFQ-LJQANCHMSA-N 472.412 5.372 10 50 JKCA CC1=NN(c2cc(Cl)ccc2Cl)C(=O)/C1=C\c1ccc(O)c(I)c1 13914056 BYXVATPYIXNHJL-SDQBBNPISA-N 473.097 5.110 10 50 JKCA O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 22228621 TVEKQWIQYQSUJO-UHFFFAOYSA-N 462.288 6.281 10 50 JKCA Oc1c(Cl)cc(Cl)cc1[C@H]1Oc2ccc(Br)cc2[C@H]2CC(c3cccs3)=NN21 25559607 IEDFKTDQDQWIOB-OXQOHEQNSA-N 496.213 6.765 10 50 JKCA COc1ccc(C2=NN3[C@H](c4cc(Cl)cc(Cl)c4O)Oc4ccc(Cl)cc4[C@H]3C2)cc1 239433397 XPYHNJCMMCIDAV-OFNKIYASSA-N 475.759 6.603 10 50 JKCA C/C(=C1/C(=O)N(c2nc3ccccc3s2)N=C1CSc1ccc(Cl)cc1)N1CCOCC1 671898 WYTQZTPTKWRJJU-QNGOZBTKSA-N 485.034 5.051 10 50 JKCA O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C/c1ccccc1OCc1ccccc1 2311111 XXCIVJKMFRKFBU-NCELDCMTSA-N 455.583 5.058 10 50 JKCA CCCC1=NN2C(=N)/C(=C\c3c(C)n(Cc4ccccc4F)c4ccccc34)C(=O)N=C2S1 8450630 VQGUVZIDCMVJJU-HGEMSSTASA-N 459.550 5.556 10 50 JKCA O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)SC(=S)N1C[C@H]1CCCO1 1182302 QNMSYXXYXSPLFJ-TUNPGAEXSA-N 465.575 5.059 10 50 JKCA O=C1/C(=C/c2ccc(OCc3ccccc3)c(Cl)c2)SC(=S)N1c1ccc(F)cc1 2825433 SEPVHKFCUFEUIU-BKUYFWCQSA-N 455.963 6.464 10 50 JKCA Cc1ccc(-c2cc3c(c(OC[C@@H]4CCCN(C)C4)c2)OCCN(Cc2ccccc2O)C3)s1 14878916 UMIADNUDFXYLEQ-OAQYLSRUSA-N 478.658 5.544 10 50 JKCA O=C1c2ccccc2-c2nc3ccc4ccccc4c3c(-c3ccc(OCc4ccccc4F)cc3)c21 2191624 GWSPPKZGXMHSCM-UHFFFAOYSA-N 481.526 7.985 10 50 JKCA Oc1ccc(Cl)cc1[C@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc4ccccc4c3)=NN21 25577243 JJBMMVFNUIDPEW-JYFHCDHNSA-N 461.348 7.095 10 50 JKCA CCOC(=O)c1c(NC(=O)[C@@H]2C3CCC(CC3)[C@H]2C(=O)O)sc2c1CC[C@@H](C(C)(C)C)C2 35898103 WZBBVSIUHDLBJA-XMMNMGKXSA-N 461.624 5.151 10 50 JKCA Oc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1CN1CCCC[C@H]1CCN1CCCC1 44124577 GZKBHEJPMAZTGA-QHCPKHFHSA-N 465.041 6.178 10 50 JKCA O=C(O)c1ccc(-c2ccc(/C=C3\SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)o2)cc1 2914742 QFQXZZPDZFCBIQ-WQRHYEAKSA-N 475.469 6.069 10 50 JKCA O=C1/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC(=S)N1c1ccc(Cl)cc1Cl 3001283 FSLMFNCXNVTIGJ-ZDLGFXPLSA-N 477.350 6.567 10 50 JKCA CCc1cc2c(=O)c(-c3nc(C)cs3)coc2c(CN2CCC[C@H](c3cccnc3)C2)c1O 11867324 MPNBYOPYBMAXEQ-IBGZPJMESA-N 461.587 5.268 10 50 JKCA O=C1/C(=C/c2cccc(OCCOc3ccccc3Cl)c2)SC(=S)N1Cc1ccccc1 2856568 JXDFSZZTCNNULJ-KQWNVCNZSA-N 482.026 6.199 10 50 JKCA CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 2897360 HTNKNSIINFTQPV-HZHRSRAPSA-N 492.578 5.978 10 50 JKCA O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccccc1Br 8735637 FTSWBOBKRIYHCX-RVDMUPIBSA-N 467.435 5.131 10 50 JKCA O=C(COC(=O)c1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)c1cccc([N+](=O)[O-])c1 9041400 NMPPUPNCHRRDQY-UHFFFAOYSA-N 487.471 6.037 10 50 JKCA COc1cc(-c2c3cn[nH]c3nc3c2oc2c(O)c(O)ccc23)ccc1OCc1ccccc1 218288784 LXOCORIZIGJJEG-UHFFFAOYSA-N 453.454 5.523 10 50 JKCA CC(C)CC(=O)O[C@@H]1[C@H](N2CCCCC2)c2c(ccc(/C=C/C(=O)N3CCCCC3)c2O)OC1(C)C 725824 IVCDQEWYXBNGOX-RIGRNOSFSA-N 498.664 5.074 10 50 JKCA biogenic Cc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3nc(-c4ccccc4)cs3)C2=O)cc1 1780835 DUHZABRSXSFNIH-UYRXBGFRSA-N 465.625 5.349 10 50 JKCA COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 2958843 PPEWVIDUHUXCPF-PXLXIMEGSA-N 497.619 5.177 10 50 JKCA CCOC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCCCCCCCCCC2 8455305 QUYLVXZCCZSRQF-MOPGFXCFSA-N 475.651 6.140 10 50 JKCA CC[C@@H]1CCCCN1Cc1c(O)ccc2c(=O)c(Oc3ccc(OC)cc3)c(C(F)(F)F)oc12 19789767 SIPYLGLFKQBYQJ-OAHLLOKOSA-N 477.479 6.083 10 50 JKCA Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccccc3Br)C2=O)cc1 1180959 KAKHUMJCHJEWMK-QGOAFFKASA-N 475.433 5.378 10 50 JKCA O=C(CCCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S)Nc1ccc(F)cc1 1218753 IQAQBEBJYSYUMC-SFQUDFHCSA-N 479.396 5.208 10 50 JKCA COc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4ccc(C)cc4)cc3)SC2=S)cc1 2984414 YYFSKHJJVTYYCE-IWIPYMOSSA-N 461.608 5.984 10 50 JKCA CCOC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3nnc4sc5ccccc5n34)c2C)cc1 632065 WVTLVSSIPHOOAR-UHFFFAOYSA-N 490.610 5.503 10 50 JKCA Cc1ccc(S(=O)(=O)Nc2cc(-c3c(O)ccc4ccccc34)c(O)c3ccccc23)cc1 1221204 VGXZROWGKNVLCO-UHFFFAOYSA-N 455.535 6.180 10 50 JKCA Cc1oc2c(CN(CC(C)C)CC(C)C)c(O)ccc2c(=O)c1-c1nc2ccccc2s1 1799142 CEMOXKDXSVROBK-UHFFFAOYSA-N 450.604 6.198 10 50 JKCA biogenic COc1ccc(-c2c(C(F)(F)F)oc3c(CN4CCCCCC4)c(O)ccc3c2=O)cc1OC 6148663 GFKQAPSQXLESLL-UHFFFAOYSA-N 477.479 5.578 10 50 JKCA biogenic COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1F 16266524 UEPGJBSHKYHUST-UUMRFZBWSA-N 495.601 5.067 10 50 JKCA COc1c(/C=C2/C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(C(C)(C)C)cc1C(C)(C)C 32143284 AEDDFYRBXDVHEG-NCELDCMTSA-N 466.625 7.125 10 50 JKCA O=C1/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(C(F)(F)F)=NN1c1ccc(Cl)cc1 16156573 BRZQCNHPICZYMX-BOPFTXTBSA-N 461.783 5.857 10 50 JKCA CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1 32669134 IVDUJTXNZYOVTJ-BOPFTXTBSA-N 458.386 5.767 10 50 JKCA COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1[N+](=O)[O-])N2 36056879 FGEICFJXYMMLJN-LJKQEARRSA-N 491.569 5.539 10 50 JKCA COc1c(-c2ccc(O)c(O)c2)oc2c(C/C=C(\C)CCC=C(C)C)c(O)cc(O)c2c1=O 207881934 AHZUPZUDBQBABD-OVCLIPMQSA-N 452.503 5.526 10 50 JKCA biogenic Cc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1C(F)(F)F)N2 1461925 NYAXZRRLPZAONS-KYTVRQNUSA-N 498.570 6.950 10 50 JKCA CCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S 8735648 MTGSGKGWDDMUNU-FSEGOYHTSA-N 456.372 5.708 10 50 JKCA Cc1cc(C)cc(Oc2c(C(F)(F)F)oc3c(CN4C[C@H](C)O[C@H](C)C4)c(O)ccc3c2=O)c1 12445748 KHYYQDGXOOPVAZ-IYBDPMFKSA-N 477.479 5.536 10 50 JKCA biogenic COC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3\SC(=S)NC3=O)c2-c2ccccc2)cc1 22109486 IKGUTJKSHNLGBP-ULJHMMPZSA-N 496.613 6.087 10 50 JKCA C[C@H]1CN(Cc2c(O)ccc3c(=O)c(Oc4ccc5ccccc5c4)c(C(F)(F)F)oc23)C[C@@H](C)O1 13536858 NOFQVNLZFBUKGR-IYBDPMFKSA-N 499.485 6.072 10 50 JKCA biogenic Cc1ccc(CN2C(=O)/C(=C3\SC(=S)N(Cc4ccc(F)cc4)C3=O)c3ccccc32)cc1 16805232 SKGNDJGKWZPPLM-FCQUAONHSA-N 474.582 5.453 10 50 JKCA CC[C@@H](C)c1ccc(OCCOc2ccc(/C=C3\SC(=S)N(CC)C3=O)cc2OC)cc1 22298807 GZYZBENFSPXWSE-CXJVOSNZSA-N 471.644 5.888 10 50 JKCA COc1ccc(N2CCN(C(=O)c3cc4c(C)nn(-c5ccccc5Cl)c4s3)CC2)cc1F 1875290036 LKFCHHUBHVGLSP-UHFFFAOYSA-N 484.984 5.159 10 50 JKCA O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)SC(=S)N1C[C@@H]1CCCO1 1182304 QNMSYXXYXSPLFJ-GAASDFDMSA-N 465.575 5.059 10 50 JKCA CCCCOc1ccc(/C=C2\SC(=S)N(c3ccc(C(=O)OC)cc3)C2=O)cc1OC 1910331 ASFFKXIPDSZJAV-ZHZULCJRSA-N 457.573 5.067 10 50 JKCA CCOC(=O)C(C(=O)OCC)c1cc(Nc2cccc(C)c2)c2c3c(onc13)-c1ccccc1C2=O 2281503 AORRBCKCVKOOMP-UHFFFAOYSA-N 484.508 5.301 10 50 JKCA CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(-c2ccc3c(c2)C(=O)OC3)o1 100148180 YLGNVBPLTPWPJY-YBFXNURJSA-N 463.287 5.186 10 50 JKCA Cc1cc(C(=O)CSc2nnc3sc4ccccc4n23)c(C)n1-c1ccc(Cl)cc1 628474 LPMABXMWTRNFLV-UHFFFAOYSA-N 452.992 5.980 10 50 JKCA CCOc1ccccc1Oc1c(C(F)(F)F)oc2c(CN3CCCCCC3)c(O)ccc2c1=O 19793183 GLJMCOSGLUIFML-UHFFFAOYSA-N 477.479 6.084 10 50 JKCA COc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1Cl)N2 35354348 ZVWNMHXVFZPFQG-QJMRKGMQSA-N 466.990 5.976 10 50 JKCA O=C1/C(=C\c2cn(Cc3ccccc3F)c3ccccc23)SC(=S)N1c1cccc([N+](=O)[O-])c1 2989172 VKHNHDJBUPFTLA-FSJBWODESA-N 489.553 6.143 10 50 JKCA CCCCCCN1C(=O)/C(=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)c2ccccc21 1808310 CILSOZTYDRAFQJ-MRCUWXFGSA-N 452.601 5.398 10 50 JKCA O=C1/C(=C\c2cc([N+](=O)[O-])ccc2Sc2ccccn2)SC(=S)N1Cc1ccccc1 9311755 UHDIOEOWZBGZBY-CPNJWEJPSA-N 465.581 5.542 10 50 JKCA COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cc(Br)ccc2O)cc1 25577655 UIYHQXLOTCBVOF-NFBKMPQASA-N 485.765 6.059 10 50 JKCA Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(Cl)cc1 657204 RHKOOZHNIQVXET-UDWIEESQSA-N 470.381 5.232 10 50 JKCA O=C1NC(=S)S/C1=C/c1cc(Br)ccc1OCCCOc1ccc(Cl)cc1 2844067 OSVVBASSTYOMJV-GZTJUZNOSA-N 484.824 5.439 10 50 JKCA COc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4cccc(F)c4)cc3)SC2=S)cc1 2953324 WWGVITYWTRKSNA-UCQKPKSFSA-N 465.571 5.815 10 50 JKCA CCOc1ccccc1NC(=O)CCCN1C(=O)/C(=C/c2ccc(CC)cc2)SC1=S 8764019 NAFDERGABSQJCW-PGMHBOJBSA-N 454.617 5.268 10 50 JKCA CCOc1cc(/C=C2/SC(=S)NC2=O)ccc1OCCCOc1ccccc1[C@H](C)CC 22257692 QLBITZKRWBBKJY-BXDFRRGMSA-N 471.644 5.936 10 50 JKCA O=C(O)c1cc(-c2ccc(/C=C3/NC(=S)N(c4ccc(Cl)cc4)C3=O)o2)ccc1Cl 220958658 MDBJDNPOWLYEPO-LICLKQGHSA-N 459.310 5.214 10 50 JKCA C/C(=C1/SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O)c1cccc(Br)c1 2700294 CCWWJNYYUQOULQ-GDNBJRDFSA-N 458.324 6.264 10 50 JKCA COc1ccc(C(=O)N[C@@H](c2ccccc2Cl)c2cc(Cl)c3cccnc3c2O)cc1 6397280 XXIXVRIIZYQKQQ-NRFANRHFSA-N 453.325 5.775 10 50 JKCA COc1cc(/C=C2\SC(=S)NC2=O)ccc1OCCOc1ccc(C2CCCCC2)cc1 12285301 CNCATDBTPDCNCB-KQWNVCNZSA-N 469.628 5.690 10 50 JKCA CN(C)c1ccc([C@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 15224669 DZGBIOKDKSIMLM-ISKFKSNPSA-N 482.809 6.411 10 50 JKCA COc1cc(/C=C2/C(=O)N(c3cccc(Br)c3)N=C2C)ccc1OCCc1ccccc1 101340351 XFSZRXWSMKXGPL-HZHRSRAPSA-N 491.385 5.885 10 50 JKCA Cc1cccc(OCCCOc2ccc(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)cc2)c1 12285112 DBYKOYYCGHPITP-XIEYBQDHSA-N 475.635 6.244 10 50 JKCA Cc1ccc(CNC(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2ccc([N+](=O)[O-])cc2)N3)cc1C 36056671 DHHKXFZQQNWVNJ-OASJLCFRSA-N 453.542 5.968 10 50 JKCA O=C1/C(=C/c2ccc(OCc3ccc(F)cc3)c(Cl)c2)SC(=S)N1Cc1ccc(F)cc1 2938473 JHGKGPNAIOLZOC-UUYOSTAYSA-N 487.980 6.599 10 50 JKCA O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2)N1CCCCCC1 16156542 CRXMZSSIDMULFK-LGVFNWMJSA-N 451.408 6.292 10 50 JKCA CCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cc(C(C)C)ccc2C)SC1=S 2672581 HOSASJJTTWVQFD-UQQQWYQISA-N 489.710 7.363 10 50 JKCA O=C1/C(=C\Nc2ccc(F)cc2)C(c2cc([N+](=O)[O-])c(Cl)cc2Cl)=NN1c1ccccc1 8453941 XUIIBVAJHKPJKP-ATVHPVEESA-N 471.275 5.788 10 50 JKCA O=[N+]([O-])c1cccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4F)cc3[C@H]3C=CC[C@H]32)c1 9010390 NMPCNLTVYJUYKI-GLDPYIMESA-N 465.506 5.361 10 50 JKCA N=C1/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N=C2SC(c3ccccc3)=NN12 16183085 YANKBOYLVZJZNV-XCOJNYNVSA-N 477.889 5.176 10 50 JKCA CCC1=NN2C(=N)/C(=C\c3ccccc3OCCCOc3ccc(C)c(C)c3)C(=O)N=C2S1 16192813 MVIMOXXPMKRSSN-SUYASHRRSA-N 462.575 5.181 10 50 JKCA CCCC[C@@H](CC)CN1C(=O)/C(=C2/C(=O)N(CCC)c3ccc(Br)cc32)SC1=S 16730121 OKQNQTXSEGHPLJ-ORIGZDJFSA-N 495.508 5.994 10 50 JKCA COc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OCc1ccc(Cl)cc1 2668065 LLYNSNKHJUOHKW-WMWHPZEKSA-N 496.053 6.890 10 50 JKCA C[C@@H](Cc1cncs1)NC1CCN(c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)CC1 12040843 SHTFADDJNBGPOR-KRWDZBQOSA-N 488.579 5.604 10 50 JKCA COc1ccc(OCCOc2ccccc2/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1 15800403 ILAPWFQFVOTERD-QJOMJCCJSA-N 463.580 5.559 10 50 JKCA Cc1c(C(=O)O)cccc1-c1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)o1 2996747 NQOTWNOWIBIGCL-YBFXNURJSA-N 489.496 6.378 10 50 JKCA CCN1C(=O)/C(=C\c2cc(Cl)c(OCCOc3cccc(OC)c3)c(OC)c2)SC1=S 6470403 WHGOPPMUPWHAQY-XDHOZWIPSA-N 480.007 5.036 10 50 JKCA Cc1ccc(Sc2c(C(=O)Nc3ccc(F)cc3)ccc3c2C(=O)c2ccccc2C3=O)cc1 12461903 CPEDFGNMWXQPEH-UHFFFAOYSA-N 467.521 6.313 10 50 JKCA COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)o1 13898727 LZFZFMFOQBEODV-WPTKKBASSA-N 479.518 5.063 10 50 JKCA O=C1N[C@@](c2ccc(N3CCOCC3)cc2)(c2ccsc2)CC(O)=C1Sc1ccccc1Cl 584905560 SUFXXEIVBZJOAP-VWLOTQADSA-N 499.057 5.564 10 50 JKCA in-vitro CC[C@H](C)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC1=S 2367492 RDWNZDJRGRKXCS-HYTQYMIGSA-N 454.020 6.192 10 50 JKCA CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@H](C)CC)C2=O)c(C)c1 2671914 HHNKLLFWWDFFOC-OYADDEIPSA-N 477.655 6.246 10 50 JKCA COc1cccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4c(C)cccc4C)cc3[C@@H]3C=CC[C@H]32)c1OC 16425994 FGZDGHZXRFEERU-LGVUCKNBSA-N 490.625 5.948 10 50 JKCA COc1cc(/C=C2/SC(=S)N(Cc3ccco3)C2=O)ccc1OC(=O)c1cccc(C)c1 13773794 QWNIZZQKHNRDQA-FYJGNVAPSA-N 465.552 5.217 10 50 JKCA COc1ccc(OCCOc2cccc(/C=C3\SC(=S)N(c4ccccc4C)C3=O)c2)cc1 3001990 HMHDPULBDJRUPJ-ULJHMMPZSA-N 477.607 5.867 10 50 JKCA O=C1C(=CNc2ccccc2-c2ccccc2)C(=O)N(C2CCCCC2)C(=O)N1C1CCCCC1 7091939 KYGDRYKHZXFUEX-UHFFFAOYSA-N 471.601 6.106 10 50 JKCA COc1ccc(CN2CCC3(CC2)C[C@H]3C(=O)NCCC(c2ccccc2)c2ccccc2)c(O)c1 12034907 WGCWLJDADSQUQK-NDEPHWFRSA-N 484.640 5.341 10 50 JKCA COc1ccc2c(c1)S[C@@H](c1ccc(F)cc1F)CCN2Cc1cc(OC)c(O)c(OC)c1 12152312 GSYRSIDMHXJTBJ-HSZRJFAPSA-N 473.541 5.940 10 50 JKCA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@H](C)CC)C2=O)cc1 13644301 YWINDTSINQDVBZ-MPGAHLTBSA-N 477.655 6.328 10 50 JKCA Cc1ccc(C)c(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(Cc3ccccc3)C2=O)c1 33615928 RSJZMULUNLUBCU-PCLIKHOPSA-N 481.646 6.558 10 50 JKCA O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C(C(F)(F)F)=NN1c1ccccc1 1797796 FCKIYFSGAYSLNY-JCMHNJIXSA-N 476.433 6.027 10 50 JKCA O=C(O)CCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc3ccccc3c2)SC1=S 2687939 WCAKWOAKFAYWAY-KQWNVCNZSA-N 499.617 5.759 10 50 JKCA CCN1C(=O)/C(=C/c2cc(Cl)ccc2OCCOc2ccc(Br)cc2)SC1=S 2993786 UMSFJOHKVUOKGB-PDGQHHTCSA-N 498.851 5.781 10 50 JKCA CCOc1cc(/C=C2\SC(=S)N(CCOC)C2=O)cc(Cl)c1OCc1ccccc1F 15010776 MGDGATQEXAPGBV-UNOMPAQXSA-N 481.998 5.304 10 50 JKCA CC(C)(C)OC(=O)NCCNC(=O)c1ccc(/N=N/c2ccc(OCCCN=[N+]=[N-])cc2)cc1 95100132 IEGYTTZAHJJGLG-ZQHSETAFSA-N 467.530 5.436 10 50 JKCA COc1ccc(CN2C(=O)/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)SC2=S)cc1 1167122 CBAWULYTDRLNRL-NDENLUEZSA-N 452.513 5.265 10 50 JKCA COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)cc(Cl)c1OC(=O)c1ccccc1 2823390 ZCRPLLHDFJXBFZ-STZFKDTASA-N 496.009 6.282 10 50 JKCA CCOc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Cl)c1OCCCOc1cccc(C)c1C 2882748 VXODKLAGFKYIGK-KGENOOAVSA-N 492.062 6.034 10 50 JKCA Cc1c(N2C(=O)/C(=C/c3ccc(Cl)c(Cl)c3)SC2=S)c(=O)n(-c2ccccc2)n1C 2682506 VRZDZAQRJMNRNX-BOPFTXTBSA-N 476.410 5.197 10 50 JKCA Cc1ccc(OCCCOc2c(Cl)cc(Cl)cc2/C=C2/SC(=S)NC2=O)cc1 2852086 IEQMEHBMHSQUHY-LICLKQGHSA-N 454.400 5.639 10 50 JKCA COc1ccc2c(c1)S[C@@H](c1ccc(F)c(F)c1)CCN2Cc1ccc(OCCO)cc1 11786450 RGGDASBRXQWGTM-XMMPIXPASA-N 457.542 5.588 10 50 JKCA Cc1nc2ccccc2nc1-c1ccc(N=[N+]([O-])c2ccc(-c3nc4ccccc4nc3C)cc2)cc1 257355882 DFQPITYGXWWMAR-UHFFFAOYSA-N 482.547 7.450 10 50 JKCA Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3cccc(Br)c3)C2=O)cc1 1182532 ZZXBPCVLOZFYGW-LDADJPATSA-N 475.433 5.378 10 50 JKCA O=C(O)c1cccc(-c2ccc(/C=C3\C(=O)N(c4cccc(Br)c4)C(=S)N=C3O)o2)c1 15723347 FPCUCJCVPAQPDX-BOPFTXTBSA-N 497.326 5.079 10 50 JKCA CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)ccc1OCCCOc1ccccc1C 22257322 GTPYFDOUWQOCHQ-CJLVFECKSA-N 457.617 5.463 10 50 JKCA C[C@H](c1ccccc1)N1C(=O)/C(=C2/C(=O)N(Cc3ccccc3)c3ccccc32)SC1=S 25581019 XCANHBAVYHKNLM-LBNMDVIHSA-N 456.592 5.566 10 50 JKCA COc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OC(=O)c1ccc(F)cc1 2997806 QUHCVLWMEBBIOX-CIAFOILYSA-N 499.972 6.113 10 50 JKCA COc1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OCc1ccccc1Cl 9659467 WYZZMJZVZGBGRG-JEWPXRFISA-N 494.882 5.109 10 50 JKCA COc1ccc2c(c1)S[C@@H](c1ccc3c(c1)OCO3)CCN2Cc1c[nH]nc1-c1ccccc1 12151172 ADBULOSFSONIRQ-RUZDIDTESA-N 471.582 6.058 10 50 JKCA O=C1Nc2ccc(Br)cc2/C1=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21 15016445 AJORNFRPAAETTG-QZQOTICOSA-N 465.734 5.512 10 50 JKCA CC1=NN(c2ccccc2)C(=O)/C1=C(\C=C\c1ccc(N(C)C)cc1)c1ccc(Br)cc1 16667861 SOXLXEJHWYJINH-OJVFEGSTSA-N 486.413 6.405 10 50 JKCA Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)C2=O)c1 1177218 DROHSHNWFMZXKL-XKZIYDEJSA-N 463.534 5.217 10 50 JKCA COc1ccc(C2=C(/C=C3\SC(=S)NC3=O)[C@H](c3ccccc3)c3ccccc3O2)cc1 1896577 YLGGDAUKVCWTPA-UAPYWLNTSA-N 457.576 5.663 10 50 JKCA CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)ccc1OCc1ccccc1F 16212611 NNKJCSAQPZDHAQ-JCMHNJIXSA-N 488.515 5.032 10 50 JKCA C[C@H]1CN(Cc2c(O)ccc3c(=O)c(Oc4ccccc4Cl)c(C(F)(F)F)oc23)C[C@@H](C)O1 16293165 NFUMCZIDIFZIKQ-BETUJISGSA-N 483.870 5.572 10 50 JKCA CCOc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Cl)c1OCCCOc1ccc(OC)cc1 22257884 IPJIBZUVBMIXCR-XSFVSMFZSA-N 494.034 5.426 10 50 JKCA CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCCCC3)=NC2=O)c(C)c1 16700765 UPURRQFUVHKAEA-ULJHMMPZSA-N 472.614 5.703 10 50 JKCA COc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1OCc1ccccc1 220977750 GWMACNKFTKVQKN-XHPQRKPJSA-N 460.533 6.109 10 50 JKCA COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OC(=O)c1sc2cc(C)ccc2c1Cl 2286538 SKORUAQWKZTZBH-YVLHZVERSA-N 490.027 5.922 10 50 JKCA CCCCCCN1C(=O)/C(=C2/C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)SC1=S 2672170 PFJCYESLCLLSCH-MRCUWXFGSA-N 471.047 6.039 10 50 JKCA Cc1ccc(CN2C(=O)/C(=C/c3ccc(OC(=O)/C=C/c4ccccc4)cc3)SC2=S)cc1 2811876 QHSMOAHFZCWXQM-WDALZOHFSA-N 471.603 6.015 10 50 JKCA COC(=O)C1=C(C(=O)OC)N(c2cccc(C)c2)/C(=C2/C(=S)C(C)(C)Nc3ccccc32)S1 100324400 GXWIBJFJQXUMFJ-PYCFMQQDSA-N 480.611 5.049 10 50 JKCA COc1cc(C2=NN3[C@H](C2)c2ccccc2OC32CCN([C@H]3CCCc4ccccc43)CC2)ccc1O 227031265 DKFADJYGARCBKX-RRPNLBNLSA-N 495.623 5.814 10 50 JKCA COc1ccc(N2CCN(C(=O)c3cc4c(C)nn(Cc5ccccc5Cl)c4s3)CC2)cc1 248045581 VDMAGPRQKRTVNC-UHFFFAOYSA-N 481.021 5.079 10 50 JKCA CCOc1cccc(N2C(=O)N=C(O)/C(=C\c3cc(C)n(-c4ccccc4C(F)(F)F)c3C)C2=O)c1 1154277 UCNGAPYRLRZCCL-DEDYPNTBSA-N 497.473 6.018 10 50 JKCA CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)ccc1OCCCOc1ccc(Cl)cc1 13943443 OYTXXAXZZDGHII-RCCKNPSSSA-N 478.035 5.808 10 50 JKCA COc1ccc(N2CCN(C(=O)c3ccc4c(c3)[C@@H]3[C@H]5CC[C@@H](C5)[C@@H]3[C@@H](c3ccccc3)N4)CC2)cc1 222386120 NATSMZNMWIDBHL-XRSKNVFJSA-N 493.651 5.954 10 50 JKCA Oc1ccc2ccccc2c1/N=N/c1c(Br)cc(Br)cc1-c1nnn[nH]1 9438811 WENSDJBUUOCVKU-QZQOTICOSA-N 474.116 5.666 10 50 JKCA O=C1C(=Cc2ccc(-c3cccc(Cl)c3)o2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 829399 BCFKUHGUDBPYTN-UHFFFAOYSA-N 484.964 6.348 10 50 JKCA O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C/c1ccc(OCc2ccccc2)cc1 13811301 NNFBVPZALIRGAR-LGUFXXKBSA-N 469.610 5.054 10 50 JKCA O=C(CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccc(F)c(Cl)c1 2381798 CCZXFPQLRYUOKH-SFQUDFHCSA-N 469.028 5.941 10 50 JKCA Nc1c(C(=O)OCc2ccccc2)sc2nc3c(c(-c4ccccc4)c12)CC/C3=C/c1ccccc1 16134039 RVESTTMUFITKCQ-NKFKGCMQSA-N 488.612 7.389 10 50 JKCA CCCC1=NN2C(=N)/C(=C\c3ccc(OCc4ccccc4F)c(Cl)c3)C(=O)N=C2S1 16213310 KJEWCQZKWQOWPV-DSKFECOOSA-N 456.930 5.477 10 50 JKCA COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC(C)C)C2=O)cc1OC 16805296 LQDCUIVTUKKKJD-XKZIYDEJSA-N 479.627 5.414 10 50 JKCA Cc1cccc(N2CCN(CN3C(=O)/C(=C/c4ccc(C(C)(C)C)cc4)SC3=S)CC2)c1 22216036 HCHGBZROIIPHMI-QJOMJCCJSA-N 465.688 5.273 10 50 JKCA Oc1ccc(Br)cc1[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc(Cl)cc3)=NN12 25579401 GJJCJUAAIXWKPV-KNQAVFIVSA-N 490.184 6.704 10 50 JKCA CCCC[C@H](CC)CN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccs2)SC1=S 33939621 JNZIMBGDSPCJFC-LUJYGJGBSA-N 481.712 7.018 10 50 JKCA COc1ccc(C(=O)N[C@H](c2ccccc2Cl)c2cc(Cl)c3cccnc3c2O)cc1 6397379 XXIXVRIIZYQKQQ-OAQYLSRUSA-N 453.325 5.775 10 50 JKCA O=C(COc1ccccc1)N[C@H](c1ccc(Cl)cc1Cl)c1cc(Cl)c2cccnc2c1O 15821595 QCPBHAIATKWTDJ-JOCHJYFZSA-N 487.770 6.185 10 50 JKCA CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)ccc1OCCCOc1ccc(CC)cc1 22257898 GEVXFCUJLJKCLM-HAVVHWLPSA-N 471.644 5.717 10 50 JKCA Cc1cc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCCCC3)=NC2=O)ccc1OC(C)C 26687547 ZPNHPVGGUNGUQU-UQQQWYQISA-N 486.641 6.091 10 50 JKCA CC[C@H](C)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2)SC1=S 2367007 KBFRDJWVWOWKGQ-JYBCESJWSA-N 477.655 6.326 10 50 JKCA O=C(Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2)c1ccc(Cl)cc1Cl 2814589 PSKHPKXSJDHLJA-YDIMBITNSA-N 480.351 6.980 10 50 JKCA CCOc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Br)c1OCc1ccccc1F 2960107 DZTSAJQVWFOFLK-LICLKQGHSA-N 482.396 5.397 10 50 JKCA O=C(O)CCCCCCCCCCN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 8765659 IPWYDDKMYNJTTO-SDXDJHTJSA-N 484.481 6.246 10 50 JKCA CCN1C(=O)/C(=C\c2cccc(OC)c2OCCCOc2cc(C)ccc2C)SC1=S 22257358 DDKBNAZQAVDIHR-RCCKNPSSSA-N 457.617 5.381 10 50 JKCA CC(C)CN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)SC1=S 25581376 RGBVEHBRGSUACC-UDWIEESQSA-N 464.572 5.305 10 50 JKCA COc1cc([C@H]2CC(=O)Oc3c2c2nc4ccccc4nc2c2ccccc32)cc(OC)c1O 217672277 VOXRXOOVJUXRLN-QGZVFWFLSA-N 452.466 5.100 10 50 JKCA biogenic Cc1c(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 220957478 IWWIQNSINCKLCF-MFKUBSTISA-N 499.617 6.308 10 50 JKCA O=C1/C(=C/c2ccccc2OCc2ccccc2[N+](=O)[O-])SC(=S)N1Cc1ccccc1 3003742 GSOSMOZMTJNXTH-HMAPJEAMSA-N 462.552 5.575 10 50 JKCA CC(C)(C)c1cc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)cc(C(C)(C)C)c1O 13547639 DRUKIMSLTGQWEJ-MTJSOVHGSA-N 483.655 6.117 10 50 JKCA COc1ccc(/N=N/c2cc(C(=O)Nc3ccccc3N(C)C)c(O)c3ccccc23)c(OC)c1 4044760 QEYMSAJZWKNPRJ-QVIHXGFCSA-N 470.529 6.296 10 50 JKCA O=C1/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)SC(=S)N1CCc1ccccc1 9295909 PFCZTMVNVSGGSQ-KQWNVCNZSA-N 476.579 5.618 10 50 JKCA COc1ccc(N2CCN3c4cc(Cl)ccc4C[C@@]4(C(=O)N(c5ccccc5)N=C4C)[C@@H]3C2)cc1 169793319 HPOGXLKBIXABFL-XCZPVHLTSA-N 487.003 5.009 10 50 JKCA biogenic COCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cc(C)ccc2C)SC1=S 2287884 CZYOGTRWLIXWNF-JCMHNJIXSA-N 463.628 5.394 10 50 JKCA CCN(CC)c1ccc([C@H]2Nc3ccccc3-c3nnc(SCc4ccccc4)nc3O2)cc1 2874322 OSNNXQVLHCPCTA-VWLOTQADSA-N 469.614 6.180 10 50 JKCA COC(=O)c1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)SC1=S 2994107 GQSHNWJYKKYJIA-UDWIEESQSA-N 480.523 5.356 10 50 JKCA O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc2c(c1OCC(F)(F)F)C(=O)c1ccccc1C2=O 12377229 IDBNJTOICASFCP-UHFFFAOYSA-N 494.252 5.962 10 50 JKCA COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCCCOc1ccccc1 13897287 JFOHPMHOUOMZHU-HKOYGPOVSA-N 477.607 5.949 10 50 JKCA C[C@H]1CN(C2CCN(c3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3)CC2)C[C@@H](C)O1 19757996 ZWTGDDLZGXOHHA-HDICACEKSA-N 461.528 5.036 10 50 JKCA CCc1ccc(OCCCOc2ccc(/C=C3/SC(=S)N(CC)C3=O)cc2OC)cc1 22257876 YCRMFXQTALBGGB-CJLVFECKSA-N 457.617 5.327 10 50 JKCA O=C1N=C(O)/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1c1ccccc1Cl 1185660 GKPNJUSTIGGLPY-CPNJWEJPSA-N 477.860 5.334 10 50 JKCA CCN1C(=O)/C(=C/c2cc(Br)c(OCCOc3ccccc3)c(OC)c2)SC1=S 2994146 LPDOAMHANVSQST-AQTBWJFISA-N 494.432 5.137 10 50 JKCA COc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Br)c1OCc1ccc(F)cc1 15012135 ICFHESQKPLRNRH-CXUHLZMHSA-N 468.369 5.007 10 50 JKCA Cc1ccc(C(C)C)cc1-c1nn(-c2ccccc2)cc1/C=C1/SC(=S)N(CCC(=O)O)C1=O 19800537 HTRGISJXWCFPSG-HYARGMPZSA-N 491.638 5.647 10 50 JKCA CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)ccc1OCCCOc1ccccc1OC 22257665 AZQCWTWDEXXGIG-CJLVFECKSA-N 473.616 5.163 10 50 JKCA O=C(CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccc(Cl)c(Cl)c1 2381806 HCEQGHDZPWHFAJ-SFQUDFHCSA-N 485.483 6.455 10 50 JKCA COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OCc1ccc(F)cc1 2850185 ADPAFCMKFCUWDU-OEAKJJBVSA-N 465.571 5.815 10 50 JKCA CCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cc(C(C)C)ccc2C)SC1=S 34857426 QNSRKOIADHLQFE-LFVJCYFKSA-N 475.683 6.972 10 50 JKCA CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OC(=O)c1ccco1 1013699 GOVIKCXDHNPDID-XSFVSMFZSA-N 451.525 5.303 10 50 JKCA CCc1ccc(Oc2c(C(F)(F)F)oc3c(CN4C[C@H](C)O[C@H](C)C4)c(O)ccc3c2=O)cc1 12374178 XOOJCFHQWJTIQF-GASCZTMLSA-N 477.479 5.481 10 50 JKCA C/C(Nc1cc(Cl)ccc1O)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 12378696 QXRRLXZPXJAYRC-STZFKDTASA-N 460.946 5.792 10 50 JKCA Cc1ccc(COc2cccc(/C=C3/SC(=S)N([C@H](C(=O)O)c4ccccc4)C3=O)c2)cc1 32694361 PLERMQVKSNXUAH-DWFNGTSHSA-N 475.591 5.601 10 50 JKCA COc1cc(/C=C2\SC(=S)N(CCCc3ccccc3)C2=O)ccc1OCc1ccccc1F 9296085 FANQEMXPQIELHT-UQQQWYQISA-N 493.625 6.247 10 50 JKCA O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 15799112 NZBWCNBQVZVCAO-UHFFFAOYSA-N 460.700 5.440 10 50 JKCA COc1ccc(OCCCOc2cccc(/C=C3\SC(=S)N(c4ccc(F)cc4)C3=O)c2)cc1 16193216 NFYXHBFWRAOOLV-ULJHMMPZSA-N 495.597 6.088 10 50 JKCA CC[C@@H](C)c1ccc(OCCCOc2c(/C=C3/SC(=S)NC3=O)cccc2OC)cc1 22257523 WAFPWXJGEKARAS-GXPOEHQZSA-N 457.617 5.545 10 50 JKCA O=C(O)CCCCCN1C(=O)/C(=C\c2ccccc2OCc2ccccc2Cl)SC1=S 32694347 AOFJYOOACGLUCU-XSFVSMFZSA-N 476.019 5.765 10 50 JKCA CCOc1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccccc3Cl)SC2=S)cc1 1181791 UVECXGDLWRUNCJ-RGEXLXHISA-N 461.008 5.359 10 50 JKCA COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC(C)C)C2=O)cc1Cl 16730234 ZDGMHSALNUAVTA-MTJSOVHGSA-N 484.046 6.059 10 50 JKCA O=C1/C(=C/c2ccccc2OCCCOc2ccccc2)SC(=S)N1Cc1ccco1 22497075 QMIWIODPYNTVLU-JWGURIENSA-N 451.569 5.529 10 50 JKCA CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21c2ccccc2C(=O)N1CCN 87489320 HSABBFJVLMEXKT-UHFFFAOYSA-N 484.644 5.191 10 50 JKCA in-vitro COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1[N+](=O)[O-])N2 14165956 FGEICFJXYMMLJN-UYXZNNOOSA-N 491.569 5.539 10 50 JKCA CCOc1cc(OCC)c(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)cc1Br 15010782 FWMJBLBXQRAOMO-NVMNQCDNSA-N 479.421 5.043 10 50 JKCA CC[C@H](C)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(C)c(F)c2)SC1=S 16729815 XCHFBAMMPCUAPP-JHDSZEHQSA-N 451.592 5.987 10 50 JKCA Cc1ccc(COc2cccc(/C=C3/SC(=S)N(CCCCCC(=O)O)C3=O)c2)cc1 25761386 LGJJUXFCGSQMPV-RCCKNPSSSA-N 455.601 5.420 10 50 JKCA CCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3CC[C@@H](C3=C(C)C)[C@H]2C(=O)O)sc2c1CC[C@H](CC)C2 239425708 VAVYKRZJAZHPON-LBBLDFNBSA-N 459.608 5.071 10 50 JKCA COCCN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)SC1=S 2976114 KKWXRVRIMDDYSQ-ODLFYWEKSA-N 484.426 5.429 10 50 JKCA CN(C)c1ccc([C@@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 15224664 DZGBIOKDKSIMLM-UPVQGACJSA-N 482.809 6.411 10 50 JKCA COC(=O)c1c(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)sc2c1CC[C@H](C(C)(C)C)C2 949695 BQLOSQRTOJZFOO-UGSOOPFHSA-N 472.632 5.127 10 50 JKCA CC[C@H](NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)C12CC3CC(CC(C3)C1)C2 12418781 PEIGCOADANROCK-JHXQMKRWSA-N 472.541 5.095 10 50 JKCA O=C(/C=C/c1ccccc1)N[C@@H](Nc1ccc(/N=N/c2ccccc2)cc1)C(Cl)(Cl)Cl 16699623 YILBAQDXYGUBKJ-QBCMJKSNSA-N 473.791 7.040 10 50 JKCA Cc1ccc(C)c(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)c1 33432156 ITDBCRWUFKNPGV-KURUZVKSSA-N 475.639 5.536 10 50 JKCA COc1cc(OC)cc(C2=NN(C(=O)c3ccc(Br)o3)[C@@H](c3ccc(N(C)C)cc3)C2)c1 170615650 MMCWAPSAGLXCQK-OAQYLSRUSA-N 498.377 5.117 10 50 JKCA CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2)SC1=S 2678140 FXCSVHYYKPCSJQ-HMAPJEAMSA-N 463.628 5.795 10 50 JKCA CCOc1cc(/C=C2/SC(=S)NC2=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 2856632 BYAPMMVWPWLXAS-LZYBPNLTSA-N 474.818 6.113 10 50 JKCA COc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Cl)c1OCCOc1ccc(C(C)(C)C)cc1 2958399 OATXOCLGVIORHD-XSFVSMFZSA-N 492.062 5.935 10 50 JKCA Cc1ccc(OCCOc2ccccc2)c(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1 22358364 HXCIOIIQSKSJLV-ULJHMMPZSA-N 461.608 5.854 10 50 JKCA O=C1/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)SC(=S)N1c1ccc(F)cc1 3003740 CTLIWJQWSIGBOX-QRVIBDJDSA-N 489.553 6.143 10 50 JKCA O=C(O)c1cccc(Nc2cc(N3CCCCCC3)c3noc4c3c2C(=O)c2ccccc2-4)c1 3742016 UAEULQWANHYLGJ-UHFFFAOYSA-N 453.498 5.861 10 50 JKCA COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)SC2=S)cc1 8872055 KDIXMTKKOHXWNO-YBFXNURJSA-N 462.379 6.668 10 50 JKCA O=C(O)CCCCCN1C(=O)/C(=C\c2ccc(OCc3ccccc3Cl)cc2)SC1=S 26771456 UHJZRZADRNOVMG-XSFVSMFZSA-N 476.019 5.765 10 50 JKCA COc1ccc(CCN2C(=O)/C(=C/c3ccc(Cl)cc3Cl)SC2=S)cc1OC 1189506 GBQROKFBDRJWTE-ZDLGFXPLSA-N 454.400 5.455 10 50 JKCA CCOc1cc(/C=C2\SC(=S)N(CCCOC)C2=O)ccc1OCc1ccc(Cl)cc1 9030398 OKECTGCKWSXWAW-STZFKDTASA-N 478.035 5.555 10 50 JKCA O=C1/C(=C/C=C/c2ccccc2)C(=O)N(c2ccc(Br)cc2)C(=S)N1c1ccccc1 16511989 IMBZRHYIAXIPLS-JEUHMODBSA-N 489.394 5.754 10 50 JKCA COc1cc([N+](=O)[O-])ccc1/N=N/c1c(O)c(C(=O)N(C)c2ccccc2)cc2ccccc12 22780519 VLORWCVUZOZIEU-CYYJNZCTSA-N 456.458 6.154 10 50 JKCA O=C1N=C(O)/C(=C\c2cn(Cc3ccccc3Cl)c3ccccc23)C(=O)N1c1ccc2c(c1)OCO2 15799362 SXDHAGBNOBDRPD-RGVLZGJSSA-N 499.910 5.578 10 50 JKCA COc1ccc(OCCOc2ccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)cc2)cc1 13895567 JRWWYNYXEDOJLW-ULJHMMPZSA-N 477.607 5.554 10 50 JKCA CCN1C(=O)/C(=C\c2cc(Cl)c(OCCCOc3cccc(OC)c3)c(OC)c2)SC1=S 22257776 LKLIWGYLOIQYNR-DEDYPNTBSA-N 494.034 5.426 10 50 JKCA CCCCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)SC1=S 25581336 JJCJKSUPCACYLS-HAVVHWLPSA-N 461.656 6.629 10 50 JKCA O=C1/C(=C\c2ccc(Cl)cc2Cl)SC(=S)N1C(=O)c1ccccc1Br 408821991 BTBVTIBKJRRPBV-VGOFMYFVSA-N 473.200 5.798 10 50 JKCA Cc1cccc(Cn2cc(/C=C3/C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)c3ccccc32)c1 15823089 RBEHJUGVUCHMHM-MDZWSVBZSA-N 467.476 5.179 10 50 JKCA CCOC(=O)c1ccc(N2N=C(C(F)(F)F)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)C2=O)cc1 16116114 WHDGVEKRXHYVHX-UYRXBGFRSA-N 488.849 6.125 10 50 JKCA N=C1/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)N=C2SC(COc3ccccc3)=NN12 30976826 BRSQDGCZFIORHA-XSBGCYDXSA-N 497.363 5.952 10 50 JKCA COc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccccc4F)c4ccccc34)C(O)=NC2=S)cc1 1161818 VQDJDQFPGVNFMV-HYARGMPZSA-N 485.540 5.509 10 50 JKCA Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1F 2695268 DBRPLEOUUHVMMI-CWGWECIMSA-N 479.602 5.367 10 50 JKCA COc1ccc(OC)c(NC(=O)c2c(NCc3cccc(OC)c3OC)sc3c2CCCCC3)c1 2909622 QOJYWDSKGPYNRI-UHFFFAOYSA-N 496.629 5.916 10 50 JKCA O=C(O)c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C=C2c2ccccc2)cc1 9311298 BBQRBOIMSKMFFO-LTGZKZEYSA-N 478.460 6.024 10 50 JKCA in-vitro CCOC(=O)c1c(NC(=O)[C@@H]2C3CCC(CC3)[C@H]2C(=O)O)sc2c1CC[C@H](C(C)(C)C)C2 20168308 WZBBVSIUHDLBJA-KEDMZRARSA-N 461.624 5.151 10 50 JKCA COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)N(c3cc(C)cc(C)c3)C(=S)N=C2O)o1 1112416 MRTJLOWUVOCLGU-XDHOZWIPSA-N 477.498 5.152 10 50 JKCA O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC(=S)N1C1CCCC1 2533000 ARYFNQHFQVZEKF-STZFKDTASA-N 466.031 6.337 10 50 JKCA COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cc(Br)ccc2O)cc1 245333724 ADTALBIGUNGUOD-REWPJTCUSA-N 451.320 5.406 10 50 JKCA CCC1=NN2C(=N)/C(=C/c3cc(Br)c(OCc4ccccc4)c(OC)c3)C(=O)N=C2S1 15769316 GIESCLLPUUBHNH-WLNNWNTISA-N 499.390 5.066 10 50 JKCA CC[C@@H](C)c1ccccc1OCCOc1ccc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)cc1OC 16115948 BDAMCHXNXVVLCD-UWLSUBSZSA-N 492.601 5.306 10 50 JKCA Cc1ccc(COc2ccc(/C=C3\C(=N)N4N=C(Cc5cccs5)SC4=NC3=O)cc2)cc1 16266132 BOSWILAPIRIKDH-FKSIKXIZSA-N 472.595 5.497 10 50 JKCA O=C1N=C(O)/C(=C\c2cc(Cl)ccc2OCc2cccc(F)c2)C(=O)N1c1ccc(O)cc1 1178931 KAHHZCFDFHUWPD-UDWIEESQSA-N 466.852 5.270 10 50 JKCA Cc1ccc(OCCOc2c(Cl)cc(Cl)cc2/C=C2\SC(=S)NC2=O)cc1C 15800456 QZGDBFGBWYSCFT-MFOYZWKCSA-N 454.400 5.557 10 50 JKCA CCOC(=O)C1CCN(C2=NC(=O)/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)S2)CC1 16266557 OEGRDUZGWMRGJU-XDHOZWIPSA-N 479.385 5.499 10 50 JKCA C/C(=C\C[C@]12O[C@]1(C)C(=O)c1ccccc1C2=O)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C 169369288 KUTXFBIHPWIDJQ-OBMTXXLOSA-N 466.706 8.369 10 50 JKCA in-man COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCCOc1ccccc1 3001002 DEBOGBSKPDSPIT-ULJHMMPZSA-N 477.607 5.867 10 50 JKCA COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc(F)cc1 3002666 DTGBYWTUGNDCIO-UCQKPKSFSA-N 465.571 6.128 10 50 JKCA COc1ccc(-c2ccc(/C=C3\C(=O)N(c4ccccc4)N=C3C(F)(F)F)o2)c([N+](=O)[O-])c1 22298754 BPJXIZFDTWJFME-BOPFTXTBSA-N 457.364 5.212 10 50 JKCA COc1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2Cl)c2c(O)ccc3ccccc23)cc1 2982930 YVPMZVVXMHJGFH-DEOSSOPVSA-N 452.337 6.380 10 50 JKCA COc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)ccc1OC(=O)c1ccccc1 13774438 AVBYSQZTXCXXDA-RCCKNPSSSA-N 453.585 5.448 10 50 JKCA COc1cccc(CN(C)Cc2nnc(SCc3ccccc3C)n2-c2cccc(Cl)c2)c1O 14885616 COOFTGQNHUFOSP-UHFFFAOYSA-N 495.048 5.868 10 50 JKCA Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCc3ccccc3)C2=O)cc1 26687078 UYRNFSNCTHQEKZ-XIEYBQDHSA-N 481.646 6.292 10 50 JKCA O=C(Nc1cccc(F)c1)c1ccc2c(c1Sc1ccc(Cl)cc1)C(=O)c1ccccc1C2=O 12377234 KYCAKQUXOSGCMF-UHFFFAOYSA-N 487.939 6.658 10 50 JKCA COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Cl)c1OCCOc1ccc(C)cc1C 22228967 DLROJOMCVWONOI-UNOMPAQXSA-N 464.008 5.254 10 50 JKCA Oc1c(Cl)cc(Cl)cc1[C@@H]1Oc2c(Cl)cc(Cl)cc2[C@@H]2CC(c3ccccc3)=NN21 25558569 HLWNFZUSCCQXTE-UGKGYDQZSA-N 480.178 7.248 10 50 JKCA CCOc1ccccc1NC(=O)c1c(NCc2cc(OC)c(OC)cc2OC)sc2c1CCCC2 920893 QCEZSULRJBHBKJ-UHFFFAOYSA-N 496.629 5.916 10 50 JKCA COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(Cc3ccco3)C2=O)c(C)c1 1160078 WQKJQNCWHLBSJM-OEAKJJBVSA-N 487.606 5.851 10 50 JKCA O=C1/C(=C/c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)SC(=S)N1Cc1ccco1 2812970 WQDVLIXKGLXJCO-MFOYZWKCSA-N 469.893 6.613 10 50 JKCA COc1ccc(OCCOc2cccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)c2)cc1 15800427 SIXPPWQQFPDYHF-QJOMJCCJSA-N 463.580 5.559 10 50 JKCA O=C(CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccccc1Br 8763422 QMDLGGMDXSJTGQ-GHRIWEEISA-N 495.489 5.911 10 50 JKCA Oc1c(Cl)cc(Cl)cc1[C@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3cccs3)=NN21 25559518 OZLCZIAAFKXVTM-OXJNMPFZSA-N 451.762 6.656 10 50 JKCA CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C(C)C)C2=O)cc1 2305670 AILUNOZVBRKBAE-KQWNVCNZSA-N 477.655 6.328 10 50 JKCA O=C(c1ccc(F)cc1)c1ccc(-c2[nH]c(-c3ccc(O)c(O)c3)nc2-c2ccccc2)cc1 6460656 XCPDJSWCXITPBI-UHFFFAOYSA-N 450.469 6.192 10 50 JKCA O=C(CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1ccc(Br)cc1 13800627 AQEFVLYKHPOBAZ-ATVHPVEESA-N 495.851 5.723 10 50 JKCA O=C(COc1ccccc1)N[C@@H](c1ccc(Cl)cc1Cl)c1cc(Cl)c2cccnc2c1O 15821592 QCPBHAIATKWTDJ-QFIPXVFZSA-N 487.770 6.185 10 50 JKCA Cc1ccccc1Cn1cc(/C=C2/C(=N)N3N=C(c4cccs4)SC3=NC2=O)c2ccccc21 16213370 DQXZGMBXYDCVSO-KZVRHOHFSA-N 481.606 5.727 10 50 JKCA O=[N+]([O-])c1ccc(N2CCN(Cc3c(O)ccc4ccccc34)CC2)cc1NCc1ccccc1 16425651 VWCDCPWUANSYCI-UHFFFAOYSA-N 468.557 5.388 10 50 JKCA COc1ccc(-c2ccc(/C=C3/C(=N)N4N=C(COc5ccccc5)SC4=NC3=O)o2)cc1Cl 30708085 NZNAWOZUELGLNT-HACRSSKKSA-N 492.944 5.307 10 50 JKCA COc1ccc(-n2c(C)cc(/C=C3/SC(=S)N(c4cccc([N+](=O)[O-])c4)C3=O)c2C)cc1 1140135 VFHXNHBWZCAOPR-CIAFOILYSA-N 465.556 5.417 10 50 JKCA CCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S 8735649 MTGSGKGWDDMUNU-BRYYZUPOSA-N 456.372 5.708 10 50 JKCA COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)c(Br)cc1OCc1ccccc1F 13940966 LMOWYURERLDLAP-NDENLUEZSA-N 495.348 5.982 10 50 JKCA CCOc1ccc(N2C(=O)/C(=C\c3cn(-c4ccccc4)nc3-c3cccs3)SC2=S)cc1 19800468 XKZCCKDQVSCNSR-PXLXIMEGSA-N 489.647 6.405 10 50 JKCA Cc1ccc(C)c(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(Cc3ccco3)C2=O)c1 33316902 NHRZDPNZYBCADS-OEAKJJBVSA-N 471.607 6.151 10 50 JKCA CCOc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1OCc1ccccc1 9295908 ZFTHROKBMXCTJL-BWAHOGKJSA-N 475.635 6.108 10 50 JKCA N=C1/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)C(=O)N=C2SC(Cc3ccccc3)=NN12 15837919 YPXJMIHVVYFABF-JJYAYZJSSA-N 470.529 5.267 10 50 JKCA Cc1ccccc1N1C(=O)C(=Cc2c(C)[nH]c3ccccc23)C(=O)N(c2ccccc2C)C1=S 1225750 YDXKJPOLPAUQMX-UHFFFAOYSA-N 465.578 5.841 10 50 JKCA COc1ccc(CN2C(=O)/C(=C/c3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)SC2=S)cc1 2986666 USOVNWYDGHTMKI-JAIQZWGSSA-N 485.970 5.708 10 50 JKCA Cc1ccccc1Cn1cc(/C=C2\SC(=S)N(c3cccc(C(=O)O)c3)C2=O)c2ccccc21 19798992 APEGBXOLABLNLO-OYKKKHCWSA-N 484.602 6.102 10 50 JKCA CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CC(C)=C(C)C[C@H]3C(=O)O)c2C(=O)OC)C1 239174193 PMEJTYIMDWFGBO-KBAYOESNSA-N 461.624 5.462 10 50 JKCA Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccc(-c4ccccc4)cc3)C2=O)cc1 2289674 MWSACQALWADOML-HKOYGPOVSA-N 472.635 6.282 10 50 JKCA CCOc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Cl)c1OCCCOc1ccc(C)c(C)c1 2882633 GUYLJMMXWMJZIM-KGENOOAVSA-N 492.062 6.034 10 50 JKCA CCOc1cc(/C=C2\SC(=S)NC2=O)ccc1OCCOc1ccc(Cl)cc1Cl 22310468 DEIXNRMOUBERAP-ZDLGFXPLSA-N 470.399 5.339 10 50 JKCA CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc(N)c2N 25783591 LFXDWSUQAVSSJH-UHFFFAOYSA-N 472.589 5.111 10 50 JKCA O=C1/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)SC(=S)N1Cc1ccc(F)cc1 2946410 UZAIWEFFFDWLMC-XKZIYDEJSA-N 480.542 5.714 10 50 JKCA Cc1cc(/C=C2/SC(=N)NC2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 15686404 XKNZZPPXMAPEJD-UDWIEESQSA-N 450.545 5.292 10 50 JKCA Cc1ccc(C(=O)N[C@H](Nc2ccc(/N=N/c3ccccc3)cc2)C(Cl)(Cl)Cl)cc1 6245037 MORGDRJBAUNAKC-GHFCYRQVSA-N 461.780 6.949 10 50 JKCA O=C1/C(=C\c2cc(Br)c(O)c(Br)c2)SC(=S)N1c1ccccc1 8435278 MGZAMBUJXPPMNK-MDWZMJQESA-N 471.195 5.323 10 50 JKCA COc1cccc(O)c1CN1CCC([C@H](Cc2ccccc2F)N(C)C(=O)c2ccoc2C)CC1 15008711 SLVDAARJQJSIIL-VWLOTQADSA-N 480.580 5.037 10 50 JKCA CCCCCCN1C(=O)/C(=C2\SC(=S)N(CC(C)C)C2=O)c2cc(Br)ccc21 16731815 MXACCGGUINUAFW-ZCXUNETKSA-N 481.481 5.603 10 50 JKCA COc1cc(/C=C2\SC(=S)NC2=O)cc(Br)c1OCc1ccccc1Cl 22130572 BQVBAYXEDDAKQC-NVNXTCNLSA-N 470.797 5.179 10 50 JKCA Cc1cc(/C=C2/C(=O)N(c3cccc(Cl)c3Cl)C(=O)N=C2O)c(C)n1-c1ccc2c(c1)OCO2 1125948 IIQRZODHIOHSAO-CXUHLZMHSA-N 498.322 5.636 10 50 JKCA CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)ccc1OCCOc1ccc(Cl)c(C)c1 2843924 KDODYMYCKOBCMH-STZFKDTASA-N 478.035 5.726 10 50 JKCA CCN(CC)c1ccc2c(c1)OC1=N[C@H](c3ccc(OC)cc3)n3c(nc4ccccc43)C1=C2 8818195 ROWRZTDMBSSXIL-SANMLTNESA-N 450.542 5.783 10 50 JKCA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCC)C2=O)cc1C 19879170 VCZMLFJQWBKQLU-XQNSMLJCSA-N 477.655 6.248 10 50 JKCA CCN1C(=O)/C(=C\c2cc(Cl)c(OCc3c(Cl)cccc3Cl)c(OC)c2)SC1=S 22242064 YETCFDVDTVOSCB-RQZCQDPDSA-N 488.845 6.456 10 50 JKCA CCOC(=O)c1c(NC(=O)[C@H]2[C@H](C(=O)O)[C@H]3CC[C@H]2O3)sc2c1CCCCCCCCCCC2 139092465 NVYIPSZLOYKJNT-MCEIDBOGSA-N 491.650 5.351 10 50 JKCA Cc1ccc(-c2ccc(/C=C3\SC(N4CCN(c5cccc(Cl)c5)CC4)=NC3=O)o2)cc1 15856487 LOECWHLGONMVAF-KQWNVCNZSA-N 463.990 5.701 10 50 JKCA COc1cccc(OCCOc2cccc(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)c2)c1 22185055 RGMTXUJERMWUIQ-LFVJCYFKSA-N 477.607 5.554 10 50 JKCA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CC(C)C)C2=O)cc1 33362546 MKBHKFZZVDOHBQ-HZHRSRAPSA-N 477.655 6.185 10 50 JKCA O=C(COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2)c1ccc(Cl)cc1 226940072 XPEPMBPPFRKPAJ-XLGIIRLISA-N 488.927 6.114 10 50 JKCA COc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)ccc1OC(=O)c1cccs1 2120028 QGNMHMHCCKSOFH-CPNJWEJPSA-N 459.614 5.510 10 50 JKCA Oc1ccc(-c2csc(N3N=C4/C(=C/c5ccccc5)CCC[C@@H]4[C@@H]3c3ccccc3)n2)cc1O 4257360 SAADEGLEQOIOKS-FGCFRAJQSA-N 479.605 7.022 10 50 JKCA O=C(N[C@@H](Nc1ccc(/N=N/c2ccccc2)cc1)C(Cl)(Cl)Cl)c1cccc(Cl)c1 15229496 ZRZLDLJTINYDLF-RIFNKFLMSA-N 482.198 7.294 10 50 JKCA CCN1C(=O)/C(=C2\SC(=S)N(Cc3ccccc3Cl)C2=O)c2cc(Br)ccc21 16805423 IAHTZMZUUOJIRN-MSUUIHNZSA-N 493.835 5.241 10 50 JKCA Cc1cc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)c(C)n1-c1ccc(Br)cc1 1104096 YSFGTDXZQGDLCM-JAIQZWGSSA-N 484.444 5.653 10 50 JKCA CCCOc1ccc(/C=C2/SC(N3CCN(c4cccc5ccccc45)CC3)=NC2=O)cc1 2315243 YCKVKZAYTRTVPY-NCELDCMTSA-N 457.599 5.421 10 50 JKCA COc1ccc2c(c1)S[C@@H](c1ccc(F)cc1F)CCN2Cc1ccc(OCCO)cc1 12243489 DNDAZFXHVPXZDY-XMMPIXPASA-N 457.542 5.588 10 50 JKCA CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)ccc1OCc1c(Cl)cccc1Cl 22241985 IRJHAVNLKKCYKD-YBFXNURJSA-N 468.427 6.192 10 50 JKCA O=C(c1ccccc1)[C@@H]1[C@H](c2ccco2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(F)ccc3N12 229897052 VCFWWRVFVGRKJX-QKDODKLFSA-N 489.502 5.735 10 50 JKCA CCCOC(=O)c1cc(-c2ccc(/C=C3\C(=O)NN(c4ccc(C)c(Cl)c4)C3=O)o2)ccc1Cl 2995295 DQHQFMYQTHUKTM-CPNJWEJPSA-N 499.350 5.590 10 50 JKCA Cc1ccc(C2=NN3C(=N)/C(=C/c4ccc(OCc5ccc(F)cc5)cc4)C(=O)N=C3S2)cc1 15837408 BSUUBVXRJWOABR-SDOZFXMSSA-N 470.529 5.381 10 50 JKCA COc1ccc(/C=C2/SC(N3CCN(C(c4ccccc4)c4ccccc4)CC3)=NC2=O)c(OC)c1 15856907 XICJQYWXYQOLTN-LGUFXXKBSA-N 499.636 5.081 10 50 JKCA O=C1C(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 828131 NVNSXBXKNMWKEJ-UHFFFAOYSA-N 495.516 5.603 10 50 JKCA in-vitro CCc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3cc(Cl)ccc3O)C2=O)cc1 1186977 LKBMZATXEQYNNP-XDHOZWIPSA-N 461.008 5.228 10 50 JKCA Cc1ccccc1C1=NN2C(=N)/C(=C/c3ccc(OCCOc4ccccc4)cc3)C(=O)N=C2S1 2824478 VKYKYTICAGYLEX-ZSEUTSBQSA-N 482.565 5.120 10 50 JKCA N=C1/C(=C/c2ccccc2OCc2ccccc2F)C(=O)N=C2SC(c3ccccc3)=NN12 7018054 AYGXDFRTDRREIC-JOFJPVPMSA-N 456.502 5.072 10 50 JKCA Cc1cc(Oc2c(C(F)(F)F)oc3c(CN4CCOCC4)c(O)ccc3c2=O)cc(C)c1Cl 19793137 QJQOKDBJTNSVOB-UHFFFAOYSA-N 483.870 5.412 10 50 JKCA O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)SC(=S)N1C[C@H]1CCCO1 33417264 QNMSYXXYXSPLFJ-TTYLXTBDSA-N 465.575 5.059 10 50 JKCA CC1=NN(c2ccc(Br)cc2)C(=O)C1=Cc1c(C)nn(-c2cccc(Cl)c2)c1O 1857666473 VFXAMSAGFCQISC-UHFFFAOYSA-N 471.742 5.108 10 50 JKCA O=C1/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC(=S)N1c1cccc(C(F)(F)F)c1 2932506 VCQKXHAMWFAYFS-WQRHYEAKSA-N 476.457 6.279 10 50 JKCA CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccccc3Cl)SC2=S)cc1 8714031 PKLBPUWUEYXPAL-RGEXLXHISA-N 489.018 5.137 10 50 JKCA CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NCCc1ccc(O)c(O)c1 8860434 HXJMZRVSTICUKC-KUBAVDMBSA-N 463.662 7.234 10 50 JKCA in-vitro COc1cc(/C=C2/C(=O)N(c3cccc(Cl)c3)C(=O)N=C2O)ccc1OCc1ccccc1F 15837172 IVGTXMLWPDIUEX-YBFXNURJSA-N 480.879 5.573 10 50 JKCA COc1cccc(OCCCOc2ccccc2/C=C2/SC(=S)N(Cc3ccccc3)C2=O)c1 22257504 HZJUQKJUVYLPHW-KOEQRZSOSA-N 491.634 5.945 10 50 JKCA O=C1NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1Cl 207336725 SQHRLXILLVVNAB-WOJGMQOQSA-N 473.743 5.687 10 50 JKCA COc1cccc(/C=C2/SC(=S)NC2=O)c1OCCCOc1ccc(C(C)(C)C)cc1 2874358 NEORCLIXJDYQDZ-HMMYKYKNSA-N 457.617 5.329 10 50 JKCA CCc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc1 22171081 LNQFMNBLXLKCJQ-LDADJPATSA-N 464.534 5.498 10 50 JKCA CCOc1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)ccc1OCc1ccc(Cl)cc1 32694345 BWKZUODPYZVKAE-DEDYPNTBSA-N 492.018 5.384 10 50 JKCA CCOc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 2843826 WZGFNRKSKZFKEL-LICLKQGHSA-N 454.400 5.802 10 50 JKCA COc1cc(/C=C2/C(=O)N(c3ccc(O)cc3)C(=O)N=C2O)cc(Cl)c1OCc1ccccc1F 15836798 OGPDUUIJLKMCEH-VCHYOVAHSA-N 496.878 5.279 10 50 JKCA CCOc1ccccc1NC(=O)CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S 1179881 UFYMPXHDNVLUFE-RGEXLXHISA-N 461.008 5.359 10 50 JKCA O=C1/C(=C/c2cn(Cc3ccccc3[N+](=O)[O-])c3ccccc23)SC(=S)N1Cc1ccccc1 3003801 CFMLNAHRBKYQDD-OYKKKHCWSA-N 485.590 5.999 10 50 JKCA CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCCCCC3)=NC2=O)c(C)c1 12621491 FUACAQRVBYFCQI-BWAHOGKJSA-N 486.641 6.093 10 50 JKCA CCCCN1C(=O)/C(=C/c2c(N[C@H](C)c3ccccc3)nc3c(C)cccn3c2=O)SC1=S 15229571 XPARZJHQLQVDLP-MNTXUITRSA-N 478.643 5.177 10 50 JKCA Oc1ccc(Br)cc1[C@@H]1Oc2c(Cl)cc(Cl)cc2[C@H]2CC(c3ccccc3)=NN12 25576390 DKOXKNWDFOGJHH-KNQAVFIVSA-N 490.184 6.704 10 50 JKCA CCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCCC)c(C)c2)SC1=S 33363144 KBVWUJOKDDMXAS-JJIBRWJFSA-N 491.682 6.638 10 50 JKCA [N-]=[N+]=NCc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc3ccccc3c2)cc1 2325871649 TYHJISAESJTSOL-SANMLTNESA-N 497.580 5.404 10 50 JKCA O=S(=O)(Nc1ccc(O)c(Sc2nc3ccccc3s2)c1)c1cccc2cccnc12 2856796 SCJRVKWKLBUINX-UHFFFAOYSA-N 465.581 5.502 10 50 JKCA Cc1ccccc1N1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2OCc2ccccc2)SC1=S 3002067 BEBPAYWICXZBCO-HMAPJEAMSA-N 462.552 5.888 10 50 JKCA Cc1ccc(N2C(=O)N=C(O)/C(=C/c3cc(C)n(-c4ccc(C)c([N+](=O)[O-])c4)c3C)C2=O)cc1Cl 3464486 QQZJNDKMDGRWAI-JMIUGGIZSA-N 492.919 5.779 10 50 JKCA Oc1ccc(Cl)cc1CN1CCC(c2nnc(SC[C@H]3CCCO3)n2Cc2ccccc2)CC1 11786839 PYOUCKCHTQLBTA-HSZRJFAPSA-N 499.080 5.336 10 50 JKCA CCOC(=O)CN1[C@@H](c2ccccc2O)Nc2ccc(Br)cc2[C@H]1c1ccccc1 55453964 XYBDVWYCNDIFCS-RPWUZVMVSA-N 467.363 5.234 10 50 JKCA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC)C2=O)c(C)c1 2367210 JROISNCQZGHLPY-JCMHNJIXSA-N 463.628 5.858 10 50 JKCA COc1ccccc1N1C(=O)/C(=C/c2cccc(OC(=O)c3ccccc3F)c2)SC1=S 2834035 PATOKGHAIUMDKW-STZFKDTASA-N 465.527 5.459 10 50 JKCA CCOc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 16193337 CJJNHFIKRMRYBQ-HAHDFKILSA-N 492.578 5.978 10 50 JKCA CCN1C(=O)/C(=C/c2cc(Cl)cc(Cl)c2OCc2ccccc2Cl)SC1=S 2977857 UUAHMXBWIQEXCT-PXNMLYILSA-N 458.819 6.447 10 50 JKCA COC(=O)c1cc(-c2ccc(/C=C3\C(=O)N(c4cccc(Cl)c4)N=C3C)o2)ccc1Cl 16116000 UVIXGJDHWNVTKX-PDGQHHTCSA-N 455.297 5.846 10 50 JKCA COc1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4cccc(C)c4C)C(=O)N=C3O)c2C)c([N+](=O)[O-])c1 1157236 UJGLNBBGJSGQTJ-UDWIEESQSA-N 488.500 5.134 10 50 JKCA CCN1C(=O)/C(=C\c2cccc(OC)c2OCCCOc2ccc(C)cc2C)SC1=S 6470637 MTIINGMZWOVQRA-RCCKNPSSSA-N 457.617 5.381 10 50 JKCA CCN1C(=O)/C(=C/c2ccc(OC)c(COc3ccc(Br)cc3)c2)SC1=S 1015998 IKDMMROCRXJHPH-WQRHYEAKSA-N 464.406 5.258 10 50 JKCA Cc1ccc(-c2ccc(/C=C3\C(=O)N(c4ccc(C(=O)O)cc4)N=C3C(F)(F)F)o2)cc1Cl 16183713 HBLCYWLNWUWQNR-BOPFTXTBSA-N 474.822 5.955 10 50 JKCA Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)o1 30735168 RRJIGVFQBLMFTG-MPZQNCSBSA-N 491.916 5.484 10 50 JKCA CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC(C)C)C2=O)cc1 2228378 SSUSOXMRZXBJAJ-JLPGSUDCSA-N 491.682 6.575 10 50 JKCA CCOC(=O)c1ccc2c(c1)N(CC)/C(=C/C=C1/SC(=S)N(Cc3ccccc3)C1=O)N2CC 100709533 FAEMIBLOKYLULJ-HOFJZWJUSA-N 493.654 5.315 10 50 JKCA CC1=NN(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(-c2ccc3c(c2)COC3=O)o1 100872592 YXIBYNKRAJBRBQ-RGVLZGJSSA-N 463.287 5.186 10 50 JKCA Cc1cc(C(=O)CSc2nnnn2-c2ccccc2)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 952916 DNVCHRCTWQKMGW-UHFFFAOYSA-N 491.926 5.717 10 50 JKCA CCN1C(=O)/C(=C/c2cc(Cl)cc(Cl)c2OCCOc2cccc(OC)c2)SC1=S 2844004 ZIHVKRVBHQVVNV-ZDLGFXPLSA-N 484.426 5.681 10 50 JKCA COCCN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)SC1=S 2987683 WTJTYCPLRGFUGX-WQRHYEAKSA-N 498.851 5.529 10 50 JKCA O=C1/C(=C/c2cccc(OCCOc3ccc([N+](=O)[O-])cc3)c2)SC(=S)N1c1ccccc1 2994112 PUDSREKYNQHLGY-JWGURIENSA-N 478.551 5.458 10 50 JKCA COc1ccc2c(c1)S[C@@H](c1ccc3c(c1)OCO3)CCN2Cc1cccn1-c1cccnc1 12155008 XGKVYQOPEBANTG-AREMUKBSSA-N 471.582 5.853 10 50 JKCA CCOc1cc(/C=C2\C(=O)N(c3ccc4ccccc4c3)N=C2C)cc(I)c1O 15016330 ZKXSTBZEJQFMIW-GRSHGNNSSA-N 498.320 5.355 10 50 JKCA CCOc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)ccc1O[C@@H](C)c1ccccc1 16193026 VOQMVYZVONGZHF-SVTVQYSDSA-N 479.598 6.770 10 50 JKCA O=C(O)c1ccc(COc2ccc(Cl)cc2/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)cc1 16267378 FMXUFASHEBKTRY-UDWIEESQSA-N 494.862 5.263 10 50 JKCA Cc1ccc(CNC(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2ccc([N+](=O)[O-])cc2)N3)cc1C 169705535 DHHKXFZQQNWVNJ-FKCDAAJZSA-N 453.542 5.968 10 50 JKCA Clc1ccc(CN(/N=N/c2nonc2-c2ccccc2)c2nonc2-c2ccccc2)c(Cl)c1 8935029 JQPNLGIEQXSFRP-GKPLWNPISA-N 492.326 6.799 10 50 JKCA CCCCCOc1ccc(/C=C2/SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1 26687211 UMHLVKGSUDLAMY-OQKWZONESA-N 493.654 5.459 10 50 JKCA Cc1ccccc1/N=N\c1ccc(N[C@H](NC(=O)c2ccco2)C(=O)c2ccccc2)cc1C 100502204 XBXGFBORTDPYAL-BSMSPWIMSA-N 452.514 6.363 10 50 JKCA CC1=NN(c2nc(-c3ccc(Br)cc3)cs2)C(=O)[C@H]1/N=N/c1ccccc1C(=O)O 100506787 QTIPFQGHWZZIIS-LRDZBDLTSA-N 484.335 5.146 10 50 JKCA COc1cccc(C(=O)N[C@H](c2ccc(Cl)cc2Cl)c2c(O)ccc3ccccc23)c1 2981969 IKVPYGIPLMRMQO-XMMPIXPASA-N 452.337 6.380 10 50 JKCA COc1ccc(O)c(CN2CCOc3c(cc(-c4cc(C)c5cccc(OC)c5n4)cc3OC)C2)c1 14995300 FYJJAHATISQEAK-UHFFFAOYSA-N 486.568 5.336 10 50 JKCA CN1CCCc2cc(CN3CCOc4c(O)cc(-c5nc6ccccc6s5)cc4C3)ccc21 15066909 KLPFHSCQAQGYLV-UHFFFAOYSA-N 457.599 5.446 10 50 JKCA COCCN1C(=O)/C(=C\c2ccc(OC(=O)[C@@H]3[C@@H](C=C(Cl)Cl)C3(C)C)cc2)SC1=S 15684835 UAYHGPVQAURMGO-FIOCRVBZSA-N 486.442 5.031 10 50 JKCA CCOc1cc(/C=C2\SC(=S)NC2=O)cc(Cl)c1OCCOc1ccccc1Cl 15800590 TZWWOZWUQZMTKZ-BOPFTXTBSA-N 470.399 5.339 10 50 JKCA COc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccccc1C 16193388 SQDTZMJNQSMTFM-UCQKPKSFSA-N 465.571 6.128 10 50 JKCA CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1 34106137 RTUQNCHGJZOPGG-KOEQRZSOSA-N 497.645 6.339 10 50 JKCA COc1cccc(-c2cnc(-c3ccncc3)nc2C2CCN(Cc3cc(OC)ccc3O)CC2)c1 15002454 NOISXPLMYSFGIO-UHFFFAOYSA-N 482.584 5.308 10 50 JKCA Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(Cc3ccco3)C2=O)cc1 33340196 VKRZGUFHCGYZMW-HYARGMPZSA-N 457.580 5.842 10 50 JKCA Cc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2 111441825 GHLGNFXLUPXCKQ-XLGIIRLISA-N 465.018 6.584 10 50 JKCA COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCc1ccccc1F 3002100 FOQFYPUXYANTSN-UCQKPKSFSA-N 465.571 6.128 10 50 JKCA Cc1cccc(N2C(=O)/C(=C/c3cc([N+](=O)[O-])ccc3OCCOc3ccccc3)SC2=S)c1 3003599 GQSWVGUQFIGBQU-KQWNVCNZSA-N 492.578 5.767 10 50 JKCA CCCCCCN1C(=O)/C(=C2\SC(=S)N(CCC)C2=O)c2cc(Br)ccc21 16731842 XLGDIBLRIHFLMQ-MSUUIHNZSA-N 467.454 5.357 10 50 JKCA O=C1C(=CNc2ccc(Br)cc2)C(=O)N(C2CCCCC2)C(=O)N1C1CCCCC1 1230879 XFLFCDVHXMMMTC-UHFFFAOYSA-N 474.399 5.201 10 50 JKCA COc1cccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3[C@@H]3C=CC[C@H]32)c1OC 2483092 AAUVXYKHBGERAS-UMEGOILYSA-N 480.561 5.470 10 50 JKCA Cc1cccc(OCCCOc2c(Cl)cc(Cl)cc2/C=C2/SC(=S)N(C)C2=O)c1 2840164 FAARHQVAZHRBQM-WOJGMQOQSA-N 468.427 5.981 10 50 JKCA CCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(Cl)c2)SC1=S 16805506 LUBYMFYBYZTHIN-STZFKDTASA-N 484.046 6.203 10 50 JKCA COc1ccc([C@@H](CCN(Cc2ccc(N(C)C)cc2)C(C)=O)[C@H]2CCOC(C)(C)C2)cc1 892499 XDQPEGIICKELSP-RPLLCQBOSA-N 452.639 5.489 10 50 JKCA biogenic CCN(CC)c1ccc(C=C2C(=O)N(c3ccccc3OC)C(=O)N(c3ccccc3OC)C2=O)cc1 4551873 UXGPXVDQVBMHNR-UHFFFAOYSA-N 499.567 5.133 10 50 JKCA COc1ccccc1OCCOc1ccccc1/C=C1\SC(=S)N(Cc2ccccc2)C1=O 9435035 CSLLNWCUEVJVBM-ULJHMMPZSA-N 477.607 5.554 10 50 JKCA COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1C 34106900 BKNPLOJPTUVSQR-PCLIKHOPSA-N 497.645 6.258 10 50 JKCA CCOc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OCc1ccccc1F 1112455 YWUQLNXYKPMULI-XKZIYDEJSA-N 469.559 5.798 10 50 JKCA CCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2)SC1=S 2198779 NEZOKIZLVSDPGF-JCMHNJIXSA-N 463.628 5.938 10 50 JKCA Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2/C(=O)N(c3ccc(Br)cc3)C(=O)N=C2O)o1 14010747 MXZRIRPUFHVWCU-WOJGMQOQSA-N 495.285 5.222 10 50 JKCA COc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C(O)=NC2=S)cc1 2878807 GKYICJPKQOVFQI-GZTJUZNOSA-N 483.889 5.188 10 50 JKCA COc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCCOc1ccc(C)c(C)c1 9435992 DPZIZCJGFFWULB-KZVRHOHFSA-N 492.601 5.045 10 50 JKCA CC(C)CN1C(=O)/C(=C/c2ccccc2OCc2ccc(Br)cc2)SC1=S 2819053 ISHKEJBIRZEIIY-ODLFYWEKSA-N 462.434 5.885 10 50 JKCA Cc1cc(F)ccc1S(=O)(=O)Nc1cc(-c2c(O)ccc3ccccc23)c(O)c2ccccc12 2858424 NLZLIUCRXRXNOP-UHFFFAOYSA-N 473.525 6.320 10 50 JKCA COc1ccc(O)c(CN2CCC([C@@H](Cc3cccc(C(F)(F)F)c3)N(C)C(=O)C3CC3)CC2)c1 11839602 ANSRGVKJWNQUEX-XMMPIXPASA-N 490.566 5.111 10 50 JKCA CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC)C2=O)cc1[N+](=O)[O-] 16805271 XAONBOKBBREZLR-MOSHPQCFSA-N 480.571 5.067 10 50 JKCA COc1ccc(OCCCOc2ccccc2/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1 22257479 YWNPNPZUKLIGPF-XIEYBQDHSA-N 491.634 5.945 10 50 JKCA O=C(COC(=O)c1ccc2c3c1[C@@H]1C=CC[C@@H]1CN3C[C@@H]1CC=C[C@@H]21)c1ccc(Br)cc1 169616521 OAFNLWWUNWOWLQ-UYWIDEMCSA-N 490.397 5.642 10 50 JKCA CCOC(=O)c1c(NC(=O)C[C@@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)sc2c1CCCC2 949675 CETRVVOWXTWANO-INIZCTEOSA-N 498.548 5.264 10 50 JKCA COc1ccc(Cl)c(NC(=O)c2cc(/N=N/c3ccc(O)cc3Cl)c3ccccc3c2O)c1 4113464 XVPHDUOSCGEHOQ-ZQHSETAFSA-N 482.323 7.234 10 50 JKCA CCOc1ccc(NC(=O)CCCN2C(=O)/C(=C\c3ccc(Cl)cc3)SC2=S)cc1 8714583 GCJCLSRWUWNIIF-XMHGGMMESA-N 461.008 5.359 10 50 JKCA CCCCOc1ccc(/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2C(F)(F)F)cc1OC 10059832 YWOMFBSOKBTRJI-ATVHPVEESA-N 452.860 5.876 10 50 JKCA O=C1/C(=C\c2ccc(OCCCOc3ccccc3)cc2)SC(=S)N1Cc1ccccc1 15856195 AAAZUDMRBMIDOO-HKOYGPOVSA-N 461.608 5.936 10 50 JKCA O=C1N=C(NCc2ccccc2)S/C1=C/c1ccc(-c2ncc(C(F)(F)F)cc2Cl)cc1 263640028 UEVZKQRCIFGFPD-VXLYETTFSA-N 473.907 6.181 10 50 JKCA Cc1ccccc1N1C(=O)/C(=C/c2ccc(OC(=O)c3ccco3)c(Cl)c2)SC1=S 1118552 IOMFAGXMUBFPMG-UNOMPAQXSA-N 455.944 5.866 10 50 JKCA CCOc1cccc(CN2CCC3(CC2)C[C@H]3C(=O)NCCC(c2ccccc2)c2ccccc2)c1O 12004343 APQSHRKVJMQDIV-NDEPHWFRSA-N 498.667 5.731 10 50 JKCA Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)c(C)n1-c1ccc(F)cc1 16676144 KHWSPTCRQLFXOB-VCHYOVAHSA-N 488.371 5.371 10 50 JKCA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C(C)C)C2=O)cc1 2200509 BNCSJQACQNQCCC-JCMHNJIXSA-N 463.628 5.938 10 50 JKCA COc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)ccc1OC(=O)c1cccc(C)c1 2279470 CRSGYCIRPWMTSJ-JCMHNJIXSA-N 467.612 5.757 10 50 JKCA CCOc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Br)c1OCc1ccccc1C 2840135 GRFZMJZJZWEWPH-WOJGMQOQSA-N 478.433 5.566 10 50 JKCA Cc1ccccc1OCCCOc1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1 15857205 HQHYJTADZBWCIF-XIEYBQDHSA-N 475.635 6.244 10 50 JKCA CC[C@H](C)c1ccc(OCCOc2ccc(/C=C3\SC(=S)N(CC)C3=O)cc2OC)cc1 22298810 GZYZBENFSPXWSE-HEQHKCQXSA-N 471.644 5.888 10 50 JKCA COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2 226973033 UWRQOBHLDFNQBV-OHUGHZGNSA-N 470.481 5.427 10 50 JKCA CCOc1cc(/C=C2/SC(=S)NC2=O)cc(Cl)c1OCCCOc1ccc(C)cc1C 2874137 FGARIMLMVNKYSJ-DEDYPNTBSA-N 478.035 5.692 10 50 JKCA CC[C@H](C)c1ccc(OCCOc2ccc(/C=C3/SC(=S)N(C)C3=O)cc2OC)cc1 2966964 XESILPIOOHAHMN-PZBNQXIHSA-N 457.617 5.498 10 50 JKCA O=C(O)c1ccc(N2N=C(C(F)(F)F)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)C2=O)cc1 2995220 XPMYPHPXXXGYOM-BOPFTXTBSA-N 460.795 5.647 10 50 JKCA CCOc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)SC2=S)cc1 8435357 NDGYYWUMDRJXEW-UDWIEESQSA-N 476.406 7.058 10 50 JKCA Cc1ccc(N2CCN(C3=NC(=O)/C(=C\c4ccc(OCc5ccccc5)cc4)S3)CC2)cc1 8742957 IVTVFQWYVXUSNE-LGUFXXKBSA-N 469.610 5.367 10 50 JKCA CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C(C)C)C2=O)c(C)c1 2367692 FAHYYNQVQFUDQN-HMAPJEAMSA-N 463.628 5.856 10 50 JKCA COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1 2371699 VRVDBPKHCSHBGR-XYGWBWBKSA-N 497.645 6.258 10 50 JKCA Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc1F 2533121 YJJSGNLQOOTUMF-HAHDFKILSA-N 477.630 6.521 10 50 JKCA CCOc1cc(Br)cc(/C=C2\SC(=S)N(CCCc3ccccc3)C2=O)c1O 2817615 IJJUGRDQAQBRAG-PDGQHHTCSA-N 478.433 5.387 10 50 JKCA COc1cccc(/C=C2/SC(=S)N(C)C2=O)c1OCCCOc1ccc(C(C)(C)C)cc1 2882430 LSBNDPQKFZKCBK-LTGZKZEYSA-N 471.644 5.672 10 50 JKCA CCCCC1=NN2C(=N)/C(=C/c3ccc(OC(=O)c4ccc(Cl)cc4)c(OC)c3)C(=O)N=C2S1 15855774 QORDMSKKTSPVMG-ACKDDNJSSA-N 496.976 5.377 10 50 JKCA COc1cc(/C=C2/C(=O)N(c3ccccc3Cl)N=C2C)ccc1OCC(=O)Nc1ccccc1 33334032 BPZIBTWATARKFV-XSFVSMFZSA-N 475.932 5.172 10 50 JKCA O=[N+]([O-])c1ccc(/N=N/C(Sc2nnc(Cc3ccccc3)o2)=C(/O)c2ccc(Cl)cc2)cc1 101122280 WVXORQHLFNHVHH-KRXDYSHKSA-N 493.932 6.982 10 50 JKCA C[C@H]1CN(Cc2cc(Cl)c3cccnc3c2O)[C@@H](C)CN1Cc1cc(Cl)c2cccnc2c1O 215968686 BPEHVQPLTYYOFZ-HOTGVXAUSA-N 497.426 5.596 10 50 JKCA COc1ccccc1N1C(=O)/C(=C/c2ccccc2OCc2ccccc2[N+](=O)[O-])SC1=S 2833941 AGAGLILHJXNHMZ-HMAPJEAMSA-N 478.551 5.588 10 50 JKCA C/C(NCCc1ccc(F)cc1)=C1\C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 9160610 USYSTUQITMIMEZ-HAVVHWLPSA-N 456.546 5.293 10 50 JKCA O=C1/C(=C/c2cc(Cl)ccc2OCc2ccccc2[N+](=O)[O-])SC(=S)N1Cc1ccco1 22497110 GQHYPCZMYXQKCS-JAIQZWGSSA-N 486.958 5.822 10 50 JKCA Cc1ccc(C)c(N2C(=O)C(=Cc3c(-c4ccccc4)[nH]c4ccccc34)C(=O)NC2=S)c1 2049452902 NRSKGHWHYFDEAL-UHFFFAOYSA-N 451.551 5.283 10 50 JKCA Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC(C)C)C2=O)cc1F 2533120 ZKVIKHYIWJKGGW-MTJSOVHGSA-N 451.592 5.844 10 50 JKCA O=C1/C(=C\c2ccccc2OCc2ccc(Cl)cc2Cl)SC(=S)N1c1ccccc1 8435238 FVFCQGOHEWXZRT-CIAFOILYSA-N 472.418 6.978 10 50 JKCA COc1ccc([C@H](CCN(Cc2ccc(N(C)C)cc2)C(C)=O)[C@H]2CCOC(C)(C)C2)cc1 8740404 XDQPEGIICKELSP-IGKIAQTJSA-N 452.639 5.489 10 50 JKCA biogenic CCCCN1C(=O)/C(=C/c2c(N[C@@H](C)c3ccccc3)nc3c(C)cccn3c2=O)SC1=S 15229569 XPARZJHQLQVDLP-SWEXZPIWSA-N 478.643 5.177 10 50 JKCA O=C1N=C(O)/C(=C\c2cc3ccccc3n2Cc2ccccc2F)C(=O)N1c1ccc([N+](=O)[O-])cc1 16156430 QXOPPUYXYBZZEQ-KGENOOAVSA-N 484.443 5.244 10 50 JKCA CN1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)SC1=S 6574806 QWJOFPVYFOBKEV-LZYBPNLTSA-N 489.243 6.166 10 50 JKCA O=C1/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC(=S)N1Cc1ccccc1 12376393 GBDFHHCPBZOHOL-WSDLNYQXSA-N 486.445 6.974 10 50 JKCA Cc1ccccc1N1C(=O)C(=Cc2c[nH]c3ccccc23)C(=O)N(c2ccccc2C)C1=S 1225749 YIJCAGLGSVDTMZ-UHFFFAOYSA-N 451.551 5.533 10 50 JKCA COc1cccc(/C=C2/SC(=S)N(C)C2=O)c1OCCCOc1ccc(Cl)c(C)c1 2874047 AEECYVSDFVQQLT-CPNJWEJPSA-N 464.008 5.336 10 50 JKCA CCOc1cc(/C=C2/C(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C(=O)N=C2O)ccc1OC 15821403 GQLYJQSCCOCYSI-HZHRSRAPSA-N 486.524 5.488 10 50 JKCA O=C1c2ccccc2C(=O)c2c(OC(=O)[C@@H]3[C@H]4CCCC[C@H]43)ccc(OC(=O)C3[C@@H]4CCCC[C@@H]34)c21 239302921 FUPVOQPJVDTFCY-GQBZEOFPSA-N 484.548 5.145 10 50 JKCA Cc1c(Cc2ccccc2)c(=O)oc2c(CN(C)C[C@@H]3CCCN4CCCC[C@H]34)c(O)ccc12 409413275 GXXPLUVBLOAVED-BKMJKUGQSA-N 460.618 5.094 10 50 JKCA biogenic COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)C(O)=NC1=S 1122242 BRIKUOQNOPGUIR-CPNJWEJPSA-N 465.962 5.428 10 50 JKCA COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc(Br)c1O 1198661 AJBIWNUSEFZZGL-SXGWCWSVSA-N 450.379 5.186 10 50 JKCA CCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2)SC1=S 2305433 TZYLMZKUWOJBBS-KQWNVCNZSA-N 477.655 6.328 10 50 JKCA Cc1ccc(N2C(=O)/C(=C/c3ccc(OS(=O)(=O)c4ccccc4)cc3)SC2=S)cc1 3002146 TWCGWSPJSGEUCA-QNGOZBTKSA-N 467.593 5.169 10 50 JKCA COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OC(=O)c1ccc(F)cc1 3462437 CTVBYBRAAKZMOQ-HMAPJEAMSA-N 479.554 5.768 10 50 JKCA Cc1cc(-c2ccc(/C=C3\C(=O)N(c4ccc(C(=O)O)cc4)N=C3C(F)(F)F)o2)c([N+](=O)[O-])cc1C 16183576 QEPBXANOHSBPHR-WQRHYEAKSA-N 499.401 5.518 10 50 JKCA Cc1ccc(N2C(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3cccs3)SC2=S)cc1 2281994 ZIXODNKTSUKCCE-STZFKDTASA-N 459.621 6.315 10 50 JKCA O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cc(SCc3ccccc3)c(O)c3ccccc23)c1 8859982 SMSUMPVKNCTGAG-UHFFFAOYSA-N 466.540 5.547 10 50 JKCA CCCCN1C(=O)/C(=C\C=C2/SC(c3ccccc3)=C(c3ccccc3)N2CC)SC1=S 16677187 XQBOUJYVHVYKCS-JPACURRISA-N 478.708 6.967 10 50 JKCA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCCCC3)=NC2=O)cc1 27017155 JPWHAIVNGDSAHT-MOHJPFBDSA-N 472.614 5.784 10 50 JKCA O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1ccc(Cl)cc1Cl 1180774 PSKRRQAWXUDXKB-CXUHLZMHSA-N 471.818 5.877 10 50 JKCA CCCCSc1nnc2c(n1)O[C@@H](c1ccc(N(CCC)CCC)cc1)Nc1ccccc1-2 2916669 QUIKHXBAKFXXNT-DEOSSOPVSA-N 463.651 6.560 10 50 JKCA COc1ccccc1OCCOc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1 2994226 OJJNWMMFXMUPAI-QJOMJCCJSA-N 463.580 5.559 10 50 JKCA O=C1/C(=C\c2cccs2)SC(=S)N1CCCC(=O)N1c2ccccc2Sc2ccccc21 8757629 NAORDQKTRIGKPV-RCCKNPSSSA-N 494.688 6.559 10 50 JKCA C[C@H]1CN(Cc2c(O)ccc3c(=O)c(-c4cccc5ccccc45)c(C(F)(F)F)oc23)C[C@H](C)O1 19791784 HESWFMURDPMTQJ-HOTGVXAUSA-N 483.486 5.947 10 50 JKCA biogenic CC1=NN(c2ccc(Br)cc2Br)C(=O)/C1=C(/C)NCc1ccc(F)cc1 108004471 AVWYULPVAOHRDU-WQRHYEAKSA-N 481.163 5.137 10 50 JKCA Oc1ccc2c(oc3c(-c4ccc(OCCc5ccc6c(c5)CCO6)cc4)c4cn[nH]c4nc32)c1O 217835481 UILVPVAJPSZPKC-UHFFFAOYSA-N 479.492 5.492 10 50 JKCA biogenic COc1ccc(N2C(=O)N=C(O)/C(=C/c3cn(Cc4cccc(C)c4)c4ccccc34)C2=O)cc1 8744347 UDNADLQZIVYVEI-IWIPYMOSSA-N 465.509 5.513 10 50 JKCA O=C(Nc1cccc(N2CCC(NCc3ccc4c(c3)OCO4)CC2)c1)c1cccc(C(F)(F)F)c1 12218170 NGUXUESBMGMFGD-UHFFFAOYSA-N 497.517 5.445 10 50 JKCA N=C1/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C(=O)N=C2SC(c3ccccc3)=NN12 15800384 HFTZNLVFWKVZIL-FSWFDUBRSA-N 461.550 5.357 10 50 JKCA COc1ccc(-c2c(C(F)(F)F)oc3c(CN(C)Cc4ccccc4)c(O)ccc3c2=O)cc1OC 939994 NZCDHQVDPHVNKD-UHFFFAOYSA-N 499.485 5.834 10 50 JKCA COc1ccccc1N1C(=O)/C(=C/c2cccc(OC(=O)c3cccs3)c2)SC1=S 1136068 HTIBIPFDBQDXDJ-UYRXBGFRSA-N 453.566 5.382 10 50 JKCA CC1(C)CC(=O)c2c(oc3ccc(NS(=O)(=O)c4cccc5c4C(=O)c4ccccc4C5=O)cc23)C1 3878239 ISRPLTUDABNUSK-UHFFFAOYSA-N 499.544 5.164 10 50 JKCA COc1ccc2c(c1)S[C@H](c1ccccc1OC)CCN2Cc1cccc(OCCO)c1 12248090 JBFKARYVDHMFJO-VWLOTQADSA-N 451.588 5.319 10 50 JKCA CC[C@@H](C)c1ccccc1OCCCOc1c(/C=C2/SC(=S)N(C)C2=O)cccc1OC 22257551 FSZMNUHHPFUXIM-FIOICXDGSA-N 471.644 5.888 10 50 JKCA COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OC(=O)c1ccc(Cl)cc1 3001112 CTWMBOFARYROLP-HMAPJEAMSA-N 496.009 6.282 10 50 JKCA O=S(=O)(Nc1cccc(N2CCC(N3CCCC[C@@H]3c3ccccn3)CC2)c1)c1ccc(F)cc1 12455007 MFDVHPILYVVAHM-HHHXNRCGSA-N 494.636 5.218 10 50 JKCA CC[C@H](C)c1ccc(OCCn2cc(/C=C3\C(=N)N4N=CSC4=NC3=O)c3ccccc32)cc1 16248044 XPPLGOUJOMNAKO-UXBMUSEUSA-N 471.586 5.483 10 50 JKCA CCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)SC1=S 19800483 JFLWPMOKXMFWHF-CPNJWEJPSA-N 450.545 5.059 10 50 JKCA O=C1N=C(O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1c1ccc(Br)cc1 1203338 XFOMSWKANMADOE-WJDWOHSUSA-N 482.246 5.124 10 50 JKCA COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C(O)=NC2=S)cc1 2252121 MHGZSDOILSKVMJ-GZTJUZNOSA-N 483.889 5.188 10 50 JKCA CCOc1cc(/C=C2\SC(=S)N(CCOC)C2=O)ccc1OCc1cccc(Cl)c1 9295914 GSTHWYPXKJLGLG-MOSHPQCFSA-N 464.008 5.165 10 50 JKCA Cc1cc(/C=C2/C(=N)N3N=C(c4cccs4)SC3=NC2=O)c(C)n1-c1ccc(Cl)cc1 16225211 TZCGLCCKOCMWRC-GLGSTRKCSA-N 465.991 5.477 10 50 JKCA CCCOC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2 226970358 LTDGRJYSCILIQL-VHFRWLAGSA-N 498.535 6.207 10 50 JKCA CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)cc(Cl)c1OCCCOc1cccc(C)c1 12349489 PJFRHKOZPYJRHZ-RCCKNPSSSA-N 492.062 6.116 10 50 JKCA [N-]=[N+]=NCc1ccc(NC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc3ccccc3c2)cc1 2325871648 TYHJISAESJTSOL-AREMUKBSSA-N 497.580 5.404 10 50 JKCA COc1ccc(-c2ccc(/C=C3\C(=O)N(c4ccccc4)N=C3c3ccccc3)o2)c([N+](=O)[O-])c1 8666842 HDIOIPNMHMYURW-KQWNVCNZSA-N 465.465 5.698 10 50 JKCA O=C(O)c1ccc(-c2ccc(/C=C3/SC(=S)N(c4cccc5ccccc45)C3=O)o2)cc1 9310404 YZTDYXPBDVGGOG-HYARGMPZSA-N 457.532 6.204 10 50 JKCA CCOc1cccc(N2C(=O)N=C(O)/C(=C\c3ccc(-c4ccc(C(=O)O)c(Cl)c4)o3)C2=O)c1 15769415 KACPTEVDOLDBCA-LDADJPATSA-N 480.860 5.204 10 50 JKCA CCCCC1=NN2C(=N)/C(=C/c3ccc(OCCOc4ccccc4C)c(OC)c3)C(=O)N=C2S1 15837905 ADDQPGKZFIYUPD-ZKWSLEOOSA-N 492.601 5.271 10 50 JKCA CCN1C(=O)/C(=C\c2cc(Cl)ccc2OCCCOc2ccccc2OC)SC1=S 22257296 NAJLLJWTMOJHGD-XSFVSMFZSA-N 464.008 5.418 10 50 JKCA N=C1/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)N=C2SC(c3ccccc3)=NN12 32636309 XOIOTVMFNKZZNF-HFUGBDTNSA-N 467.337 5.921 10 50 JKCA COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OC(=O)c1ccccc1F 209880133 ASAIBZQCPJVFEL-HMAPJEAMSA-N 479.554 5.455 10 50 JKCA CCOC(=O)CCN1/C(=C\C=C2/SC(=S)N(c3ccccc3)C2=O)Sc2ccc(OC)cc21 2908529 BYSNXQGDHUYFDA-WELBJSHPSA-N 498.651 5.351 10 50 JKCA CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCCCC3)=NC2=O)cc1 26687697 RJFXBDGDPAGOFS-ULJHMMPZSA-N 472.614 5.783 10 50 JKCA Cc1ccc(CNC(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccc([N+](=O)[O-])cc2)N3)cc1C 36056670 DHHKXFZQQNWVNJ-DXBVXKBHSA-N 453.542 5.968 10 50 JKCA CC[C@H](C)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(Cl)c2)SC1=S 1837509 HQEAZVPSPVPUFW-MNAFEPAFSA-N 484.046 6.201 10 50 JKCA COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)cc(Cl)c2O[C@@H]3c2cc(Cl)ccc2O)cc1 25577687 QFYPFYUAEGVVAS-NFBKMPQASA-N 475.759 6.603 10 50 JKCA CCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC)c(C)c2)SC1=S 2216955 GWVZLZTZTSNXEN-ULJHMMPZSA-N 491.682 6.638 10 50 JKCA CN(c1ccccc1)c1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 2992880 ZHIHTVUVMYSEBQ-KGENOOAVSA-N 470.541 6.879 10 50 JKCA O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2)N1CCCc2ccccc21 35347562 NXUUFTRTEFEXGF-NOTUOJBMSA-N 451.526 6.014 10 50 JKCA O=C1N=C(O)/C(=C\c2ccc(OCc3ccc(F)cc3)c(Cl)c2)C(=O)N1c1cccc([N+](=O)[O-])c1 1182320 OKEFXTSIYZRYRS-VXLYETTFSA-N 495.850 5.473 10 50 JKCA Cc1ccc(/C=C2\SC(=S)N(CCC(=O)N(Cc3ccccc3)c3ccccc3)C2=O)cc1 1774917 MCOLNMHGWNRPJX-MOHJPFBDSA-N 472.635 5.820 10 50 JKCA COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2 44676361 FGEICFJXYMMLJN-MVYHEMRASA-N 491.569 5.539 10 50 JKCA Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1F 2533064 VRDGEMRYQJOGJI-XKZIYDEJSA-N 475.570 5.981 10 50 JKCA CCCCCCN1C(=O)/C(=C2/C(=O)N(Cc3ccccc3Cl)c3ccccc32)SC1=S 2672172 ZKVBMVRYVSLKPY-MRCUWXFGSA-N 471.047 6.039 10 50 JKCA O=C(O)CCCCCCCCCCN1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S 8765661 PLHBUOBRJNGCRQ-JXAWBTAJSA-N 474.475 6.790 10 50 JKCA COCCN1C(=O)/C(=C/c2cc(Br)ccc2OCc2cccc(F)c2)SC1=S 2960257 ARLVJMCCAVZORP-WQRHYEAKSA-N 482.396 5.015 10 50 JKCA CCOc1cccc(CN2CCC([C@H](Cc3ccccc3F)N(C)C(=O)c3ccsc3)CC2)c1O 12166909 HXQQEWPPLWJCKU-VWLOTQADSA-N 496.648 5.587 10 50 JKCA CCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(N(CC)CC)cc4)[C@H]3C2=O)cc1 245312088 SDFGADUTZMUCIW-JCYYIGJDSA-N 499.611 5.373 10 50 JKCA CCCCCCN1C(=O)/C(=C2/C(=O)N(CC(=O)Nc3cccc(C)c3)c3ccccc32)SC1=S 1823302 KXJKTVPXLRNBTE-FCQUAONHSA-N 493.654 5.132 10 50 JKCA Cc1ccc(COc2ccc(/C=C3/SC(=S)N([C@H](C(=O)O)c4ccccc4)C3=O)cc2)cc1 32694365 VILIDXQCUWDJSI-DWFNGTSHSA-N 475.591 5.601 10 50 JKCA O=C1N=C(NCc2ccccn2)S/C1=C/c1ccc(-c2ncc(C(F)(F)F)cc2Cl)cc1 263640052 VAFSDAQENNBOFN-GIJQJNRQSA-N 474.895 5.576 10 50 JKCA CC(C)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2)SC1=S 2269025 XMBJCRWMNCWVSH-UCQKPKSFSA-N 477.655 6.184 10 50 JKCA COC(=O)c1ccc(/C=C2/C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C(=O)N=C2O)cc1 16156674 QGWIFYLFBOCTMN-HYARGMPZSA-N 490.899 5.212 10 50 JKCA CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2cccc([N+](=O)[O-])c2)N3)cc1 111441058 DNXTXNYDHDNNII-JQYIIUTOSA-N 491.569 5.621 10 50 JKCA COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OC(=O)c1cccs1 1173873 UKKFBHCPLMYPBX-DEDYPNTBSA-N 467.593 5.377 10 50 JKCA O=C1N=C(O)/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1c1ccc(OCc2ccc(Cl)cc2)cc1 1138282 PUSWURZZJPNSSL-YBFXNURJSA-N 483.307 5.785 10 50 JKCA O=C1/C(=C/c2ccc(OCc3ccccc3)c(Br)c2)SC(=S)N1Cc1ccccc1 2825055 VGIZZFGCLWXJFD-HMAPJEAMSA-N 496.451 6.430 10 50 JKCA COc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)ccc1OC(=O)c1cccs1 15799315 QGNMHMHCCKSOFH-UYRXBGFRSA-N 459.614 5.510 10 50 JKCA COc1ccc(OCCOc2ccc(/C=C3\SC(=S)N(c4ccc(OC)cc4)C3=O)cc2)cc1 15856729 UBTMNDNDRNMKAY-ULJHMMPZSA-N 493.606 5.567 10 50 JKCA COc1ccc(-c2ccc(/C=C3/C(=O)N(c4ccc(C)c(Cl)c4)N=C3C)o2)c([N+](=O)[O-])c1 22298664 OCMFNLSNMYEJES-YBFXNURJSA-N 451.866 5.631 10 50 JKCA CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCc1ccc(C)cc1 1117681 LFJKNSUNGOFYPF-FVHJOOJJSA-N 469.628 5.353 10 50 JKCA O=C(COc1ccc(Cl)cc1Cl)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12 1782203 YBRXVWSYIAYLSF-VWLOTQADSA-N 452.337 6.137 10 50 JKCA O=C(O)c1cccc(-c2ccc(/C=C3\SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)o2)c1 16386321 BEWAZKJPAXDZDV-WQRHYEAKSA-N 475.469 6.069 10 50 JKCA CCCC[C@@H](CC)CN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccccc2)SC1=S 33939535 RQAMSOGMQKNBCC-HQXXTQMQSA-N 475.683 6.957 10 50 JKCA COc1ccc(C2=NN3[C@H](c4ccc(N(C)C)cc4)Oc4ccc(Br)cc4[C@H]3C2)cc1 248021407 FNQRCMMDHDKNSY-NOZRDPDXSA-N 478.390 5.766 10 50 JKCA CCN1C(=O)/C(=C/c2ccc(OC)c(COc3c(Cl)cc(Cl)cc3Cl)c2)SC1=S 2768977 WUOQFOCJHCHHIR-IDUWFGFVSA-N 488.845 6.456 10 50 JKCA Cc1cccc(N2C(=O)N=C(O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C2=O)c1 15722555 KNWJRGTUTVAADY-BOPFTXTBSA-N 451.822 5.323 10 50 JKCA COc1ccccc1[C@H](CCN(Cc1ccc(N(C)C)cc1)C(C)=O)c1ccc(OC(C)C)cc1 2087754 CDNZCIOMBUXMMX-MUUNZHRXSA-N 474.645 6.119 10 50 JKCA biogenic Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1F 2533062 DBRPLEOUUHVMMI-ZWAQGKOVSA-N 479.602 5.367 10 50 JKCA CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC(C)C)C2=O)cc1C 2309148 OUKZRHVDYCINKB-UCQKPKSFSA-N 477.655 6.104 10 50 JKCA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCOC)C2=O)cc1F 2508718 TXBMRLSABMJKBG-JCMHNJIXSA-N 497.617 5.315 10 50 JKCA O=C(O)c1nc(Cl)c(Cl)c(/N=N/c2c(Cl)c(Cl)nc(C(=O)O)c2Cl)c1Cl 4016312 MMYQJUMBIIOSNX-QURGRASLSA-N 478.890 6.209 10 50 JKCA N=C1S/C(=C\c2ccc(-c3cccc(C(=O)O)c3)o2)C(=O)N1c1ccc(OC(F)(F)F)cc1 8867286 MBJNMDBAACSSKO-BTGMWCQSSA-N 474.416 5.599 10 50 JKCA COc1cccc(CN2CCC([C@@H](Cc3ccccc3Cl)N(C)C(=O)c3ccco3)CC2)c1O 15069875 JFNBRMQNGBRZRV-HSZRJFAPSA-N 483.008 5.243 10 50 JKCA CN(C)c1ccc([C@H]2C3=C(N=C4N=CNN42)c2cc(Cl)ccc2O[C@@H]3c2ccc(Cl)cc2)cc1 25577977 HHRBSXWNMOTCSX-LOSJGSFVSA-N 490.394 5.864 10 50 JKCA COc1cccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3[C@H]3C=CC[C@@H]32)c1OC 36056889 AAUVXYKHBGERAS-ZYLNGJIFSA-N 480.561 5.470 10 50 JKCA O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1ccccc1C(F)(F)F 1181700 JCXDPXFDNFSEFJ-WJDWOHSUSA-N 470.925 5.589 10 50 JKCA Cc1ccccc1N1C(=O)/C(=C/c2ccc(OS(=O)(=O)c3ccccc3)cc2)SC1=S 3000327 JPSFRVRJAYMIJF-QNGOZBTKSA-N 467.593 5.169 10 50 JKCA COc1ccc2sc(N[C@@H](c3ccc(OC(F)F)cc3)c3ccc4cccnc4c3O)nc2c1 521836551 YSGBFDHVEQJPPX-NRFANRHFSA-N 479.508 6.362 10 50 JKCA CC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccccc3Cl)SC2=S)cc1 1182834 BDCIOTDMIREENT-UYRXBGFRSA-N 458.992 5.163 10 50 JKCA CCc1ccc(-c2c3c(c(-c4ccccc4)n2-c2ccc(OC)cc2)C(=O)c2ccccc2C3=O)cc1 2273313 ULZKROXSEWOEFB-UHFFFAOYSA-N 483.567 7.158 10 50 JKCA COc1cc(/C=C2\SC(=S)N(C3CCCC3)C2=O)ccc1OCc1ccc(Cl)cc1 2668062 ZCINEZWBOYTILX-BKUYFWCQSA-N 460.020 6.071 10 50 JKCA O=S(=O)(Nc1ccc(O)c(-c2c(O)ccc3ccccc23)c1)c1ccc(Br)cc1 8871904 OUGNEAMAVPNAPK-UHFFFAOYSA-N 470.344 5.481 10 50 JKCA CCOC(=O)c1c(C)sc(C(c2ccc(F)cc2)c2sc(C)c(C(=O)OCC)c2O)c1O 12413787 XKIPBQVXFDPOIF-UHFFFAOYSA-N 478.563 5.510 10 50 JKCA Cc1ccc(NC2=NC(=O)/C(=C\c3ccc(-c4cc(C(=O)O)ccc4Cl)o3)S2)c(C)c1 223254360 WNQRPXVOCWOPEG-RGVLZGJSSA-N 452.919 5.997 10 50 JKCA O=c1c(Oc2ccccc2Br)c(C(F)(F)F)oc2c(CN3CCCC3)c(O)ccc12 934298 LTMIYMAXHPKSLK-UHFFFAOYSA-N 484.268 5.668 10 50 JKCA biogenic CCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)SC1=S 2677766 PCKQFOLKKYCXET-JWGURIENSA-N 465.619 6.460 10 50 JKCA CCOc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OCc1cccc(C)c1 2852261 XPFZTVZONRZJDA-PCLIKHOPSA-N 475.635 6.374 10 50 JKCA O=C1c2ccccc2-c2onc3c(Oc4ccc(Cl)cc4)cc(Oc4ccc(Cl)cc4)c1c23 2894733 KDEKNOMZFQRBLA-UHFFFAOYSA-N 474.299 7.931 10 50 JKCA COc1ccc(CN2CCC3(CC2)C[C@@H]3C(=O)NCCC(c2ccccc2)c2ccccc2)c(O)c1 12034905 WGCWLJDADSQUQK-MUUNZHRXSA-N 484.640 5.341 10 50 JKCA Oc1ccc(Br)cc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc4ccccc4c3)=NN12 25901681 SMXFFUBYUKAKJJ-BVAGGSTKSA-N 471.354 6.550 10 50 JKCA COC(=O)c1sc2nc(-c3sc(-c4ccccc4)nc3C)cc(-c3ccccc3)c2c1N 221553644 CZXNLHVTJHMBED-UHFFFAOYSA-N 457.580 6.431 10 50 JKCA CCOC(=O)N1CCc2c(sc(NCc3cccc(F)c3)c2C(=O)Nc2ccccc2OCC)C1 920954 GDLLVVLPNASPNP-UHFFFAOYSA-N 497.592 5.665 10 50 JKCA O=C(COc1ccccc1)N[C@H](c1ccc(Cl)cc1)c1cc(Cl)c2cccnc2c1O 1170062 DUVLYWRLPNUXKZ-JOCHJYFZSA-N 453.325 5.532 10 50 JKCA CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(Cc3ccc(C(=O)O)cc3)C2=O)cc1 2818955 XKLGGNBXZDZEME-PXLXIMEGSA-N 459.929 5.904 10 50 JKCA CN1CCN(Cc2c(O)ccc3c(=O)c(-c4cccc5ccccc45)c(C(F)(F)F)oc23)CC1 19791782 FULZUJRWKMZMNZ-UHFFFAOYSA-N 468.475 5.085 10 50 JKCA Cc1ccc2c(c1)NC(C)(C)C(=S)C2=C1SC(C(=O)OC(C)C)=C(C(=O)OC(C)C)S1 9015585 MMYBURPJGJTWFY-UHFFFAOYSA-N 477.673 5.832 10 50 JKCA COc1cc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)ccc1OCc1ccccc1 13898642 DUIMEHHOCLHZPE-ICALIKLASA-N 474.586 5.474 10 50 JKCA O=C(O)c1ccc(N2N=C(c3ccccc3)/C(=C/c3cc(Cl)c(O)c(Cl)c3)C2=O)cc1 13914348 BADQDZRAXXMCIM-YVLHZVERSA-N 453.281 5.232 10 50 JKCA COCCN1C(=O)/C(=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)SC1=S 2986446 TVLSTYWCKIROLK-YVLHZVERSA-N 472.390 5.559 10 50 JKCA O=C(O)c1ccccc1-c1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)o1 4665410 MIRJSOROLUIZDU-UHFFFAOYSA-N 494.528 5.393 10 50 JKCA COc1ccc(CCOc2ccc(-c3c4cn[nH]c4nc4c3oc3c(O)c(O)ccc34)cc2)cc1 217608666 NFIAAIIBOVITPK-UHFFFAOYSA-N 467.481 5.566 10 50 JKCA biogenic CCCCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc3ccccc3c2)SC1=S 33706407 SGGBJHOVQUFNQK-LGUFXXKBSA-N 497.689 7.474 10 50 JKCA O=C1N=C(O)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)N1Cc1ccccc1 1163868 YSYAUXPGAPMZFW-CIAFOILYSA-N 481.335 6.075 10 50 JKCA Cc1cccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)SC2=S)c1 6188482 IRSBHCYBMXVJQK-SRZZPIQSSA-N 473.450 7.115 10 50 JKCA CN1C(=O)/C(=C\c2cc(Br)ccc2OCc2c(Cl)cccc2Cl)SC1=S 6574805 WLNRMSNEZARKMG-LZYBPNLTSA-N 489.243 6.166 10 50 JKCA COc1cc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)ccc1OCc1cccc2ccccc12 6396337 LRVARUGFNDKNID-YSMPRRRNSA-N 498.629 6.224 10 50 JKCA Cc1ccc(S(=O)(=O)Nc2ccc(O)c(Sc3nc4ccccc4s3)c2)cc1[N+](=O)[O-] 8859955 HQPFVGJRZQQOHH-UHFFFAOYSA-N 473.557 5.171 10 50 JKCA O=C(Nc1ccc(F)cc1)c1ccc2c(c1Sc1ccc(Cl)cc1)C(=O)c1ccccc1C2=O 12377233 JWDVWWMGYMZQDK-UHFFFAOYSA-N 487.939 6.658 10 50 JKCA O=C(CN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1ccccc1C(F)(F)F 1184336 WPLYMQUBUNVYKG-DHDCSXOGSA-N 456.898 5.199 10 50 JKCA Cc1c(OCC(C)C)cccc1-c1nn(-c2ccccc2)cc1/C=C1\SC(=S)N(C)C1=O 2533102 VHFFEMHUMNPALI-XKZIYDEJSA-N 463.628 5.714 10 50 JKCA O=C1/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)SC(=S)N1Cc1ccco1 2813083 WQADBHQPOOGJQZ-JAIQZWGSSA-N 486.958 5.822 10 50 JKCA O=C1/C(=C\c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)SC(=S)N1Cc1ccccc1 12959907 JOFNYYCPQGFLQX-FYJGNVAPSA-N 499.038 6.801 10 50 JKCA CC[C@@H](C)N1C(=O)/C(=C/c2c(Sc3ccccc3)nc3c(C)cccn3c2=O)SC1=S 2201602 FJFAIDHOICIILB-QLENYVDCSA-N 467.641 5.154 10 50 JKCA O=C(CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1cc(Cl)ccc1O 2381811 HUGFZYMWSXGOKC-SFQUDFHCSA-N 467.037 5.507 10 50 JKCA CCc1cc2c(=O)c(-c3cnn(-c4ccccc4)c3)coc2c(CN2CCCC[C@@H]2CC)c1O 2996678 POLNWZAMALLAES-NRFANRHFSA-N 457.574 5.678 10 50 JKCA CN(C)c1ccc([C@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccc(F)cc4)=NN32)cc1 6135914 CBBPAFBHSFFNGC-LADGPHEKSA-N 466.354 5.897 10 50 JKCA Cc1ccc(C2=NN3C(=N)/C(=C/c4cccc(OCc5ccccc5)c4)C(=O)N=C3S2)cc1 8493108 VOFUYOQAKUIJCR-KLUMOMIWSA-N 452.539 5.241 10 50 JKCA CCOc1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc(C(F)(F)F)c4)o3)SC2=S)cc1 13590935 ZITGYYVTLXSHOW-DEDYPNTBSA-N 475.513 6.770 10 50 JKCA CCN1/C(=C/C=C/c2sc3cc(OC)c(OC)cc3[n+]2CC)Sc2cc(OC)c(OC)cc21 685944542 VWIWVMNVAJUVBW-UHFFFAOYSA-N 485.651 5.730 10 50 JKCA COc1cc(Br)cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)c1O 1150594 CHODGKVSHUUVKU-VGOFMYFVSA-N 456.770 5.223 10 50 JKCA Cc1ccc(C)c(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c1 1162276 ITDBCRWUFKNPGV-VLDJDNEVSA-N 475.639 5.536 10 50 JKCA O=C(CCCOc1ccc(Cl)cc1Cl)Nc1cccc2c1C(=O)c1ccccc1C2=O 8435029 HWKQWCQFLZMDBH-UHFFFAOYSA-N 454.309 5.567 10 50 JKCA COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 169620946 KVINNEUXOBBPAZ-GAKIBJFNSA-N 494.374 6.826 10 50 JKCA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCCCC3)=NC2=O)cc1 13810401 JPWHAIVNGDSAHT-HKOYGPOVSA-N 472.614 5.784 10 50 JKCA CN1CCN(c2ccc([C@@H]3Nc4ccccc4C(=O)N3c3ccc(F)cc3Cl)cc2)CC1 888096140 VDVKWJRDPNUGHU-XMMPIXPASA-N 450.945 5.002 10 50 JKCA COc1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc(C(F)(F)F)c4)o3)SC2=S)cc1 4509031 LAEQOMVPHKEMBO-XDHOZWIPSA-N 461.486 6.380 10 50 JKCA N=C1/C(=C/c2ccc(OCc3ccccc3Cl)cc2)C(=O)N=C2SC(c3ccccc3)=NN12 7018004 IVOJHSSIECAVCT-ZEOXQOHMSA-N 472.957 5.586 10 50 JKCA CCOc1cc(/C=C2\SC(=S)NC2=O)cc(Br)c1OCc1ccccc1C 15821539 YRBUCJISKJTMCI-YVLHZVERSA-N 464.406 5.224 10 50 JKCA CCCCCN1C(=O)/C(=C2\SC(=S)N(CC(C)C)C2=O)c2cc(Br)ccc21 16731068 QGAVVXOSZLPHJZ-MSUUIHNZSA-N 467.454 5.213 10 50 JKCA COc1ccc(OC)c(-c2ccc(O)c(CN3CCN(c4cccc(C(F)(F)F)c4)CC3)c2)c1 55053806 RDVTVYLGMAWBOE-UHFFFAOYSA-N 472.507 5.417 10 50 JKCA O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(c2ccc(OCc3ccccc3)cc2)CC1 2789369 BXZLKIKPJRBVPN-UHFFFAOYSA-N 455.385 5.464 10 50 JKCA CCCCC1(CC(=O)Nc2ccccc2[N+](=O)[O-])C(=O)N(c2ccccc2)N(c2ccccc2)C1=O 8781033 MSFHTAULFKAYGJ-UHFFFAOYSA-N 486.528 5.095 10 50 JKCA CCC(=O)c1ccc(Br)cc1/N=[N+](\[O-])c1cc(Br)ccc1C(=O)CC 9659691 BOALUVXUJWQPQA-DQRAZIAOSA-N 468.145 6.323 10 50 JKCA COc1cc([C@@H]2CC(=O)Oc3c2c2nc4ccccc4nc2c2ccccc32)cc2c1OCCO2 217802467 LRDKRNLCDPQWLR-SFHVURJKSA-N 464.477 5.157 10 50 JKCA biogenic CCN1C(=O)/C(=C/c2ccc(OC)c(COc3c(F)c(F)cc(F)c3F)c2)SC1=S 1015916 LFZYMDQNTBLNKZ-CHHVJCJISA-N 457.470 5.052 10 50 JKCA COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)c(C)c1 16193148 UNPRGFXNJPTKIK-KURUZVKSSA-N 491.638 5.237 10 50 JKCA O=C(O)c1cccc(-c2ccc(/C=C3\C(=O)N(c4cccc(Cl)c4Cl)C(=O)N=C3O)o2)c1 16266449 LJANPLWACDDTLM-UVTDQMKNSA-N 471.252 5.458 10 50 JKCA COc1ccccc1OCCOc1ccccc1/C=C1\SC(=S)N(c2ccccc2C)C1=O 3000996 NRVUGRMAYGSKKB-ULJHMMPZSA-N 477.607 5.867 10 50 JKCA COc1ccc(Oc2c(C(F)(F)F)oc3c(CN4CCC[C@H](C)C4)c(O)ccc3c2=O)cc1 19793084 VVHVYMSZDXXETF-AWEZNQCLSA-N 463.452 5.550 10 50 JKCA COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc(Cl)c1OC(=O)c1ccco1 1118512 NICVQXVGFFWKPS-UNOMPAQXSA-N 485.970 5.875 10 50 JKCA O=C(O)c1cc(-c2ccc(/C=C3/SC(=S)N(c4cccc(F)c4)C3=O)o2)ccc1Cl 15012084 ZDDVEKTVWSFYQX-VCHYOVAHSA-N 459.907 5.843 10 50 JKCA Cc1ccccc1/N=N/c1ccc(N[C@@H](NC(=O)c2cccs2)C(Cl)(Cl)Cl)c(C)c1 25560747 IDXPWXHTRHPSMT-IJOGZLALSA-N 481.836 7.319 10 50 JKCA Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2ccc(C(=O)O)cc2)N3)cc1C 36056887 XCBONKHCCRJMNW-PLXFJCCSSA-N 474.582 5.629 10 50 JKCA COc1ccccc1NC[C@@H](O)Cn1c(-c2ccccc2)c(-c2ccccc2)c2cc(C)cc(C)c21 1894944 DJNDTFZJXVFFJI-AREMUKBSSA-N 476.620 7.074 10 50 JKCA O=C1/C(=C/c2c(Sc3ccccc3)nc3ccccn3c2=O)SC(=S)N1Cc1ccccc1 2202723 PWEHUNZTWRPZGT-HKWRFOASSA-N 487.631 5.247 10 50 JKCA O=C1/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)SC(=S)N1Cc1cccnc1 15010794 SEEJIUJAJZIGCC-NHDPSOOVSA-N 497.985 5.624 10 50 JKCA O=c1cc2oc3cc(O)c(O)cc3c(-c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c-2cc1O 16225799 SNXZNINDNDNFPX-UHFFFAOYSA-N 471.421 5.169 10 50 JKCA O=C(O)c1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C=C2c2ccccc2)cc1 34139163 BBQRBOIMSKMFFO-PGMHBOJBSA-N 478.460 6.024 10 50 JKCA in-vitro CCCOC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2 226970344 LTDGRJYSCILIQL-UMTXDNHDSA-N 498.535 6.207 10 50 JKCA CN(C)Cc1c(O)ccc2c(=O)c(Oc3ccc(-c4ccccc4)cc3)c(C(F)(F)F)oc12 1770941 XSLYEWMCHDLCLC-UHFFFAOYSA-N 455.432 6.038 10 50 JKCA CCCC[C@@H](CC)CN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccco2)SC1=S 12615081 UCYSFSSVEOVMLE-GNFOSXPUSA-N 465.644 6.550 10 50 JKCA O=C1/C(=C\c2cc([N+](=O)[O-])ccc2OCc2ccccc2Cl)SC(=S)N1c1ccccc1 15856470 RUYMODACNLIICP-FYJGNVAPSA-N 482.970 6.233 10 50 JKCA C[C@H]1CN(Cc2c(O)ccc3c(=O)c(Oc4ccc5ccccc5c4)c(C(F)(F)F)oc23)C[C@H](C)O1 19791841 NOFQVNLZFBUKGR-HOTGVXAUSA-N 499.485 6.072 10 50 JKCA biogenic COc1ccc(C2=NN3[C@H](c4cc(Br)ccc4O)Oc4ccccc4[C@H]3C2)cc1 245333722 ADTALBIGUNGUOD-OFNKIYASSA-N 451.320 5.406 10 50 JKCA COc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N=C2O)ccc1OCc1ccccc1F 15722972 WINUBEWVBCZFDX-CPNJWEJPSA-N 462.502 5.085 10 50 JKCA COc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4ccccc4Cl)cc3)SC2=S)cc1 2929801 CBLOKYVQUBPFIN-UCQKPKSFSA-N 482.026 6.329 10 50 JKCA C[C@H](Cc1cncs1)NC1CCN(c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)CC1 12040847 SHTFADDJNBGPOR-QGZVFWFLSA-N 488.579 5.604 10 50 JKCA CCCC[C@H](CC)CN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccco2)SC1=S 12615087 UCYSFSSVEOVMLE-LUJYGJGBSA-N 465.644 6.550 10 50 JKCA CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C(C)C)C2=O)cc1C 13810318 WNOKTYLPAPMCGD-HMAPJEAMSA-N 463.628 5.856 10 50 JKCA CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)ccc1OCCOc1ccccc1Cl 22229125 BDHPQWYHQBKTGP-ZHZULCJRSA-N 464.008 5.418 10 50 JKCA CCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(C)oc2c(CN2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c1O 238900781 JXQJYEHDXZEKRY-QJWGWKRISA-N 499.655 6.324 10 50 JKCA Cc1ccccc1C1=NN2C(=N)/C(=C/c3ccc(OCc4ccc(F)cc4)cc3)C(=O)N=C2S1 15837979 BGRHAESTMLILIP-SDOZFXMSSA-N 470.529 5.381 10 50 JKCA COC(=O)C1=C(c2ccccc2)S/C(=C2/C(=S)C(C)(C)N(C(C)=O)c3ccccc32)S1 1782175 LDESMALFVFKEIB-NKFKGCMQSA-N 467.637 5.892 10 50 JKCA CC1=NN2C(=N)/C(=C\c3ccc(OCCCOc4ccc(C(C)(C)C)cc4)cc3)C(=O)N=C2S1 16192739 NAUUTVWULWCGLR-JRNAOYQWSA-N 476.602 5.471 10 50 JKCA Cc1ccc(N2C(=O)N=C(O)/C(=C\c3cc(C)n(-c4ccccc4C(F)(F)F)c3C)C2=O)cc1 1153321 WYZZNFAGOAJBPK-CPNJWEJPSA-N 467.447 5.928 10 50 JKCA CCOC(=O)N1CCN(C(=S)Nc2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)CC1 15684860 FXRZBBCVXGQWPQ-UHFFFAOYSA-N 495.608 5.560 10 50 JKCA Cc1ccc(Sc2cc(Sc3ccc(C)cc3)c3noc4c3c2C(=O)c2ccccc2-4)cc1 1742650 RSLVIWLNWDOYDX-UHFFFAOYSA-N 465.599 7.958 10 50 JKCA CCCc1ccc(-c2c3c(c(-c4ccccc4)n2-c2ccc(OC)cc2)C(=O)c2ccccc2C3=O)cc1 1777962 OPUUDEUUSVODQV-UHFFFAOYSA-N 497.594 7.548 10 50 JKCA Cc1ccc(C)c(S(=O)(=O)Nc2cc(-c3c(O)ccc4ccccc34)c(O)c3ccccc23)c1 2954543 QPWDMJHZGHVYAU-UHFFFAOYSA-N 469.562 6.489 10 50 JKCA CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)ccc1OCCOc1ccc(C)cc1C 2977694 ZKGYXEWDAJIQJZ-JCMHNJIXSA-N 457.617 5.381 10 50 JKCA Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(Cl)c4Cl)o3)C(=O)NC2=S)cc1 9295816 UMPOFUWDVSRFED-LFIBNONCSA-N 457.338 5.393 10 50 JKCA CCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC)cc2C)SC1=S 2365999 MCJGCPSZGXSKIW-ULJHMMPZSA-N 491.682 6.638 10 50 JKCA CCCC[C@@H](CC)CN1C(=O)/C(=C2/C(=O)N(CC)c3ccc(Br)cc32)SC1=S 16730248 DWHIMIJTEUKSGV-XAGMJWQQSA-N 481.481 5.603 10 50 JKCA O=C(COc1cc(Cl)ccc1Cl)N1CCN(c2ccc(OCc3ccccc3)cc2)CC1 2805998 IOARVTRCYVCFBN-UHFFFAOYSA-N 471.384 5.300 10 50 JKCA CCOCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC1=S 16729675 COWYLLFCXMQDSY-QNGOZBTKSA-N 484.046 5.821 10 50 JKCA O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccccc2)SC(=S)N1CCc1ccccc1 16730195 XBFLWASKNXAZFV-MOHJPFBDSA-N 467.619 5.983 10 50 JKCA CCn1c(/C=C/c2c(C)n(CC)c3ccccc23)nc2ccc(I)cc2c1=O 16399452 AGSIGQKKNJYYRM-ACCUITESSA-N 483.353 5.474 10 50 JKCA O=C1c2cccc(OC(=O)C3[C@@H]4CCCC[C@@H]34)c2C(=O)c2c(OC(=O)[C@@H]3[C@H]4CCCC[C@H]43)cccc21 239296788 DIMAYDDWOJVDEP-GQBZEOFPSA-N 484.548 5.145 10 50 JKCA COc1ccc(N2CCN(C(=O)c3cc4c(C)nn(-c5cccc(Cl)c5)c4s3)CC2)cc1F 1776002789 DIBCLJYLQJDWJF-UHFFFAOYSA-N 484.984 5.159 10 50 JKCA COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)o1 1150856 CUAYTCONWFYFGO-YBFXNURJSA-N 456.476 5.408 10 50 JKCA O=C1/C(=C/c2cc(Cl)ccc2OCCOc2ccccc2)SC(=S)N1Cc1ccccc1 2994263 GTXYGGQRICWGOM-KQWNVCNZSA-N 482.026 6.199 10 50 JKCA Cc1c(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)c2ccccc2n1Cc1ccc(F)cc1 15800318 XPRMAPQKFNHCLR-WOVJFNANSA-N 459.550 5.412 10 50 JKCA O=C1N[C@H](c2cc(Br)ccc2O)Nc2c1sc1nc(C(F)F)cc(C3CC3)c21 20608398 SASSXYLILLLDKK-QGZVFWFLSA-N 466.307 5.434 10 50 JKCA CCc1nc(NC(=O)CCn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@@H]32)sc1C 1772500480 GBJZJCYFEKOLCW-AREMUKBSSA-N 499.640 5.144 10 50 JKCA COc1ccc(OCCOc2ccccc2)c(/C=C2\SC(=S)N(c3ccccc3C)C2=O)c1 2811975 KGKGYFSSSVNCRD-ULJHMMPZSA-N 477.607 5.867 10 50 JKCA Cc1cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1cccnc1 6183304 KOKBIWNNLFCIDD-VXLYETTFSA-N 459.518 5.914 10 50 JKCA CCOc1cc(/C=C2\SC(=S)N(Cc3ccc(OC)cc3)C2=O)ccc1OCc1ccccc1 16689197 UAMDTVHVVGITSC-XYGWBWBKSA-N 491.634 6.074 10 50 JKCA CCOc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)SC2=S)cc1 19893313 VOJOUWZEJWCVNX-DEDYPNTBSA-N 452.513 5.659 10 50 JKCA CCCCCN(CCCCC)c1ccc(C=CC=Cc2cc[n+](CCCCS(=O)(=O)O)cc2)cc1 4262503 URNCTMHGJQSLOC-UHFFFAOYSA-O 499.741 6.556 10 50 JKCA O=C1c2ccccc2C(=O)c2c1c(Sc1ccccc1)c1ccccc1c2Sc1ccccc1 16663525 OVRDDBKQTKBMQP-UHFFFAOYSA-N 474.606 7.918 10 50 JKCA COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)N(Cc1cc([N+](=O)[O-])ccc1O)CC2 16672237 MKQIARGPLSYWTL-DEOSSOPVSA-N 454.910 5.119 10 50 JKCA COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2ccc(F)cc2)N3)cc1 111478777 UFYLZPWFVCSJOQ-TZBSWOFLSA-N 450.535 5.462 10 50 JKCA CCCOC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2 226974530 ASIGJLIWVBVUQX-VHFRWLAGSA-N 498.535 6.207 10 50 JKCA CCOc1cc(/C=C2/SC(=S)NC2=O)cc(Cl)c1OCCCOc1ccccc1OC 15857275 RCGPHTRUJBKGAP-CPNJWEJPSA-N 480.007 5.084 10 50 JKCA CCc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)cc3)C2=O)cc1 16212299 RCGLTMAOXDHIIB-HAHDFKILSA-N 471.469 5.243 10 50 JKCA CN1C(=O)/C(=C/c2ccc(OC(=O)c3ccc(Cl)cc3)c(Br)c2)SC1=S 1117851 XZCQLLBJZMUYMF-DHDCSXOGSA-N 468.781 5.153 10 50 JKCA Cc1ccccc1N1C(=O)/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)SC1=S 3002206 XXWDRGYBUYHKFO-ODLFYWEKSA-N 456.932 6.222 10 50 JKCA CCOc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1OCc1ccc(F)cc1 9295910 ZAQHASDEYNKYNO-UQQQWYQISA-N 493.625 6.247 10 50 JKCA Cc1cccc(Oc2c(C(F)(F)F)oc3c(CN4C[C@H](C)O[C@H](C)C4)c(O)ccc3c2=O)c1 19791550 XZUWPKSJPCCULQ-GASCZTMLSA-N 463.452 5.227 10 50 JKCA biogenic Oc1c(Cl)cc(Cl)cc1[C@@H]1Oc2c(Cl)cc(Cl)cc2[C@H]2CC(c3ccccc3)=NN12 25558577 HLWNFZUSCCQXTE-KNQAVFIVSA-N 480.178 7.248 10 50 JKCA CCOc1c(Cl)cc(/C=C2/C(=O)N(c3cccc(Cl)c3Cl)C(=O)N=C2O)cc1OC 1129755 MXGJBQOFUTVPEZ-YRNVUSSQSA-N 469.708 5.561 10 50 JKCA COCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cc(C)ccc2C)SC1=S 2287883 CZYOGTRWLIXWNF-PXLXIMEGSA-N 463.628 5.394 10 50 JKCA CCc1ccc(S(=O)(=O)Nc2cc(-c3c(O)ccc4ccccc34)c(O)c3ccccc23)cc1 8871910 AEFDQOZSDOVHPZ-UHFFFAOYSA-N 469.562 6.434 10 50 JKCA CCOC(=O)c1c(C)sc(C(c2cccc(F)c2)c2sc(C)c(C(=O)OCC)c2O)c1O 12413788 DSOLKDUFKZVITQ-UHFFFAOYSA-N 478.563 5.510 10 50 JKCA CCOc1ccc(N2C(=O)/C(=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)SC2=S)cc1 15684977 CHXDFHMQNYSBMK-UDWIEESQSA-N 476.406 7.058 10 50 JKCA CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCCOC)C2=O)cc1 19912606 NJDQDYOOUAHSFH-CJLVFECKSA-N 479.627 5.176 10 50 JKCA CCCCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(C)c2)SC1=S 38206469 YFTWXHGCIFJSIZ-JJIBRWJFSA-N 491.682 6.638 10 50 JKCA COc1ccc(C2=C(/C=C3\SC(=S)NC3=O)[C@@H](c3ccccc3)c3ccccc3O2)cc1 1896571 YLGGDAUKVCWTPA-AMCKHAKVSA-N 457.576 5.663 10 50 JKCA CCN(CC)c1ccc([C@@H]2Nc3ccccc3-c3nnc(SCc4ccccc4)nc3O2)cc1 2874323 OSNNXQVLHCPCTA-RUZDIDTESA-N 469.614 6.180 10 50 JKCA COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)cc(Cl)c2O[C@@H]3c2cc(Cl)ccc2O)cc1 25577682 QFYPFYUAEGVVAS-NZQKXSOJSA-N 475.759 6.603 10 50 JKCA CCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCCC)cc2)SC1=S 33352697 YIBZZXNBBINYCP-HAVVHWLPSA-N 477.655 6.329 10 50 JKCA COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OC(=O)c1ccccc1F 16267639 OAAAAYTXWNVEPQ-NDENLUEZSA-N 469.515 5.048 10 50 JKCA O=C1/C(=C/C=C(\Br)c2ccccc2)SC(=S)N1c1ccc(Cl)cc1Cl 22309548 AVIMSMUPZJXGRU-XKLOSRGDSA-N 471.228 6.678 10 50 JKCA COc1cccc(C(=O)Oc2ccc(N=Nc3ccc(OC(=O)c4cccc(OC)c4)cc3)cc2)c1 254568792 JKXCDCSOARAOME-UHFFFAOYSA-N 482.492 6.558 10 50 JKCA Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C3CCCC3)C2=O)cc1F 2533116 DJXLLGIJICFZDO-HMAPJEAMSA-N 463.603 6.131 10 50 JKCA Nc1ccc(Oc2cc(N)ccc2OCCCCCCOc2ccc(-c3ccccc3)cc2)cc1 3878372 NJPXTDOSTQWSMK-UHFFFAOYSA-N 468.597 7.329 10 50 JKCA CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc(Br)cc4)c3C)C2=O)cc1 9477796 GOVXIHXYCYKROP-HMAPJEAMSA-N 492.373 5.085 10 50 JKCA Cc1ccccc1-c1cc2c(c(O[C@@H]3CCOC3)c1)OCCN(Cc1cc(Cl)ccc1O)C2 12281359 KOLZXFMFWYHYOL-HSZRJFAPSA-N 465.977 5.583 10 50 JKCA Oc1c(Cl)cc(Cl)cc1[C@H]1Oc2c(Cl)cc(Cl)cc2[C@H]2CC(c3ccccc3)=NN21 25558581 HLWNFZUSCCQXTE-DENIHFKCSA-N 480.178 7.248 10 50 JKCA C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)SC1=S 33579788 TUQRIEFECMVKHI-MRSJDWDVSA-N 485.609 6.641 10 50 JKCA COc1ccc(C2=NN3[C@H](c4cc(Cl)cc(Cl)c4O)Oc4ccccc4[C@H]3C2)cc1OC 248125576 FRURLUHNWYGLDT-DVECYGJZSA-N 471.340 5.959 10 50 JKCA Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1 2216193 BDIMGUNCPDVQHP-WOJGMQOQSA-N 465.427 5.922 10 50 JKCA CCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)SC1=S 2672569 LLXVPIPDNRJBCD-ZHZULCJRSA-N 464.572 5.449 10 50 JKCA CN1C(=O)/C(=C\c2cn(Cc3ccc(Cl)cc3Cl)nc2-c2ccccc2)SC1=S 8749228 YPGNPHWDROPJNO-GIJQJNRQSA-N 460.411 5.736 10 50 JKCA O=C1/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C(C(F)(F)F)=NN1c1ccc(Cl)cc1 13899525 VFXBDTUFVDJTPL-BOPFTXTBSA-N 451.231 6.602 10 50 JKCA O=C(Oc1cccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c1)c1ccc(Cl)cc1 22497100 INVSCZVQVJRWOT-UNOMPAQXSA-N 455.944 5.554 10 50 JKCA Cc1cc(/C=C2/C(=O)N(c3cccc(Cl)c3)C(=S)N=C2O)c(C)n1-c1ccc(F)cc1 653707 OSEZWXSLBJGJLR-RGVLZGJSSA-N 453.926 5.558 10 50 JKCA N=C1/C(=C/c2cccc(OCc3ccccc3)c2)C(=O)N=C2SC(c3ccccc3Cl)=NN12 4642200 WTVBVPLWKHYUNA-ZEOXQOHMSA-N 472.957 5.586 10 50 JKCA O=C1/C(=C\c2cc([N+](=O)[O-])cc(Br)c2O)SC(=S)N1c1cccc(Cl)c1 16398893 VZGQVPZIMGNTHX-WLRTZDKTSA-N 471.741 5.122 10 50 JKCA COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1F 1135773 APNBLAGDHUDPNB-XKZIYDEJSA-N 491.569 5.681 10 50 JKCA Cc1cc(C)c(NC(=O)CCCN2C(=O)/C(=C/c3ccccc3Cl)SC2=S)c(C)c1 1180938 DKSFSPHQEDAWGR-UYRXBGFRSA-N 459.036 5.885 10 50 JKCA CCN(Cc1ccccc1)Cc1c(O)ccc2c(=O)c(-c3ccccc3OC)c(C(F)(F)F)oc12 1913295 HVSORPOVHSOBFS-UHFFFAOYSA-N 483.486 6.215 10 50 JKCA CC[C@@H](C)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2c(C)cc(C)cc2C)SC1=S 2195663 IEUPTAVCTLOQNB-HBEGMLAUSA-N 461.656 6.464 10 50 JKCA CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)c(C)c2)SC1=S 2198428 JTMCEVJIFCUGIB-JLPGSUDCSA-N 491.682 6.494 10 50 JKCA Cc1ccc(C)c(N2C(=O)N=C(O)/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)c1 2970607 KNOFLZTWECXKSI-HYARGMPZSA-N 471.469 5.297 10 50 JKCA O=S(=O)(Nc1ccccc1Nc1c2ccccc2nc2ccccc12)c1ccc(Cl)cc1 3877022 RRKPGRDLRKDVDH-UHFFFAOYSA-N 459.958 6.586 10 50 JKCA CC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cc(Br)ccc1OCC(=O)O 13914946 QKNOXQBHHBFRFU-AUWJEWJLSA-N 484.133 5.025 10 50 JKCA O=C1/C(=C2/C(=O)N(Cc3ccccc3Cl)c3ccccc32)SC(=S)N1CCc1ccccc1 16713551 GUDJNKVLGRVIMY-FCQUAONHSA-N 491.037 5.701 10 50 JKCA COC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccccc4)c(OC)c3)SC2=S)cc1 1910336 ZABMQKGOAKPUOZ-HAHDFKILSA-N 491.590 5.467 10 50 JKCA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@H](C)CC)C2=O)cc1F 2533079 IMUGZFHXBDLTMU-XMSCMFJESA-N 495.645 6.467 10 50 JKCA COc1cccc(OCCn2cc(/C=C3/C(=N)N4N=C(C(C)C)SC4=NC3=O)c3ccccc32)c1 12382049 RKZAHBTXRSFEOE-NFLXFJMZSA-N 487.585 5.004 10 50 JKCA COc1cc(/C=C2\SC(=S)NC2=O)cc(Br)c1OCCOc1ccc(C)cc1C 13940363 JILQGZJKBHRBLN-WQRHYEAKSA-N 494.432 5.021 10 50 JKCA COc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)ccc1OC(=O)c1ccccc1C 33352188 LIGRIYQUZUARMG-PXLXIMEGSA-N 467.612 5.757 10 50 JKCA O=C1N=C(O)/C(=C\c2ccc(OCc3ccccc3Cl)c(Cl)c2)C(=O)N1c1ccc(O)cc1 1175979 INKBYUGUWKEXJF-WOJGMQOQSA-N 483.307 5.785 10 50 JKCA O=C1/C(=C/c2ccc(OS(=O)(=O)c3ccccc3)cc2)SC(=S)N1c1cccc(Cl)c1 3003325 XJSWBPFNLWQQIZ-MOSHPQCFSA-N 488.011 5.514 10 50 JKCA CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCc1cccc(C(=O)O)c1 16156088 LKTHICHZPUEANR-XKZIYDEJSA-N 490.943 5.822 10 50 JKCA CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCCOc1ccc(Cl)c(C)c1 22228977 OHGAQEFYULQMNJ-MOSHPQCFSA-N 464.008 5.336 10 50 JKCA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C(C)C)C2=O)cc1F 2508715 YOTSISYMSROXNV-HMAPJEAMSA-N 481.618 6.077 10 50 JKCA CS(=O)(=O)Oc1ccc(Cl)cc1/C=C1\SC(=S)N(c2ccc(Cl)cc2Cl)C1=O 16192913 QYISJZXYFPZATM-CHHVJCJISA-N 494.830 5.391 10 50 JKCA COc1ccc2sc(N[C@H](c3ccc(OC(F)F)cc3)c3ccc4cccnc4c3O)nc2c1 521836555 YSGBFDHVEQJPPX-OAQYLSRUSA-N 479.508 6.362 10 50 JKCA CCOc1cc(/C=C2\SC(=S)N(CCCc3ccccc3)C2=O)c(Br)cc1O 2813581 GCCIWBXRNRIIKI-UNOMPAQXSA-N 478.433 5.387 10 50 JKCA COc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)c(OC)c3)SC2=S)cc1 6645230 LYNNKQPWLGPJLJ-OEAKJJBVSA-N 481.570 5.828 10 50 JKCA CCOc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccccc3C(F)(F)F)C2=O)cc1 1180152 AQRIIWROBDIYQD-AQTBWJFISA-N 480.533 5.334 10 50 JKCA O=C1N=C(O)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)N1c1ccc(O)cc1 1182332 DULIHBYTPQLNJI-RGVLZGJSSA-N 483.307 5.785 10 50 JKCA COc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCCOc1cccc(C)c1 16192762 SZYKIKLZJAAYOW-JLPGSUDCSA-N 495.597 6.006 10 50 JKCA Oc1ccc(Br)cc1-c1nc2ccccc2nc1-c1cc(Br)ccc1O 25694338 XHUMHUHQRWBOEY-UHFFFAOYSA-N 472.136 5.900 10 50 JKCA Cc1ccc(COc2ccccc2/C=C2/SC(=S)N([C@@H](C(=O)O)c3ccccc3)C2=O)cc1 32694354 SDOXFSBAELIPCT-VKIDYWOHSA-N 475.591 5.601 10 50 JKCA CCCCC1=NN2C(=N)/C(=C/c3ccc(OC(=O)c4cccs4)c(OCC)c3)C(=O)N=C2S1 16247415 YOIYHOQRKJVLKQ-SNMDACFJSA-N 482.587 5.175 10 50 JKCA CCOc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)ccc1OC(=O)c1ccco1 16267649 ACMIOXYLDJPLIP-NDENLUEZSA-N 469.515 5.442 10 50 JKCA CCCOc1ccccc1/C=C1\SC(=S)N(CN2CCN(c3cccc(Cl)c3)CC2)C1=O 15799684 RBUULLDFLZCFTM-JCMHNJIXSA-N 488.078 5.110 10 50 JKCA CCOc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)ccc1OC(=O)c1cccs1 2989000 HVYZPORDPIFJLQ-XSFVSMFZSA-N 473.641 5.900 10 50 JKCA CCN1C(=O)/C(=C\c2cn(CCOc3ccc(Br)cc3)c3ccccc23)SC1=S 6353573 YOUAHLIYQYWCKT-DEDYPNTBSA-N 487.444 5.704 10 50 JKCA CC1=NN(c2nc(-c3ccc(Br)cc3)cs2)C(=O)[C@H]1/N=N/c1ccc(C(=O)O)cc1 8396530 VOSICHZKEKCCAP-LRDZBDLTSA-N 484.335 5.146 10 50 JKCA CC(=O)[C@@H]1[C@H](c2ccccc2F)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccc(C)cc3N12 248382743 XYKKAQNIGLYBJI-UODIDJSMSA-N 451.497 5.157 10 50 JKCA O=C(O)c1cc(-c2ccc(/C=C3\SC(=O)N(Cc4ccc(F)cc4)C3=O)o2)ccc1Cl 2810460 LRYWBXWQVDGJMW-GRSHGNNSSA-N 457.866 5.674 10 50 JKCA COc1ccc(/C=C2/C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C(=O)N=C2O)cc1 2979837 ZWTYNKPGVYDPOQ-KGENOOAVSA-N 462.889 5.434 10 50 JKCA COc1cccc(OCCOc2ccc(/C=C3\SC(=S)N(c4ccc(C)cc4)C3=O)cc2)c1 3003694 QFYDSUOOVJCIKS-JLPGSUDCSA-N 477.607 5.867 10 50 JKCA CCCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCC)C2=O)c2cc(Br)ccc21 16731827 LIKPZQLFAGPXBY-HNENSFHCSA-N 495.508 6.138 10 50 JKCA O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)SC(=S)N1C[C@@H]1CCCO1 33417263 QNMSYXXYXSPLFJ-DZSVRRGNSA-N 465.575 5.059 10 50 JKCA C[C@H]1C[C@H]2[C@@H](c3ccccc3)c3ccc(O)c(O)c3O[C@]23NC(=S)N[C@@H](c2ccccc2)[C@H]3C1 248339277 SPOYDIYBWAWZLV-UHQSHJNVSA-N 472.610 5.200 10 50 JKCA Cc1cc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC(C)C)C2=O)ccc1OC(C)C 2309281 WUAGPIIMRSPBFZ-OYKKKHCWSA-N 491.682 6.492 10 50 JKCA CCCC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 15011074 LRLFETBRZNBLKO-JCMHNJIXSA-N 475.932 6.414 10 50 JKCA N=C1/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N=C2SN=C(SCc3ccccc3)N12 31944894 JJZDFSNMYHZUBK-FZAWDKCWSA-N 489.538 5.365 10 50 JKCA COc1c(Cl)cc(Cl)cc1[C@@H]1N=NC(C2C(=O)c3ccccc3C2=O)=C[C@H]1c1ccccc1 136949441 IOTIIRMKYFXSFM-FDDCHVKYSA-N 477.347 6.872 10 50 JKCA O=C(c1ccc(F)cc1)c1cc(Cl)ccc1NS(=O)(=O)c1cnn(C2CCCCC2)c1 1875316987 KOULPCZZMPGRAX-UHFFFAOYSA-N 461.946 5.213 10 50 JKCA CCOc1cccc(N2C(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C(O)=NC2=S)c1 1203604 HXDDBSBIXIVUEG-LDADJPATSA-N 497.916 5.579 10 50 JKCA COc1ccccc1NC[C@H](O)Cn1c(-c2ccccc2)c(-c2ccccc2)c2cc(C)cc(C)c21 1894947 DJNDTFZJXVFFJI-SANMLTNESA-N 476.620 7.074 10 50 JKCA Cc1cccc(Oc2c(C(F)(F)F)oc3c(CN4C[C@@H](C)O[C@H](C)C4)c(O)ccc3c2=O)c1 19791549 XZUWPKSJPCCULQ-HUUCEWRRSA-N 463.452 5.227 10 50 JKCA biogenic CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=N)N4N=C(c5ccccc5C)SC4=NC3=O)o2)cc1 22241606 CWXRFNWFPUNJDN-ZEOXQOHMSA-N 484.537 5.099 10 50 JKCA Cc1[nH]c2ccc(Br)cc2c1/C=C1\C(=O)N(Cc2ccc(F)cc2)C(=S)N=C1O 34234492 JPFVEWJRGGJLEK-MFOYZWKCSA-N 472.339 5.045 10 50 JKCA O=C1c2ccccc2C(=O)c2c(OC(=O)[C@@H]3[C@H]4CCCC[C@H]43)ccc(OC(=O)C3[C@H]4CCCC[C@H]34)c21 239302924 FUPVOQPJVDTFCY-MNAFTKGFSA-N 484.548 5.145 10 50 JKCA Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 1104055 CETQKJSQFLBKAB-WOJGMQOQSA-N 470.381 5.232 10 50 JKCA CCCCCN1C(=O)/C(=C2/C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)SC1=S 2672166 UGHXSFONJRWMFP-VXPUYCOJSA-N 457.020 5.648 10 50 JKCA Cc1c(N2C(=O)/C(=C\c3cccc4ccccc34)SC2=S)c(=O)n(-c2ccccc2)n1C 8670182 HMDLKJPYWBLNIT-RCCKNPSSSA-N 457.580 5.043 10 50 JKCA CCN(CC)c1ccc(/C=C/C2=NN(c3ccccc3)[C@H](c3ccc(N(CC)CC)cc3)C2)cc1 22007887 BZKRKPGZABEOSM-JXYCVHPFSA-N 466.673 7.400 10 50 JKCA CN1C(=O)/C(=C/c2ccc(OCCOc3cccc(C(F)(F)F)c3)c(Cl)c2)SC1=S 2823234 DNJCDFMGFGIQKL-YVLHZVERSA-N 473.925 5.648 10 50 JKCA COc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(OC)c1OC 1210232 SSZZWOJDMOYQTP-SXGWCWSVSA-N 455.479 5.137 10 50 JKCA CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)cc2)SC1=S 2288142 RGPANFDAXMBECR-KQWNVCNZSA-N 477.655 6.185 10 50 JKCA c1ccc(Cn2c(/N=N/c3c(Nc4ccccc4)ccc4ccccc34)nc3ccccc32)cc1 100478634 DAEPSCKFIWDJAQ-JEIPZWNWSA-N 453.549 8.397 10 50 JKCA CCOc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C(O)=NC2=S)cc1 2878775 XGYKBAHBDGMRIF-LDADJPATSA-N 497.916 5.579 10 50 JKCA CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)cc(Br)c1OCc1ccc(C)cc1 13894634 RBFRSWPEWCHSAA-XDHOZWIPSA-N 492.460 5.956 10 50 JKCA CCN1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2)SC1=S 15856127 QMOCJUBYKUQAGZ-LICLKQGHSA-N 468.825 5.903 10 50 JKCA O=C1[C@@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C(=O)N1c1ccc(-c2ccccc2)cc1 169619601 NBVUTOWQEBFCTK-OYUWMTPXSA-N 499.522 5.049 10 50 JKCA COc1ccccc1[C@H](CCN(Cc1ccc(N(C)C)cc1)C(C)=O)[C@H]1CCOC(C)(C)C1 9968614 WWIWRKVMHGAVAS-UKILVPOCSA-N 452.639 5.489 10 50 JKCA COCCN1C(=O)/C(=C\c2ccc(OC(=O)[C@H]3[C@H](C=C(Cl)Cl)C3(C)C)cc2)SC1=S 15684844 UAYHGPVQAURMGO-FPZAFUISSA-N 486.442 5.031 10 50 JKCA COC(=O)c1c(NC(=O)C[C@H]2Sc3ccccc3NC2=O)sc2c1CC[C@H](C(C)(C)C)C2 949697 BQLOSQRTOJZFOO-SCLBCKFNSA-N 472.632 5.127 10 50 JKCA Cc1ccc(/C=C2\C(=O)N(c3nc(-c4ccc(Br)cc4)cs3)N=C2c2ccccc2)o1 4180123 PJXKCKQXSDUQIJ-MOSHPQCFSA-N 490.382 6.309 10 50 JKCA Oc1ccc(Cl)cc1[C@@H]1Oc2ccc(Br)cc2[C@H]2CC(c3cccs3)=NN12 13616710 KQPJDMCPQOMDIQ-UZLBHIALSA-N 461.768 6.112 10 50 JKCA CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)ccc1OCCOCCOc1cccc(C)c1 22184993 WNPXSZZOTTUGII-HAVVHWLPSA-N 487.643 5.089 10 50 JKCA COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cc(Br)ccc2O)cc1 25577649 UIYHQXLOTCBVOF-NZQKXSOJSA-N 485.765 6.059 10 50 JKCA O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)SC(=S)N1C1CCCCC1 25581222 BWCSRIKDMRDVRY-PXLXIMEGSA-N 463.603 6.212 10 50 JKCA CC[C@H](C)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c([N+](=O)[O-])c2)SC1=S 1817509 PSNIEYDQVSLOHG-MNAFEPAFSA-N 494.598 5.456 10 50 JKCA CCN1C(=O)/C(=C/c2cc(Cl)cc(Cl)c2OCCOc2ccccc2C)SC1=S 2977610 DBYNKCPJKGSHGX-WQRHYEAKSA-N 468.427 5.981 10 50 JKCA N=C1/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)C(=O)N=C2SC(c3ccccc3)=NN12 7018002 SGTPSFNTSQMKRI-CVQSDPGXSA-N 456.502 5.072 10 50 JKCA COc1ccc(O)c(CN2CCC([C@H](Cc3ccccc3F)N(C)C(=O)c3ccsc3)CC2)c1 14994978 RRFNPZLFKFJLRK-VWLOTQADSA-N 482.621 5.197 10 50 JKCA CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(-c2cccc(C(=O)O)c2)o1 100148207 VPWZVMHBBIJQRR-XDHOZWIPSA-N 451.276 5.213 10 50 JKCA O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC(=S)N1C[C@H]1CCCO1 2533132 ZDBCUDWVRHAXEZ-TUNPGAEXSA-N 482.030 5.573 10 50 JKCA COc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccccc2O)cc1 25577618 QTJLUVSQPXYBGQ-NZQKXSOJSA-N 451.320 5.406 10 50 JKCA Cc1cc(/C=C2/C(=O)N(Cc3ccc(F)cc3)C(=S)N=C2O)c(C)n1-c1ccc(Cl)cc1 33604077 VRZMDKJBKDVMHZ-CIAFOILYSA-N 467.953 5.554 10 50 JKCA CCOC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@H]1CN3[C@@H](c1ccc(Br)cc1)[C@H]1CC=C[C@@H]21 239425709 VAYWOFYVTSXXCF-PDLBJYQGSA-N 476.414 6.520 10 50 JKCA COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)N(c3ccc(Cl)cc3)C(=S)N=C2O)o1 1207110 UGKWIQJWLAWJJE-GZTJUZNOSA-N 483.889 5.188 10 50 JKCA CC[C@@H](C)c1ccccc1OCCCOc1c(Cl)cc(/C=C2/SC(=S)NC2=O)cc1OC 22257648 YIYDETZEWVZVAR-HFITWMCCSA-N 492.062 6.199 10 50 JKCA O=C1/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(O)=NC(=S)N1c1cccc(Br)c1 13810013 VDIUBQKNWNBVBW-BOPFTXTBSA-N 498.314 5.289 10 50 JKCA COc1ccc(C2=NN3[C@H](c4cc(Cl)ccc4O)Oc4c(Cl)cc(Cl)cc4[C@H]3C2)cc1 248252426 QFYPFYUAEGVVAS-OFNKIYASSA-N 475.759 6.603 10 50 JKCA O=C(CCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)NC12CC3CC(CC(C3)C1)C2 8765941 ROJQEKAKWKLDLM-JAIQZWGSSA-N 475.079 5.406 10 50 JKCA CCN(CC)c1ccc(/C=C2\C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)cc1 2908673 LJZQKXHKOARZCI-LGUFXXKBSA-N 483.637 5.898 10 50 JKCA CCN(CC)c1ccc2nc3ccc(/N=N/c4ccc(N(C)C)cc4)cc3[n+](-c3ccccc3)c2c1 3861471 TYOFQDFFFPHHNT-UHFFFAOYSA-N 475.620 6.992 10 50 JKCA in-vitro O=c1cc2oc3cc(O)c(O)cc3c(-c3ccc(OCc4ccccc4Cl)cc3)c-2cc1O 101707808 ZGSFACZQHQGFID-UHFFFAOYSA-N 460.869 5.914 10 50 JKCA C[C@@H](CCc1ccccc1)NC(=O)CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O 888104781 MFXGWDJIIWVTMM-NRFANRHFSA-N 490.607 5.102 10 50 JKCA COc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)C(O)=NC2=S)cc1 1254849 JYXUXLVTWMVBFQ-HZHRSRAPSA-N 467.550 5.370 10 50 JKCA CCOc1cc(/C=C2/SC(=S)NC2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl 2962202 JNDZVQMHWURXJH-FRKPEAEDSA-N 474.818 6.113 10 50 JKCA CCOc1ccc(/C=C2/C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)N=C2O)cc1OC 15768630 CTSDWYUWGCNPSK-MDWZMJQESA-N 468.815 5.273 10 50 JKCA COc1ccc2c(c1)S[C@H](c1ccc3c(c1)OCO3)CCN2Cc1cccn1-c1cccnc1 12155003 XGKVYQOPEBANTG-SANMLTNESA-N 471.582 5.853 10 50 JKCA CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)NCc4ccc(Cl)cc4)c4ccccc34)[C@H]21 1775972007 RVXIGPPHZJDKBG-NDEPHWFRSA-N 499.014 5.148 10 50 JKCA O=C(O)c1cccc(-c2ccc(/C=C3\C(=O)N(c4ccc(Cl)cc4)N=C3C(F)(F)F)o2)c1 2989518 HUGCSJYTNBXBCP-BOPFTXTBSA-N 460.795 5.647 10 50 JKCA Cc1ccc(C2=NN3C(=N)/C(=C/c4ccc(OCCOc5ccccc5)cc4)C(=O)N=C3S2)cc1 3858719 VDFVYFOOJHJLPI-ZSEUTSBQSA-N 482.565 5.120 10 50 JKCA COc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)ccc1OCCSc1ccccc1 16193208 MFRQLRQHIQQWTA-KQWNVCNZSA-N 497.638 6.411 10 50 JKCA COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 16266823 AKCWTGIPLFECFC-HAHDFKILSA-N 490.606 5.427 10 50 JKCA CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\Nc1nnc(-c2ccc(Cl)cc2Cl)s1 101350277 KCEMWZYPDYJHIO-YVLHZVERSA-N 458.374 5.847 10 50 JKCA O=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)SC(=S)N1Cc1ccc(F)cc1 2986560 HAFPCHMANZTFKP-XKZIYDEJSA-N 469.990 6.460 10 50 JKCA Cc1ccc(-c2cc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c3ccccc3n2)s1 8432650 UPPLPNCRRSLCSQ-UHFFFAOYSA-N 474.541 6.299 10 50 JKCA O=C1N=C(O)/C(=C\c2ccccc2OCc2ccccc2Cl)C(=O)N1c1cccc([N+](=O)[O-])c1 15836324 FYHVKHHVRVXFDH-XDHOZWIPSA-N 477.860 5.334 10 50 JKCA Clc1cc(Nc2c3ccccc3nc3ccccc23)ccc1Oc1ccc2ccccc2c1Cl 16675683 AZRSGTFBMMJIRE-UHFFFAOYSA-N 481.382 9.384 10 50 JKCA CCOc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccccc3Br)C2=O)cc1 1180257 RRRAKZFLTNNDTL-AQTBWJFISA-N 491.432 5.078 10 50 JKCA CCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)c(C)c2)SC1=S 2373777 OZYZUYBXZCEWHP-IWIPYMOSSA-N 491.682 6.494 10 50 JKCA O=C(CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1ccc(Cl)cc1Cl 2831831 SPYLWNHCLPOHEL-YVLHZVERSA-N 485.845 6.267 10 50 JKCA CCn1cc(CN2CC[C@@H](c3cc4c(cc3Cl)OCO4)Sc3cc(OC)ccc32)c(C)n1 14995188 KWAMUKISSRLDHT-QHCPKHFHSA-N 472.010 5.846 10 50 JKCA O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1cccc(C(F)(F)F)c1 1182104 QBVZIEHMPONAPD-MHWRWJLKSA-N 470.925 5.589 10 50 JKCA O=C1/C(=C/c2ccc(Br)cc2)SC(=S)N1c1cccc(Br)c1 1736922 NWEPIUDZRQAACK-ZSOIEALJSA-N 455.196 5.617 10 50 JKCA COc1ccc([C@H](CCN(Cc2ccc(N(C)C)cc2)C(C)=O)[C@@H]2CCOC(C)(C)C2)cc1 892500 XDQPEGIICKELSP-SQHAQQRYSA-N 452.639 5.489 10 50 JKCA biogenic O=S(=O)(Nc1ccc(O)c(Sc2nc3ccccc3s2)c1)c1cccc2ccccc12 950309 IPPOOQHKZOXIIR-UHFFFAOYSA-N 464.593 6.107 10 50 JKCA COc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2 1461944 ZVWNMHXVFZPFQG-GAKIBJFNSA-N 466.990 5.976 10 50 JKCA CCN(CC)c1ccc(/C=C2/C(=O)N(c3nc(-c4ccc5ccccc5c4)cs3)N=C2C)cc1 4046921 WCVGGLPOZVXKRK-PCLIKHOPSA-N 466.610 6.616 10 50 JKCA CCN1C(=O)/C(=C/c2ccc(OC)c(COc3ccc(Cl)cc3Br)c2)SC1=S 2112575 BROUCUGNSKEPNS-NVMNQCDNSA-N 498.851 5.911 10 50 JKCA Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H](c3ccccc3)C23C(=O)c2ccccc2C3=O)cc1 1228910 BASIJZFSHJMCTA-HVNZXBJASA-N 498.534 5.734 10 50 JKCA Cc1ccc(-c2cc3c(c(OC[C@H]4CCCN(C)C4)c2)OCCN(Cc2ccccc2O)C3)s1 14878917 UMIADNUDFXYLEQ-NRFANRHFSA-N 478.658 5.544 10 50 JKCA Oc1c(Cl)cc(Cl)cc1[C@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3cccs3)=NN21 25559526 OZLCZIAAFKXVTM-OXQOHEQNSA-N 451.762 6.656 10 50 JKCA Oc1ccc(Cl)cc1[C@@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc4ccccc4c3)=NN21 25577237 JJBMMVFNUIDPEW-OZXSUGGESA-N 461.348 7.095 10 50 JKCA O=C(C(=O)c1ccc(Oc2ccc(S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1)c1ccccc1 1811675 YOOCZPWQCZWZDC-UHFFFAOYSA-N 476.937 6.031 10 50 JKCA Cc1ccc(Nc2ccc(Nc3ccc(C)cc3[N+](=O)[O-])c3c2C(=O)c2ccccc2C3=O)cc1 3879186 FOJRXCMHRCTSDY-UHFFFAOYSA-N 463.493 6.474 10 50 JKCA CCN1C(c2ccccc2)=C(c2ccccc2)S/C1=C/C=C1/SC(=S)N(c2ccccc2)C1=O 13302016 KOMZLILATJIPPD-KBQFLUNPSA-N 498.698 7.371 10 50 JKCA CC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cccc(I)c1 100488533 RVAFSHGCRRCJED-RIYZIHGNSA-N 457.098 5.404 10 50 JKCA COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 2904644 JRAGRHMEDBXQRX-KGENOOAVSA-N 492.534 5.228 10 50 JKCA CCc1cc2c(=O)c(-c3cnn(-c4ccccc4)c3)coc2c(CN2CCCC[C@H]2CC)c1O 2996676 POLNWZAMALLAES-OAQYLSRUSA-N 457.574 5.678 10 50 JKCA COc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)ccc1OC(=O)c1ccco1 16267554 PENXQMPFACOOES-ODLFYWEKSA-N 455.488 5.052 10 50 JKCA Cc1ccc(C)c(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCc3ccccc3)C2=O)c1 33351039 VNUXKDACDFDSMN-NLRVBDNBSA-N 495.673 6.600 10 50 JKCA O=C1N=C(O)/C(=C\c2ccc(O)c([N+](=O)[O-])c2)C(=O)N1c1ccc(OCc2ccc(Cl)cc2)cc1 16156488 KJJHBNFJRYTOKH-YBFXNURJSA-N 493.859 5.040 10 50 JKCA Cc1cccc(N2C(=O)N=C(O)/C(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)c1C 1182313 ZFVCSRGGEVLYKF-KGENOOAVSA-N 471.469 5.297 10 50 JKCA CCN1C(=O)/C(=C/c2ccc(OC)c(COc3ccc(Br)cc3Cl)c2)SC1=S 2112966 MBWODCHDIMBZQZ-NVMNQCDNSA-N 498.851 5.911 10 50 JKCA O=C1/C(=C/c2ccc(OCc3ccccc3F)c(Cl)c2)SC(=S)N1Cc1cccnc1 6457166 HNHIYJGEVXHQLF-NHDPSOOVSA-N 470.978 5.855 10 50 JKCA CCOc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCCCOc1cc(C)ccc1C(C)C 15857143 AFKKOCWGVMNXCB-LFVJCYFKSA-N 485.671 6.196 10 50 JKCA Cc1ccccc1COc1ccc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)cc1Cl 16225320 PKFKLKDSEGENLX-PRMFFDCZSA-N 478.883 5.409 10 50 JKCA CCOc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1OCc1ccccc1 220977652 MDACKCCWXHJWLE-OOAXWGSJSA-N 474.560 6.499 10 50 JKCA CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCOC)C2=O)cc1C 2309353 PYNOVTKLQMKGLD-JCMHNJIXSA-N 479.627 5.094 10 50 JKCA COc1ccc(N2C(=O)/C(=C\c3cn(Cc4ccccc4F)c4ccccc34)SC2=S)cc1 6181684 VPVFXJOYXMOFPW-ZVHZXABRSA-N 474.582 6.243 10 50 JKCA CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCOC)C2=O)cc1 8913979 RDTOISJSIZBSHU-QJOMJCCJSA-N 493.654 5.566 10 50 JKCA O=C(O)CCc1ccc(-c2ccc(Cl)cc2)n1CC(=O)Nc1cccc(C(F)(F)F)c1 9094825 FVNYBCYJLRJWKI-UHFFFAOYSA-N 450.844 5.483 10 50 JKCA CCCC[C@@H](CC)CN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)SC1=S 12614405 UUPYQEAUWSMSDV-GXDFBKAQSA-N 493.673 7.096 10 50 JKCA COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)o1 13546288 GVBCTNICICTMRM-UDWIEESQSA-N 452.513 5.578 10 50 JKCA CC[C@@H](C)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(C)c(F)c2)SC1=S 16729812 XCHFBAMMPCUAPP-RDPIHGLISA-N 451.592 5.987 10 50 JKCA O=C1/C(=C/c2cccc(OCCCOc3ccccc3)c2)SC(=S)N1Cc1ccco1 22497140 HORAAURPPLGLOQ-JWGURIENSA-N 451.569 5.529 10 50 JKCA COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OC(=O)c1cccc(C)c1 2074834 VAYWWTCEQJPWNX-PXLXIMEGSA-N 461.564 5.629 10 50 JKCA COc1cccc(/C=C2/SC(=S)N(C)C2=O)c1OCCCOc1cc(C)ccc1C(C)C 2882597 ILDIUXMHSCUSGO-PXLXIMEGSA-N 471.644 5.806 10 50 JKCA CN1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2)SC1=S 9296470 OKYXKOROFGUDNW-CXUHLZMHSA-N 454.798 5.513 10 50 JKCA N=C1/C(=C/c2cccc(OCc3cccc4ccccc34)c2)C(=O)N=C2SC(C(F)(F)F)=NN12 22239129 WYQOQLKUAHTHMS-WKLXBDMHSA-N 480.471 5.600 10 50 JKCA O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)SC(=S)N1CCc1ccccc1 19912621 AASGHURDYHCZOX-JJIBRWJFSA-N 485.609 6.122 10 50 JKCA O=C(Oc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2)c1ccc(Cl)cc1Cl 101893322 SASCEZBLHNCZMR-IMWIBFENSA-N 481.335 6.947 10 50 JKCA O=C1N=C(N2CCCCC2)S/C1=C/c1ccc(-c2ncc(C(F)(F)F)cc2Cl)cc1 263640090 XHSUTPHLTORXDA-LICLKQGHSA-N 451.901 5.877 10 50 JKCA COc1cccc(C(=O)N[C@@H](c2ccc([N+](=O)[O-])cc2)c2cc(Cl)c3cccnc3c2O)c1 6427083 OSOUPEXCMPMVNV-NRFANRHFSA-N 463.877 5.030 10 50 JKCA CC(/C=C1\Sc2ccc3ccoc3c2N1CCO)=C\c1sc2ccc3occc3c2[n+]1CCO 12342774 QACHZRSILHYWPX-UHFFFAOYSA-N 491.614 5.523 10 50 JKCA O=C(CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1cccc(Cl)c1Cl 8763421 LXOYZEDLLINTCA-FOWTUZBSSA-N 485.483 6.455 10 50 JKCA O=C(O)c1ccc(Cl)c(-c2ccc(/C=C3\C(=O)N(c4ccc(F)cc4)C(=S)N=C3O)o2)c1 15012800 SVNQTRAVBZYHNQ-YBEGLDIGSA-N 470.865 5.109 10 50 JKCA O=C1/C(=C2\SC(=S)N(C3CCCCC3)C2=O)c2ccccc2N1Cc1ccc(Cl)cc1 16700911 HCDNYKBGDAPSPK-MRCUWXFGSA-N 469.031 5.791 10 50 JKCA COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cc(Cl)cc(Cl)c2O)cc1 25577644 XPYHNJCMMCIDAV-NFBKMPQASA-N 475.759 6.603 10 50 JKCA COc1cc(/C=C2/C(=O)N(c3ccc(I)cc3)N=C2C)ccc1OCC(C)C 100930099 OUERSWJUJWALIT-YBFXNURJSA-N 490.341 5.141 10 50 JKCA O=C1/C(=C2\SC(=S)N(C3CCCCC3)C2=O)c2ccccc2N1Cc1ccccc1Cl 16700914 CABJBTSJMUNXGB-MRCUWXFGSA-N 469.031 5.791 10 50 JKCA COc1ccc(Oc2c(C(F)(F)F)oc3c(CN4CCC[C@@H](C)C4)c(O)ccc3c2=O)cc1 19793083 VVHVYMSZDXXETF-CQSZACIVSA-N 463.452 5.550 10 50 JKCA O=C(COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2)c1ccc(Cl)cc1 101406635 XPEPMBPPFRKPAJ-DRLORSAXSA-N 488.927 6.114 10 50 JKCA COc1cc(OC)c(/C=C2\SC(=S)N(CCCc3ccccc3)C2=O)cc1Br 2813848 BOXOFVCMNRPXMK-UNOMPAQXSA-N 478.433 5.300 10 50 JKCA CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC(C)C)C2=O)c(C)c1 13618327 HPJJWGKXVOZMKC-UCQKPKSFSA-N 477.655 6.104 10 50 JKCA O=C(O)[C@H](c1ccccc1)N1C(=O)/C(=C\c2cccc(OCc3ccc(Cl)cc3)c2)SC1=S 32694363 VWEOZURNEMTWJL-AMUNLKFJSA-N 496.009 5.946 10 50 JKCA O=C(O)[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)SC1=S 8763362 WZGLGUGTQWIPDE-TVNWYLLRSA-N 455.944 5.627 10 50 JKCA COc1ccc(O)c(CN2CCC[C@H](c3nc(-c4ccncc4)ncc3-c3ccccc3)C2)c1 14881810 ODYRJXNQBAWDLB-QFIPXVFZSA-N 452.558 5.299 10 50 JKCA CCOc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OC(=O)c1ccccc1Cl 16247135 ANNDUWOJKHULKN-JCMHNJIXSA-N 496.009 6.364 10 50 JKCA Cc1ccc(Cl)cc1N1C(=O)N=C(O)/C(=C\c2ccccc2OCC(=O)Nc2ccccc2)C1=O 1114052 XYIFEOCZMQTTDT-DEDYPNTBSA-N 489.915 5.173 10 50 JKCA COc1cc(Br)cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)c1O 16677401 KFOIDUDBUMXZTP-MKMNVTDBSA-N 456.770 5.223 10 50 JKCA CCOC(=O)c1c(NC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3CC[C@H]2O3)sc2c1CCCCCCCCCCC2 139092337 NVYIPSZLOYKJNT-RPHTVSPISA-N 491.650 5.351 10 50 JKCA Cc1ccc(N2C(=O)[C@H]3[C@@H](c4cc(Cl)cc(Cl)c4O)N(c4ccccc4)O[C@H]3C2=O)c(C)c1 230040355 CBAPORZLOWXHFY-QZNHQXDQSA-N 483.351 5.367 10 50 JKCA O=C1/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(O)=NC(=S)N1c1ccc(Cl)cc1 2287826 GMFGZEYLPFIQHC-GZTJUZNOSA-N 453.863 5.180 10 50 JKCA CCN1C(=O)/C(=C/c2cc(Br)ccc2OCCOc2c(C)cccc2C)SC1=S 2844169 BJNVUAMKZDALMA-UYRXBGFRSA-N 492.460 5.745 10 50 JKCA O=[N+]([O-])c1ccc(N2CCN(C(=S)c3ccc(-c4ccc(Cl)cc4Cl)o3)CC2)cc1 9235356 PESXNDBGWXRKRE-UHFFFAOYSA-N 462.358 5.659 10 50 JKCA CCOC(=O)c1c(C)sc(C(c2ccccc2Cl)c2sc(C)c(C(=O)OCC)c2O)c1O 12413791 PIHJGGYOUSOOEX-UHFFFAOYSA-N 495.018 6.025 10 50 JKCA CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCCOC)C2=O)cc1C 2216484 ALAYRWBJBARJTJ-KQWNVCNZSA-N 493.654 5.484 10 50 JKCA COc1ccccc1N1C(=O)/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)SC1=S 2834159 BJWHWTUDCIOMRA-HMAPJEAMSA-N 478.551 5.588 10 50 JKCA CCN1C(=O)/C(=C\c2cc(Br)c(OCc3ccccc3C)c(OC)c2)SC1=S 6470374 DUZMKLGIYQCRLQ-WOJGMQOQSA-N 478.433 5.566 10 50 JKCA CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)N(CC)Cc3ccccc3)C2=O)cc1 9330781 ZYLXMJKLXNKNPY-XLNRJJMWSA-N 452.645 5.279 10 50 JKCA COc1ccc2c(c1)S[C@@H](c1ccc(F)c(F)c1)CCN2Cc1cc(OC)c(O)c(OC)c1 14998778 LWFVDQGNCVBZKP-HSZRJFAPSA-N 473.541 5.940 10 50 JKCA Cc1ccc(CNC(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2ccc([N+](=O)[O-])cc2)N3)cc1C 169705533 DHHKXFZQQNWVNJ-ONBPZOJHSA-N 453.542 5.968 10 50 JKCA CCOc1ccc(N2CCN(C(=O)c3cc4c(C)nn(-c5ccc(Cl)cc5)c4s3)CC2)cc1 1776002970 OLQXMVDYIJWWOA-UHFFFAOYSA-N 481.021 5.410 10 50 JKCA Cc1ccc(Oc2ccc(N3C(=O)c4ccc(Oc5ccc(N)cc5)cc4C3=O)cc2)cc1C 754619 TVVZTBAYOKZCCJ-UHFFFAOYSA-N 450.494 6.271 10 50 JKCA COC(=O)c1c(C)sc(C(c2sc(C)c(C(=O)OC)c2O)c2cccc3ccccc23)c1O 12372141 TWYZEQRXDXZQSX-UHFFFAOYSA-N 482.579 5.744 10 50 JKCA Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)N(c4cc(C)cc(C)c4)C(=O)N=C3O)cc2)cc1 1153511 GJBHAEUAVZSQQT-BUVRLJJBSA-N 483.524 5.136 10 50 JKCA CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCC(=O)Nc1ccc(C)c(C)c1 8437493 HICWYLQIQASCBY-PCLIKHOPSA-N 483.568 5.526 10 50 JKCA COc1ccc(O)c(CN2CCC(n3c(-c4ccc(OC)c(OC)c4)nc4ccccc43)CC2)c1 12242061 ACRPHSVESQQUTI-UHFFFAOYSA-N 473.573 5.272 10 50 JKCA Cc1ccc(S(=O)(=O)Oc2ccc(C)cc2/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1 16212778 DXLPMUZFWQJYCS-JCMHNJIXSA-N 481.620 5.477 10 50 JKCA Cc1ccc(CN2C(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3ccccc3)SC2=S)cc1 2363569 XOBXMDPWALOLCR-JLPGSUDCSA-N 467.619 6.249 10 50 JKCA Cc1cc(C(=O)CSc2ncnc3sc4c(c23)CCC4)c(C)n1-c1cccc(C(F)(F)F)c1 3244099 VDPLMLXFGZAJPW-UHFFFAOYSA-N 487.572 6.581 10 50 JKCA O=C1/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)SC(=S)N1Cc1cccnc1 6456780 HRDWKXWJAZMYKT-NHDPSOOVSA-N 487.433 6.369 10 50 JKCA CCOC(=O)COc1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1OC 1150592 ZRUDULCZEYNOHY-VCHYOVAHSA-N 497.516 5.062 10 50 JKCA C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2c(NC3CCCCC3)nc3ccccn3c2=O)SC1=S 12383800 RTTKDIZNYMRUHI-QFGIDJEJSA-N 490.654 5.402 10 50 JKCA COc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccc(N(C)C)cc2)cc1 25578088 FNQRCMMDHDKNSY-ILBGXUMGSA-N 478.390 5.766 10 50 JKCA CCOc1cc(C=C2C(=O)N(c3ccc(C)cc3)C(=S)N(c3ccc(C)cc3)C2=O)ccc1OC 16677425 QSSXDEBCAVSUNZ-UHFFFAOYSA-N 486.593 5.459 10 50 JKCA COc1ccc(CCOc2ccc(-c3c4cn[nH]c4nc4c3oc3c(O)c(O)ccc34)cc2OC)cc1 217886421 LTDWHHAOTHPDBE-UHFFFAOYSA-N 497.507 5.574 10 50 JKCA biogenic COc1ccc(OC)c(/C=C2/SC(N3CCN(C(c4ccccc4)c4ccccc4)CC3)=NC2=O)c1 22242195 NKIPXJWEFVEOOG-LHLOQNFPSA-N 499.636 5.081 10 50 JKCA CN(C)c1ccc([C@@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccc(F)cc4)=NN23)cc1 25901741 CBBPAFBHSFFNGC-VWNXMTODSA-N 466.354 5.897 10 50 JKCA COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(Cc3ccco3)C2=O)cc1F 34261728 APNBLAGDHUDPNB-LPYMAVHISA-N 491.569 5.681 10 50 JKCA O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)SC(=S)N1Cc1ccccc1 2281392 XALGBALMECAJOX-HAHDFKILSA-N 471.582 6.080 10 50 JKCA COc1cccc(OCCOc2ccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)cc2)c1 2962396 RYTPQXWBLJVWLM-XQNSMLJCSA-N 463.580 5.559 10 50 JKCA COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCCOc1ccccc1 2998483 VOLPMAXJMOUBKY-HAVVHWLPSA-N 463.580 5.559 10 50 JKCA N=C1/C(=C/c2cccc(OCc3ccccc3Cl)c2)C(=O)N=C2SC(c3ccccc3)=NN12 7018040 SUZJKMFFBGWFPS-ZEOXQOHMSA-N 472.957 5.586 10 50 JKCA CCCCCCN1C(=O)/C(=C2\SC(=S)N([C@H](C)CC)C2=O)c2cc(Br)ccc21 16731821 XZXSFBHPABXAGL-XAGMJWQQSA-N 481.481 5.746 10 50 JKCA Cc1ccc(COc2cccc(/C=C3/C(=O)NC(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)c2)cc1 22276456 QSYBZLYERKJGJQ-NDENLUEZSA-N 481.335 5.547 10 50 JKCA O=C(CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1cc(Cl)cc(Cl)c1 2198894 FIBITVZWAFZCRD-IUXPMGMMSA-N 485.845 6.267 10 50 JKCA COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCCOc1ccccc1C 3461992 RGDVRKUPNVALID-UQQQWYQISA-N 491.634 6.176 10 50 JKCA CCN(CC)c1ccc(/C=C2/SC(=S)NC2=O)c(OCc2ccc(Cl)cc2Cl)c1 8451306 KJLYCDCPRYLSPG-DJKKODMXSA-N 467.443 5.907 10 50 JKCA Cc1ccccc1C1=NN2C(=N)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C(=O)N=C2S1 15837927 UQXWVZSAWVFEAY-MPZQNCSBSA-N 491.916 5.484 10 50 JKCA COc1ccccc1OCCCOc1ccccc1/C=C1\SC(=S)N(c2ccccc2C)C1=O 16193435 XHKDVHPLLSGKOV-BWAHOGKJSA-N 491.634 6.257 10 50 JKCA CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(Br)c1OC(=O)c1ccccc1 2823681 XVBLYIZADPJEEE-ATVHPVEESA-N 492.416 5.288 10 50 JKCA COc1cc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)ccc1OCc1ccccc1Cl 8494949 OGAZVKRNXGAABX-KRKDOYDSSA-N 482.993 5.593 10 50 JKCA Cc1cc(/C=C2\C(=N)N3N=C(Cc4cccs4)SC3=NC2=O)c(C)n1-c1ccc(Cl)cc1 9209396 CQOIOJFMWHNHHJ-NAAAPUFRSA-N 480.018 5.671 10 50 JKCA O=c1cc2oc3cc(O)c(O)cc3c(-c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c-2cc1O 16225937 VZZMPIHWMCYLLE-UHFFFAOYSA-N 471.421 5.169 10 50 JKCA CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1OCC(=O)Nc1cccc(C)c1 16246809 LUJNEUVJLSXTLB-HZHRSRAPSA-N 459.933 5.472 10 50 JKCA COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(O)c(CN4CCN(C)CC4)c3)c2c1 22451073 SUSDGTMJKOGWSZ-UHFFFAOYSA-N 462.981 5.247 10 50 JKCA in-vitro CCC(=C/c1sc2ccc(C(=O)OC)cc2[n+]1C)/C=C1/Sc2ccc(C(=O)OC)cc2N1C 685944745 USRINPRFUKESGD-UHFFFAOYSA-N 481.619 5.176 10 50 JKCA Cc1ccccc1N1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC1=S 1857666831 PITBVTMDQVDIBV-UHFFFAOYSA-N 456.932 6.222 10 50 JKCA CCOc1cc([C@@H](Nc2cc(C)ccn2)c2ccc3cccnc3c2O)cc(Cl)c1OCC 6387092 QLIQUSKEWKIJDK-HSZRJFAPSA-N 463.965 6.296 10 50 JKCA CCOC(=O)COc1c(Cl)cc(/C=C2\C(=O)N(c3cc(Cl)ccc3Cl)N=C2C)cc1OC 16266517 NIMQNLPNQLZBOH-CHHVJCJISA-N 497.762 5.403 10 50 JKCA CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C/c1cccc(OC(=O)c2cccs2)c1 100719483 HPKQVMDTCNUSQC-GZTJUZNOSA-N 466.902 5.125 10 50 JKCA Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(C)n(-c4ccccc4F)c3C)C2=O)cc1 1008108 GOELOWSHSIJDAF-XKZIYDEJSA-N 463.534 5.217 10 50 JKCA O=C1/C(=C/c2ccc(OCCOc3ccccc3)c(Cl)c2)SC(=S)N1Cc1ccccc1 2822208 NRTBBSVZXWNYMX-KQWNVCNZSA-N 482.026 6.199 10 50 JKCA CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)SC1=S 3005308 OTKRSSADWJZEFS-SXGWCWSVSA-N 458.819 6.447 10 50 JKCA CN(C)c1ccc(CN2CCC(c3nnc(SCc4cccnc4)n3Cc3ccccc3)CC2)cc1 11786172 DOAGDYILUFDRKM-UHFFFAOYSA-N 498.700 5.459 10 50 JKCA O=C1/C(=C\c2cccs2)SC(=S)N1CCC(=O)N1c2ccccc2Sc2ccccc21 26771432 IQDVEMUSZNXHKN-XSFVSMFZSA-N 480.661 6.169 10 50 JKCA CCOc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 22309519 NEVORSCTCADEAW-YVLHZVERSA-N 464.952 5.057 10 50 JKCA Cc1ccc(COc2cccc(/C=C3/SC(=S)N([C@@H](C(=O)O)c4ccccc4)C3=O)c2)cc1 32694360 PLERMQVKSNXUAH-VKIDYWOHSA-N 475.591 5.601 10 50 JKCA CCOC(=O)c1ccc(N2C(=O)/C(=C\c3cccc(Cl)c3Cl)C(C(=O)OC)=C2C)cc1 1163658 QLMDMAVCPQDCOT-ATVHPVEESA-N 460.313 5.047 10 50 JKCA Cc1ccc2cc(C3=C/C(=C/c4ccc(OCc5ccccc5Cl)cc4)C(=O)O3)ccc2c1 2927158 AGWGLMBVRKVXHO-MYYYXRDXSA-N 452.937 7.362 10 50 JKCA Cc1cccc(C2=NN3C(=N)/C(=C\c4ccc(OCc5ccccc5[N+](=O)[O-])cc4)C(=O)N=C3S2)c1 16212622 YZENKAYZZGHZIL-DVELLGFNSA-N 497.536 5.150 10 50 JKCA COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OS(=O)(=O)c1ccccc1 3003220 KMHUERQCIOBDKI-JCMHNJIXSA-N 497.619 5.177 10 50 JKCA O=C(c1ccccc1)c1cc(Cl)ccc1Nc1cc(-c2ccccc2)c2cc(Cl)ccc2n1 8990069 JFOPEZSACPHOQG-UHFFFAOYSA-N 469.371 8.183 10 50 JKCA CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cn(CCOc4ccccc4C)c4ccccc34)C2=O)cc1 9477401 BTYBCGQJGGIUQC-BWAHOGKJSA-N 493.563 5.258 10 50 JKCA O=C1/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(C(F)(F)F)=NN1c1ccccc1 15231372 WMCLIXHYLOVTPK-WJDWOHSUSA-N 461.783 5.857 10 50 JKCA COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1F 33626109 UEPGJBSHKYHUST-MEGCXXLRSA-N 495.601 5.067 10 50 JKCA CCCN1C(=O)c2ccccc2[C@H]1c1c([C@H]2c3ccccc3C(=O)N2CCC)n(C)c2ccccc12 334163093 LJFMFQXCRHDGMO-WUFINQPMSA-N 477.608 6.089 10 50 JKCA COc1ccc(-c2c(C(F)(F)F)oc3c(CN4CCC[C@@H](C)C4)c(O)ccc3c2=O)cc1OC 956149 GPNIZFSLSCLHTB-CQSZACIVSA-N 477.479 5.434 10 50 JKCA O=C1/C(=C/c2cc3c(cc2Cl)OCO3)C(O)=NC(=S)N1c1cccc(Cl)c1Cl 1105344 GLWLCBQMYPMONM-RUDMXATFSA-N 455.706 5.047 10 50 JKCA COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1Br 16193125 FDJBZGRDWYUTIU-CHHVJCJISA-N 475.216 6.170 10 50 JKCA COCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC1=S 19912608 SDGOXPPAPAAXJV-XSFVSMFZSA-N 470.019 5.430 10 50 JKCA CCN(CC)c1ccc(C=C2C(=O)N(c3ccccc3C)C(=O)N(c3ccccc3C)C2=O)cc1 3132950 SVPVCYHBFAVVHP-UHFFFAOYSA-N 467.569 5.733 10 50 JKCA CCOc1cc(/C=C2\SC(=S)N(CCOC)C2=O)cc(Cl)c1OCc1cccc(F)c1 15010753 UHCNYNRTJGXLOR-UNOMPAQXSA-N 481.998 5.304 10 50 JKCA CCOc1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)ccc1OCc1ccccc1Cl 32694344 XYTJJAMSVMNLEK-DEDYPNTBSA-N 492.018 5.384 10 50 JKCA CCCN(CCC)Cc1c(O)ccc2c(=O)c(Oc3ccc(Cl)c(C)c3)c(C(F)(F)F)oc12 1791599 JBFMCZGKSSGAIC-UHFFFAOYSA-N 483.914 6.894 10 50 JKCA Cc1cc(/C=C2/C(=N)N3N=C(SCc4ccccc4)SC3=NC2=O)c(C)n1-c1ccc(F)cc1 9113718 VBUKNKJWZVQDRL-BPOWYZMYSA-N 489.601 5.743 10 50 JKCA CCCCc1ccc(/N=N/c2c(O)c(C(=O)Nc3cc(C)ccc3OC)cc3ccccc23)cc1 16667063 LKTVUUHUUVEVJK-QNEJGDQOSA-N 467.569 7.873 10 50 JKCA COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1F 102839515 ZGXHOPPDHNAWAI-HZHRSRAPSA-N 452.489 5.493 10 50 JKCA O=C1N=C(O)/C(=C\c2ccc3c(c2)OCO3)C(=O)N1c1ccc(OCc2ccc(Cl)cc2)cc1 1150914 BBNMEXRIDDMCSL-RGVLZGJSSA-N 476.872 5.154 10 50 JKCA CCCCSc1nnc2c(n1)O[C@H](c1ccc(N(CCC)CCC)cc1)Nc1ccccc1-2 2916668 QUIKHXBAKFXXNT-XMMPIXPASA-N 463.651 6.560 10 50 JKCA O=C1N=C(O)/C(=C\c2ccc(OCc3ccc(F)cc3)c(Cl)c2)C(=O)N1c1ccc([N+](=O)[O-])cc1 16156361 WTBFXOLFLDZKSU-YBFXNURJSA-N 495.850 5.473 10 50 JKCA CC[C@H](C)c1ccccc1OCCCOc1ccc(/C=C2/SC(=S)N(CC)C2=O)cc1OC 22257406 BEFOBVPINSRVJA-KHCKMINHSA-N 485.671 6.278 10 50 JKCA Cc1ccc(S(=O)(=O)Oc2cccc(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)c2)cc1 2960925 QXYPTYNAFSZRJV-PXLXIMEGSA-N 481.620 5.164 10 50 JKCA CCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC)c([N+](=O)[O-])c2)SC1=S 19912574 GPXDJYBFZXCKQL-KGENOOAVSA-N 494.598 5.457 10 50 JKCA Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N([C@@H](C)c3ccccc3)C2=O)cc1 2288624 TVCJHWHAJJNBQA-SVVBGHPLSA-N 481.646 6.810 10 50 JKCA O=C(O)[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)SC1=S 8763366 LFBIGAVOWOLUCI-TVNWYLLRSA-N 455.944 5.627 10 50 JKCA CC(C)CC1=NN2C(=N)/C(=C/c3ccc(OCc4ccccc4Cl)cc3)C(=O)N=C2S1 12382181 KWKQYYBSKCKNLI-JLFKZYKSSA-N 452.967 5.584 10 50 JKCA COc1ccccc1OCCOc1ccccc1/C=C1\SC(=S)N(c2ccccc2OC)C1=O 16267686 UQQJBWHHAQIGKO-ULJHMMPZSA-N 493.606 5.567 10 50 JKCA CCOc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 1158051 BKXRKKGYKIZGCA-GIJQJNRQSA-N 498.409 5.257 10 50 JKCA O=C1/C(=C/c2cc(Cl)c(O)c(Cl)c2)SC(=S)N1c1cccc(C(F)(F)F)c1 2833753 LKOBJJGZDGNPDX-MLPAPPSSSA-N 450.290 6.124 10 50 JKCA CCOc1cc(/C=C2/SC(=S)NC2=O)cc(Cl)c1OCCCOc1cccc(C)c1C 2882474 MSHWECROAVQLRS-DEDYPNTBSA-N 478.035 5.692 10 50 JKCA COc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCc1cccc2ccccc12 8838150 CCNWGOGSWJWVDW-WUXVYIAASA-N 484.581 5.703 10 50 JKCA CC[C@@H](NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)C12CC3CC(CC(C3)C1)C2 12418784 PEIGCOADANROCK-HNAUECLGSA-N 472.541 5.095 10 50 JKCA Cc1cccc(OCCOc2ccc(Cl)cc2/C=C2/C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c1 9057131 JDPAUGCDCWQQEC-KQWNVCNZSA-N 490.943 5.081 10 50 JKCA O=C1/C(=C\c2cn(Cc3ccc(F)cc3)c3ccccc23)SC(=S)N1c1ccc([N+](=O)[O-])cc1 9310403 HTDXTACXDMUOEZ-YDZHTSKRSA-N 489.553 6.143 10 50 JKCA COc1ccc([N+](=O)[O-])c2c1N[C@H](c1cc(Br)c(OC)c(OC)c1)[C@@H]1CC=C[C@H]21 9763671 JNHSTODHMNAQFW-XEKQOVJPSA-N 461.312 5.210 10 50 JKCA CC(C)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc1 22288937 PVUWLCCXKKCBJW-HZHRSRAPSA-N 474.944 5.709 10 50 JKCA COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1O[C@@H](C)c1ccccc1 2810293 PLVNGPIWKAYCET-MRSJDWDVSA-N 461.608 6.237 10 50 JKCA N=C1/C(=C\c2cc(Cl)c(O)c(Cl)c2)C(=O)N=C2SC(C34CC5CC(CC(C5)C3)C4)=NN12 8411388 QRYKOORWKZWDHY-AYMKESMHSA-N 475.401 5.535 10 50 JKCA O=[N+]([O-])c1cccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4F)cc3[C@H]3C=CC[C@@H]32)c1 9010388 NMPCNLTVYJUYKI-JXQFQVJHSA-N 465.506 5.361 10 50 JKCA Cc1ccc(OCCOc2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)cc2)c(C)c1 15800605 KVIYIWFWNJSEQW-ULJHMMPZSA-N 461.608 6.167 10 50 JKCA O=c1c(-c2cccc3ccccc23)c(C(F)(F)F)oc2c(CN3CCOCC3)c(O)ccc12 19791552 GQLSBNHAMXXMCG-UHFFFAOYSA-N 455.432 5.170 10 50 JKCA Cc1ccc(C)c(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N([C@@H](C)c3ccccc3)C2=O)c1 34107189 XWUFDKNCXTUQCK-WATSXHCISA-N 495.673 7.119 10 50 JKCA CCOC(=O)CN1[C@@H](c2ccccc2O)Nc2ccc(Br)cc2[C@@H]1c1ccccc1 55453965 XYBDVWYCNDIFCS-ZEQRLZLVSA-N 467.363 5.234 10 50 JKCA O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccc(Br)cc1 1217771 HPZMAURNFSAYHP-RVDMUPIBSA-N 467.435 5.131 10 50 JKCA COc1cccc(-c2cnc(-c3ccncc3)nc2C2CCN(Cc3ccc(N(C)C)cc3)CC2)c1 11912583 BRYCGBPCIXSTNT-UHFFFAOYSA-N 479.628 5.660 10 50 JKCA CCOc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OCc1ccc(C)cc1 12285079 BDPLOSNOTIEAAZ-PCLIKHOPSA-N 475.635 6.374 10 50 JKCA COc1ccc(-c2c(C(F)(F)F)oc3c(CN4CCCC[C@@H]4C)c(O)ccc3c2=O)cc1OC 6148672 CCNHMLGJOMBNLK-AWEZNQCLSA-N 477.479 5.576 10 50 JKCA biogenic COc1cc(/C=C2\SC(=S)N(CCCCCCCCCCC(=O)O)C2=O)ccc1O 8765555 REOKIHVDZHUAQI-CYVLTUHYSA-N 451.610 5.198 10 50 JKCA COc1ccccc1[C@@H](CCN(Cc1ccc(N(C)C)cc1)C(C)=O)c1ccc(OC(C)C)cc1 2087756 CDNZCIOMBUXMMX-NDEPHWFRSA-N 474.645 6.119 10 50 JKCA biogenic CCOC(=O)C1=C(c2ccccc2)S/C(=C2/C(=S)C(C)(C)Nc3c(OCC)cccc32)S1 2254497 JMGCPSSTDACDET-MOHJPFBDSA-N 483.680 6.740 10 50 JKCA Cc1cc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 6429188 OJDLAUSRAKDWCN-UKWGHVSLSA-N 474.438 6.197 10 50 JKCA N=C1/C(=C/c2cccc(OCc3ccccc3F)c2)C(=O)N=C2SC(c3ccccc3)=NN12 7018043 IFKKUIRBBMAXOJ-ZEOXQOHMSA-N 456.502 5.072 10 50 JKCA Oc1c(Cl)cc(Cl)cc1[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3cccs3)=NN12 25559522 OZLCZIAAFKXVTM-UZLBHIALSA-N 451.762 6.656 10 50 JKCA CCc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(OC(=O)c4ccccc4Cl)cc3)C2=O)cc1 32670989 YEHIXMVOBNULPA-QNGOZBTKSA-N 474.900 5.628 10 50 JKCA O=C1/C(=C\c2c[nH]c3ccc(Br)cc23)SC(=S)N1c1ccc([N+](=O)[O-])cc1 9296576 IHLCMJXZRQTOEC-FRKPEAEDSA-N 460.334 5.244 10 50 JKCA COc1ccc(N2C(=O)/C(=C\c3ccccc3OCc3c(F)cccc3Cl)SC2=S)cc1 9310402 ZDUOGQGKHCKJNT-LPYMAVHISA-N 485.989 6.473 10 50 JKCA O=C(Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)N1CCN(c2ccccn2)CC1 22130509 AQIVJAVQNUVQQO-UHFFFAOYSA-N 484.563 5.839 10 50 JKCA Cc1ccc(Sc2ccc([N+](=O)[O-])cc2/C=C2/SC(=S)N(c3ccccc3Cl)C2=O)cc1 25575101 UNFGMAJZZMOTTP-FYJGNVAPSA-N 499.038 7.114 10 50 JKCA COc1ccc2c(c1)S[C@H](c1ccc(OC)c(C)c1)CCN2Cc1ccc(OCCO)cc1 12243527 HJPZHARQLCMQGI-SANMLTNESA-N 465.615 5.627 10 50 JKCA CCN1C(=O)/C(=C\c2cccc(OC)c2OCCCOc2ccc(C(C)(C)C)cc2)SC1=S 22257537 LAXUUPXAQMZANA-OQKWZONESA-N 485.671 6.062 10 50 JKCA N=C1/C(=C/c2ccc(-c3ccccc3Cl)o2)C(=O)N=C2SC(c3ccccc3Cl)=NN12 30718999 ZVWMWJVYGMKLNG-NJEQYTMISA-N 467.337 5.921 10 50 JKCA O=C1/C(=C/c2ccccc2OCCOc2ccc([N+](=O)[O-])cc2)SC(=S)N1c1ccccc1 2993996 AUGIXDMGVUPESQ-JWGURIENSA-N 478.551 5.458 10 50 JKCA Cc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2 6296279 GHLGNFXLUPXCKQ-UFPGJGBJSA-N 465.018 6.584 10 50 JKCA COc1ccc(N2CCN(C(=O)c3ccc4c(c3)[C@@H]3[C@H]5CC[C@@H](C5)[C@H]3[C@H](c3ccccc3)N4)CC2)cc1 239164856 NATSMZNMWIDBHL-RHHINDAESA-N 493.651 5.954 10 50 JKCA CC1=NN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)[C@@H]1/N=N/c1ccc(C)c(Br)c1 100505626 BNUWUJJQRURBKS-IUBFCHALSA-N 499.350 5.664 10 50 JKCA O=C(CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1cccc(Cl)c1 8763420 MNLYJNXIJINBBR-GHRIWEEISA-N 451.038 5.802 10 50 JKCA CC(C)COc1ccc(C2=N/C(=C/c3ccc4c(c3)OCO4)C(=O)N2c2ccc([N+](=O)[O-])cc2)cc1 22340239 JYWMRMJOYIZPLG-YDZHTSKRSA-N 485.496 5.193 10 50 JKCA CCN1C(=O)/C(=C/c2ccc(OC)c(CSc3nc(C)cc(C(F)F)n3)c2)SC1=S 1016012 ONGWMYQGMDEFAV-SXGWCWSVSA-N 467.588 5.245 10 50 JKCA CC1CCN(Cc2c(O)ccc3c(=O)c(-c4ccccc4Cl)c(C(F)(F)F)oc23)CC1 1747698 LICWRIORMVANII-UHFFFAOYSA-N 451.872 6.070 10 50 JKCA biogenic COc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4ccccc4F)cc3)SC2=S)cc1 2953459 URWKSPWAFWKYGM-UCQKPKSFSA-N 465.571 5.815 10 50 JKCA COc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)cc(Cl)c1OCCOc1ccccc1 12382038 CHYBPEZSGXSCGV-XSBGCYDXSA-N 498.992 5.082 10 50 JKCA COc1cc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@H]3C=CC[C@H]32)cc(Br)c1OC 12628125 XYHKYEBAJQBIPV-QUJCMNEKSA-N 455.179 6.600 10 50 JKCA COc1ccc(I)cc1[C@H](Nc1cc(C)ccn1)c1ccc2cccnc2c1O 15016936 YQJGBQOMQJPUMF-JOCHJYFZSA-N 497.336 5.459 10 50 JKCA CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccccc1Cl 16677423 KBGSIWDXPLWQHB-ZHZULCJRSA-N 492.984 5.149 10 50 JKCA COc1ccc(CN2CCOc3c(cc(-c4cc(C)c5cccc(OC)c5n4)cc3OC)C2)c(O)c1 55089001 FCSFYHXCWXYEPW-UHFFFAOYSA-N 486.568 5.336 10 50 JKCA O=C1/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)SC(=S)N1CCCc1ccccc1 2812586 TXLTUFLBGFNMMH-ULJHMMPZSA-N 463.599 6.239 10 50 JKCA COc1ccccc1C(=O)Nc1cccc(N2CCC(N[C@H](C)c3csc(C)n3)CC2)c1 12244349 KPEIJGXEAMXAGB-QGZVFWFLSA-N 450.608 5.032 10 50 JKCA CCCCC1=NN2C(=N)/C(=C/c3ccc(O[C@H](C)c4ccccc4)c(OC)c3)C(=O)N=C2S1 15855911 XNBNCGOFVAVVRI-MAHHVUEUSA-N 462.575 5.645 10 50 JKCA CCN1C(=O)/C(=C/c2cc(Br)ccc2OCCOc2ccc(OC)cc2)SC1=S 8951984 UWOBPIZZQKRBAA-UYRXBGFRSA-N 494.432 5.137 10 50 JKCA Cc1ccc(-c2ccc(/C=C3/C(=O)N(c4cccc(Br)c4)C(=O)N=C3O)o2)cc1[N+](=O)[O-] 15799614 QASBDONAYVWLNP-GZTJUZNOSA-N 496.273 5.432 10 50 JKCA N=C1/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N=C2SC(SCc3ccccc3)=NN12 2817567 KQYBYCSBYWSSNJ-FZAWDKCWSA-N 489.538 5.365 10 50 JKCA CCN(CC)c1ccc(/C=C2/C(=O)N(c3ccc(Cl)cc3Cl)C(=S)N=C2O)c(O)c1 16675930 HVBMOYHIGUAVIK-OQLLNIDSSA-N 464.374 5.217 10 50 JKCA COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OC(=O)c1cccs1 1160423 GNGIIGHDDBSOMQ-MOSHPQCFSA-N 467.593 5.690 10 50 JKCA Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)c(C)n1-c1ccccc1 2917163 OZQRGYYQJHRSRJ-WOJGMQOQSA-N 470.381 5.232 10 50 JKCA CC(=O)Oc1ccc(Br)cc1/C=C1\SC(N(C(C)=O)c2ccc(C)c(C)c2)=NC1=O 1133978 YAQTVRIJNPDORO-JAIQZWGSSA-N 487.375 5.015 10 50 JKCA O=C1/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)SC(=S)N1CCc1ccccc1 6142582 CQEBKUROZBIVSG-DEDYPNTBSA-N 460.407 6.697 10 50 JKCA COc1cc(Cl)c([C@@H](Nc2ccccn2)c2cc(Cl)c3cccnc3c2O)cc1OC 6395450 DLYDEEJRPMOIBZ-OAQYLSRUSA-N 456.329 5.861 10 50 JKCA O=C1/C(=C\c2ccc(-c3ccc(Br)cc3)o2)SC(=S)N1C[C@@H]1CCCO1 13590972 CJZRPESTCOSZEY-ADFUCPMPSA-N 450.379 5.089 10 50 JKCA CCN1C(=O)/C(=C/c2cc(C)ccc2OCCOc2cccc(C(F)(F)F)c2)SC1=S 2811663 VUIXYUYYUXVIJO-UNOMPAQXSA-N 467.534 5.693 10 50 JKCA CCN1C(=O)/C(=C\c2cc([N+](=O)[O-])ccc2OCCCOc2ccc(Cl)cc2)SC1=S 6470458 ILVGKKJWPSOPGX-CPNJWEJPSA-N 478.979 5.317 10 50 JKCA COc1ccc(OCc2ccccc2Cl)c(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1 22358348 BCXLXXDOCYPZKF-UCQKPKSFSA-N 482.026 6.329 10 50 JKCA O=C(CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1ccccc1Br 13809818 BYILJPDVUKQZFU-ATVHPVEESA-N 495.851 5.723 10 50 JKCA COc1ccc(S(=O)(=O)Oc2ccccc2/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc1 16192895 GWJGCTODNLBFSW-JCMHNJIXSA-N 497.619 5.177 10 50 JKCA COc1ccc(N2C(=O)/C(=C\c3cccc(OCc4c(F)cccc4Cl)c3)SC2=S)cc1 6645271 WBEABSWKTSSLTL-LPYMAVHISA-N 485.989 6.473 10 50 JKCA O=C1/C(=C\c2cc([N+](=O)[O-])ccc2OCc2ccc(F)cc2)SC(=S)N1Cc1ccccc1 15856218 SIVIEPDSZHAWPU-LPYMAVHISA-N 480.542 5.714 10 50 JKCA O=C1/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C(C(F)(F)F)=NN1c1ccccc1 16183355 MVENOAXXEGYAQB-ATVHPVEESA-N 461.237 6.058 10 50 JKCA CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 22298660 RVPRNIYESTUWOW-GZTJUZNOSA-N 456.285 6.276 10 50 JKCA COc1ccc2c(c1)S[C@H](c1cc3c(cc1Cl)OCO3)CCN2Cc1cnn(C)c1C 15007321 BDLYZAHTINGYJR-QFIPXVFZSA-N 457.983 5.363 10 50 JKCA CC(=O)N[C@H](NC(=S)Nc1ccc(/N=N/c2ccccc2C)cc1C)C(Cl)(Cl)Cl 17836151 VCYRUPBRKOLUJP-LDJRNAMNSA-N 472.829 5.838 10 50 JKCA CCOC(=O)c1c(CSc2ccccc2)n(C)c2cc(Br)c(O)c(CN(C)C)c12 19907652 KCFYEAOKVJSACF-UHFFFAOYSA-N 477.424 5.177 10 50 JKCA world CCN1C(=O)/C(=C/c2cc(Br)c(OC(=O)c3ccccc3F)c(OC)c2)SC1=S 1120792 AOCLAYZSHXEPPB-YBEGLDIGSA-N 496.379 5.037 10 50 JKCA Cc1cc(/C=C2\C(=N)N3N=C(C45CC6CC(CC(C6)C4)C5)SC3=NC2=O)c(C)n1-c1ccccc1 8411350 KRZJNVPXUHNRLG-VTQZISFGSA-N 483.641 5.930 10 50 JKCA COc1cccc(-c2ccccc2NC(=O)C2CCN(Cc3cc(Cl)ccc3O)CC2)c1 12757632 PKTGFRYDOPAGQB-UHFFFAOYSA-N 450.966 5.572 10 50 JKCA CC[C@@H](C)c1ccc(OCCOc2ccc(/C=C3\C(=N)N4N=CSC4=NC3=O)cc2Cl)cc1 22496978 NHFLALHVQLPACH-GPDQEONYSA-N 482.993 5.560 10 50 JKCA COCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(C)c(F)c2)SC1=S 2533077 OCKQBLVDEQJAJH-STZFKDTASA-N 467.591 5.225 10 50 JKCA CCOc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCCCOc1ccc(C(C)(C)C)cc1 15857366 XRGCDOOWDMDXAD-HAVVHWLPSA-N 485.671 6.062 10 50 JKCA CCOc1cc(/C=C2/SC(=S)NC2=O)ccc1OCCCOc1ccc(C(C)(C)C)cc1 22257752 AEGPILIBLVLRFZ-CJLVFECKSA-N 471.644 5.720 10 50 JKCA CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C[C@@]12O[C@@]1(C)C(=O)c1ccccc1C2=O 103579157 TUZHANAISKEZFG-MCQQXJLSSA-N 460.658 8.129 10 50 JKCA in-vitro Cc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 981486 AJSMDTDFLTXPAY-CIAFOILYSA-N 478.530 5.634 10 50 JKCA COc1cc(OC)c(/C=C2\SC(Nc3cccc(Cl)c3C)=NC2=O)cc1Br 1202308 VGQNRYOWBFNQOF-IUXPMGMMSA-N 467.772 5.511 10 50 JKCA CC(C)(C)C(=O)N[C@H](NC(=S)Nc1ccc(/N=N/c2ccccc2)cc1)C(Cl)(Cl)Cl 16790472 WNZMHEXONUZIBK-NWKGHFSSSA-N 486.856 6.247 10 50 JKCA CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCCOC)C2=O)c(C)c1 22309659 SJYFAZYLDIKSNE-XQNSMLJCSA-N 493.654 5.484 10 50 JKCA COc1cc(C)ccc1OCCOc1cccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1 22310720 GVEAVOISQQTQPH-UQQQWYQISA-N 491.634 5.863 10 50 JKCA CCOc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(Br)cc3)C(O)=NC2=S)cc1 1184992 AGLZOVHTPXMAIP-XSFVSMFZSA-N 496.386 5.310 10 50 JKCA COc1ccc(CCN2C(=O)/C(=C/c3ccc(Cl)c(Cl)c3)SC2=S)cc1OC 1190114 IQJVGKOSDKMWMJ-WQRHYEAKSA-N 454.400 5.455 10 50 JKCA CCOc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Cl)c1OCCOc1ccc(Cl)c(C)c1 13897646 GTVVEQKONLQRCY-UNOMPAQXSA-N 498.453 5.989 10 50 JKCA CC/C(Nc1cc(Cl)ccc1O)=C1/C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 100157755 BSPSRGLHYHDKJO-WJDWOHSUSA-N 466.872 5.696 10 50 JKCA O=C1/C(=C/c2ccccc2OCCOc2ccccc2Cl)SC(=S)N1c1ccccc1F 3002153 UDYPSZJVEDQFHU-JCMHNJIXSA-N 485.989 6.343 10 50 JKCA COc1ccc(OCCOc2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)cc2)cc1 15800609 FUVZBRUZTYGKNN-QJOMJCCJSA-N 463.580 5.559 10 50 JKCA COc1cc(/C=C2/C(=O)N(c3ccc(O)cc3)C(=O)N=C2O)cc(Cl)c1OCc1cccc(F)c1 15836594 YLCXEOYORUFFQZ-VXLYETTFSA-N 496.878 5.279 10 50 JKCA N=C1/C(=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)C(=O)N=C2SC=NN12 16265947 WKLRQDZYTVWHLW-CPEKHBFVSA-N 465.749 5.475 10 50 JKCA COc1ccc(CN2C(=O)/C(=C/c3ccc(OC(=O)c4ccccc4)c(OC)c3)SC2=S)cc1 1165254 WRWLARHWKSFILP-HAHDFKILSA-N 491.590 5.324 10 50 JKCA Cc1cc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C(C)C)C2=O)ccc1OC(C)C 2305774 CJGNRSZYTVFHKB-UCQKPKSFSA-N 477.655 6.245 10 50 JKCA C[C@H](c1ccccc1)N1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)SC1=S 33579789 TUQRIEFECMVKHI-WCIBBKAISA-N 485.609 6.641 10 50 JKCA CCOC(=O)c1c(NC(=O)[C@@H]2C3CCC(CC3)[C@@H]2C(=O)O)sc2c1CC[C@@H](C(C)(C)C)C2 35898101 WZBBVSIUHDLBJA-YRIPVTTJSA-N 461.624 5.151 10 50 JKCA O=C1/C(=C\c2ccc(-c3ccc(Br)cc3)o2)SC(=S)N1C[C@H]1CCCO1 2350358 CJZRPESTCOSZEY-ZXMBATIKSA-N 450.379 5.089 10 50 JKCA O=C1/C(=C\c2ccc(OCc3ccccc3[N+](=O)[O-])cc2)SC(=S)N1C1CCCCC1 2993385 QOEKFBRZOFIEOD-KGENOOAVSA-N 454.573 5.708 10 50 JKCA CCOc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Br)cc4)o3)SC2=S)cc1 4508834 GOIOWEGGIYGEPQ-DEDYPNTBSA-N 486.412 6.514 10 50 JKCA COc1ccc2c(c1)S[C@H](c1ccc(OC)c(C)c1)CCN2Cc1cccc2nccnc12 11913586 VRPKUKFXASREBE-VWLOTQADSA-N 457.599 6.199 10 50 JKCA COc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1Cl)N2 44676359 ZVWNMHXVFZPFQG-UZEJHQAJSA-N 466.990 5.976 10 50 JKCA COc1ccc(/C=C2/C(=O)N(c3nc4ccccc4s3)N=C2CSc2ccc(C)cc2)cc1 100352293 SERIACVKUGYLJU-RCCKNPSSSA-N 471.607 6.192 10 50 JKCA Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)C2=O)cc1 2312358 WMJZOESBDRAQAZ-WOJGMQOQSA-N 498.979 6.287 10 50 JKCA COc1cc(/C=C2/SC(=S)NC2=O)cc(Cl)c1OCCCOc1cc(C)ccc1C 2878646 JUNJUXINWHNRHL-XDHOZWIPSA-N 464.008 5.302 10 50 JKCA O=C1/C(=C\c2ccc(I)cc2)SC(=S)N1c1cccc(Cl)c1 6974475 KZSCRJCLLMABQI-RIYZIHGNSA-N 457.745 5.350 10 50 JKCA COc1ccc(C(=O)N[C@H](c2ccc(Cl)cc2Cl)c2c(O)ccc3ccccc23)cc1 2982931 YVPMZVVXMHJGFH-XMMPIXPASA-N 452.337 6.380 10 50 JKCA CCOC(=O)c1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)sc2c1CCCCCCCCCCC2 8455308 QUYLVXZCCZSRQF-RBUKOAKNSA-N 475.651 6.140 10 50 JKCA CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=N)N4N=C(c5ccc(C)cc5)SC4=NC3=O)o2)cc1 8493214 UJQUQIDMJWKQGS-ZEOXQOHMSA-N 484.537 5.099 10 50 JKCA CCN1C(c2ccccc2)=C(c2ccccc2)S/C1=C/C=C1\SC(=S)N(c2ccccc2)C1=O 15937648 KOMZLILATJIPPD-XPKROWLPSA-N 498.698 7.371 10 50 JKCA CC1=NN(c2ccc(I)cc2)C(=O)/C1=C\c1ccc(-c2cccc(C(=O)O)c2)o1 16156135 VVXFDVCMVLMOQU-UNOMPAQXSA-N 498.276 5.056 10 50 JKCA CCCCCC[C@]1(O)[C@H](C)[C@@H](c2ccc(N(C)C)cc2)N[C@@H](c2ccc(N(C)C)cc2)[C@H]1C 239415410 UJSGOICYYICMBC-VBQXHZHXSA-N 451.699 6.178 10 50 JKCA CCN1C(=O)/C(=C\c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)SC1=S 6470409 CGGBQZHZLGWMEU-LICLKQGHSA-N 454.400 5.802 10 50 JKCA CCOc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCCCOc1cc(C)ccc1C 2874278 GGRDRKDCUWVYIZ-PXLXIMEGSA-N 457.617 5.381 10 50 JKCA CC1(C)CC(=O)c2cc(-c3ccc(Br)cc3)n(-c3ccc(Cl)c(C(F)(F)F)c3)c2C1 2941969 RSJKUZKJORWAMW-UHFFFAOYSA-N 496.754 7.734 10 50 JKCA O=C1c2cccc(OC(=O)[C@@H]3[C@H]4CCCC[C@H]43)c2C(=O)c2c(OC(=O)[C@@H]3[C@H]4CCCC[C@H]43)cccc21 239296787 DIMAYDDWOJVDEP-CAGQATRXSA-N 484.548 5.145 10 50 JKCA N=C1/C(=C/c2ccc(OCCOc3ccccc3)cc2)C(=O)N=C2SC(Cc3ccccc3)=NN12 15855816 NMRHJTLTFUQENQ-WLKIOIGBSA-N 482.565 5.006 10 50 JKCA CCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)SC1=S 16805294 ZSGGWTZVBOTCDQ-STZFKDTASA-N 465.600 5.168 10 50 JKCA O=C(c1ccccc1)c1cc(Cl)cc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@@H]21 226769549 XTRRGNSKQSRNBD-STSQHVNTSA-N 454.784 7.704 10 50 JKCA CCOC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@H]2C3=C(C)C)sc2c1CC[C@H](CC)C2 239425707 VAVYKRZJAZHPON-JVZMEXGZSA-N 459.608 5.071 10 50 JKCA CCN(CC)Cc1c(O)ccc2c(=O)c(Oc3ccccc3Br)c(C(F)(F)F)oc12 934300 UJIICRYFZKRMMW-UHFFFAOYSA-N 486.284 5.914 10 50 JKCA biogenic CCc1ccc(OCCCOc2c(Cl)cc(/C=C3/SC(=S)N(C)C3=O)cc2OC)cc1 2878348 JMXNKMXCKJXIFE-XSFVSMFZSA-N 478.035 5.590 10 50 JKCA COc1ccc(N2CCN3c4ccccc4C[C@@]4(C(=O)N(c5ccc(Cl)cc5)N=C4C)[C@@H]3C2)cc1 226813333 YBTIOWHKOXIQEX-XCZPVHLTSA-N 487.003 5.009 10 50 JKCA C[C@H]1C[C@@H]2[C@@H](c3ccccc3)c3ccc(O)c(O)c3O[C@]23NC(=S)N[C@@H](c2ccccc2)[C@H]3C1 248339278 SPOYDIYBWAWZLV-ZDHNISQWSA-N 472.610 5.200 10 50 JKCA CCOC(=O)c1oc2c(CN3CCCCC3)c(O)c(CC)cc2c(=O)c1-c1nc2ccccc2s1 1817296 FBZAXVOFLUKLIK-UHFFFAOYSA-N 492.597 5.500 10 50 JKCA biogenic COc1c(Cl)cc(Cl)cc1[C@@H]1N=NC(C2C(=O)c3ccccc3C2=O)=C[C@@H]1c1ccccc1 136949498 IOTIIRMKYFXSFM-WZONZLPQSA-N 477.347 6.872 10 50 JKCA O=C(CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccc(Cl)cc1Cl 2381805 CEVGZXIBLQKBRO-SFQUDFHCSA-N 485.483 6.455 10 50 JKCA CN(Cc1ccc(N(C)C)cc1)Cc1nnc(SCc2ccncc2)n1-c1cccc(Cl)c1 12219157 ZEALNHRAQDNMFO-UHFFFAOYSA-N 479.053 5.306 10 50 JKCA CC1=NN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)[C@H]1/N=N/c1ccc(C)c(Br)c1 100505628 BNUWUJJQRURBKS-FTGFMQHASA-N 499.350 5.664 10 50 JKCA CCOc1cc(/C=C2\SC(=S)N(CCOC)C2=O)ccc1OCc1ccc(Cl)cc1Cl 15010778 UTVAGFNLJLQCSF-JAIQZWGSSA-N 498.453 5.819 10 50 JKCA CCN1C(=O)/C(=C\c2ccc(-c3cccc(C(=O)O)c3C)o2)C(=O)N(c2ccc(Cl)cc2)C1=S 16213900 ZDTRRLWFVQHWAT-DEDYPNTBSA-N 494.956 5.170 10 50 JKCA CCOc1cc(/C=C2\SC(=S)NC2=O)ccc1OCCOc1ccccc1[C@H](C)CC 22229174 NBFPDTPSLDIJBF-GRVPHDJPSA-N 457.617 5.545 10 50 JKCA COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2 226979277 PUWHSWLGZDUAMZ-OHUGHZGNSA-N 470.481 5.427 10 50 JKCA COc1ccc(/C=C2\SC(=S)N(CCC(=O)N(Cc3ccccc3)C(C)(C)C)C2=O)cc1OC 8735641 JJTYPBNDRKFKKU-JWGURIENSA-N 498.670 5.122 10 50 JKCA C[C@@H](COc1ccccc1)COc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1 2831880 WBFZKJFAOHWBBL-JWGRYVKWSA-N 461.608 6.186 10 50 JKCA CCN1C(=O)/C(=C\c2cc(Cl)c(OCCCOc3cc(C)cc(C)c3)c(OC)c2)SC1=S 6470393 UYPUVARTZJBAKF-KGENOOAVSA-N 492.062 6.034 10 50 JKCA CCOc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCc1ccccc1F 8452964 PLMBRKLKHKAWSS-XSBGCYDXSA-N 466.538 5.079 10 50 JKCA CCOc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCCCOc1ccc([C@H](C)CC)cc1 22257417 PIJNLKLANDJCMO-ZDSQJECRSA-N 485.671 6.278 10 50 JKCA C[C@H]1CN(Cc2cc(Cl)c3cccnc3c2O)[C@H](C)CN1Cc1cc(Cl)c2cccnc2c1O 71766954 BPEHVQPLTYYOFZ-IYBDPMFKSA-N 497.426 5.596 10 50 JKCA O=C1[C@H]2[C@@H](c3cc(Cl)cc(Cl)c3O)N(c3ccccc3)O[C@H]2C(=O)N1c1ccc(Cl)cc1 137918384 NGSZVKITUOELLM-QKNQBKEWSA-N 489.742 5.404 10 50 JKCA COc1ccc(OCc2ccc(F)cc2)c(/C=C2\SC(=S)N(c3ccccc3C)C2=O)c1 2811931 CXXDFVGDOPHDMY-UCQKPKSFSA-N 465.571 6.128 10 50 JKCA Cc1ccccc1OCCCOc1cccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)c1 15857218 CXQOVMGNVVJVPY-XIEYBQDHSA-N 475.635 6.244 10 50 JKCA O=C1c2c(Cl)ccc(Cl)c2C(=O)c2c(OCc3ccccc3)ccc(OCc3ccccc3)c21 38290730 OHORWBYCFXWDRN-UHFFFAOYSA-N 489.354 6.927 10 50 JKCA CC(C)OC(=O)c1c(NC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)sc2c1CCCCCCCCCC2 239030915 COLJMMIPQWNMNM-YHDSQAASSA-N 489.678 6.218 10 50 JKCA CC1(C)CC(=O)c2cc(-c3ccc(Br)cc3)n(-c3ccc(O)c(C(=O)O)c3)c2C1 751767 XAWDSLHMGBTXRG-UHFFFAOYSA-N 454.320 5.466 10 50 JKCA Cn1nc(-c2ccccc2)c2c(C(=O)C(F)(F)F)cc(C(=O)C(F)(F)F)c-2c1-c1ccccc1 2495434 KIWWUWRUOKDPFI-UHFFFAOYSA-N 476.376 6.349 10 50 JKCA biogenic COc1ccccc1C(=O)Nc1cccc(N2CCC(N3CCC(c4ccncc4)CC3)CC2)c1 12470098 BEMFFRFHSVJJST-UHFFFAOYSA-N 470.617 5.191 10 50 JKCA Oc1ccc(Br)cc1[C@@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3cccs3)=NN21 13616644 AIUAWDOZDBKOTF-JXFKEZNVSA-N 461.768 6.112 10 50 JKCA C[C@@H]1CCCCN1Cc1c(O)c(CN2CCCC[C@H]2C)c2oc(-c3ccccc3)cc(=O)c2c1O 252182587 QGPIZOQEGOUCIZ-WOJBJXKFSA-N 476.617 5.620 10 50 JKCA biogenic Cc1cccc(N2CCN(C3=NC(=O)/C(=C/c4ccc(OC(=O)c5ccccc5)cc4)S3)CC2)c1 2690880 ZRMMPDUAGAZJDA-PLRJNAJWSA-N 483.593 5.007 10 50 JKCA CN(C)CCCNc1ccc(/N=N/c2ccc(S(=O)(=O)O)c3ccccc23)c2ccccc12 96026620 RPAYTMYIKSPBDL-BYYHNAKLSA-N 462.575 6.019 10 50 JKCA CCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)sc2c1CCCCCCCCCCC2 138472540 QDPCATIORLNJPG-MOXQZVSFSA-N 489.678 6.220 10 50 JKCA O=c1cc(-c2ccccc2)c2ccc(O)c(CN3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@@H]56)[C@@H]43)c2o1 886025683 UNVIRHUXSXSVIE-OZNNBAMKSA-N 482.624 5.561 10 50 JKCA CC1=NN(c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O 12492945 USBXIYCUDCVWPQ-ULJHMMPZSA-N 472.504 5.452 10 50 JKCA O=C1N=C(O)/C(=C\c2cc(Cl)ccc2OCc2ccccc2)C(=O)N1c1ccc([N+](=O)[O-])cc1 16156331 WYQKHIZSINUKDD-DEDYPNTBSA-N 477.860 5.334 10 50 JKCA COc1cccc(C(=O)Oc2ccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)cc2OC)c1 16247089 ZMAYIIFKEWQHPH-UCQKPKSFSA-N 491.590 5.324 10 50 JKCA CCOC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@H]1CN3[C@@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@@H]21 239425834 VIQCNXYAZDLQDG-BHTUGMJESA-N 466.408 7.064 10 50 JKCA Oc1ccc(Br)cc1[C@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3ccco3)=NN21 19893461 RZQWINOZPJXTGQ-OXJNMPFZSA-N 490.151 5.753 10 50 JKCA COc1ccc(OCCOc2ccccc2Cl)c(/C=C2\SC(=S)N(c3ccccc3)C2=O)c1 16212938 QYWVWVLRLOVZPR-KQWNVCNZSA-N 498.025 6.212 10 50 JKCA Cc1ccc(C(C)C)cc1-c1nn(-c2ccccc2)cc1/C=C1/SC(=S)N(CC(C)C)C1=O 25581409 GLKKMLJDHJJCSA-ZVHZXABRSA-N 475.683 6.828 10 50 JKCA CCCC[C@H](CC)CN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccccc2)SC1=S 33939536 RQAMSOGMQKNBCC-MHIQDMOBSA-N 475.683 6.957 10 50 JKCA CCOC(=O)c1c(CSc2ccccc2)n(-c2ccccc2)c2ccc(O)c(CN(C)C)c12 2266184 QMXITQOZYQDLIQ-UHFFFAOYSA-N 460.599 5.867 10 50 JKCA Oc1ccc(Cl)cc1[C@H]1Oc2ccc(Br)cc2[C@H]2CC(c3cccs3)=NN21 13616711 KQPJDMCPQOMDIQ-OXQOHEQNSA-N 461.768 6.112 10 50 JKCA COc1cc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)O)c3)N=C2C(F)(F)F)ccc1OCC(C)C 16266005 QSXHLDGDDDWFQD-PXNMLYILSA-N 496.869 5.430 10 50 JKCA COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cc(Br)ccc2O)cc1OC 19878908 XEFWSPCECPMBCB-YADARESESA-N 481.346 5.414 10 50 JKCA Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccc(C(=O)O)cc2)N3)cc1C 36056886 XCBONKHCCRJMNW-UMFSSWHCSA-N 474.582 5.629 10 50 JKCA COc1ccc(N2C(=O)/C(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)SC2=S)cc1 6645250 KJBMPSLPCKBFNQ-YBFXNURJSA-N 472.931 5.923 10 50 JKCA C[C@H](NC1CCN(c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)CC1)c1nccs1 12243170 WBHPQJQOISWKHQ-INIZCTEOSA-N 474.552 5.734 10 50 JKCA O=C1/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)SC(=S)N1Cc1ccccc1 3002090 SXSLRGJEIXBWTD-OYKKKHCWSA-N 485.590 5.999 10 50 JKCA Cc1ccccc1/N=N/c1ccc(N[C@H](NC(=O)c2cccs2)C(Cl)(Cl)Cl)c(C)c1 25560751 IDXPWXHTRHPSMT-SQXAAPRXSA-N 481.836 7.319 10 50 JKCA C/C(=C\C[C@]12O[C@]1(C)C(=O)c1ccccc1C2=O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C 100046977 KUTXFBIHPWIDJQ-LXCDNIEFSA-N 466.706 8.369 10 50 JKCA endogenous,in-man O=C1c2ccccc2C(=O)C1(Nc1ccc(OCc2ccccc2Cl)cc1)c1ccccc1 2738734 XVPJYTVHKMNQRW-UHFFFAOYSA-N 453.925 6.306 10 50 JKCA COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1 2964953 DTEVBOPINLPSEA-KGENOOAVSA-N 467.999 6.333 10 50 JKCA Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1 2965828 AABZVDZGZXCECO-PXLXIMEGSA-N 481.620 5.164 10 50 JKCA O=C1/C(=C\c2ccc(SC3CCCCC3)c([N+](=O)[O-])c2)SC(=S)N1Cc1ccccc1 12368353 JLDTXLDTEIVFKI-KGENOOAVSA-N 470.641 6.421 10 50 JKCA COc1ccc(/C=C2/SC(N3CCN(C(c4ccccc4)c4ccccc4)CC3)=NC2=O)cc1 22242189 JTLRYDMEPRVPIB-LKUDQCMESA-N 469.610 5.073 10 50 JKCA COc1cc(Br)c(/C=C2\SC(=S)N(CCCc3ccccc3)C2=O)cc1OC 2817299 ATYGMHSBUNFFBT-UNOMPAQXSA-N 478.433 5.300 10 50 JKCA O=C(O)[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(OCc3ccccc3Cl)cc2)SC1=S 26771458 UUHJUAHCLSCPCP-AMUNLKFJSA-N 496.009 5.946 10 50 JKCA CCc1ccc(OCCCOc2c(Cl)cc(/C=C3/SC(=S)NC3=O)cc2OC)cc1 2882456 DMGYQVVPOOARCR-CPNJWEJPSA-N 464.008 5.248 10 50 JKCA O=C(O)[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(OCc3ccccc3Cl)cc2)SC1=S 26771457 UUHJUAHCLSCPCP-QJUACMODSA-N 496.009 5.946 10 50 JKCA CCOc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(OCc4cccc(F)c4)cc3)C2=O)cc1 1175049 CHCJPXLEUCLFJX-HZHRSRAPSA-N 460.461 5.310 10 50 JKCA COc1ccc(CN2C(=O)/C(=C/c3ccc(OCCC(C)C)c(OC)c3)SC2=S)cc1 2673254 GYGAAMHJCDDCMF-HMAPJEAMSA-N 457.617 5.530 10 50 JKCA CCN1C(=O)/C(=C\c2cc(Cl)c(OCCCOc3ccc(C)c(C)c3)c(OC)c2)SC1=S 6470395 HPANLVARHAXGLX-KGENOOAVSA-N 492.062 6.034 10 50 JKCA COC(=O)c1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)SC1=S 9310346 LDHLRRPLGQXHGL-YBFXNURJSA-N 499.953 5.491 10 50 JKCA Cc1ccc(-c2ccc(/C=C3/C(=O)N(c4ccc(Br)cc4)C(=O)N=C3O)o2)cc1[N+](=O)[O-] 1185778 BOIYXTRLTYIFEF-GZTJUZNOSA-N 496.273 5.432 10 50 JKCA COc1cccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)C(O)=NC2=S)c1 1137334 SZYRYNJNCWTDMD-MTJSOVHGSA-N 465.962 5.428 10 50 JKCA COc1cc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)ccc1OCc1ccccc1F 2812515 VROWYKWUBWSYOR-HAHDFKILSA-N 471.619 6.195 10 50 JKCA O=C(O)c1cc(-c2ccc(/C=C3/SC(=S)N(c4ccc(Cl)cc4)C3=O)o2)ccc1Cl 15012047 QXAJHALSQOKGKD-VCHYOVAHSA-N 476.362 6.357 10 50 JKCA CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(Cc3ccco3)C2=O)cc1 19878959 FZLKJHWRAUODBF-HZHRSRAPSA-N 487.606 5.932 10 50 JKCA CCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3CC[C@@H](C3=C(C)C)[C@H]2C(=O)O)sc2c1CC[C@@H](C(C)(C)C)C2 239439244 ZQEXFWGGECWIDK-WGMOTNOQSA-N 487.662 5.708 10 50 JKCA Cc1ccc(CN2C(=O)/C(=C/c3ccc(OC(=O)c4cccs4)cc3)SC2=S)cc1 1165023 LBEZUFXJXYTQHH-MOSHPQCFSA-N 451.594 5.677 10 50 JKCA CCN1C(=O)/C(=C/c2cc(Cl)cc(Cl)c2OCCOc2ccc(OC)cc2)SC1=S 2852000 BHMXSVIUZWYAHP-WQRHYEAKSA-N 484.426 5.681 10 50 JKCA CCN1C(=O)/C(=C\c2cc(Br)c(OCc3ccc(F)cc3)c(OC)c2)SC1=S 6470363 NIDPICHSHCRJBD-LICLKQGHSA-N 482.396 5.397 10 50 JKCA COc1cccc(/C=C2\SC(=S)N(C)C2=O)c1OCCOc1cc(Cl)ccc1Cl 3463721 BEAJVVBJKIDCFV-YVLHZVERSA-N 470.399 5.291 10 50 JKCA Cc1ccc(C)c(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c1 4644081 LOUOQUAZBIJOHN-KGENOOAVSA-N 477.611 5.222 10 50 JKCA CCOc1cc([C@H](Nc2cc(C)ccn2)c2ccc3cccnc3c2O)ccc1OCc1ccccc1 6387459 YDDQFFMMAYWFAQ-LJAQVGFWSA-N 491.591 6.823 10 50 JKCA CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1OCc1ccc(Br)cc1 22298656 WLLUUVTXHBTDJJ-HAHDFKILSA-N 491.385 6.233 10 50 JKCA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCC)C2=O)cc1 33350439 ARVQNUSBTIZJKB-CJLVFECKSA-N 463.628 5.939 10 50 JKCA O=C(COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2)c1ccc(Cl)cc1 217407257 WDBJJXLNDUZKFB-TVZXLZGTSA-N 478.375 6.860 10 50 JKCA COCCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)SC1=S 2929528 MOOMTWPBPIJKON-YVLHZVERSA-N 472.390 5.559 10 50 JKCA Cc1ccc(/C=C2/SC(=S)N(CC(=O)N3c4ccccc4Sc4ccccc43)C2=O)cc1 15799643 NVHKPQHBCKPTTO-HYARGMPZSA-N 474.632 6.026 10 50 JKCA CCN1C(=O)/C(=C/c2ccc(OC)c(COc3cccc(Cl)c3Cl)c2)SC1=S 2112682 LBFXCPXAILKARY-YVLHZVERSA-N 454.400 5.802 10 50 JKCA COc1ccc([N+](=O)[O-])c2c1N[C@H](c1cc(Br)c(OC)c(OC)c1)[C@H]1CC=C[C@H]21 9763818 JNHSTODHMNAQFW-WTOJCKNJSA-N 461.312 5.210 10 50 JKCA Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)N=C(S)N(c3ccc(Cl)cc3)C2=O)o1 22145951 NFXXSEUATYBIKE-WOJGMQOQSA-N 467.890 5.059 10 50 JKCA COc1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)c2cc(Cl)c3cccnc3c2O)cc1 6397351 BEKCSNIMRKXEFV-OAQYLSRUSA-N 453.325 5.775 10 50 JKCA biogenic CCC1=NN2C(=N)/C(=C\c3cc(Cl)c(OCCOc4ccccc4C)c(OC)c3)C(=O)N=C2S1 16182850 BMKVSOGTMCAHDO-MBXMAFHSSA-N 498.992 5.144 10 50 JKCA Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1 2286276 UYRNFSNCTHQEKZ-BWAHOGKJSA-N 481.646 6.292 10 50 JKCA CCCC1=NN2C(=N)/C(=C/c3ccc(OCc4ccc(F)cc4)c(OCC)c3)C(=O)N=C2S1 8452963 HCJDGXRTLSDCAM-QLSUFNALSA-N 466.538 5.223 10 50 JKCA CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C\Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 13923811 AJFUOPAOEHUDRP-RGEXLXHISA-N 481.606 6.600 10 50 JKCA Cc1ccc(CN2C(=O)/C(=C3\SC(=S)N(Cc4ccccc4)C3=O)c3ccccc32)cc1 16729787 ORKJSHVBMPMCPU-FCQUAONHSA-N 456.592 5.313 10 50 JKCA COc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccccc2O)cc1 25577623 QTJLUVSQPXYBGQ-NFBKMPQASA-N 451.320 5.406 10 50 JKCA CN(C)c1ccc(CN(C(=O)c2cc(-c3ccc4c(c3)CCCC4)on2)c2ccccn2)cc1 28292508 QSQWJTZEXZLIPL-UHFFFAOYSA-N 452.558 5.528 10 50 JKCA Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cc(C(=O)O)ccc4Cl)o3)C2=O)cc1 2141913 DIKLBWZYGAQLJD-JAIQZWGSSA-N 496.928 5.282 10 50 JKCA O=C1/C(=C2\SC(=S)N(C3CCCC3)C2=O)c2cc(Br)ccc2N1Cc1ccccc1 16732088 ZVYMLXIREULEPN-VXPUYCOJSA-N 499.455 5.510 10 50 JKCA Cc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1 1182181 TZWDKTJYBDGTEQ-LICLKQGHSA-N 451.400 5.532 10 50 JKCA O=C(O)c1ccc(COc2ccc(/C=C3/C(=O)N(c4cccc(Cl)c4)C(=O)N=C3O)cc2)cc1 16265008 OLDCVNCBFVFRID-CIAFOILYSA-N 476.872 5.124 10 50 JKCA CCOC(=O)C1=C(c2ccccc2)S/C(=C2/C(=S)C(C)(C)Nc3cc(C)ccc32)S1 2055958 NNHBWXPQVORCGW-NKFKGCMQSA-N 453.654 6.650 10 50 JKCA CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2nc(SCc3ccccc3)ncc2Cl)cc1 8846000 JCQFTHTVBJSFKI-UHFFFAOYSA-N 493.032 5.924 10 50 JKCA Cc1ccccc1COc1ccc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)cc1Br 16213789 PLSYPKCCCSFACQ-GXMOOAJBSA-N 497.418 5.612 10 50 JKCA CCc1cc2c(=O)c(-c3nc(C)cs3)coc2c(CN2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c1O 238901802 MSVQRQDUIPRIMZ-QUGAMOGWSA-N 452.620 5.894 10 50 JKCA O=C1c2cccc(OC(=O)C3[C@H]4CCCC[C@H]34)c2C(=O)c2c(OC(=O)[C@@H]3[C@H]4CCCC[C@H]43)cccc21 239296789 DIMAYDDWOJVDEP-MNAFTKGFSA-N 484.548 5.145 10 50 JKCA O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1cccc(C(F)(F)F)c1 1218204 AJVADSXABTZNDL-PTNGSMBKSA-N 456.536 5.387 10 50 JKCA O=C1/C(=C/c2cccs2)SC(=S)N1CCCC(=O)N1c2ccccc2Sc2ccccc21 1798945 NAORDQKTRIGKPV-QNGOZBTKSA-N 494.688 6.559 10 50 JKCA CCCC1=NN2C(=N)/C(=C/c3cc(Cl)c(OCc4ccccc4F)c(OC)c3)C(=O)N=C2S1 9438974 SSPJDXNNNQBFKF-ZNAHQGMLSA-N 486.956 5.486 10 50 JKCA Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Br)cc4)o3)SC2=S)cc1 13603185 FRXLACFOIRXZIX-XDHOZWIPSA-N 456.386 6.423 10 50 JKCA COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)Nc1ccccc1C 16712625 YDWYZSWXVJQLCG-XKZIYDEJSA-N 494.594 5.016 10 50 JKCA CCN(CC)c1ccc(C(c2ccc(Cl)cc2)c2ccc(N(CC)CC)cc2O)c(O)c1 20607390 KALCKNZPWZYMIH-UHFFFAOYSA-N 453.026 6.624 10 50 JKCA CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N[C@H](c2ccccc2)c2c(O)ccc3ccccc23)cc1 1746846 OXYIMXDCEYCTJD-WJOKGBTCSA-N 495.663 7.544 10 50 JKCA Cc1ccc(NC2=NC(=O)/C(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)S2)cc1Cl 2899877 HHOATLVWUWVGJV-GRSHGNNSSA-N 474.325 6.552 10 50 JKCA O=C1NC(=S)S/C1=C\c1cc(Br)ccc1OCc1c(F)cccc1Cl 22358569 XGFIOKWWCAMFDN-CHHVJCJISA-N 458.761 5.309 10 50 JKCA C[C@H]1CCCCN1Cc1c(O)ccc2c(=O)c(-c3cccc(Cl)c3)c(C(F)(F)F)oc12 1747808 AKGLHHYPQRRQMH-ZDUSSCGKSA-N 451.872 6.212 10 50 JKCA COc1cc(/C=C2/SC(=S)NC2=O)cc(Cl)c1OCCCOc1ccc(C)c(C)c1 2882368 HJWCKJANVGVSSZ-XDHOZWIPSA-N 464.008 5.302 10 50 JKCA COC(=O)c1ccc(NC(=O)c2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)cc1 8442687 MOLFOKCAWMAQDS-UHFFFAOYSA-N 457.489 6.128 10 50 JKCA CC[C@H](C)c1ccccc1OCCOc1c(Cl)cc(/C=C2\SC(=S)N(C)C2=O)cc1OC 9659653 REBRQDNIPKDRSS-JTMDUIFQSA-N 492.062 6.151 10 50 JKCA CCCSc1nnc2c(n1)O[C@@H](c1ccc(N(C)C)cc1)Nc1ccc(Br)cc1-2 2977180 DPYWLKTWJLMHFQ-IBGZPJMESA-N 472.412 5.372 10 50 JKCA COc1cc([C@@H]2CC(=O)Oc3c2c2nc4ccccc4nc2c2ccccc32)cc(OC)c1O 217672201 VOXRXOOVJUXRLN-KRWDZBQOSA-N 452.466 5.100 10 50 JKCA biogenic O=C(O)CCCCCN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC1=S 1805126 UFSDZZRMTWSKRC-GZTJUZNOSA-N 480.951 5.354 10 50 JKCA O=C1/C(=C/c2ccc(OCc3cccc(F)c3)c(Cl)c2)SC(=S)N1Cc1cccnc1 15010790 XQWOCBOCRCBSPT-NHDPSOOVSA-N 470.978 5.855 10 50 JKCA COc1cc([C@@H](Nc2cc(C)ccn2)c2ccc3cccnc3c2O)ccc1OCc1ccccc1 15016414 ZZSYTNOJTJSZIW-MUUNZHRXSA-N 477.564 6.433 10 50 JKCA Cc1ccc(S(=O)(=O)N2N=C(c3ccc(Br)cc3)C[C@H]2c2ccc(N(C)C)cc2)cc1 16319770 KGABQQBIAUFNBT-DEOSSOPVSA-N 498.446 5.364 10 50 JKCA CCN1C(=O)/C(=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)c2cc(Br)ccc21 16730306 PWJFXGNOHIFFTR-GHXQLAGASA-N 473.417 5.148 10 50 JKCA Oc1ccc(Br)cc1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc4ccccc4c3)=NN21 25901673 SMXFFUBYUKAKJJ-JYFHCDHNSA-N 471.354 6.550 10 50 JKCA COC(=O)c1ccc(N2C(=O)N=C(O)/C(=C\c3ccccc3OCc3ccccc3Cl)C2=O)cc1 1177577 RJZFOQOKOFYSKG-XSFVSMFZSA-N 490.899 5.212 10 50 JKCA N=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(=O)N=C2SC(c3ccccc3)=NN12 7018023 VKRKLVDJOLNTKH-MLDLNWIHSA-N 477.889 5.176 10 50 JKCA C[C@@H](N/C=C1/C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F)C12CC3CC(CC(C3)C1)C2 8430195 BUFHLSHLYFHOIL-VNAPRPBRSA-N 474.552 5.640 10 50 JKCA CCOc1cc(/C=C2/C(=N)N3N=C(c4ccccc4C)SC3=NC2=O)ccc1OCc1ccccc1 15855851 POSDFHWHBMDUFI-ZFLZBDSRSA-N 496.592 5.640 10 50 JKCA CC(C)(c1ccccc1)c1ccc(OCCOc2cccc(/C=C3\SC(=S)NC3=O)c2)cc1 15856505 XENMAMBTLPBCBS-MOHJPFBDSA-N 475.635 5.959 10 50 JKCA CC1CCN(Cc2c(O)ccc3c(=O)c(-c4cccc5ccccc45)c(C(F)(F)F)oc23)CC1 4136126 AYIVLLSOKJQKPM-UHFFFAOYSA-N 467.487 6.570 10 50 JKCA CCOc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Cl)c1OCc1ccccc1[N+](=O)[O-] 16192783 XAKDBDJFZRACCU-YVLHZVERSA-N 464.952 5.057 10 50 JKCA COc1ccc(OCc2ccc(F)cc2)c(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1 16212911 UJBNVTFNWGZFQU-UCQKPKSFSA-N 465.571 5.815 10 50 JKCA Cc1ccc(NC(=O)c2cc3ccccc3c(/N=N/c3cc(S(=O)(=O)O)ccc3O)c2O)c(C)c1 4974300 LZBFYQQOKGIGIS-BYYHNAKLSA-N 491.525 5.782 10 50 JKCA O=C(O)c1cccc(-c2ccc(/C=C3/SC(=S)N(c4cccc5ccccc45)C3=O)o2)c1 9310420 PHTGPKDCLHPEAD-HYARGMPZSA-N 457.532 6.204 10 50 JKCA O=C(Nc1cccc(N2CCC(NCCc3ccco3)CC2)c1)c1cccc(C(F)(F)F)c1 12457453 DDFXDTDBXNVUCZ-UHFFFAOYSA-N 457.496 5.352 10 50 JKCA O=C(Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2)c1ccc(Cl)cc1Cl 101700008 PSKHPKXSJDHLJA-IMWIBFENSA-N 480.351 6.980 10 50 JKCA CC(=O)[C@@H]1[C@H](c2ccc(F)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccc(C)cc3N12 248380137 OZKHCTXAQCTIFS-UODIDJSMSA-N 451.497 5.157 10 50 JKCA O=C1/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(O)=NC(=S)N1c1ccccc1 849721 LSSNIFHABSVFRH-LFIBNONCSA-N 453.863 5.180 10 50 JKCA Cc1ccccc1N=Nc1ccc(NC(=S)N[C@@H](NC(=O)CF)C(Cl)(Cl)Cl)c(C)c1 239235440 VZDKQEMOSBIJFB-QGZVFWFLSA-N 490.819 5.787 10 50 JKCA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCOC)C2=O)c(C)c1 2376642 CTJPQNQSDKFRHC-KQWNVCNZSA-N 493.654 5.484 10 50 JKCA CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCC)C2=O)c(C)c1 2509384 STDXSHALORRHIQ-ULJHMMPZSA-N 491.682 6.638 10 50 JKCA O=C1OC(c2ccc(Br)cc2)=C/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 12363070 LXAWRUMEXDDPJK-UKTHLTGXSA-N 472.678 6.252 10 50 JKCA Cc1cccc([C@H]2c3ccc(O)c(O)c3O[C@]34NC(=S)N[C@@H](c5cccc(C)c5)[C@@H]3CCC[C@H]24)c1 248091501 MOKMXDVHASCMMM-OZKGUVOTSA-N 486.637 5.571 10 50 JKCA O=C1/C(=C\c2ccc(F)c(Br)c2)SC(=S)N1c1cccc(C(F)(F)F)c1 13942546 WPPJQULDWRJLAO-VGOFMYFVSA-N 462.287 6.013 10 50 JKCA O=C1/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)SC(=S)N1CCCc1ccccc1 9296083 YKTWIDVZUUDDRH-ULJHMMPZSA-N 490.606 6.008 10 50 JKCA Cc1[nH]c2ccc(Br)cc2c1/C=C1\C(=O)N(c2ccc(F)cc2)C(=S)N=C1O 38169731 OHZLUUMXKGGEEU-SXGWCWSVSA-N 458.312 5.050 10 50 JKCA Cc1ccc(N2C(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3ccccc3)SC2=S)cc1 2060992 UAJFPWUFKVBFFY-KQWNVCNZSA-N 453.592 6.254 10 50 JKCA COc1cc(/C=C2/C(=O)N(c3ccc(Br)cc3)N=C2C)ccc1OC(=O)c1cccs1 8496954 FQHQOLCADMRZFY-LDADJPATSA-N 497.370 5.545 10 50 JKCA Cc1ccc(N2CCN(C3=NC(=O)/C(=C\c4ccc(-c5ccccc5)o4)S3)CC2)cc1Cl 9291730 NMTBIGZSIFXINU-XQNSMLJCSA-N 463.990 5.701 10 50 JKCA O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccc(-c2ccc(Br)cc2)o1 15799051 LFYLGVGPVMPEJE-UHFFFAOYSA-N 472.294 5.737 10 50 JKCA N=C1/C(=C/c2ccc(OCc3ccccc3[N+](=O)[O-])cc2)C(=O)N=C2SC(Cc3ccccc3)=NN12 22241587 BRTZRCFLWCLVJA-PAMLCIOASA-N 497.536 5.036 10 50 JKCA COc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Cl)c1OCCCOc1ccc(C)c(C)c1 22257330 NZWFZKDYUVORDZ-DEDYPNTBSA-N 478.035 5.644 10 50 JKCA O=C1N=C(N2CCN(c3cccc(Cl)c3)CC2)S/C1=C/c1ccccc1OCc1ccccc1 2310719 IKGRTVINUHOAHM-KOEQRZSOSA-N 490.028 5.712 10 50 JKCA CCC(/C=C1\Sc2ccc(OC)cc2N1CC)=C1\C(=O)N(c2ccc(Cl)cc2)N=C1C 19912227 NIGZPTWLFGMEJW-AEZORCAGSA-N 453.995 6.251 10 50 JKCA O=C(O)[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccccc2OCc2ccc(Cl)cc2)SC1=S 32694358 QWRYEAOYHDHZGG-QJUACMODSA-N 496.009 5.946 10 50 JKCA COc1cc(/C=C2/C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C(=O)N=C2O)ccc1O 1149366 MACJKKBRUHHLDU-UDWIEESQSA-N 478.888 5.140 10 50 JKCA CCN(CC)c1ccc(/C=C/C2=NN(c3ccccc3)[C@@H](c3ccc(N(CC)CC)cc3)C2)cc1 22007885 BZKRKPGZABEOSM-OHBRYSKOSA-N 466.673 7.400 10 50 JKCA CCCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(C)c2)SC1=S 33680267 CQVOIGXGBSPXSA-XQNSMLJCSA-N 477.655 6.248 10 50 JKCA CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4ccc(Cl)c(Cl)c4)cc3)C2=O)cc1 16193647 VUGASFXWWQRVBY-BKUYFWCQSA-N 495.362 5.801 10 50 JKCA CCOc1ccc(S(=O)(=O)Nc2sc3c(c2C(N)=O)CCCCCCCCCC3)cc1 2112218 VTIUEDXVKWLTDX-UHFFFAOYSA-N 464.653 5.266 10 50 JKCA N=C1/C(=C/c2ccc(OCc3cccc4ccccc34)cc2)C(=O)N=C2SC(C(F)(F)F)=NN12 9113022 GSYJKGSGLCRKJB-WKLXBDMHSA-N 480.471 5.600 10 50 JKCA CC(C)CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C(C)C)C2=O)cc1 13810167 YHVOKLDGOASKGG-JLPGSUDCSA-N 491.682 6.574 10 50 JKCA CCOc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OC(=O)c1ccccc1Cl 22497114 PJGRVMOXOWXNPA-BKUYFWCQSA-N 499.997 5.952 10 50 JKCA CCN1C(=O)/C(=C/c2ccc(OCCOc3ccc(Br)cc3)cc2)SC1=S 2993632 JSXBZSUHLGKXOE-AQTBWJFISA-N 464.406 5.128 10 50 JKCA Oc1ccc(Br)cc1[C@@H]1Nc2ccccc2C(c2ccccc2)(c2ccccc2)O1 8854852 FAMRSEXKWMWQPC-RUZDIDTESA-N 458.355 6.588 10 50 JKCA Oc1ccc(Br)cc1[C@@H]1Oc2c(Cl)cc(Cl)cc2[C@@H]2CC(c3ccccc3)=NN21 25576380 DKOXKNWDFOGJHH-UGKGYDQZSA-N 490.184 6.704 10 50 JKCA CCOc1ccc2ccc(OCC)c(/C=C3\SC(=S)N(Cc4ccc(OC)cc4)C3=O)c2c1 8722194 POBFVUQJZSVFJC-IWIPYMOSSA-N 479.623 6.047 10 50 JKCA CCOc1cccc(CN2CCC(c3nc(-c4ccncc4)ncc3-c3cccc(C)c3)CC2)c1O 12278721 SNCCPNHQYFEHOI-UHFFFAOYSA-N 480.612 5.998 10 50 JKCA CCOc1cc(/C=C2/SC(=S)NC2=O)cc(Cl)c1OCCCOc1ccc(OC)cc1 15857352 LVZNMIAGSYWJNP-CPNJWEJPSA-N 480.007 5.084 10 50 JKCA CCCCN1C(=O)/C(=C2\SC(=S)N(C3CCCCC3)C2=O)c2cc(Br)ccc21 16731360 KTJDLPDZZFEXOY-ZCXUNETKSA-N 479.465 5.500 10 50 JKCA Cc1ccccc1OCCCOc1ccccc1/C=C1/SC(=S)N(Cc2ccccc2)C1=O 22257719 YLDARGAKQXKORG-XIEYBQDHSA-N 475.635 6.244 10 50 JKCA O=C1/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C(O)=NC(=S)N1Cc1ccc(F)cc1 1848089 GRNTYQGMZQBFAB-OEAKJJBVSA-N 469.541 5.496 10 50 JKCA Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)C2=O)c1 6886539 BIHYXCZXZXYUGB-RGVLZGJSSA-N 496.928 5.282 10 50 JKCA COc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc(Cl)c1OCc1ccccc1 16193412 VLIBFYWLXWTDJZ-BKUYFWCQSA-N 485.989 6.473 10 50 JKCA CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\c1c(C)nn(-c2cccc(Cl)c2)c1O 16667541 VFXAMSAGFCQISC-WQRHYEAKSA-N 471.742 5.108 10 50 JKCA O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2cccs2)SC(=S)N1Cc1ccccc1 1103753 UTMRWCVCSJXUAY-STZFKDTASA-N 459.621 6.002 10 50 JKCA COc1ccc2c(c1)S[C@H](c1ccc(F)cc1F)CCN2Cc1ccc(OCCO)cc1 12243488 DNDAZFXHVPXZDY-DEOSSOPVSA-N 457.542 5.588 10 50 JKCA O=C(CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1ccc2ccccc2c1 12377615 HSUSYXVCDFTVMW-RCCKNPSSSA-N 467.015 6.113 10 50 JKCA Cc1ccc(Oc2c(C(F)(F)F)oc3c(CN(CC(C)C)CC(C)C)c(O)ccc3c2=O)cc1C 19793919 VCSVQHZMOKREMA-UHFFFAOYSA-N 491.550 7.041 10 50 JKCA O=C1NC(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C(=O)/C1=C/c1cc2ccccc2[nH]1 2989419 QFQDRXVGWSGJID-KGENOOAVSA-N 471.900 5.067 10 50 JKCA O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)NC12CC3CC(CC(C3)C1)C2 8714006 CWANGXLVKHOAQN-GRSHGNNSSA-N 461.052 5.016 10 50 JKCA O=C(CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccc2ccccc2c1 8763434 MUGBKBWUXGNJSR-LTGZKZEYSA-N 466.653 6.302 10 50 JKCA CCCC1=NN2C(=N)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C(=O)N=C2S1 8836681 HJHCKDKYHNFMTQ-JBTBNTSXSA-N 488.323 5.037 10 50 JKCA COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CC(C)C)C2=O)cc1C 33413043 KOYHYYIFTSIHPO-LPYMAVHISA-N 463.628 5.714 10 50 JKCA Cc1cccc([C@H]2c3ccc(O)c(O)c3O[C@]34NC(=S)N[C@@H](c5cccc(C)c5)[C@H]3CCC[C@@H]24)c1 248091491 MOKMXDVHASCMMM-LGQAQBNXSA-N 486.637 5.571 10 50 JKCA COc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3c2cc(Cl)ccc2O)cc1 248187586 IYUSUDFJUNFIKI-REWPJTCUSA-N 485.765 6.059 10 50 JKCA CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)/C1=C/c1ccc(-c2cccc(C(=O)O)c2)o1 100934299 VVOJLQPEFDIWIA-MHWRWJLKSA-N 475.715 6.411 10 50 JKCA O=S1(=O)c2ccccc2-c2cc(-c3nc(-c4ccc(O)c(O)c4)[nH]c3-c3ccccc3)ccc21 6446743 CEDOVPLRIRRVER-UHFFFAOYSA-N 466.518 5.635 10 50 JKCA COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2F)c1C 14009297 JHCUCFLMPWIIMX-STZFKDTASA-N 490.531 5.128 10 50 JKCA CCN1C(=O)/C(=C\c2cc(Cl)c(OCCCOc3ccc(OC)cc3)c(OC)c2)SC1=S 22257335 BCNRTKFDSVNYRL-XSFVSMFZSA-N 494.034 5.426 10 50 JKCA O=C1/C(=C\c2cc(Br)cc([N+](=O)[O-])c2O)SC(=S)N1c1cccc(Cl)c1 59514495 KCDDEXRGQZENQZ-WLRTZDKTSA-N 471.741 5.122 10 50 JKCA COc1ccccc1NC(=O)CCCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 1218115 VMPJKRQQOGBXTK-AQTBWJFISA-N 491.432 5.078 10 50 JKCA COC(=O)c1ccccc1-c1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)o1 2992987 GPSINBNZFPQMDB-XDHOZWIPSA-N 489.496 6.158 10 50 JKCA Cc1ccc(/C=C2/SC(N3CCN(C(c4ccccc4)c4ccccc4)CC3)=NC2=O)cc1 22242175 UYOMLJABEYTILU-LKUDQCMESA-N 453.611 5.373 10 50 JKCA COc1cccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3[C@@H]3C=CC[C@@H]32)c1OC 1068072 AAUVXYKHBGERAS-OHUGHZGNSA-N 480.561 5.470 10 50 JKCA CCOc1cc(/C=C2/C(=O)NN(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCc1ccccc1 22276274 IUHHKGRKEFQMKQ-JAIQZWGSSA-N 483.351 5.433 10 50 JKCA Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccccc1C(F)(F)F 1154594 OWCRELCKFQEPAH-WOJGMQOQSA-N 487.865 5.433 10 50 JKCA COc1cc(/C=C2\SC(=S)NC2=O)cc(Cl)c1OCCOc1cc(C)ccc1C(C)C 2993924 JMMFKDLAAAMUBJ-NDENLUEZSA-N 478.035 5.727 10 50 JKCA COc1ccc(N2C(=O)/C(=C\c3cccc(OCc4ccccc4[N+](=O)[O-])c3)SC2=S)cc1 9310363 AYBOQXYTKPMBIR-HYARGMPZSA-N 478.551 5.588 10 50 JKCA Cc1cc(OCCOc2ccc(Br)cc2/C=C2\SC(=S)NC2=O)ccc1Cl 13899020 DTFROMNDFLZFOG-YVLHZVERSA-N 484.824 5.358 10 50 JKCA COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCCOc1cc(C)ccc1C(C)C 2962206 JEPSODIXUYQCTO-HYARGMPZSA-N 457.617 5.416 10 50 JKCA O=C1/C(=C/c2cc([N+](=O)[O-])ccc2OCc2ccccc2)SC(=S)N1c1cccc(Cl)c1 3461394 HJAJTQYJBITFIB-MTJSOVHGSA-N 482.970 6.233 10 50 JKCA COc1cc([C@H](Nc2ccccn2)c2cc(Cl)c3cccnc3c2O)cc(Br)c1O 19849911 WSPTWHGPLHCGCH-IBGZPJMESA-N 486.753 5.667 10 50 JKCA CCOC(=O)c1c(C)sc(C(c2ccccc2)c2sc(C)c(C(=O)OCC)c2O)c1O 12413790 BFJZDIAOHCDEIM-UHFFFAOYSA-N 460.573 5.371 10 50 JKCA CCCCCN1C(=O)/C(=C2\SC(=S)N(C3CCCCC3)C2=O)c2cc(Br)ccc21 16731939 ZLHPRGYZISZXRC-HNENSFHCSA-N 493.492 5.890 10 50 JKCA O=C(O)[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccccc2OCc2ccc(Cl)cc2)SC1=S 32694359 QWRYEAOYHDHZGG-AMUNLKFJSA-N 496.009 5.946 10 50 JKCA Cc1c(O)c(CN2CCCC3=C[C@H]4C[C@@H](CN5CCCC[C@H]45)[C@@H]32)cc2c(-c3ccccc3)cc(=O)oc12 409413519 INEPBNWDIOGOER-UUOQNFNMSA-N 496.651 5.869 10 50 JKCA biogenic CCN1C(=O)/C(=C/C=C2\N(C)c3cc(Oc4nc5ccccc5s4)ccc3N2CC)SC1=S 685944647 KUKAGNVQHWZJED-AYRZQKSOSA-N 494.667 5.970 10 50 JKCA COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cc(Br)ccc2O)cc1 6925022 ADTALBIGUNGUOD-NFBKMPQASA-N 451.320 5.406 10 50 JKCA O=C(O)[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)SC1=S 8763359 WZGLGUGTQWIPDE-GQEMFKIVSA-N 455.944 5.627 10 50 JKCA COc1ccccc1[C@@H](CCN(Cc1ccc(N(C)C)cc1)C(C)=O)[C@H]1CCOC(C)(C)C1 9968615 WWIWRKVMHGAVAS-ZCYQVOJMSA-N 452.639 5.489 10 50 JKCA Cc1cc(/C=C2/C(=O)NC(=S)N(CCC3=CCCCC3)C2=O)c(C)n1-c1ccc(Cl)cc1 13514629 IRWNTGIOZDRMRX-JCMHNJIXSA-N 468.022 5.265 10 50 JKCA COc1ccccc1OCCCOc1ccc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc1 16192799 URBLKASQUSDDEM-ULJHMMPZSA-N 495.597 6.088 10 50 JKCA CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 22215332 ZPVPSAFVTNXQSR-YBFXNURJSA-N 468.427 6.192 10 50 JKCA Cc1ccc(N2C(=O)/C(=C/c3cn(Cc4cccc(F)c4)c4ccccc34)C(=O)N(C)C2=S)cc1 680400 CSTYFABJFVUZGK-BUVRLJJBSA-N 483.568 5.311 10 50 JKCA CCN1CCN(Cc2c(O)ccc3c(=O)c(Oc4cc(C)cc(C)c4)c(C(F)(F)F)oc23)CC1 19791760 HZGGVGQQBZKOLA-UHFFFAOYSA-N 476.495 5.064 10 50 JKCA biogenic O=C(O)[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)SC1=S 32694367 NFNCRYJJVRVYMC-AMUNLKFJSA-N 496.009 5.946 10 50 JKCA COc1ccc2c(c1)S[C@H](c1cccc(C(F)(F)F)c1)CCN2Cc1cccc(OC)c1OC 12217744 KANMJBUBUWXGDH-QHCPKHFHSA-N 489.559 6.975 10 50 JKCA C[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S 13775104 DMRBMPOBFOXPHB-HMHKGCENSA-N 460.407 7.216 10 50 JKCA O=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC(=S)N1Cc1cccnc1 6456782 CMXSLOJBYKQOQS-FBHDLOMBSA-N 487.433 6.369 10 50 JKCA Cc1ccc(C)c(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(Cc3ccco3)C2=O)c1 1177458 NHRZDPNZYBCADS-UCQKPKSFSA-N 471.607 6.151 10 50 JKCA COc1cc(/C=C2/SC(=S)N(Cc3ccco3)C2=O)ccc1OC(=O)c1ccc(Cl)cc1 1455262 JNURQUUJDUGCTO-UDWIEESQSA-N 485.970 5.562 10 50 JKCA CC[C@H](C)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2c(C)cc(C)cc2C)SC1=S 2195665 IEUPTAVCTLOQNB-MAGMUUGSSA-N 461.656 6.464 10 50 JKCA COc1cccc(CN2CCC([C@@H](Cc3ccccc3F)N(C)C(=O)c3ccsc3)CC2)c1O 15000252 BFRCOEORJMPPLS-XMMPIXPASA-N 482.621 5.197 10 50 JKCA CC(C)CN1C(=O)/C(=C2/C(=O)N(Cc3ccccc3)c3ccc(Br)cc32)SC1=S 16732225 LMLCLHKUJRZWEH-HNENSFHCSA-N 487.444 5.223 10 50 JKCA COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)N(Cc1cc([N+](=O)[O-])ccc1O)CC2 1193522 MKQIARGPLSYWTL-XMMPIXPASA-N 454.910 5.119 10 50 JKCA CC(C)(C)c1ccc(Oc2cc(Nc3ccccc3)c3c4c(onc24)-c2ccccc2C3=O)cc1 2071357 RUFPGGJXWPYDIC-UHFFFAOYSA-N 460.533 7.873 10 50 JKCA CCc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3cc(Cl)cc(Cl)c3)C2=O)cc1 2281997 OVTKRJXPWUAAMS-VXLYETTFSA-N 479.454 6.176 10 50 JKCA COc1cc([C@H](Nc2cc(C)ccn2)c2ccc3cccnc3c2O)ccc1OCc1ccccc1 15016415 ZZSYTNOJTJSZIW-NDEPHWFRSA-N 477.564 6.433 10 50 JKCA Cc1ccccc1C1=NN2C(=N)/C(=C/c3cccc(OC(=O)c4ccccc4F)c3)C(=O)N=C2S1 16247476 WEVFSBRRIPDMSE-YYXRKYKDSA-N 484.512 5.021 10 50 JKCA O=C(CN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)Nc1cccc2ccccc12 1217615 XUMVOHPNFJELSZ-UNOMPAQXSA-N 483.412 5.442 10 50 JKCA C[C@@H]1CCCCN1Cc1c(O)ccc2c(=O)c(-c3cccc(Cl)c3)c(C(F)(F)F)oc12 1747811 AKGLHHYPQRRQMH-CYBMUJFWSA-N 451.872 6.212 10 50 JKCA O=C(O)c1cc(-c2ccc(/C=C3\SC(=S)N(Cc4cccnc4)C3=O)o2)ccc1Cl 2986403 ULYKMUAVDIFCPY-NVMNQCDNSA-N 456.932 5.095 10 50 JKCA CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)o1 13751438 WVPHCSDYFGBOED-XLNRJJMWSA-N 456.502 5.651 10 50 JKCA CCN(CC)c1ccc([C@@H]2Nc3ccc(Br)cc3-c3nnc(SC)nc3O2)cc1 2086916 GGXLXWMVJWOMBF-LJQANCHMSA-N 472.412 5.372 10 50 JKCA Oc1ccc(Br)cc1[C@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3cccs3)=NN21 8439906 AIUAWDOZDBKOTF-OXJNMPFZSA-N 461.768 6.112 10 50 JKCA COc1ccc(-n2c(C)cc(/C=C3/SC(=S)N(c4ccc([N+](=O)[O-])cc4)C3=O)c2C)cc1 9311763 MDZYNAJYLWNTGK-FYJGNVAPSA-N 465.556 5.417 10 50 JKCA CCOc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OC(=O)c1cccs1 15012041 DEVVKWHVWUSAMK-KGENOOAVSA-N 481.620 5.767 10 50 JKCA O=C1N=C(O)/C(=C\c2ccc(OCc3ccccc3F)c(Cl)c2)C(=O)N1c1ccccc1 1174975 IZWBEQUEGHQKSX-LDADJPATSA-N 450.853 5.565 10 50 JKCA O=C1/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(O)=NC(=S)N1c1ccc(Br)cc1 1205470 SVMDQAFKIHAHFV-BOPFTXTBSA-N 498.314 5.289 10 50 JKCA Cc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)C2=O)cc1 15723474 YBEAEJVYDYSFMW-GZTJUZNOSA-N 450.834 5.113 10 50 JKCA O=C1/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)SC(=S)N1C1CCCCC1 2185222 ZMHRNLHLROMCQS-OEAKJJBVSA-N 477.611 6.132 10 50 JKCA Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccccc4C(F)(F)F)c3C)C2=O)c1C 2994380 YDCALHUBTKPAFL-CPNJWEJPSA-N 481.474 5.396 10 50 JKCA Cc1ccccc1N1CCN(CN2C(=O)/C(=C/c3ccc(C(C)C)cc3)SC2=S)CC1 15799778 OIELDLGRRAZWSA-KQWNVCNZSA-N 451.661 5.099 10 50 JKCA CCOc1cc(/C=C2/C(=N)N3N=C(c4ccccc4)SC3=NC2=O)ccc1OCc1ccccc1 15800636 VUSBKTCATMMHJD-NHQDZBNKSA-N 482.565 5.332 10 50 JKCA Cc1ccc(OCCOc2ccc(/C=C3\SC(=S)N(Cc4ccco4)C3=O)cc2)cc1 16267445 AJRUAVDTSOYNIP-JCMHNJIXSA-N 451.569 5.447 10 50 JKCA C[C@H]1CN(Cc2c(O)ccc3c(=O)c(Oc4ccccc4Cl)c(C(F)(F)F)oc23)C[C@H](C)O1 19793023 NFUMCZIDIFZIKQ-STQMWFEESA-N 483.870 5.572 10 50 JKCA Cc1cc(C(F)(F)F)nn1CC(=O)N1N=C(c2ccc3ccccc3c2)C[C@@H]1c1ccccc1O 654254 YWRSCXIXVSUELH-JOCHJYFZSA-N 478.474 5.447 10 50 JKCA COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OCc1ccc(C)cc1 2856546 ZNYJCLVOLKLPIX-BUVRLJJBSA-N 461.608 5.984 10 50 JKCA COc1cc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)cc(Cl)c1OCCOc1cc(C)ccc1C 9434416 ITBHACSHDZISSI-BWBREFNUSA-N 498.992 5.062 10 50 JKCA CCOC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N3C[C@@H]1CC=C[C@H]21 239425710 VAYWOFYVTSXXCF-VSALZBCGSA-N 476.414 6.520 10 50 JKCA COc1ccc(Br)cc1/C=C1/SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O 2050665 ZROJOPKMQVWPQY-OVCLIPMQSA-N 474.323 5.882 10 50 JKCA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@H](C)CC)C2=O)cc1C 2369649 MZQOUTHVZKVBCP-VKINRBECSA-N 491.682 6.636 10 50 JKCA CCCCCCN1C(=O)/C(=C2\SC(=S)N([C@@H](C)CC)C2=O)c2cc(Br)ccc21 16731818 XZXSFBHPABXAGL-FKEVTRRJSA-N 481.481 5.746 10 50 JKCA COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc(Cl)c1OCc1ccc(C)cc1 2863939 KPFYQRJVORQKGT-OEAKJJBVSA-N 496.053 6.637 10 50 JKCA COC(=O)c1c(C)sc(C(c2ccc(SC)cc2)c2sc(C)c(C(=O)OC)c2O)c1O 12372135 CLGWOJDHXMPOOY-UHFFFAOYSA-N 478.613 5.313 10 50 JKCA COc1cc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@@H]3C=CC[C@@H]32)cc(Br)c1OC 59267177 XYHKYEBAJQBIPV-NQCMUKECSA-N 455.179 6.600 10 50 JKCA CCCCOc1ccc(/C=C2/SC(N3CCN(c4ccc(C)c(Cl)c4)CC3)=NC2=O)cc1 2315951 URXMFQQHUAYNDV-XQNSMLJCSA-N 470.038 5.620 10 50 JKCA CC[C@@H](C)c1ccc(OCCOc2ccc(Br)cc2/C=C2\SC(=S)NC2=O)cc1 13940033 XTIHNLAVUFYXSG-KELUXRKGSA-N 492.460 5.909 10 50 JKCA CCOc1cccc(CN2CCC([C@H](Cc3ccccc3Cl)N(C)C(=O)c3ccco3)CC2)c1O 14979715 KDNXAJJNAUXEQX-DEOSSOPVSA-N 497.035 5.633 10 50 JKCA CC[C@H](C)c1ccc(OCCCOc2c(/C=C3/SC(=S)N(CC)C3=O)cccc2OC)cc1 22257847 OICJCZRPDLFEAC-LWJGVMBGSA-N 485.671 6.278 10 50 JKCA CCCCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)SC1=S 25581359 GEULNPJBSGISBC-CJLVFECKSA-N 492.626 6.229 10 50 JKCA COC(=O)C[C@H]1c2cc3ccccc3nc2Oc2c(O)c(O)c3c(=O)cc(-c4ccccc4)oc3c21 218112553 SLMHAGRPZUVORZ-INIZCTEOSA-N 481.460 5.220 10 50 JKCA biogenic O=C(Oc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1Cl)c1cccs1 1118682 AVAZJTYCRUQZRB-PDGQHHTCSA-N 457.985 6.027 10 50 JKCA COCCN1C(=O)/C(=C/c2ccc(OCc3ccc(C)cc3)c(Br)c2)SC1=S 9295912 NPUVKTURDFMICH-UNOMPAQXSA-N 478.433 5.184 10 50 JKCA CCOc1ccc(NC(=O)CCCN2C(=O)/C(=C\c3ccc(CC)cc3)SC2=S)cc1 22228664 BOBIDEKSCMRRMU-LTGZKZEYSA-N 454.617 5.268 10 50 JKCA CCOc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCCCOc1c(C)cccc1C 22257449 GTFXIRMVADAPGC-RCCKNPSSSA-N 457.617 5.381 10 50 JKCA O=C(CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1ccc(Cl)c(Cl)c1 2305663 UYSPHHIWCPWGIF-YVLHZVERSA-N 485.845 6.267 10 50 JKCA N=C1/C(=C/c2cccc(OC(=O)c3cccs3)c2)C(=O)N=C2SC(C3CCCCC3)=NN12 16247577 PYPVSFPJXXKGRS-MGTNDIQKSA-N 464.572 5.167 10 50 JKCA O=C(c1ccccn1)N(C1CC1)[C@@H](Cc1ccccc1)C1CCN(Cc2cc(Cl)ccc2O)CC1 20271946 QBMWIKWWEBEPNC-MHZLTWQESA-N 490.047 5.569 10 50 JKCA COc1ccc(N2CCN(C(=O)c3cc(-c4cccnc4)nc4c(C)c(Cl)ccc34)CC2)cc1 1073653 MKWPGKXMNSREFU-UHFFFAOYSA-N 472.976 5.230 10 50 JKCA Cc1cc(/C=C2/C(=O)N(c3cccc(Cl)c3)C(=S)N=C2O)c(C)n1-c1ccc2c(c1)OCO2 1128129 ZAWSMUHHJYHMBF-DJKKODMXSA-N 479.945 5.148 10 50 JKCA O=C1/C(=C2\SC(=S)N(C3CCCC3)C2=O)c2ccccc2N1Cc1ccccc1Cl 16700969 WQWSHERQAZUPRF-VXPUYCOJSA-N 455.004 5.401 10 50 JKCA O=C1/C(=C2/C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)SC(=S)N1CCc1ccccc1 16700975 XULCBZHRNDYCJX-FCQUAONHSA-N 491.037 5.701 10 50 JKCA Cc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc(C)cc3)c3ccccc23)cc1 1234501 KSXCVCQCFBBFLL-UHFFFAOYSA-N 466.584 5.058 10 50 JKCA CCC1=NN2C(=N)/C(=C\c3cn(Cc4ccc(Cl)cc4Cl)c4ccccc34)C(=O)N=C2S1 9113688 DHRYYMOAFAFZDJ-JIIXTDPJSA-N 482.396 6.026 10 50 JKCA COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OC(=O)c1ccc(F)cc1 16196083 CCTUNVQJKHNCQV-HMAPJEAMSA-N 479.554 5.455 10 50 JKCA Cc1ccc(C)c(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c1 13785696 ITDBCRWUFKNPGV-KUOTXRDYSA-N 475.639 5.536 10 50 JKCA CCOc1cc(/C=C2/C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)ccc1OCc1ccccc1 15837939 OSLVCYNEUPHEQH-CSEHATQYSA-N 496.592 5.526 10 50 JKCA Cc1ccccc1C1=NN2C(=N)/C(=C/c3ccc(OCc4ccccc4)cc3)C(=O)N=C2S1 15855877 APBVFONBBIOIMQ-KLUMOMIWSA-N 452.539 5.241 10 50 JKCA COc1ccc(CCN2C(=O)/C(=C/c3c(Cl)cccc3Cl)SC2=S)cc1OC 1191602 ISISDBIAAGQCDP-WQRHYEAKSA-N 454.400 5.455 10 50 JKCA CC[C@H](C)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)SC1=S 2373685 ZKOJYDPMHSANEE-HYTQYMIGSA-N 498.471 6.302 10 50 JKCA Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ncc(Cc4ccccc4)s3)C2=O)cc1 8766307 GZGVBTRUMCXWLA-QNGOZBTKSA-N 493.679 5.662 10 50 JKCA COc1ccc(N2CCN(C(=O)c3cc(-c4cc(C)sc4C)nc4ccc(Cl)cc34)CC2)cc1 16392691 HLOGXKBXQINYQP-UHFFFAOYSA-N 492.044 6.205 10 50 JKCA COc1cccc(OCCCOc2ccc(/C=C3\SC(=S)N(c4ccc(F)cc4)C3=O)cc2)c1 16193214 ULNBCRBNECHWJP-JLPGSUDCSA-N 495.597 6.088 10 50 JKCA CCCCCN1C(=O)/C(=C2/C(=O)N(CC(=O)Nc3ccc(C)cc3C)c3ccccc32)SC1=S 16729761 FOIYFDDEAMRFJJ-FCQUAONHSA-N 493.654 5.050 10 50 JKCA CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)c(Cl)c1 105478093 NMRTVCMFXSPTDV-YBFXNURJSA-N 485.754 6.672 10 50 JKCA CCOc1c(Br)cc(/C=C2\SC(=S)N(CCCc3ccccc3)C2=O)cc1OC 2814845 KDSIKYGXTLUCJK-RGEXLXHISA-N 492.460 5.690 10 50 JKCA N=C1/C(=C/c2ccccc2OCc2cccc3ccccc23)C(=O)N=C2SC(C(F)(F)F)=NN12 2985420 BAIBLXOOKFWJTM-ACIFXTKISA-N 480.471 5.600 10 50 JKCA O=C1/C(=C/c2cc(Cl)c(O)c(Cl)c2)SC(=S)N1c1ccc(Cl)cc1Cl 3001286 FSLJJHYOWVJWOD-ACAGNQJTSA-N 451.183 6.412 10 50 JKCA COc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3c(C)cc(C)cc3C)C2=O)cc1OC 16116038 IUYQUEOOTJBBCE-KGENOOAVSA-N 484.643 5.249 10 50 JKCA CCc1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3Cl)C2=O)c1C 1150270 WDFUAMNGUJSUBL-XDHOZWIPSA-N 482.367 5.630 10 50 JKCA COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OC(=O)c1cccs1 101435895 JKRPEAPUTDRVJV-GZTJUZNOSA-N 452.919 5.435 10 50 JKCA COc1cc(-c2c3cn[nH]c3nc3c2oc2c(O)c(O)ccc23)ccc1OCCc1ccccc1 218341793 ABGYELDQUXGGIL-UHFFFAOYSA-N 467.481 5.566 10 50 JKCA Cc1cc2c3c(c1)[C@@](C)(c1ccc(Cl)cc1)CC(C)(C)N3C(=O)/C2=C1\SC(=S)NC1=O 1848442853 LQOFOHDZLFEYGC-SWXYAQJLSA-N 469.031 5.342 10 50 JKCA CC[C@@H](C)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)SC1=S 2373680 ZKOJYDPMHSANEE-CTFRJJSNSA-N 498.471 6.302 10 50 JKCA CN1C(=O)/C(=C\c2cc(Cl)cc(Cl)c2OCCCOc2ccc(Cl)cc2)SC1=S 6574787 OPQXYSWUTLZESF-LICLKQGHSA-N 488.845 6.326 10 50 JKCA Cc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3cccc(Cl)c3Cl)C2=O)cc1 13801712 IEWSCOKCTSWDGO-WJDWOHSUSA-N 451.400 5.532 10 50 JKCA COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OC(=O)c1ccccc1Cl 16267558 QGLAQAVMZREDDM-NDENLUEZSA-N 485.970 5.562 10 50 JKCA CC[C@@H](C)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c([N+](=O)[O-])c2)SC1=S 1817507 PSNIEYDQVSLOHG-PJMHOZITSA-N 494.598 5.456 10 50 JKCA COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1F 16266520 UEPGJBSHKYHUST-CVHFWEDTSA-N 495.601 5.067 10 50 JKCA O=C1/C(=C/c2c3ccccc3cc3ccccc23)SC(=S)N1c1cccc(C(F)(F)F)c1 2050668 MZIJVGODJWGOJG-HMAPJEAMSA-N 465.521 7.418 10 50 JKCA COc1cc(/C=C2/SC(=S)NC2=O)cc(Cl)c1OCCCOc1ccc(C)cc1C 2874056 SUGJGSVVBHWILU-XDHOZWIPSA-N 464.008 5.302 10 50 JKCA CCOC(=O)c1ccc(NC(=O)CCCCCN2C(=O)/C(=C\c3cccs3)SC2=S)cc1 8763430 IWRUEGHRYFMQMS-XDJHFCHBSA-N 488.656 5.325 10 50 JKCA COc1cc(/C=C2\SC(=S)N(c3cccc(C(=O)O)c3)C2=O)ccc1OCc1ccccc1 1777291 IOSCIGCGZULBKI-XKZIYDEJSA-N 477.563 5.378 10 50 JKCA O=C1/C(=C/c2ccc(OCc3cccc4ccccc34)cc2)SC(=S)N1Cc1cccnc1 6457518 XQSVKGINSKWKEL-MYYYXRDXSA-N 468.603 6.215 10 50 JKCA O=C1/C(=C\c2ccc(I)cc2)SC(=S)N1c1cccc2ccccc12 8721788 WLZJIVZPBCLFPE-LDADJPATSA-N 473.360 5.850 10 50 JKCA COc1cc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)ccc1OCc1ccc(Cl)cc1 15799331 DFCAQLHWVDYUGV-UHFFFAOYSA-N 497.934 5.955 10 50 JKCA O=c1c(Oc2ccc3ccccc3c2)c(C(F)(F)F)oc2c(CN3CCOCC3)c(O)ccc12 19791838 QXBGDZDJNAUNPL-UHFFFAOYSA-N 471.431 5.295 10 50 JKCA Cc1cc(-c2ccc(/C=C3/SC(Nc4ccc(Cl)c(C(=O)O)c4)=NC3=O)o2)c([N+](=O)[O-])cc1C 33909199 RTHRCOIONCZINZ-KEBDBYFISA-N 497.916 5.906 10 50 JKCA in-vitro COc1ccc(N2C(=O)/C(=C/c3ccc(O)c(Br)c3)SC2=S)cc1Cl 1136240 CQSGFKYGFZSPOE-CHHVJCJISA-N 456.770 5.223 10 50 JKCA c1ccc(Cn2c(/N=N\Nc3nc4ccccc4n3Cc3ccccc3)nc3ccccc32)cc1 3876481 WOTXKMQSYPUMBK-UHFFFAOYSA-N 457.541 6.593 10 50 JKCA CCN1C(=O)/C(=C\c2cc(Cl)c(OCCCOc3c(C)cccc3C)c(OC)c2)SC1=S 6470391 GZNAUDPGCOGZMY-XSFVSMFZSA-N 492.062 6.034 10 50 JKCA CCOc1cc(/C=C2\C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)cc(Cl)c1OCc1ccccc1 12285083 XDIHEFCQICLTSE-XKZIYDEJSA-N 490.943 5.822 10 50 JKCA COc1ccc(Cl)c2c1N[C@H](c1cc(Br)c(OC)c(OC)c1)[C@@H]1CC=C[C@H]21 15227917 ILPDQYFUSKJDHT-XEKQOVJPSA-N 450.760 5.955 10 50 JKCA O=C(N[C@H](Nc1ccc(/N=N/c2ccccc2)cc1)C(Cl)(Cl)Cl)c1cccc(Cl)c1 15229498 ZRZLDLJTINYDLF-SHKWJFPUSA-N 482.198 7.294 10 50 JKCA CCCCCN1C(=O)/C(=C\c2cc(-c3cc(C(C)C)ccc3C)nn2-c2ccccc2)SC1=S 25503936 PXCJKTXXXNIKEO-NLRVBDNBSA-N 489.710 7.363 10 50 JKCA O=C(COc1ccccc1)N[C@@H](Nc1ccc(/N=N/c2ccccc2)cc1)C(Cl)(Cl)Cl 25586248 CBJMOHMLEGRGAN-PNCZSKEESA-N 477.779 6.405 10 50 JKCA CC1=NN(c2nc(-c3ccc(Br)cc3)cs2)C(=O)[C@@H]1/N=N/c1cccc(O)c1 100505525 GJXYPAQFQVILJQ-DUPNKOKHSA-N 456.325 5.153 10 50 JKCA CCN1C(=O)/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)SC1=S 1158930 PAWZPNDHHSHXJI-MFOYZWKCSA-N 484.477 5.636 10 50 JKCA COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OC(=O)c1ccc(F)cc1 2029821 XITLRNUPSAIDPF-KGENOOAVSA-N 465.527 5.459 10 50 JKCA O=C1/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)SC(=S)N1c1cccc(F)c1 8952236 DYMVAORUPXJGFD-VCHYOVAHSA-N 460.895 6.053 10 50 JKCA CN1C(=O)/C(=C\c2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc23)SC1=S 9310225 SAPODOVPNXBPEY-RGVLZGJSSA-N 460.407 6.557 10 50 JKCA CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCCC)C2=O)cc1 13800259 JWOMTGCMNZUDDC-MOHJPFBDSA-N 491.682 6.720 10 50 JKCA Cc1ccc(SCC2=NN(c3ccccc3)C(=O)/C2=C\c2c[nH]nc2-c2ccccc2)cc1 16212907 HJFLDLCPVKOWCZ-JLPGSUDCSA-N 450.567 5.964 10 50 JKCA COCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC1=S 2533003 SPRVOALCYHAPND-UYRXBGFRSA-N 455.992 5.040 10 50 JKCA COC(=O)c1ccccc1-c1ccc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)o1 2989968 FIBNNHLUDSIDKC-XDHOZWIPSA-N 466.496 5.047 10 50 JKCA CCN1C(=O)/C(=C\c2ccc(OCc3ccc(Br)cc3)c(OC)c2)SC1=S 6470527 MSZBCDKVCHDKBA-WOJGMQOQSA-N 464.406 5.258 10 50 JKCA COc1ccc(N2CCN(C(=O)c3ccc(CSc4ccc(Cl)cc4)cc3)CC2)cc1 9283516 NFMOGDWCPMGYIF-UHFFFAOYSA-N 453.007 5.603 10 50 JKCA COC(=O)c1c(C)sc(C(c2ccc(C(C)C)cc2)c2sc(C)c(C(=O)OC)c2O)c1O 12372132 LNWYHAXGPFSGCZ-UHFFFAOYSA-N 474.600 5.714 10 50 JKCA CCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3CC[C@@H](C3=C(C)C)[C@H]2C(=O)O)sc2c1CC[C@@H](CC)C2 239425706 VAVYKRZJAZHPON-GFDPAEIDSA-N 459.608 5.071 10 50 JKCA O=C(O)CCCCCN1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)SC1=S 1805122 YISTWVWBROCIRX-SFQUDFHCSA-N 480.405 5.555 10 50 JKCA CCOc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C(O)=NC2=S)cc1 2302414 TXYSPMMLYFXWEO-SFQUDFHCSA-N 497.916 5.579 10 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475.635 5.959 10 50 JKCA CCOc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OC(=O)c1cccs1 16247428 JHMBMGRXYNXCAZ-STZFKDTASA-N 481.620 6.080 10 50 JKCA COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2 226973044 UWRQOBHLDFNQBV-UMEGOILYSA-N 470.481 5.427 10 50 JKCA CCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC)cc2C)SC1=S 2374275 OERAGTLXYKMZKY-ULJHMMPZSA-N 491.682 6.638 10 50 JKCA Cc1ccc(N2C(=O)N=C(O)/C(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)C2=O)cc1Cl 16182819 GHIJPHMCSBKRNI-MTJSOVHGSA-N 491.887 5.642 10 50 JKCA CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C3CCCC3)C2=O)c(C)c1 16700770 FNUXOXKQAUHXNI-JLPGSUDCSA-N 489.666 6.390 10 50 JKCA O=C(O)c1cc(-c2ccc(/C=C3\SC(=O)N(c4cccc(Cl)c4)C3=O)o2)ccc1Cl 2164834 FMXOHDXXDBKEGV-ZDLGFXPLSA-N 460.294 6.193 10 50 JKCA O=C(O)CCCCCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S 8872266 AGUOUOJPSSXTET-GZTJUZNOSA-N 470.399 6.100 10 50 JKCA COc1ccc(OCCOc2ccccc2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1 13939941 MTBMVVYJRDWRNN-ULJHMMPZSA-N 477.607 5.554 10 50 JKCA COc1ccc(N2CCN(C(=O)c3cc(-c4ccc(C)c(C)c4)nc4ccc(C)cc34)CC2)cc1 20407645 DMWUHEPMUAHZFM-UHFFFAOYSA-N 465.597 5.798 10 50 JKCA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCCOC)C2=O)cc1 33431489 DPFFODOMZFRQHD-HAVVHWLPSA-N 493.654 5.566 10 50 JKCA Cc1cccc(OCCOc2ccccc2/C=C2\SC(=S)N(c3ccccc3F)C2=O)c1 3000444 JRHMSNLSECBGOY-KQWNVCNZSA-N 465.571 5.998 10 50 JKCA COc1cc(/C=C2/C(=O)N(Cc3ccccc3)C(=O)N=C2O)ccc1OCc1cccc2ccccc12 16193557 CRGCYZGMCHHQEW-PCLIKHOPSA-N 492.531 5.930 10 50 JKCA O=C1/C(=C/NCc2ccco2)C(CSc2ccc(Cl)cc2)=NN1c1nc2ccccc2s1 100401886 CTWVFBVJVKRZEU-QGOAFFKASA-N 481.002 5.711 10 50 JKCA COc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OCc1ccccc1 13799720 CBKIZQLCTANCTL-OHMBLGONSA-N 467.550 5.578 10 50 JKCA O=C1/C(=C/c2ccccc2OCCOc2ccccc2)SC(=S)N1c1cccc(Cl)c1 16193102 APWDEXGDBYXPTK-JCMHNJIXSA-N 467.999 6.204 10 50 JKCA CC[C@@H](C)c1ccccc1OCCCOc1ccc(/C=C2/SC(=S)N(CC)C2=O)cc1OC 22257401 BEFOBVPINSRVJA-ZDSQJECRSA-N 485.671 6.278 10 50 JKCA CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2ccc([N+](=O)[O-])cc2)N3)cc1 226791802 HRNHLSMYFXVRRX-JQYIIUTOSA-N 491.569 5.621 10 50 JKCA CCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(Cl)c(Cl)c3)C(C(=O)OC)=C2C)cc1 1161791 HSGOMFIPUHMVOI-BOPFTXTBSA-N 460.313 5.047 10 50 JKCA CCN(CC)Cc1c(O)ccc2c(=O)c(Oc3ccc4ccccc4c3)c(C(F)(F)F)oc12 1771779 RLOVVGPXWSSCKV-UHFFFAOYSA-N 457.448 6.305 10 50 JKCA CCOc1ccc(C2=C(/C=C3\SC(=S)NC3=O)[C@@H](c3ccccc3)c3ccccc3O2)cc1 13633046 DMRGHHCDPKFISP-ZBDCHNAPSA-N 471.603 6.053 10 50 JKCA COc1cc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)ccc1OCCOc1ccc(C)cc1 16115994 POFAOUMBEIEKIK-AKZCVUIYSA-N 492.601 5.127 10 50 JKCA CCN1C(=O)/C(=C\c2ccc(OCCCOc3cc(C)cc(C)c3)c(OC)c2)SC1=S 6470506 WZQJNWNRRDVFOX-PXLXIMEGSA-N 457.617 5.381 10 50 JKCA O=S(=O)(Nc1ccc(NS(=O)(=O)c2cccc3ccccc23)cc1)c1cccc2ccccc12 8835893 SPPDPJNNCRRRGV-UHFFFAOYSA-N 488.590 5.595 10 50 JKCA CCOC(=O)c1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)sc2c1CCCCCCCCCCC2 8455538 OYNOMTLDRSZHCB-RBUKOAKNSA-N 477.667 6.364 10 50 JKCA O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)SC(=S)N1Cc1ccccc1 33352181 XALGBALMECAJOX-HZHRSRAPSA-N 471.582 6.080 10 50 JKCA Cc1cc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C)C2=O)ccc1OCCC(C)C 2304267 YIBZZRGUFMQGBV-HAHDFKILSA-N 477.655 6.104 10 50 JKCA CCOc1cc(/C=C2\SC(=S)NC2=O)cc(Cl)c1OCCOc1ccc([C@H](C)CC)cc1 9553845 WCJIXYDEBFQVQU-XWCAUFEOSA-N 492.062 6.199 10 50 JKCA COc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccc(Cl)cc1 16192773 GCVJALPONNLTAI-XKZIYDEJSA-N 485.989 6.473 10 50 JKCA CCc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)cc1 16212450 AHIQYZFVPNKTRO-HAHDFKILSA-N 471.469 5.243 10 50 JKCA N=C1/C(=C/c2cccc(OC(=O)c3ccc(F)cc3)c2)C(=O)N=C2SC=C(c3ccccc3)N12 16247144 ILMGLRUIELOQJK-JRUOFFEZSA-N 469.497 5.349 10 50 JKCA CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 22275881 SSWKQIHIZFPUOU-XKZIYDEJSA-N 491.931 6.032 10 50 JKCA CCCCCN1C(=O)/C(=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)c2ccccc21 1808294 OSIQBCNFKNVFIA-HNENSFHCSA-N 487.444 5.762 10 50 JKCA CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1 2520514 WEDKCGYWMOXIAX-STZFKDTASA-N 493.610 5.004 10 50 JKCA CC[C@H](C)c1ccccc1OCCOc1ccc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)cc1OC 16115950 BDAMCHXNXVVLCD-XKHMTDKESA-N 492.601 5.306 10 50 JKCA O=C1NC(=S)S/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 2822586 KYTZFYKXEZDAQG-HZHRSRAPSA-N 469.591 5.607 10 50 JKCA CC[C@H](C)c1ccccc1OCCOc1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc1 22358272 IPXOJZFQFALHDS-SWVLWACCSA-N 498.579 5.320 10 50 JKCA O=C1/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(O)=NC(=S)N1c1cccc(Br)c1 1203729 WWUQZBQMTXNXSF-WJDWOHSUSA-N 498.314 5.289 10 50 JKCA O=C(CCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1ccc(-c2ccccc2)cc1 2971601 KMUCQRBRJRXHHG-HAHDFKILSA-N 488.590 5.312 10 50 JKCA CCN1C(=O)/C(=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)SC1=S 6470592 RJGYVHPAANPOFK-CXUHLZMHSA-N 454.451 5.627 10 50 JKCA CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 16183661 MQJLIOFWROMHJJ-GZTJUZNOSA-N 455.297 6.066 10 50 JKCA Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(Cl)cc1 653712 NUWDDSBYNXPKFP-RGVLZGJSSA-N 470.381 5.232 10 50 JKCA Oc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1CN1CCCC[C@@H]1CCN1CCCC1 44124573 GZKBHEJPMAZTGA-HSZRJFAPSA-N 465.041 6.178 10 50 JKCA COC(C)(C)c1cc2c(o1)c(CC=C(C)C)c(O)c1c(=O)c(-c3ccc(O)c(O)c3)coc12 1772820229 KPCKJJAGWJIIFY-UHFFFAOYSA-N 450.487 5.713 10 50 JKCA O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C/c1ccc(Sc2ccc(Cl)cc2)cc1 1134883 ZXIFJBNKTARBHR-QGOAFFKASA-N 452.894 5.297 10 50 JKCA CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC)C2=O)c(C)c1 2507792 XTDWGMAYWBIZSN-KQWNVCNZSA-N 477.655 6.248 10 50 JKCA CCCSc1nnc2c(n1)O[C@@H](c1cc(Br)cc(OCC)c1O)Nc1ccccc1-2 8435309 ODDISCURDKQYAM-IBGZPJMESA-N 489.395 5.411 10 50 JKCA COc1cc(/C=C2/C(=N)N3N=C(c4ccccc4)SC3=NC2=O)ccc1OCc1ccc(F)cc1 15800582 LKEHCJBRDGMPGF-DDSBZIKFSA-N 486.528 5.081 10 50 JKCA O=C1/C(=C\c2cc(Cl)ccc2OCc2ccc(F)cc2)SC(=S)N1Cc1ccccc1 22185048 CUZFFVSYTKUDGT-LPYMAVHISA-N 469.990 6.460 10 50 JKCA CCOc1cc(C(=O)Nc2ccc3oc(-c4ccc(N(C)C)cc4)nc3c2)cc(OCC)c1OCC 1212123 KHMDPQLQKZXEBO-UHFFFAOYSA-N 489.572 6.009 10 50 JKCA Cc1ccccc1/N=N/c1ccc(N[C@H](NC(=O)c2ccco2)C(=O)c2ccccc2)cc1C 13562878 XBXGFBORTDPYAL-YQIGTUNFSA-N 452.514 6.363 10 50 JKCA COc1ccccc1OCCCOc1ccccc1/C=C1/SC(=S)N(c2ccccc2)C1=O 15857208 ZEBXXIFYGLUTNN-HKOYGPOVSA-N 477.607 5.949 10 50 JKCA O=C(CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1ccc(-c2ccccc2)cc1 12377616 DZZVXVTZTBUJBA-HAVVHWLPSA-N 493.053 6.627 10 50 JKCA O=C1/C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 13546283 OWBUIZNGKRRUNL-GZTJUZNOSA-N 474.972 6.398 10 50 JKCA Cc1cccc(Cn2cc(/C=C3\C(=N)N4N=C(Cc5cccs5)SC4=NC3=O)c3ccccc32)c1 16265343 WVSIPSXCXBOPKY-ODFXPZCVSA-N 495.633 5.921 10 50 JKCA CC[C@@H](C1=NN2C(=N)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=O)N=C2S1)c1ccccc1 16266146 MFAIHVLJDOROLQ-ZMKWBVIUSA-N 485.525 5.668 10 50 JKCA CCCCCCN1C(=O)/C(=C2/C(=O)N(Cc3ccc(C)cc3)c3ccccc32)SC1=S 16729383 YYWQRQQEEZQIGA-DQRAZIAOSA-N 450.629 5.694 10 50 JKCA O=C1/C(=C/c2ccc(F)cc2)C(CSc2ccc(Cl)cc2)=NN1c1nc2ccccc2s1 22130734 SXBLZHXJPMFLJY-CPNJWEJPSA-N 479.989 6.667 10 50 JKCA CCOC(=O)N1CCc2c(sc(NCc3ccc(C)o3)c2C(=O)Nc2ccc(OC)cc2OC)C1 729105 VOSDFFVKHYRSDW-UHFFFAOYSA-N 499.589 5.046 10 50 JKCA N=C1/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N=C2SC(c3ccccc3Cl)=NN12 13940740 BQQRBPGUVCHDCX-MLDLNWIHSA-N 477.889 5.176 10 50 JKCA CCN1C(=O)N(Cc2cccc3ccccc23)C(=O)C12CCN(C/C=C/c1ccc(N(C)C)cc1)CC2 14750468 DSQPRBXHNXCVQO-CMDGGOBGSA-N 496.655 5.238 10 50 JKCA COC(=O)c1ccccc1-c1ccc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)o1 15012061 VZQXDSJPUFZIFT-DEDYPNTBSA-N 451.525 5.148 10 50 JKCA O=c1cc2oc3cc(O)c(O)cc3c(-c3ccc(OCc4cccc([N+](=O)[O-])c4)cc3)c-2cc1O 16225919 VEZAXGNYFRFACI-UHFFFAOYSA-N 471.421 5.169 10 50 JKCA CCC1=NN2C(=N)/C(=C/c3ccc(OCc4ccc(Br)cc4)c(OC)c3)C(=O)N=C2S1 9310002 AABDRDNBRQXMQH-MEOLDJOHSA-N 499.390 5.066 10 50 JKCA COc1ccc(O)c(CN2CCC([C@H](Cc3cccc(C(F)(F)F)c3)N(C)C(=O)C3CC3)CC2)c1 11839603 ANSRGVKJWNQUEX-DEOSSOPVSA-N 490.566 5.111 10 50 JKCA N=C1/C(=C/c2ccc(OCc3ccccc3)cc2)C(=O)N=C2SC(c3ccccc3Cl)=NN12 13895238 KFLNCYSLLSNUIF-ZEOXQOHMSA-N 472.957 5.586 10 50 JKCA COc1ccc2c(c1)S[C@@H](c1ccccc1OC)CCN2Cc1ccc(OCCO)cc1 12338040 VSPVAXCZODFHQQ-RUZDIDTESA-N 451.588 5.319 10 50 JKCA CCOc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Cl)c1OCc1cccc2ccccc12 2959169 SKUPBWOIVLHIRW-FYJGNVAPSA-N 470.015 6.302 10 50 JKCA Cc1ccc(-n2c(-c3ccc(N4CCOCC4)cc3)nc(-c3ccccc3)c2-c2ccccc2)cc1 4541711 SZOKQCVVUWKSET-UHFFFAOYSA-N 471.604 7.018 10 50 JKCA N=C1/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)C(=O)N=C2SC=NN12 16248035 VQHLMMJKSBWBBW-MGKGHCEOSA-N 465.749 5.475 10 50 JKCA COc1cc(/C=C2/SC(=S)NC2=O)cc(Cl)c1OCCCOc1cccc(C)c1C 2874248 FXKKFVSRNJABRW-XDHOZWIPSA-N 464.008 5.302 10 50 JKCA Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)cc2)cc1 2961478 USAITGWSRYTCPC-PXLXIMEGSA-N 481.620 5.164 10 50 JKCA CCOc1cc(/C=C2/C(=O)N(c3ccc(OCc4ccccc4)cc3)C(=O)N=C2O)cc(Cl)c1O 15837649 YWRRKPARIFOTMB-UDWIEESQSA-N 492.915 5.530 10 50 JKCA Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3nc4ccccc4s3)C2=O)cc1 1179859 FYTLFGWFUPLAEX-QGOAFFKASA-N 453.614 5.225 10 50 JKCA COc1ccc(-c2cc(-c3ccccc3)nc3sc(C(=O)OCc4ccccc4)c(N)c23)cc1 2270851 KHAPRLJABYWGNX-UHFFFAOYSA-N 466.562 6.578 10 50 JKCA O=S(=O)(Nc1cc(Sc2cccc3cccnc23)c(O)c2ccccc12)c1cccs1 2685421 RIOZDJKKJVLSOC-UHFFFAOYSA-N 464.593 6.107 10 50 JKCA Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCc4cccc(F)c4)c3)C2=O)cc1Cl 6859709 VEGMFMZYDSSACL-MTJSOVHGSA-N 464.880 5.033 10 50 JKCA O=C1/C(=C\c2ccc(-c3ccc(Br)cc3)o2)SC(=S)N1c1cccc(Cl)c1 8398613 REXIYEPCAHXOCL-WOJGMQOQSA-N 476.804 6.768 10 50 JKCA COc1ccccc1C(=O)Nc1cccc(N2CCC(N3CCCC[C@H]3c3ccccn3)CC2)c1 12726885 ATKIUZPHGJYWON-MHZLTWQESA-N 470.617 5.539 10 50 JKCA CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OC(=O)c1ccccc1F 16247170 KIHRYDPRUNKVSX-HAHDFKILSA-N 493.581 6.158 10 50 JKCA Cc1cc(C)cc(Oc2c(C(F)(F)F)oc3c(CN4C[C@@H](C)O[C@H](C)C4)c(O)ccc3c2=O)c1 19597080 KHYYQDGXOOPVAZ-HZPDHXFCSA-N 477.479 5.536 10 50 JKCA biogenic O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1ccc(F)c(Cl)c1 1181159 LGHQUHZBRHPPAM-SXGWCWSVSA-N 455.363 5.363 10 50 JKCA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCCOC)C2=O)cc1 9065720 DPFFODOMZFRQHD-QJOMJCCJSA-N 493.654 5.566 10 50 JKCA O=C1/C(=C\c2ccc(-c3ccc(Br)cc3)o2)SC(=S)N1CCc1ccccc1 17178858 PMJBNXQEVMGXEX-XSFVSMFZSA-N 470.413 6.153 10 50 JKCA COc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1OCc1ccc([N+](=O)[O-])cc1 2070545 SWYBVOUURFBXQR-HYARGMPZSA-N 478.551 5.588 10 50 JKCA O=C1/C(=C/c2ccc(OCc3ccccc3)c(Cl)c2)SC(=S)N1Cc1ccccc1 2822713 VAGUHZXFDUNYQI-HMAPJEAMSA-N 452.000 6.320 10 50 JKCA Cc1ccc(N2CCN(C3=NC(=O)/C(=C\c4ccc(OC(C)C)cc4)S3)CC2)cc1Cl 8744287 MNWLBXLBAOWBGG-HYARGMPZSA-N 456.011 5.228 10 50 JKCA COc1cccc(OCCCOc2cccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)c2)c1 15857258 DITLNLGZQVVGMI-JJIBRWJFSA-N 477.607 5.949 10 50 JKCA CN1/C(=C/c2cc[n+](CCCCCCCCCCC(=O)O)c3ccccc23)Sc2ccccc21 200368996 USLOTDZXULVUBP-UHFFFAOYSA-O 475.678 7.263 10 50 JKCA CCCCC[C@@H]1CCN2c3c1cc(C(=O)O)cc3[C@@H]1C=CC[C@H]1[C@@H]2c1ccc(Br)cc1 248198178 SATVLVYEJAZVPV-QAJSZCMLSA-N 480.446 7.436 10 50 JKCA biogenic Cc1cc(/C=C2/SC(=O)NC2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 2969959 HDZQBEXQSWPGFG-UDWIEESQSA-N 451.529 5.477 10 50 JKCA CC(C)CC(=O)O[C@H]1[C@H](N2CCCCC2)c2c(ccc(/C=C/C(=O)N3CCCCC3)c2O)OC1(C)C 4016727 IVCDQEWYXBNGOX-YGQLNEIFSA-N 498.664 5.074 10 50 JKCA biogenic Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)N(c3ccc(Cl)cc3)C(=S)N=C2O)o1 8856699 JERBJOUAOFVBBW-WQRHYEAKSA-N 467.890 5.488 10 50 JKCA COc1cccc(CN2CCC([C@H](Cc3ccccc3F)N(C)C(=O)c3ccsc3)CC2)c1O 15000254 BFRCOEORJMPPLS-DEOSSOPVSA-N 482.621 5.197 10 50 JKCA CCCCCCN1C(=O)/C(=C2\SC(=S)N(C3CCCC3)C2=O)c2cc(Br)ccc21 16731845 YBSABJKCSFEVOV-HNENSFHCSA-N 493.492 5.890 10 50 JKCA CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)NCc4ccccc4Cl)c4ccccc34)[C@@H]21 1775972355 XSEVBZDIHWLDKH-MUUNZHRXSA-N 499.014 5.148 10 50 JKCA O=C(COc1ccccc1)N[C@@H](c1ccc(Cl)cc1)c1cc(Cl)c2cccnc2c1O 1170061 DUVLYWRLPNUXKZ-QFIPXVFZSA-N 453.325 5.532 10 50 JKCA Cc1c(N2C(=O)/C(=C/c3cccc4ccccc34)SC2=S)c(=O)n(-c2ccccc2)n1C 1215528 HMDLKJPYWBLNIT-QNGOZBTKSA-N 457.580 5.043 10 50 JKCA O=C1/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC(=S)N1c1ccc(Cl)cc1Cl 3003280 IZYCZHIZNRDULV-ZDLGFXPLSA-N 477.350 6.567 10 50 JKCA COc1cccc(C(=O)N[C@H](c2ccc(Cl)cc2)c2cc(Cl)c3cccnc3c2O)c1 6427104 XBNOUKQXFJYQLG-OAQYLSRUSA-N 453.325 5.775 10 50 JKCA CC[C@H](C)c1ccc(OCCOc2c(Cl)cc(/C=C3\SC(N)=NC3=O)cc2OC)cc1 6573936 AOZNIEILHLMKNI-DABDWFRDSA-N 460.983 5.249 10 50 JKCA Nc1ccc(N(c2ccc(N)cc2)c2ccc(N(c3ccc(N)cc3)c3ccc(N)cc3)cc2)cc1 16123580 LVPYYSKDNVAARK-UHFFFAOYSA-N 472.596 6.955 10 50 JKCA in-vitro CCOc1cc(/C=C2\C(=O)N(c3ccccc3)C(=O)N=C2O)ccc1OCc1ccc([N+](=O)[O-])cc1 16677448 MJAUZJVBTRUUKO-STZFKDTASA-N 487.468 5.079 10 50 JKCA COC(=O)c1c(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)sc2c1CC[C@@H](C(C)(C)C)C2 949696 BQLOSQRTOJZFOO-ACJLOTCBSA-N 472.632 5.127 10 50 JKCA CN(C)c1ccc([C@@H]2Nc3ccccc3-c3nnc(SCc4ccccc4Cl)nc3O2)cc1 2087011 PWCQZDVVZHQSAM-HSZRJFAPSA-N 476.005 6.053 10 50 JKCA O=C(CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccc(Br)cc1 2381815 KOHUOQLICJFKDI-GHRIWEEISA-N 495.489 5.911 10 50 JKCA COc1cccc(OCCOc2cccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)c2)c1 2966169 IDXGXSNRVMMLHW-XQNSMLJCSA-N 463.580 5.559 10 50 JKCA COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCCOc1ccccc1C 2994140 PPCPXFYIDACVIR-ULJHMMPZSA-N 477.607 5.867 10 50 JKCA COc1ccc(S(=O)(=O)Nc2cc(SCc3ccccc3)c(O)c3ccccc23)cc1[N+](=O)[O-] 8859980 SABYGYBMPSEGNZ-UHFFFAOYSA-N 496.566 5.555 10 50 JKCA COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C[C@@H]3CCCO3)C2=O)c(C)c1 16193146 UNPRGFXNJPTKIK-VSIOZEBNSA-N 491.638 5.237 10 50 JKCA CCCCN1C(=O)/C(=C/c2ccc(OC(=O)/C=C/c3ccc(OC)cc3)c(OCC)c2)SC1=S 16699703 LPYNYASHUWGARE-SEUFPGFTSA-N 497.638 5.714 10 50 JKCA O=C1/C(=C\c2ccc(Br)cc2)C(c2ccccc2)=NN1c1ccc(Br)cc1 22022965 BXUXGMBDGZQVQM-ZHZULCJRSA-N 482.175 6.046 10 50 JKCA CC[C@@H](C)c1ccccc1OCCOc1ccc([N+](=O)[O-])cc1/C=C1\SC(=S)NC1=O 22229094 XFQPGQWDKQCJSU-KELUXRKGSA-N 458.561 5.055 10 50 JKCA Cc1ccc(S(=O)(=O)Nc2cc(C(C)C)c(O)c(S(=O)(=O)c3ccc(C)cc3)c2C)cc1 948873 WQHABDDTZWXXMA-UHFFFAOYSA-N 473.616 5.074 10 50 JKCA O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)SC(=S)N1Cc1ccc(F)cc1 2533011 TVBVWFFYHNJMSV-UCQKPKSFSA-N 489.572 6.219 10 50 JKCA CC(C)CC1=NN2C(=N)/C(=C/c3cn(CCOc4ccccc4)c4ccccc34)C(=O)N=C2S1 12382188 PLHSUSOWZWCTKH-QGNOBFDASA-N 471.586 5.386 10 50 JKCA CCOc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)N=C2C)ccc1OCC(=O)Nc1ccccc1 13914661 BBNIKYZIBUKYKJ-HZHRSRAPSA-N 473.504 5.048 10 50 JKCA Cc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C2=O)cc1C 1183981 RCAWZUSJBOESMI-WOJGMQOQSA-N 465.849 5.632 10 50 JKCA Cc1ccc(Oc2cc(Nc3c(C)cc(C)cc3C)c3c4c(onc24)-c2ccccc2C3=O)cc1 2894385 MSIRKLCTDCSTRH-UHFFFAOYSA-N 460.533 7.809 10 50 JKCA CCN1C(=O)/C(=C\c2cc(Br)ccc2OCCOc2cccc(OC)c2)SC1=S 6470471 OLILZWHTNTWIEE-XDHOZWIPSA-N 494.432 5.137 10 50 JKCA O=C1C(=CNc2ccc(Cl)c(Cl)c2)C(=O)N(C2CCCCC2)C(=O)N1C1CCCCC1 6974314 SKWXSGXCOHMPRC-UHFFFAOYSA-N 464.393 5.745 10 50 JKCA CCOC(=O)c1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)sc2c1CCCCCCCCCCC2 8455536 OYNOMTLDRSZHCB-OALUTQOASA-N 477.667 6.364 10 50 JKCA Cc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)C2=O)cc1 22298793 QEBKAOWEOIIGOW-YVLHZVERSA-N 484.952 5.897 10 50 JKCA C[C@H](CCc1ccccc1)NC(=O)CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O 888104783 MFXGWDJIIWVTMM-OAQYLSRUSA-N 490.607 5.102 10 50 JKCA O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1ccccc1Br 13785510 MLUPSQKHGBRNFL-WJDWOHSUSA-N 481.824 5.333 10 50 JKCA COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Sc4ccc(Cl)cc4)cc3)C2=O)cc1 1131517 PGDUVCCFUSYIGX-KGENOOAVSA-N 464.930 5.166 10 50 JKCA Cc1ccc(OCCn2cc(/C=C3/C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)c3ccccc32)cc1 15822727 PZYAJQMQTSIWEA-ACIFXTKISA-N 497.502 5.210 10 50 JKCA CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(-c2ccc(Br)c([N+](=O)[O-])c2)o1 103791071 KRMJQROLZLTOIZ-GZTJUZNOSA-N 486.709 6.077 10 50 JKCA O=C1/C(=C\c2ccccc2OCc2c(F)cccc2Cl)SC(=S)N1Cc1ccccc1 7018754 WBHQCDNOVRYBLN-LPYMAVHISA-N 469.990 6.460 10 50 JKCA CCCCc1nnc(NC(=O)CCCCCN2C(=O)/C(=C\c3cccs3)SC2=S)s1 9472098 QDPJLZRFWPFIJK-FYWRMAATSA-N 480.706 5.343 10 50 JKCA Oc1ccc(Cl)cc1[C@@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3cccs3)=NN21 13616706 KQPJDMCPQOMDIQ-JXFKEZNVSA-N 461.768 6.112 10 50 JKCA N=C1/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)C(=O)N=C2SC(C(F)(F)F)=NN12 13810166 JKLRNODSLITJHA-FOIIZDKOSA-N 471.439 5.010 10 50 JKCA Cc1ccc(S(=O)(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)c3ccccc3c2O)cc1 1107113 ZPNVMQAMJMBIDG-UHFFFAOYSA-N 487.986 5.141 10 50 JKCA CCCCN1C(=O)/C(=C/c2c(Sc3ccccc3)nc3ccc(C)cn3c2=O)SC1=S 2203098 UGSPCCBJVVRYPM-AQTBWJFISA-N 467.641 5.155 10 50 JKCA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@@H](C)CC)C2=O)c(C)c1 2671906 NBVMGLFNXKLCEG-UZXDDYOISA-N 491.682 6.636 10 50 JKCA CCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1Cl 16226118 IPIJIOUGTHJENM-MDWZMJQESA-N 467.736 5.410 10 50 JKCA O=C1N=C(O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1Cc1ccccc1Cl 1134267 SMGUVRHQFAUOOI-GZTJUZNOSA-N 451.822 5.011 10 50 JKCA CCOc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C2=O)cc1 1203748 CQDNKXWOAPBRGG-DEDYPNTBSA-N 461.430 5.069 10 50 JKCA COc1ccc(N2C(=O)/C(=C3/C(=O)N(Cc4ccccc4F)c4ccccc43)SC2=S)cc1 2970777 QFKCFBWSRJORHR-DQRAZIAOSA-N 476.554 5.157 10 50 JKCA CCOC(=O)c1ccc2c(c1)N(CC)/C(=C/C=C1/SC(=S)N(c3ccccc3)C1=O)N2CC 3146894 AJFOMUSNSZTFHI-NNFYUIBOSA-N 479.627 5.320 10 50 JKCA O=C(Nc1cccc(N2CCC(NCCc3cscn3)CC2)c1)c1cccc(C(F)(F)F)c1 14983249 HKODYIZIDDDZLE-UHFFFAOYSA-N 474.552 5.215 10 50 JKCA COc1cccc(C(=O)N[C@H](c2ccc([N+](=O)[O-])cc2)c2cc(Cl)c3cccnc3c2O)c1 6427109 OSOUPEXCMPMVNV-OAQYLSRUSA-N 463.877 5.030 10 50 JKCA CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C3CCCC3)C2=O)cc1 16701005 PZLUPOWTQMWIMG-JLPGSUDCSA-N 489.666 6.470 10 50 JKCA CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCCC(=O)O)C2=O)cc1 33339659 JXLIFDFHOQJGPB-RCCKNPSSSA-N 493.610 5.004 10 50 JKCA CCOc1cc(/C=C2/SC(=S)NC2=O)cc(Cl)c1OCCCOc1cc(C)cc(C)c1 2874171 ZWQICDQSWYRGSG-DEDYPNTBSA-N 478.035 5.692 10 50 JKCA O=C1N=C(O)/C(=C\c2ccc(OCc3ccccc3F)c(Cl)c2)C(=O)N1c1cccc([N+](=O)[O-])c1 15837564 MHKYEMFQYHBHKY-VCHYOVAHSA-N 495.850 5.473 10 50 JKCA Cc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(Cc4ccc(Br)cc4)C3=O)c2C)cc1C 1161324 FKBKRMJFBPBPCM-YDZHTSKRSA-N 478.390 5.566 10 50 JKCA CCOc1cccc(CN2CCC([C@@H](Cc3ccccc3F)N(C)C(=O)c3ccsc3)CC2)c1O 12166904 HXQQEWPPLWJCKU-RUZDIDTESA-N 496.648 5.587 10 50 JKCA CCN1/C(=C/C(C)=C/c2sc3ccc4ccccc4c3[n+]2CC)Sc2ccc3ccccc3c21 1565470 CDUZMYHPBLVJHK-UHFFFAOYSA-N 479.694 8.392 10 50 JKCA in-vitro COc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Cl)c1OCCCOc1cc(C)ccc1C 2878576 ZYZOZXBEHFCZHQ-DEDYPNTBSA-N 478.035 5.644 10 50 JKCA CN(C)c1ccc([C@@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccc(F)cc4)=NN32)cc1 6136000 CBBPAFBHSFFNGC-UPVQGACJSA-N 466.354 5.897 10 50 JKCA O=C(CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1nc2ccccc2s1 12377607 VBEOJDDRVGMNHI-SFQUDFHCSA-N 474.032 5.570 10 50 JKCA N=C1/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)N=C2SC(c3ccccc3)=NN12 30684056 FPGHIIVHSGQDAH-HFUGBDTNSA-N 467.337 5.921 10 50 JKCA COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OC(=O)c1ccc(Cl)cc1 2025962 OKPQJPUAZLPSDK-KGENOOAVSA-N 481.982 5.974 10 50 JKCA CCCCOc1ccc(/C=C2\SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1OC 8821246 QRUQVYMQHNYIJS-KQWNVCNZSA-N 487.643 5.335 10 50 JKCA O=C1/C(=C/c2ccccc2OCc2ccccc2F)C(O)=NC(=S)N1c1ccccc1F 15799649 ZHWWIZZJZGAGFI-GHRIWEEISA-N 450.466 5.215 10 50 JKCA CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2cccc(I)c2)c1C 16183504 CPSLFUJBRBQDGQ-XKZIYDEJSA-N 481.337 5.505 10 50 JKCA Cc1ccc(C)c(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N([C@H](C)c3ccccc3)C2=O)c1 34107190 XWUFDKNCXTUQCK-AZVXTCMLSA-N 495.673 7.119 10 50 JKCA O=C1N=C(N2CCN(c3ccc(Cl)cc3)CC2)S/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 1181088 JAGCCPHIQJQYIG-JCMHNJIXSA-N 494.960 5.301 10 50 JKCA CCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc3ccccc3c2)SC1=S 2672559 YFRKNIUKJNQAGL-ULJHMMPZSA-N 469.635 6.694 10 50 JKCA CCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)SC1=S 6470681 BDZIKKIEEFXVGL-LDADJPATSA-N 470.417 5.523 10 50 JKCA CC[C@H](C)c1ccc(OCCCOc2ccc(/C=C3/SC(=S)NC3=O)cc2OC)cc1 22257827 GBEZNOIMCFUWAF-PZBNQXIHSA-N 457.617 5.545 10 50 JKCA O=C(O)CN1C(=O)/C(=C\c2cn(Cc3c(Cl)cccc3Cl)c3ccccc23)SC1=S 1151601 YVPMMGBWHVUGSC-QGMBQPNBSA-N 477.394 5.282 10 50 JKCA O=C1/C(=C/c2cccs2)SC(=S)N1CCC(=O)N1c2ccccc2Sc2ccccc21 2577130 IQDVEMUSZNXHKN-ZHZULCJRSA-N 480.661 6.169 10 50 JKCA Cc1ccc(CN2C(=O)/C(=C/c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)SC2=S)cc1 2811911 XRVXCOVDMFNCJF-HMAPJEAMSA-N 490.562 5.524 10 50 JKCA O=C1/C(=C\c2ccc(-c3ccc(OC(F)(F)F)cc3)o2)SC(=S)N1c1ccc(F)cc1 2993411 DFHOXGZPBMCCEI-WOJGMQOQSA-N 465.449 6.390 10 50 JKCA COc1ccc(C(=O)N[C@H](c2ccc(OC)c(OC)c2)c2cc(Cl)c3cccnc3c2O)cc1 6397341 MFJNCURXIMDTRJ-HSZRJFAPSA-N 478.932 5.139 10 50 JKCA biogenic CN(C)c1ccc([C@@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccc(Cl)cc4)=NN23)cc1 15224667 DZGBIOKDKSIMLM-VWNXMTODSA-N 482.809 6.411 10 50 JKCA Cc1c(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c2ccccc2n1Cc1ccccc1 22228892 YFMRGDWZPLMXPG-XYGWBWBKSA-N 454.620 6.399 10 50 JKCA COc1ccc(/C=C2/C(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C(=O)N=C2O)cc1OC 1169978 VNBJYCGVTWDEEF-HYARGMPZSA-N 472.497 5.098 10 50 JKCA COc1cc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)ccc1OCc1ccc(F)cc1 2815496 YLEYNUGHJLYLSV-HAHDFKILSA-N 471.619 6.195 10 50 JKCA O=C1/C(=C\c2ccc(COc3cc(F)ccc3[N+](=O)[O-])o2)SC(=S)N1Cc1ccccc1 20602343 ZDTFNQGWQAEUED-RGVLZGJSSA-N 470.503 5.307 10 50 JKCA CCOc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N=C2O)ccc1OCc1ccccc1 15685856 RHSBWFIOVDVUFZ-RCCKNPSSSA-N 458.539 5.336 10 50 JKCA CCOc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCCCOc1ccc(Cl)c(C)c1 2882437 NBHSVMYSVCTLTB-KGENOOAVSA-N 478.035 5.726 10 50 JKCA Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc(C(=O)O)ccc4C)o3)C2=O)cc1C 6858901 TXXAYCBWDDMQLU-WSDLNYQXSA-N 490.537 5.245 10 50 JKCA CCOc1ccc(NC(=O)CCCCCN2C(=O)/C(=C\c3ccc(OC)cc3)SC2=S)cc1 8714582 RCTPPBUXOKXGQB-OQKWZONESA-N 484.643 5.494 10 50 JKCA Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2ccc(C(=O)O)cc2)N3)cc1C 226908439 XCBONKHCCRJMNW-JQYIIUTOSA-N 474.582 5.629 10 50 JKCA CC1(C)Nc2cccc3c(/N=N/c4ccc(/N=N/c5ccccc5)c5ccccc45)ccc(c23)N1 12405008 YCUVUDODLRLVIC-VPHDGDOJSA-N 456.553 9.397 10 50 JKCA in-vitro O=C1/C(=C\c2cc([N+](=O)[O-])ccc2OCCOc2ccccc2)SC(=S)N1c1ccccc1 15768772 ANURZSMYQGAWTR-CJLVFECKSA-N 478.551 5.458 10 50 JKCA COc1ccc(N2CCN(C(=O)c3cc(-c4ccc(C)c(C)c4)nc4c(C)cccc34)CC2)cc1 20418357 XDGFLJBCZDTYDW-UHFFFAOYSA-N 465.597 5.798 10 50 JKCA Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)o1 30765751 UVSDXNAKNLOZCN-JKJUGIAJSA-N 456.483 5.467 10 50 JKCA Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3cc(Cl)cc(Cl)c3)C2=O)cc1 2302155 BLVLFGLZXCJASP-GIJQJNRQSA-N 465.427 5.922 10 50 JKCA COc1ccc(CN2C(=O)/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)SC2=S)cc1 2960193 AKRPDFABEXZLDM-JAIQZWGSSA-N 476.406 6.663 10 50 JKCA CCC(=O)N(CC[C@@]1(c2ccc(OC)cc2)CCOC(C)(C)C1)Cc1ccc(N(C)C)cc1 8740428 VRNJWDWDZJRJPX-MUUNZHRXSA-N 452.639 5.417 10 50 JKCA biogenic O=C1/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C(O)=NC(=S)N1Cc1ccc(F)cc1 1265564 GRNTYQGMZQBFAB-UCQKPKSFSA-N 469.541 5.496 10 50 JKCA CC(C)(C)N(Cc1ccccc1)C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 1894864 GVSRSEOHSIKNAG-CYVLTUHYSA-N 458.674 5.557 10 50 JKCA COc1ccc(CN2C(=O)/C(=C/c3ccccc3OCc3ccc(Cl)cc3)SC2=S)cc1 2938263 DXWWYYCUBVOJJF-UCQKPKSFSA-N 482.026 6.329 10 50 JKCA COC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)o2)cc1 2999914 GLKQQWQCDXYZGD-XDHOZWIPSA-N 489.496 6.158 10 50 JKCA O=C(O)CCCCCCCCCCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 8965117 VSJANGNKYQUPJL-SDXDJHTJSA-N 484.481 6.246 10 50 JKCA C[C@@H]1CN(Cc2c(O)ccc3c(=O)c(-c4cccc5ccccc45)c(C(F)(F)F)oc23)C[C@@H](C)O1 19791783 HESWFMURDPMTQJ-HZPDHXFCSA-N 483.486 5.947 10 50 JKCA biogenic CC[C@H](C)c1ccc(OCCOc2ccc(/C=C3\C(=N)N4N=CSC4=NC3=O)cc2Cl)cc1 22496983 NHFLALHVQLPACH-KTNVHLPOSA-N 482.993 5.560 10 50 JKCA CCN1C(=O)/C(=C/c2cccc(OC)c2OCCOc2cccc(C(F)(F)F)c2)SC1=S 3465095 OUROWDNVEBEYGN-PDGQHHTCSA-N 483.533 5.393 10 50 JKCA O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1nc(-c2ccccc2)cs1 8766292 GQEGMVXBRZDHQL-PDGQHHTCSA-N 486.043 5.694 10 50 JKCA CCCN1C(=O)/C(=C2\SC(=S)N(Cc3ccc(F)cc3)C2=O)c2cc(Br)ccc21 16730060 OLWWZXSNXPFEMF-ZCXUNETKSA-N 491.407 5.116 10 50 JKCA C[C@@H]1CN(Cc2cc(Cl)c3cccnc3c2O)[C@H](C)CN1Cc1cc(Cl)c2cccnc2c1O 71766953 BPEHVQPLTYYOFZ-HZPDHXFCSA-N 497.426 5.596 10 50 JKCA O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1Nc1cc(-c2ccccc2)c2cc([N+](=O)[O-])ccc2n1 6474435 XGTRMXCITQXHGS-UHFFFAOYSA-N 490.475 6.693 10 50 JKCA CC1=NN(c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2 8780835 ZXYOCRSKASLADZ-DICXZTSXSA-N 462.597 6.146 10 50 JKCA COc1cc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@@H]3C=CC[C@H]32)cc(Br)c1OC 12628122 XYHKYEBAJQBIPV-VPZZIHKRSA-N 455.179 6.600 10 50 JKCA Cc1[nH]c2ccc(Br)cc2c1/C=C1\C(=O)N(c2ccccc2Cl)C(=S)N=C1O 38170778 BREYEVXYUDDVLE-ZROIWOOFSA-N 474.767 5.564 10 50 JKCA COc1ccc(-c2c3c(c(-c4ccccc4)n2-c2ccccc2N)C(=O)c2ccccc2C3=O)cc1 2273645 UCSBPXKFXQHCOR-UHFFFAOYSA-N 470.528 6.178 10 50 JKCA COc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OCc1ccccc1 2678012 DBRGMJOWMPUXHT-WSLHGYQHSA-N 461.608 6.237 10 50 JKCA CCOc1cc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)ccc1OCc1ccc(C)cc1 15010823 QPCWXSAOSJDESB-OYKKKHCWSA-N 476.623 5.769 10 50 JKCA CC(C)CN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC1=S 19878971 KWIAQGHIIHYRJL-UDWIEESQSA-N 454.020 6.050 10 50 JKCA O=C1/C(=C\c2cc(Br)ccc2F)SC(=S)N1c1cccc(C(F)(F)F)c1 15012057 XLBFSYIVNKSPDD-VGOFMYFVSA-N 462.287 6.013 10 50 JKCA CCN1C(=O)/C(=C/c2cc(Br)ccc2OCCOc2ccccc2OC)SC1=S 2993360 MXYSUKAFYAFYMN-UYRXBGFRSA-N 494.432 5.137 10 50 JKCA O=C1c2ccccc2-c2nc(-c3ccccc3)nc3ccc(Nc4ccc(Oc5ccccc5)cc4)c1c23 3001634 BGIXTZDMFHTYFS-UHFFFAOYSA-N 491.550 8.044 10 50 JKCA C[C@@H]1C[C@@H]2[C@H](c3ccccc3)NC(=S)N[C@]23Oc2c(ccc(O)c2O)[C@@H](c2ccccc2)[C@H]3C1 248339276 SPOYDIYBWAWZLV-JQSZOQTMSA-N 472.610 5.200 10 50 JKCA O=S(=O)(Nc1cc(-c2c(O)ccc3ccccc23)c(O)c2ccccc12)c1ccc(Cl)cc1 2954982 WZRCXOWCZXJNNM-UHFFFAOYSA-N 475.953 6.525 10 50 JKCA COc1cccc(C(=O)N[C@@H](c2ccc(Cl)cc2Cl)c2c(O)ccc3ccccc23)c1 2981968 IKVPYGIPLMRMQO-DEOSSOPVSA-N 452.337 6.380 10 50 JKCA CCc1cc2c(=O)c(-c3nc4ccccc4n3C)coc2c(CN(CC(C)C)CC(C)C)c1O 8817604 JPIKJLGSKQFAJW-UHFFFAOYSA-N 461.606 5.729 10 50 JKCA biogenic COc1ccc(CN2C(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3ccccc3)SC2=S)cc1 9427679 HQBJGCXMWJCGRQ-JLPGSUDCSA-N 483.618 5.949 10 50 JKCA Oc1c(Cl)cc(Cl)cc1[C@@H]1Oc2ccc(Br)cc2[C@H]2CC(c3cccs3)=NN12 25559603 IEDFKTDQDQWIOB-UZLBHIALSA-N 496.213 6.765 10 50 JKCA CCCC[C@@H](CC)CN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccs2)SC1=S 33939620 JNZIMBGDSPCJFC-GNFOSXPUSA-N 481.712 7.018 10 50 JKCA CCOc1cc(/C=C2\SC(=S)NC2=O)cc(Cl)c1OCCOc1ccccc1[C@H](C)CC 13943861 WBYJDUSFZMVPCC-XWCAUFEOSA-N 492.062 6.199 10 50 JKCA COc1cccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4c(C)cccc4C)cc3[C@H]3C=CC[C@@H]32)c1OC 36056880 FGZDGHZXRFEERU-NOMHHCBYSA-N 490.625 5.948 10 50 JKCA O=C(CN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ncc(Cc2ccccc2Cl)s1 1203139 WIQBFZMOIPQOTE-ZDLGFXPLSA-N 486.043 5.227 10 50 JKCA CN(Cc1ccccc1)Cc1c(O)ccc2c(=O)c(-c3ccc(Cl)cc3)c(C(F)(F)F)oc12 1771004 LCJUGQCGLJGJOO-UHFFFAOYSA-N 473.878 6.470 10 50 JKCA Cc1ccc(-n2c(C)cc(C(=O)CSc3nnc4cc(C)c5ccccc5n34)c2C)cc1C 2106680 PHPXBUZGKRKIMX-UHFFFAOYSA-N 454.599 6.190 10 50 JKCA CC[C@H](C)N1C(=O)/C(=C/c2c(Sc3ccccc3)nc3c(C)cccn3c2=O)SC1=S 2201606 FJFAIDHOICIILB-LUJRCDHRSA-N 467.641 5.154 10 50 JKCA C[C@@H](NC1CCN(c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)CC1)c1nccs1 12243169 WBHPQJQOISWKHQ-MRXNPFEDSA-N 474.552 5.734 10 50 JKCA Cc1nn(-c2ccccc2)c(C)c1[C@H](NC1CCN(c2ccc3c(c2)OCO3)CC1)C(F)(F)F 952995657 UAYZFVKAFUPDBF-DEOSSOPVSA-N 472.511 5.080 10 50 JKCA O=C1/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(O)=NC(=S)N1c1ccc(Br)cc1 1206778 KMVXXOHLFUWTHN-WJDWOHSUSA-N 498.314 5.289 10 50 JKCA CCOc1cc([C@H](Nc2cc(C)ccn2)c2ccc3cccnc3c2O)cc(Cl)c1OCC 6387074 QLIQUSKEWKIJDK-QHCPKHFHSA-N 463.965 6.296 10 50 JKCA O=C1/C(=C/c2ccccc2OCCOc2ccc([N+](=O)[O-])cc2)SC(=S)N1Cc1ccccc1 9730591 KZPRISKOXNWGTK-KQWNVCNZSA-N 492.578 5.454 10 50 JKCA O=C1/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C(O)=NC(=S)N1c1cccc(F)c1 1835433 GIVBFEAAAYPMEZ-XKZIYDEJSA-N 455.514 5.500 10 50 JKCA CCCOc1ccccc1/C=C1/SC(N2CCN(c3ccc(C)c(Cl)c3)CC2)=NC1=O 2315125 PYJRJAMKWPCDLG-PXLXIMEGSA-N 456.011 5.230 10 50 JKCA Cc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC1=S 6973884 PITBVTMDQVDIBV-YBFXNURJSA-N 456.932 6.222 10 50 JKCA Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1 9183478 SWEXFENBDMXPOJ-ANYBSYGZSA-N 480.571 6.682 10 50 JKCA COc1ccc(-c2cc(=O)oc3cc(OCC(=O)OCc4ccccc4)c(Cl)cc23)cc1 11865389 MOIFNFATWINDHR-UHFFFAOYSA-N 450.874 5.244 10 50 JKCA COc1cc(/C=C2/SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OC(=O)c1cccc(C)c1 13775080 YOUHZKNKBGKWQJ-WCIBBKAISA-N 489.618 6.185 10 50 JKCA CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2cccc([N+](=O)[O-])c2)N3)cc1 43781694 DNXTXNYDHDNNII-MVERNJQCSA-N 491.569 5.621 10 50 JKCA CCCN1C(=O)/C(=C2\SC(=S)N(CCc3ccccc3)C2=O)c2cc(Br)ccc21 16805569 QJLKROZJKJYIPY-HNENSFHCSA-N 487.444 5.020 10 50 JKCA COc1cccc(OCCOc2ccccc2/C=C2/SC(=S)N(Cc3ccccc3)C2=O)c1 22215409 BPLMORHNUSTMMW-LFVJCYFKSA-N 477.607 5.554 10 50 JKCA COc1ccc(N2CCN(c3nc(-c4ccccn4)nc4sc(-c5ccccc5)cc34)CC2)cc1 1857799208 RADLJLLXIMPYIU-UHFFFAOYSA-N 479.609 5.756 10 50 JKCA O=C(O)c1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2ccccc2F)N3)cc1 111479162 CTTOGPAAVKCXEG-IECBHUPTSA-N 464.518 5.151 10 50 JKCA O=C1/C(=C\c2ccc(-c3ccc(F)c(Cl)c3)o2)SC(=S)N1c1cccc([N+](=O)[O-])c1 13546271 TXTNZRSGDVCISP-VCHYOVAHSA-N 460.895 6.053 10 50 JKCA CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(Cc4ccccc4Cl)C(=O)N=C3O)o2)cc1 16266513 HKRNMYQFGXXXJK-CPNJWEJPSA-N 478.888 5.279 10 50 JKCA CCc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccc(C(C)=O)cc3)C2=O)cc1 22228804 PQRZAUGEMRTWMM-RCCKNPSSSA-N 452.601 5.072 10 50 JKCA O=C1/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)C(O)=NC(=S)N1c1cccc(F)c1 661195 KDIRYLMZPFCABD-GZTJUZNOSA-N 458.923 5.895 10 50 JKCA COc1ccccc1/C=C1/C(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)N=C1O 2978929 OTLZEJPUAJZTNI-KGENOOAVSA-N 462.889 5.434 10 50 JKCA CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(c4ccc(Cl)cc4)N=C3C(F)(F)F)o2)cc1 2988066 NIWWWQCPMCZMRV-UYRXBGFRSA-N 488.849 6.125 10 50 JKCA O=C1/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)SC(=S)N1CCc1ccccc1 6142581 RQKOQMVUHHLXTP-DEDYPNTBSA-N 460.407 6.697 10 50 JKCA O=C1OC(c2ccc(Br)cc2)=C/C1=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 15723466 RXNGUNXHAYSTPL-UKTHLTGXSA-N 472.678 6.252 10 50 JKCA O=C1/C(=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(C(F)(F)F)=NN1c1ccccc1 16183689 AFYPHKXGKQLFHH-WJDWOHSUSA-N 461.783 5.857 10 50 JKCA COc1cc(C)ccc1OCCOc1ccc(Br)cc1/C=C1\SC(=S)N(C)C1=O 22310684 UMMBALPXABNDEI-UNOMPAQXSA-N 494.432 5.055 10 50 JKCA CCCC[C@H](CC)CN1C(=O)C2=C(c3ccco3)N(C[C@H](CC)CCCC)C(=O)C2=C1c1ccco1 115726820 LBTJWIAJSUGVEJ-SZPZYZBQSA-N 492.660 7.112 10 50 JKCA COc1cccc(CNc2sc3c(c2C(=O)Nc2cc(OC)ccc2OC)CCCC3)c1 2909399 DIEHPDGJCGKRJV-UHFFFAOYSA-N 452.576 5.517 10 50 JKCA CCCCN1C(=O)/C(=C\c2cc(-c3ccc(OC)c([N+](=O)[O-])c3)nn2-c2ccccc2)SC1=S 4820501 KEFLIHMWYPNARJ-PXLXIMEGSA-N 494.598 5.457 10 50 JKCA CCOC(=O)N1CCN(C(=O)Nc2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)CC1 22109445 ICBYDUWKIWDDSY-UHFFFAOYSA-N 479.540 5.395 10 50 JKCA COC(=O)c1ccc(N2C(=O)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)SC2=S)cc1 1910361 BBIOXHYMWRGVFV-IWIPYMOSSA-N 484.602 5.882 10 50 JKCA O=[N+]([O-])c1cccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4F)cc3[C@@H]3C=CC[C@H]32)c1 9010389 NMPCNLTVYJUYKI-IECBHUPTSA-N 465.506 5.361 10 50 JKCA CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3nc(-c4ccccc4)cs3)C2=O)cc1 13774057 SPNPVSHPXNNCSI-QNGOZBTKSA-N 493.679 5.993 10 50 JKCA CC(C)(C)c1ccc(/C=C2/SC(N3CCN(c4cccc5ccccc45)CC3)=NC2=O)cc1 2315233 YWWWHURNZNJEAZ-NCELDCMTSA-N 455.627 5.930 10 50 JKCA O=C(CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccc([N+](=O)[O-])cc1 8763433 NVOIGOXSNUWFJL-GHRIWEEISA-N 461.590 5.057 10 50 JKCA CCOc1ccccc1N/C(C)=C1\C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 18121976 COOZWCGOLLPQAW-QJOMJCCJSA-N 454.555 5.832 10 50 JKCA Cc1ccc(CN2C(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3cccs3)SC2=S)cc1 1771950 XXKNAQVILSTUGW-HMAPJEAMSA-N 473.648 6.311 10 50 JKCA CCC(/C=C1/Sc2ccc(OC)cc2N1CC)=C1\SC(=S)N(CCc2ccccc2)C1=O 2520675 DMTAZYDVBCFUBJ-IKLLWGIXSA-N 482.696 6.236 10 50 JKCA CCCCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(Cc4ccccc4)C(=O)N=C3O)o2)cc1 16193629 AENYOZVMFIETRK-CJLVFECKSA-N 472.497 5.406 10 50 JKCA CC(C)(C)C(=O)N[C@@H](NC(=S)Nc1ccc(/N=N/c2ccccc2)cc1)C(Cl)(Cl)Cl 16790471 WNZMHEXONUZIBK-AVGDDSQUSA-N 486.856 6.247 10 50 JKCA Cc1ccc(OCCn2cc(/C=C3/C(=O)NC(=O)N(C4CCCCC4)C3=O)c3ccccc32)cc1C 18190216 BZVCGUYLGFOKOE-UQQQWYQISA-N 485.584 5.132 10 50 JKCA CN(C)c1ccc([C@H]2Oc3c(Cl)cc(Cl)cc3[C@@H]3CC(c4ccc5ccccc5c4)=NN32)cc1 25578207 MGJJXFGSBNOHAP-XTEPFMGCSA-N 488.418 7.455 10 50 JKCA O=C(Oc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2)c1ccc(Cl)cc1Cl 227204528 SASCEZBLHNCZMR-KHCICDEESA-N 481.335 6.947 10 50 JKCA Cc1ccccc1OCC1=NN2C(=N)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)C(=O)N=C2S1 13750842 RAHRDEDEDIJCAX-QLSUFNALSA-N 476.945 5.607 10 50 JKCA Cc1ccccc1C(=O)NN1C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)SC1=S 1090180 DFMOOVCIVOLELS-JCMHNJIXSA-N 460.580 5.120 10 50 JKCA CCCOC(=O)c1cc(-c2ccc(/C=C3/C(=O)NN(c4ccc(CC)cc4)C3=O)o2)ccc1Cl 2125575 PPLVVUXLVMNWIO-QNGOZBTKSA-N 478.932 5.191 10 50 JKCA CC[n+]1c(C=C(C)/C=C2/Sc3ccccc3N2CC[C@H](C)S(=O)(=O)O)sc2ccccc21 6057228 HHGWLRNRKVHQRS-SFHVURJKSA-O 487.692 5.732 10 50 JKCA Cc1ccc(C(=O)N[C@@H](Nc2ccc(/N=N/c3ccccc3)cc2)C(Cl)(Cl)Cl)cc1 6245039 MORGDRJBAUNAKC-PNCZSKEESA-N 461.780 6.949 10 50 JKCA COc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1OCc1ccccc1Cl 15010722 JWMPVDADRUMBQN-JLPGSUDCSA-N 496.053 6.372 10 50 JKCA Cc1ccc(COc2ccccc2/C=C2/SC(=S)N([C@H](C(=O)O)c3ccccc3)C2=O)cc1 32694355 SDOXFSBAELIPCT-DWFNGTSHSA-N 475.591 5.601 10 50 JKCA O=C(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2)N1CCCc2ccccc21 35347560 NXUUFTRTEFEXGF-KHVXQDHOSA-N 451.526 6.014 10 50 JKCA Cc1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c(C)n1-c1ccc(Br)cc1 9730837 KSFXHPKJKBEMEW-SVYGEZFPSA-N 496.312 5.038 10 50 JKCA CN(C)c1ccc([C@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccc(F)cc4)=NN32)cc1 25901749 CBBPAFBHSFFNGC-ISKFKSNPSA-N 466.354 5.897 10 50 JKCA CCOc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Cl)c1OCCOc1cccc(OC)c1 2959807 AKMOCGWWLIHWOW-XDHOZWIPSA-N 480.007 5.036 10 50 JKCA COc1ccc(OCCOc2cccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c2)cc1 13893111 JOTPYCBIJRTLCP-ULJHMMPZSA-N 477.607 5.554 10 50 JKCA COc1cc(/C=C2/C(=O)N(Cc3ccccc3)C(=O)N=C2O)ccc1OC(=O)c1ccc(Cl)cc1 16193601 HMEYUFSMEACLOD-DEDYPNTBSA-N 490.899 5.070 10 50 JKCA COc1ccc(-c2csc(N3N=C(c4ccccc4)/C(=C/c4ccc5c(c4)OCO5)C3=O)n2)cc1 22108459 NHNKOXUDDMUERM-BKUYFWCQSA-N 481.533 5.382 10 50 JKCA COc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OC(=O)c1ccc(C)cc1 22215649 LSGMKAKMVUYTFW-GJQHCVRFSA-N 489.618 6.185 10 50 JKCA Cc1cnc(SCc2cccnc2)nc1[C@@H]1CCCN(C/C=C/c2ccc(N(C)C)cc2)C1 12243677 RFRUUHRDEUGUFJ-GGXQVSFTSA-N 459.663 5.431 10 50 JKCA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC(C)C)C2=O)c(C)c1 13618359 SVMYFOAZASDKFP-IWIPYMOSSA-N 491.682 6.494 10 50 JKCA CCOc1cc(/C=C2/SC(=S)NC2=O)cc(Cl)c1OCCCOc1cc(C)ccc1C 22257303 UZHUKKLURPKKBX-DEDYPNTBSA-N 478.035 5.692 10 50 JKCA CC1=NN(c2nc(-c3ccc(Br)cc3)cs2)C(=O)[C@@H]1/N=N/c1ccccc1O 100505234 IOFBMOSHDSLDCY-DUPNKOKHSA-N 456.325 5.153 10 50 JKCA O=C1/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)C(O)=NC(=S)N1c1ccccc1F 1185022 CHVKUHHQQYTTNL-DEDYPNTBSA-N 473.504 5.639 10 50 JKCA CC[C@@H](C)c1ccccc1OCCOc1c(Cl)cc(/C=C2\SC(=S)N(C)C2=O)cc1OC 9659650 REBRQDNIPKDRSS-XWCAUFEOSA-N 492.062 6.151 10 50 JKCA O=C(Oc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1Br)c1ccccc1 16247316 LWTINMXPSBVHIS-ZHZULCJRSA-N 496.407 6.074 10 50 JKCA COc1ccc(S(=O)(=O)Nc2cc(-c3c(O)ccc4ccccc34)c(O)c3ccccc23)cc1 1154831 QDCJDYWGYVPBDO-UHFFFAOYSA-N 471.534 5.881 10 50 JKCA CCOc1cccc(CN2CCC([C@@H](Cc3ccccc3F)N(C)C(=O)c3cccs3)CC2)c1O 14882586 ILXWLVLQNPZRSF-XMMPIXPASA-N 496.648 5.587 10 50 JKCA CC[C@H](C)N1C(=O)/C(=C/c2ccc(OC(=O)[C@H]3[C@@H](C=C(Cl)Cl)C3(C)C)cc2)SC1=S 22358392 YDVDPBCNHMNVHM-BRBQQKFNSA-N 484.470 6.183 10 50 JKCA CC[C@@H](C)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)SC1=S 1814406 JSZMOZWXCYPEEH-LRSOKBAUSA-N 479.627 5.556 10 50 JKCA COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2cc(Cl)cc(Cl)c2O)cc1 239433398 XPYHNJCMMCIDAV-REWPJTCUSA-N 475.759 6.603 10 50 JKCA CCOc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccccc4)o3)C(O)=NC2=S)cc1 1299108 LAECDPDUSBMBOV-XMHGGMMESA-N 450.541 5.501 10 50 JKCA C[C@H](N/C=C1/C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F)C12CC3CC(CC(C3)C1)C2 8430194 BUFHLSHLYFHOIL-BUMMCIKASA-N 474.552 5.640 10 50 JKCA COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)c(OC)c1OC 16193071 LRRWTIIDXXSDCF-NVNXTCNLSA-N 456.372 5.425 10 50 JKCA Cc1ccc(Sc2ccc(/C=C3/C(=N)N4N=C(COc5ccccc5)SC4=NC3=O)o2)cc1 30819175 NUSVLIZKWBROPR-HRXHUYTNSA-N 474.567 5.437 10 50 JKCA CCN1C(=O)/C(=C/c2ccc(OCCOc3ccc(Br)cc3)c(OC)c2)SC1=S 2993500 HULUCNLMGXGDMI-UYRXBGFRSA-N 494.432 5.137 10 50 JKCA COc1cccc(OCCOc2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)cc2Cl)c1 16247524 VJHJMFVHRCIDCN-HAHDFKILSA-N 498.025 6.212 10 50 JKCA CCCCOc1ccc(/C=C2/SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1 19878957 WDVDJZLEMOKKJK-LTGZKZEYSA-N 479.627 5.069 10 50 JKCA CCOC(=O)N1CCc2c(sc(NCc3ccc(C)o3)c2C(=O)Nc2ccccc2OCC)C1 920962 UGJVVDSHHDXYGC-UHFFFAOYSA-N 483.590 5.427 10 50 JKCA O=C1/C(=C/c2cc([N+](=O)[O-])ccc2OCCOc2ccccc2)SC(=S)N1c1ccc(F)cc1 3003377 ZYOHCZBAUOEDGM-JCMHNJIXSA-N 496.541 5.598 10 50 JKCA COc1cccc(CN2CCC([C@@H](Cc3ccccc3F)N(C)C(=O)c3ccoc3C)CC2)c1O 14994965 QTRMVRAKNRQVEZ-RUZDIDTESA-N 480.580 5.037 10 50 JKCA COc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccccc1 16193059 AJFLFUWIYOSGHN-XKZIYDEJSA-N 467.999 6.333 10 50 JKCA CC(C)OC(=O)c1c(NC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)sc2c1CCCCCCCCCC2 239030914 COLJMMIPQWNMNM-MOXQZVSFSA-N 489.678 6.218 10 50 JKCA CCCN1C(=O)c2ccccc2[C@H]1c1c([C@H]2c3ccccc3C(=O)N2CCC)c2ccccc2n1C 334163090 LJFMFQXCRHDGMO-IZLXSDGUSA-N 477.608 6.089 10 50 JKCA CCc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3nc4ccccc4s3)C2=O)cc1 1218287 RFHQDDJZHGCUHM-AQTBWJFISA-N 453.614 5.089 10 50 JKCA CCCc1cc2c(=O)c(-c3nc4ccccc4s3)c(C(F)(F)F)oc2c(CN(C)C)c1O 2667115 DBOIADXAJOEOPC-UHFFFAOYSA-N 462.493 5.808 10 50 JKCA O=C1/C(=C/c2ccc(OCCOc3ccccc3Cl)cc2)SC(=S)N1c1ccccc1 2977456 LUVUCJQBGKGDPX-JWGURIENSA-N 467.999 6.204 10 50 JKCA O=C1/C(=C\c2cccs2)SC(=S)N1CCCC(=O)N(Cc1ccccc1)c1ccccc1 8871677 YQLDUKGSFDDZFT-OQKWZONESA-N 478.664 5.963 10 50 JKCA O=C(O)c1cc(-c2ccc(/C=C3/SC(=S)N(c4cccc([N+](=O)[O-])c4)C3=O)o2)ccc1Cl 13546250 XKQHGNDHSKFMGG-VCHYOVAHSA-N 486.914 5.612 10 50 JKCA CCOc1cc(/C=C2\SC(=S)NC2=O)cc(Cl)c1OCCOc1ccc([C@@H](C)CC)cc1 13897662 WCJIXYDEBFQVQU-JTMDUIFQSA-N 492.062 6.199 10 50 JKCA Cc1ccc(S(=O)(=O)N2N=C(c3ccc(Br)cc3)C[C@@H]2c2ccc(N(C)C)cc2)cc1 16319771 KGABQQBIAUFNBT-XMMPIXPASA-N 498.446 5.364 10 50 JKCA CCCCC[C@@H]1CCN2c3c1cc(C(=O)O)cc3[C@@H]1C=CC[C@@H]1[C@H]2c1ccc(Br)cc1 248198379 SATVLVYEJAZVPV-SQTZCGGWSA-N 480.446 7.436 10 50 JKCA biogenic O=C1N=C(O)/C(=C\c2c(OCc3ccccc3F)ccc3ccccc23)C(=O)N1c1ccc(O)cc1 1178573 VKUPHZGGTYKYQZ-HZHRSRAPSA-N 482.467 5.770 10 50 JKCA Cc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C(=O)NC2=S)cc1 9295812 SFTZYMNNLIGWID-CIAFOILYSA-N 497.403 5.712 10 50 JKCA CN(C)c1ccc(CN2CCC(c3nnc(SC[C@H]4CCCO4)n3Cc3ccccc3)CC2)cc1 14995947 RPKQOMLTTMUAEO-AREMUKBSSA-N 491.705 5.043 10 50 JKCA CC1=NN(c2nc(-c3ccc(Br)cc3)cs2)C(=O)[C@H]1/N=N/c1cccc(O)c1 100505529 GJXYPAQFQVILJQ-AWZKZOKMSA-N 456.325 5.153 10 50 JKCA CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)NCc4ccc(Cl)cc4)c4ccccc34)[C@@H]21 1772501182 RVXIGPPHZJDKBG-MUUNZHRXSA-N 499.014 5.148 10 50 JKCA O=C1N=C(O)/C(=C\c2cc(Cl)ccc2OCc2ccccc2F)C(=O)N1c1ccc(O)cc1 1175718 XVHNMPNHOSZPPT-XDHOZWIPSA-N 466.852 5.270 10 50 JKCA COC(=O)c1c(C)sc(C(c2ccc3ccccc3c2)c2sc(C)c(C(=O)OC)c2O)c1O 12372138 HPAGLUNUASCGAR-UHFFFAOYSA-N 482.579 5.744 10 50 JKCA COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCc1ccccc1F 3001132 BAQHTLWUHMLQCW-UCQKPKSFSA-N 465.571 6.128 10 50 JKCA CCC1=NN2C(=N)/C(=C\c3c(C)n(Cc4ccccc4F)c4ccc(C)cc34)C(=O)N=C2S1 9554235 XBENZANSHFNTMZ-LZCIAKLXSA-N 459.550 5.475 10 50 JKCA CCOc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCc1ccccc1 16193233 NMXIPXCEIHSRRW-JLPGSUDCSA-N 461.608 6.379 10 50 JKCA CCCCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)SC1=S 25581354 RKRFXZVDABZOFI-CJLVFECKSA-N 492.626 6.229 10 50 JKCA CCCCOc1ccc(/C=C2\SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1 8768924 VRCWPSFZMKQUBB-JWGURIENSA-N 457.617 5.327 10 50 JKCA Oc1ccccc1CN1CCC(c2nnc(SCC3CCCCC3)n2C[C@H]2CCCO2)CC1 15067743 MDUBLLHHTBIMAZ-HSZRJFAPSA-N 470.683 5.215 10 50 JKCA COc1ccc(/C=C2/C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C(=O)N=C2O)c(OC)c1 15799438 GCBMGXDMLULCTQ-LPYMAVHISA-N 492.915 5.443 10 50 JKCA CCC1=NN2C(=N)/C(=C\c3cccc(OCCOc4cc(C)ccc4C(C)C)c3)C(=O)N=C2S1 16182884 LFSVUUQGOAQRGN-ZJRBDENDSA-N 476.602 5.605 10 50 JKCA O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C\c1cccc(OCc2ccccc2Cl)c1 22288826 IGVBZUVSYDXTSI-AQTBWJFISA-N 467.308 5.239 10 50 JKCA Oc1c(Cl)cc(Cl)cc1[C@@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3ccccc3)=NN21 25559498 ASRBWMHHDHHJKG-UGKGYDQZSA-N 490.184 6.704 10 50 JKCA O=[SH](=O)c1cc([SH](=O)=O)c2c(N=Nc3ccc(N=Nc4ccccc4)cc3)c(O)ccc2c1 245189299 OISMZZALJQNNIG-UHFFFAOYSA-N 480.527 5.317 10 50 JKCA CN(C)c1ccc([C@H]2Nc3ccccc3-c3nnc(SCc4ccccc4Cl)nc3O2)cc1 2087010 PWCQZDVVZHQSAM-QHCPKHFHSA-N 476.005 6.053 10 50 JKCA CCOc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)C(O)=NC2=S)cc1 2873476 MEOSZMGCPIDJMU-DEDYPNTBSA-N 477.498 5.234 10 50 JKCA COc1ccccc1OCCOc1ccc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)cc1 16267524 MBSSZTWGICPPNL-ULJHMMPZSA-N 493.606 5.567 10 50 JKCA COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2 226979287 PUWHSWLGZDUAMZ-UMEGOILYSA-N 470.481 5.427 10 50 JKCA COc1ccc(N2C(=O)/C(=C/c3cccc(OC(=O)c4ccco4)c3)SC2=S)cc1Cl 1135871 ICQFIEXCXJKERC-ODLFYWEKSA-N 471.943 5.567 10 50 JKCA COc1ccccc1OCCCOc1cccc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)c1 16193174 WUORRWCWSUEENX-BWAHOGKJSA-N 491.634 6.257 10 50 JKCA CCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2c(C)cc(C)cc2C)SC1=S 16790638 CISOZEMVLDZXPI-ULJHMMPZSA-N 489.710 7.246 10 50 JKCA C[C@@H](c1ccccc1)N1C(=O)/C(=C2/C(=O)N(Cc3ccccc3)c3ccccc32)SC1=S 25581012 XCANHBAVYHKNLM-ANZZGNCFSA-N 456.592 5.566 10 50 JKCA CCOc1ccccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@H](c3cc(Cl)cc(Cl)c3O)[C@H]2C1=O 245327713 PROHNLRRZLTDRT-MQSCRBSSSA-N 499.350 5.149 10 50 JKCA CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@H](C)CC)C2=O)cc1 2363926 PUWCCGZCAJFVJZ-JVDNRXPZSA-N 463.628 5.938 10 50 JKCA CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)SC1=S 2666027 LTEHLUUCZOSZPG-UQQQWYQISA-N 497.645 6.339 10 50 JKCA CCN1C(=O)/C(=C/c2cc(Cl)ccc2OCCOc2cccc(C(F)(F)F)c2)SC1=S 3004442 ZMFNBPZBEIVMIF-WQRHYEAKSA-N 487.952 6.038 10 50 JKCA COc1ccccc1OCCOc1cccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c1 13896890 KOQDGXNWPSXUHQ-QJOMJCCJSA-N 463.580 5.559 10 50 JKCA COc1ccccc1OCCn1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c2ccccc21 16267804 YOBJOWFQMLHSOQ-IWIPYMOSSA-N 490.606 5.723 10 50 JKCA CC1=NN(c2ccccc2)C(=O)/C1=C(\C=C\c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 16671072 UTGKLEUFBPSHRJ-DQWOSMAASA-N 488.341 6.247 10 50 JKCA CCc1ccc(Oc2c(C(F)(F)F)oc3c(CN4C[C@H](C)O[C@@H](C)C4)c(O)ccc3c2=O)cc1 19793046 XOOJCFHQWJTIQF-GJZGRUSLSA-N 477.479 5.481 10 50 JKCA O=C1N=C(O)/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C(=O)N1c1ccc(O)cc1 1185056 KKJLKRUUAMOOLQ-YBFXNURJSA-N 493.859 5.040 10 50 JKCA O=C(O)CCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC1=S 1452586 FSRVYXQOXYGCLR-UYRXBGFRSA-N 484.002 5.259 10 50 JKCA COc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OC(=O)c1ccc(C)cc1 18061350 LSGMKAKMVUYTFW-WSLHGYQHSA-N 489.618 6.185 10 50 JKCA Oc1ccc(Br)cc1[C@@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 25579390 GJJCJUAAIXWKPV-UGKGYDQZSA-N 490.184 6.704 10 50 JKCA CCC(=O)N(CC[C@]1(c2ccc(OC)cc2)CCOC(C)(C)C1)Cc1ccc(N(C)C)cc1 892478 VRNJWDWDZJRJPX-NDEPHWFRSA-N 452.639 5.417 10 50 JKCA biogenic O=C(O)c1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccccc2F)N3)cc1 6103604 CTTOGPAAVKCXEG-YDIMBITNSA-N 464.518 5.151 10 50 JKCA COc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)ccc1OC(=O)c1ccc(Cl)cc1 16193255 FKRDAEHJSRERFD-BKUYFWCQSA-N 499.972 6.113 10 50 JKCA O=C1N=C(N2CCC(Cc3ccccc3)CC2)S/C1=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 16212859 WFYDSCLZAFGFDW-JJIBRWJFSA-N 473.554 5.780 10 50 JKCA COc1ccc2c(c1)S[C@H](c1cccc(C(F)(F)F)c1)CCN2Cc1ccc2c(c1)OCO2 14968569 UFRNJBPOGXLSGS-QHCPKHFHSA-N 473.516 6.686 10 50 JKCA CCOc1c(Br)cc(/C=C2/C(=O)N(c3ccc(Cl)c(C(=O)O)c3)N=C2C)cc1OC 22170763 MLGFRRBRJSMKTF-VGOFMYFVSA-N 493.741 5.014 10 50 JKCA CCCCCC[C@]1(O)[C@@H](C)[C@@H](c2ccc(N(C)C)cc2)N[C@@H](c2ccc(N(C)C)cc2)[C@H]1C 239415408 UJSGOICYYICMBC-RTGMCIFYSA-N 451.699 6.178 10 50 JKCA COc1cc([N+](=O)[O-])ccc1N=Nc1c(Nc2ccccc2)ccc2cc(S(=O)(=O)O)cc(O)c12 257347928 ZKKXWYBZRLNAQS-UHFFFAOYSA-N 494.485 5.868 10 50 JKCA CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCC)C2=O)c2cc(Br)ccc21 16731948 VOWMZZFYYKANRV-MSUUIHNZSA-N 467.454 5.357 10 50 JKCA O=C(COC(=O)c1ccc2c3c1[C@@H]1C=CC[C@@H]1CN3C[C@@H]1CC=C[C@@H]21)c1ccc(-c2ccccc2)cc1 169616510 RPQFBESSZOJUTR-FICKONGGSA-N 487.599 6.546 10 50 JKCA COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2cc(Br)ccc2O)cc1 248257873 UIYHQXLOTCBVOF-REWPJTCUSA-N 485.765 6.059 10 50 JKCA COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(C)cc1 2844125 XWQFFNIYZMVHBF-HYARGMPZSA-N 482.026 6.642 10 50 JKCA O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(O)c(-c3c(O)ccc4ccccc34)c2)ccc1Cl 8871903 ATTOFOOSAFCVMT-UHFFFAOYSA-N 470.890 5.280 10 50 JKCA Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2/C(=O)N(c3cccc(Br)c3)C(=O)N=C2O)o1 15799748 YHTWBIAGZUJOKU-WOJGMQOQSA-N 495.285 5.222 10 50 JKCA COc1ccccc1OCCCOc1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc1 16192954 AAYREKGSTYQYHI-ULJHMMPZSA-N 495.597 6.088 10 50 JKCA O=C1/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)SC(=S)N1Cc1ccccc1 16479728 OVPFALNZCVBPEW-HMAPJEAMSA-N 462.552 5.575 10 50 JKCA COc1ccc(CCN2C(=O)/C(=C\c3ccc(Cl)c(Cl)c3)SC2=S)cc1OC 16790624 IQJVGKOSDKMWMJ-WOJGMQOQSA-N 454.400 5.455 10 50 JKCA Cc1ccccc1/N=N\c1ccc(N[C@@H](NC(=O)c2ccco2)C(=O)c2ccccc2)cc1C 100502206 XBXGFBORTDPYAL-XTUDTMOTSA-N 452.514 6.363 10 50 JKCA CCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)c(C)c2)SC1=S 2289651 RKCBGJMLPCFMAH-HAHDFKILSA-N 477.655 6.246 10 50 JKCA O=C1/C(=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)SC(=S)N1Cc1ccco1 2812695 AIOHYLWYKVXZGH-GRSHGNNSSA-N 494.396 6.706 10 50 JKCA O=C(O)[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S 8763367 NNXCPTRKZRTVNV-MVDPLZLPSA-N 490.389 6.281 10 50 JKCA COc1cccc(C(=O)N[C@@H](c2ccccc2Cl)c2cc(Cl)c3cccnc3c2O)c1 6427090 RGYWJLQSCQFCPG-NRFANRHFSA-N 453.325 5.775 10 50 JKCA CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C)C2=O)cc1 33363289 PUMWBWNKHWHVQH-HAVVHWLPSA-N 477.655 6.329 10 50 JKCA COc1cc([C@H]2CC(=O)Oc3c2c2nc4ccccc4nc2c2ccccc32)cc2c1OCCO2 217802540 LRDKRNLCDPQWLR-GOSISDBHSA-N 464.477 5.157 10 50 JKCA biogenic O=Cc1cc(/N=N/c2cccc(C(F)(F)F)c2)cc(/C=C/c2cccc(C(F)(F)F)c2)c1O 225387478 UQLLZLWGJNIUSN-XCSIPZCGSA-N 464.365 7.828 10 50 JKCA COC(=O)c1ccccc1-n1c(C)cc(/C=C2/C(=O)N(c3cc(C)cc(C)c3)C(=S)N=C2O)c1C 1164114 LWQNPZGMBYMBQB-HYARGMPZSA-N 487.581 5.169 10 50 JKCA O=C(O)CCCCCN1C(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S 1805119 MDUCNVKALUCHHB-GZTJUZNOSA-N 470.399 6.100 10 50 JKCA CCOC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2 229350128 PPYMPWKTHJMRHA-YZIHRLCOSA-N 484.508 5.817 10 50 JKCA CCOC(=O)C1=C(c2ccccc2)S/C(=C2/C(=S)C(C)(C)Nc3ccc(C)cc32)S1 2239933 IJVAWGZYIIRBLX-NKFKGCMQSA-N 453.654 6.650 10 50 JKCA COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCCCOc1ccc(C(C)(C)C)cc1 2882551 NOWMFJOTFISUNR-CJLVFECKSA-N 471.644 5.672 10 50 JKCA Oc1cc(Br)c(Br)cc1C1N(c2ccccc2)CCN1c1ccccc1 3082442 NVNYZBKLGNFDCY-UHFFFAOYSA-N 474.196 5.943 10 50 JKCA COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cc(Br)ccc2O)cc1 6924988 ADTALBIGUNGUOD-NZQKXSOJSA-N 451.320 5.406 10 50 JKCA N=C1/C(=C/c2ccc(OCc3ccccc3Cl)cc2)C(=O)N=C2SC(C(F)(F)F)=NN12 7003208 JKATUNSMWNPWAP-ZCRFMAPOSA-N 464.856 5.100 10 50 JKCA Oc1ccc(Br)cc1[C@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc(Cl)cc3)=NN21 25579406 GJJCJUAAIXWKPV-DENIHFKCSA-N 490.184 6.704 10 50 JKCA CC(C)N(CCNc1ccc(/N=N/c2ccc(S(=O)(=O)O)cc2)c2ccccc12)C(C)C 96026653 PZFRMFGMUYSXDM-CYYJNZCTSA-N 454.596 6.033 10 50 JKCA O=C(c1ccccc1)c1ccc(Cl)cc1Nc1cc(-c2ccccc2)c2cc(Cl)ccc2n1 252507017 WFFFQAUJNDFKHR-UHFFFAOYSA-N 469.371 8.183 10 50 JKCA O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(-c2cccc(Br)c2)o1 1194271 AJALTXZDCIWLKT-XNTDXEJSSA-N 478.129 5.477 10 50 JKCA O=C(Cn1cc(/C=C2/C(=O)N(c3cccc(F)c3)C(=S)N=C2O)c2ccccc21)Nc1ccccc1 3005243 AVWGKFNQODJPGB-LPYMAVHISA-N 498.539 5.091 10 50 JKCA CCCCOc1ccc(/C=C2/SC(N3CCN(c4cccc(Cl)c4)CC3)=NC2=O)cc1 2366884 XGGPTCUVFKARDW-CJLVFECKSA-N 456.011 5.311 10 50 JKCA CCOc1cc([C@@H](Nc2cc(C)ccn2)c2ccc3cccnc3c2O)ccc1OCc1ccccc1 6387486 YDDQFFMMAYWFAQ-GDLZYMKVSA-N 491.591 6.823 10 50 JKCA CCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c([N+](=O)[O-])c2)SC1=S 19800485 CXXXIPJCQJRPGE-DEDYPNTBSA-N 480.571 5.067 10 50 JKCA O=C1/C(=C/c2cn(Cc3ccccc3[N+](=O)[O-])c3ccccc23)SC(=S)N1c1ccc(F)cc1 3000577 SJCZGXWWNDHUBG-QRVIBDJDSA-N 489.553 6.143 10 50 JKCA CCOC(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C\C(C)=C\c3ccccc3)SC2=S)cc1 12017087 NFLKWFDEPAPYKB-JQILVBFNSA-N 480.611 5.040 10 50 JKCA CCOc1ccc(/C=C2/SC(=S)N(CCC(=O)N3CCC(Cc4ccccc4)CC3)C2=O)cc1 12017109 VBNDEWFHVMGQFC-LYBHJNIJSA-N 494.682 5.158 10 50 JKCA CCCCN1C(=O)/C(=C/c2ccc(OC(=O)/C=C/c3ccc(OC)cc3)cc2)SC1=S 2674249 NJRSWEDRRZIDLL-PXSLEKJFSA-N 453.585 5.315 10 50 JKCA COc1cccc(CN2CCC(c3nc(-c4ccncc4)ncc3-c3cccc(C)c3)CC2)c1O 14886271 CWQKHXMYFAMXAL-UHFFFAOYSA-N 466.585 5.608 10 50 JKCA COc1ccc(Cl)c2c1N[C@H](c1cc(Br)c(OC)c(OC)c1)[C@H]1CC=C[C@@H]21 15227911 ILPDQYFUSKJDHT-QHRIQVFBSA-N 450.760 5.955 10 50 JKCA COc1cc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@H]3C=CC[C@@H]32)cc(Br)c1OC 35331937 XYHKYEBAJQBIPV-JMERFSKESA-N 455.179 6.600 10 50 JKCA O=C1c2ccccc2C(=O)c2cc3c(cc21)N[C@@H]1CC[C@@H]2[C@@H]4CCCC[C@@H]4C(=O)[C@@H]4CC[C@@H]3[C@H]1[C@H]42 247756664 WVSXJYGUVHEAPF-UCXCZFLOSA-N 465.593 5.781 10 50 JKCA COc1ccc([C@H]2CC(c3ccc4ccccc4c3O)=NN2C(=O)c2ccc(C)cc2)cc1OC 9360792 BIKMAUCOTYEKSJ-RUZDIDTESA-N 466.537 5.863 10 50 JKCA O=C1/C(=C\c2cc([N+](=O)[O-])ccc2OCc2ccccc2Cl)SC(=S)N1Cc1ccccc1 22241935 LEZJQWRALWYVCB-LPYMAVHISA-N 496.997 6.229 10 50 JKCA CN(C)c1ccc([C@@H]2Oc3c(Cl)cc(Cl)cc3[C@H]3CC(c4ccc5ccccc5c4)=NN23)cc1 25578213 MGJJXFGSBNOHAP-IAPPQJPRSA-N 488.418 7.455 10 50 JKCA COc1c(Cl)cc(Cl)cc1[C@H]1N=NC(C2C(=O)c3ccccc3C2=O)=C[C@H]1c1ccccc1 136949399 IOTIIRMKYFXSFM-MBSDFSHPSA-N 477.347 6.872 10 50 JKCA CCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)c(C)c2)SC1=S 2305724 GNXCWUQGYFMRFJ-JLPGSUDCSA-N 491.682 6.636 10 50 JKCA CCOc1ccc(N2CCN(C(=O)c3cc4c(C)nn(-c5cccc(Cl)c5)c4s3)CC2)cc1 1776003118 VQTBKNSKBDLJOG-UHFFFAOYSA-N 481.021 5.410 10 50 JKCA Cc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2 6296282 GHLGNFXLUPXCKQ-DRLORSAXSA-N 465.018 6.584 10 50 JKCA O=C1/C(=C\c2cc(Br)c(O)c([N+](=O)[O-])c2)SC(=S)N1c1cccc(Cl)c1 9296515 JWOBZWVBGWAWBC-AWNIVKPZSA-N 471.741 5.122 10 50 JKCA CC(C)CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C)C2=O)cc1 13810017 ISCLVDNYJLUQEJ-JCMHNJIXSA-N 463.628 5.795 10 50 JKCA COc1ccc(O)c(CN2CCC([C@@H](Cc3ccccc3F)N(C)C(=O)c3cccs3)CC2)c1 14881217 IFUKWZYBHCRQSI-XMMPIXPASA-N 482.621 5.197 10 50 JKCA O=C1/C(=C/c2ccccc2Cl)SC(=S)N1CC(=O)N(Cc1ccccc1)c1ccccc1 2973092 LCESUONCSOFAKQ-JCMHNJIXSA-N 479.026 5.775 10 50 JKCA Cc1ccc(N2C(=O)N=C(O)/C(=C/c3c(C)[nH]c4ccc(Br)cc34)C2=O)cc1C 34234519 LPSLJBHXALDWRJ-ZDLGFXPLSA-N 452.308 5.362 10 50 JKCA COc1ccc2c(c1)S[C@H](c1ccc3c(c1)OCO3)CCN2Cc1c[nH]nc1-c1ccccc1 12151171 ADBULOSFSONIRQ-VWLOTQADSA-N 471.582 6.058 10 50 JKCA CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc1 13773692 CTALCHYOFNFDIT-UYRXBGFRSA-N 478.561 5.888 10 50 JKCA CCOC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)sc2c1CCCCCCCCCCC2 8455307 QUYLVXZCCZSRQF-RTBURBONSA-N 475.651 6.140 10 50 JKCA COc1ccccc1OCCOc1cccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1 13895051 FGMGVNFPPDVIGT-ULJHMMPZSA-N 477.607 5.554 10 50 JKCA O=C1/C(=C\c2cc([N+](=O)[O-])ccc2OCCCOc2ccccc2)SC(=S)N1c1ccccc1 15856308 VGVPHBVAXPIWHX-HAVVHWLPSA-N 492.578 5.849 10 50 JKCA CC(C)(C)c1ccc(N(/C=C/c2ccccc2)c2ccc3c(c2O)C(=O)c2ccccc2C3=O)cc1 12381704 PRADYHBINFRKCV-FMQUCBEESA-N 473.572 7.274 10 50 JKCA COc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)ccc1OCc1cccc(F)c1 1200704 RJAMQYJGLAMQSK-UDWIEESQSA-N 464.424 5.059 10 50 JKCA O=C1/C(=C\c2ccc(I)o2)SC(=S)N1c1ccc(Cl)c(Cl)c1 9310233 RQFNEEPHCCRAJH-IZZDOVSWSA-N 482.151 5.597 10 50 JKCA Cc1ccc(OCCOc2c(Cl)cc(Cl)cc2/C=C2\SC(=S)NC2=O)c(C)c1 15800210 JLEFJGGOKIXIDX-MFOYZWKCSA-N 454.400 5.557 10 50 JKCA O=C1N=C(N2CCN(c3cccc(Cl)c3)CC2)S/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 1183032 YPQDIFSQJBKBBU-JCMHNJIXSA-N 494.960 5.301 10 50 JKCA O=C1/C(=C\c2cn(Cc3ccccc3)c3ccccc23)SC(=S)N1c1cccc([N+](=O)[O-])c1 2185216 FNRXIONLWPIZFZ-YDZHTSKRSA-N 471.563 6.004 10 50 JKCA COc1cc(/C=C2/SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OC(=O)c1cccc(C)c1 2688723 YOUHZKNKBGKWQJ-MRSJDWDVSA-N 489.618 6.185 10 50 JKCA CCOc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Br)c1OCc1ccc(C)cc1 2848012 RFYJZEOGQSZTFQ-WOJGMQOQSA-N 478.433 5.566 10 50 JKCA CCN1C(=O)/C(=C\c2cccc(OC)c2OCCCOc2cccc(C)c2C)SC1=S 6470638 AFIBNJKTESFDGL-RCCKNPSSSA-N 457.617 5.381 10 50 JKCA COc1cc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)ccc1OCc1ccccc1Cl 15010839 CGCICASQKUNOJK-UUYOSTAYSA-N 483.014 5.724 10 50 JKCA CCOC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@H]2C3=C(C)C)sc2c1CC[C@@H](CC)C2 225633088 VAVYKRZJAZHPON-NPACWLSJSA-N 459.608 5.071 10 50 JKCA COc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=S)N(c4cccc(C)c4)C3=O)cc2)cc1 3003569 YDUXKZFYBZORAH-JCMHNJIXSA-N 497.619 5.177 10 50 JKCA CCN1C(=O)/C(=C/c2cc(OC)c(OCc3ccc(C)cc3)cc2Br)SC1=S 3003967 GEZJZYHHKGWATO-GRSHGNNSSA-N 478.433 5.566 10 50 JKCA CCN1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2OCCOc2cccc(C(F)(F)F)c2)SC1=S 3463746 XKNKNFGZFYICAK-WQRHYEAKSA-N 498.504 5.293 10 50 JKCA CC(C)CN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc3ccccc3c2)SC1=S 25581392 FCPJCWZAWGFRHC-BUVRLJJBSA-N 469.635 6.550 10 50 JKCA O=C1/C(=C/c2ccc(I)o2)SC(=S)N1c1cccc(C(F)(F)F)c1 1206658 XPCCVJDPJDATRG-XFFZJAGNSA-N 481.258 5.309 10 50 JKCA O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC(=S)N1C1CCCCC1 2532999 QCGCGCBAGLLHKM-JCMHNJIXSA-N 480.058 6.727 10 50 JKCA CCc1cc2c(=O)c(-c3ccc(F)cc3)c(C)oc2c([C@@H](c2ccccc2)N2CCCCC2)c1O 2891970 SIPCEFCRLCFFOL-HHHXNRCGSA-N 471.572 6.751 10 50 JKCA CC[C@H](C1=NN2C(=N)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=O)N=C2S1)c1ccccc1 16266143 MFAIHVLJDOROLQ-WUJKUKHTSA-N 485.525 5.668 10 50 JKCA N=C1/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N=C2SC(COc3ccccc3)=NN12 30952375 VBQGSRBFNJUEGG-JLFKZYKSSA-N 462.918 5.298 10 50 JKCA Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)cc1F 2533122 KFRFCMGBXVIYQH-UFAQQFSPSA-N 499.636 6.949 10 50 JKCA CCOC(=O)CN1[C@@H](c2ccccc2)c2cc(Br)ccc2N[C@H]1c1ccccc1O 12311685 XYBDVWYCNDIFCS-BJKOFHAPSA-N 467.363 5.234 10 50 JKCA CCCC[Sn](CCCC)(CCCC)CN(CCN=[N+]=[N-])C(=O)OC(C)(C)C 1083814335 LXJDRZJIMUWRKA-UHFFFAOYSA-N 489.293 6.922 10 50 JKCA COc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OCc1ccc(Cl)cc1 2668063 LLYNSNKHJUOHKW-HZRSJKMUSA-N 496.053 6.890 10 50 JKCA COCCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)SC1=S 2984564 RQROGGIAOBOTNC-WQRHYEAKSA-N 484.426 5.429 10 50 JKCA COc1ccc([N+](=O)[O-])c2c1N[C@H](c1cc(Br)c(OC)c(OC)c1)[C@H]1CC=C[C@@H]21 12628363 JNHSTODHMNAQFW-QHRIQVFBSA-N 461.312 5.210 10 50 JKCA O=C1/C(=C2\SC(=S)N(C3CCCC3)C2=O)c2ccccc2N1Cc1ccc(Cl)cc1 16700972 PCAPWXHLDNRSHS-VXPUYCOJSA-N 455.004 5.401 10 50 JKCA Cc1cccc(C)c1OCCOc1ccc(Br)cc1/C=C1\SC(=S)NC1=O 22228900 GFLJPTDZNFLGOA-BOPFTXTBSA-N 464.406 5.013 10 50 JKCA CCOc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCCCOc1ccc(CC)cc1 22257726 HBLYVIPNDJLGAN-CJLVFECKSA-N 457.617 5.327 10 50 JKCA O=C(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N2)N1CCCCCC1 101686302 CRXMZSSIDMULFK-ZFGGDYGUSA-N 451.408 6.292 10 50 JKCA Cc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)Nc4ccccc4F)C3=O)c2C)cc1 2938720 SKKNLZKHVXFGRC-LPYMAVHISA-N 463.534 5.217 10 50 JKCA COc1ccc2c(c1)S[C@H](c1ccc(F)c(F)c1)CCN2Cc1ccc(OCCO)cc1 11786448 RGGDASBRXQWGTM-DEOSSOPVSA-N 457.542 5.588 10 50 JKCA CCOc1ccc2ccc(OCC)c(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)c2c1 15010716 ORQQBFMBYWAKGP-ULJHMMPZSA-N 463.624 6.081 10 50 JKCA Cc1ccc(S(=O)(=O)Oc2cccc(/C=C3\SC(=S)N(c4ccccc4F)C3=O)c2)cc1 16193223 ZQJZSZACFSRFBN-STZFKDTASA-N 485.583 5.308 10 50 JKCA O=C(COC(=O)c1ccc2c3c1[C@@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@@H]21)c1ccc(-c2ccccc2)cc1 239403202 RPQFBESSZOJUTR-FPCALVHFSA-N 487.599 6.546 10 50 JKCA CC(=O)Nc1ccc(/N=N/c2cc(C(=O)Nc3ccccc3N(C)C)c(O)c3ccccc23)cc1 4044756 DJKGKFILGAZAOL-NVQSTNCTSA-N 467.529 6.238 10 50 JKCA CCOc1cc(/C=C2\SC(=S)NC2=O)cc(Cl)c1OCCOc1ccccc1[C@@H](C)CC 13943859 WBYJDUSFZMVPCC-JTMDUIFQSA-N 492.062 6.199 10 50 JKCA CCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc3ccccc3c2)SC1=S 19878950 HJRHRPRCQSEUSK-XQNSMLJCSA-N 455.608 6.304 10 50 JKCA COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCCSc1ccc(Cl)cc1 13940541 BLQFFTMMGYCOEF-LDADJPATSA-N 452.022 5.351 10 50 JKCA O=C(N[C@H](Nc1ccc(/N=N/c2ccccc2)cc1)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 25560039 HBOCNVDCLOYQKJ-IJOGZLALSA-N 492.750 6.548 10 50 JKCA O=C(O)[C@@H](c1ccccc1)N1C(=O)/C(=C\c2cccc(OCc3ccc(Cl)cc3)c2)SC1=S 32694362 VWEOZURNEMTWJL-QJUACMODSA-N 496.009 5.946 10 50 JKCA COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])c(C)c4)o3)SC2=S)cc1 1206087 NDBGTPYFGIVVFT-NDENLUEZSA-N 452.513 5.578 10 50 JKCA COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC(C)C)C2=O)c(C)c1 13646259 GNXKVYRKOUUQAL-XKZIYDEJSA-N 463.628 5.714 10 50 JKCA O=C(COc1ccccc1)N[C@H](c1ccccc1Cl)c1cc(Cl)c2cccnc2c1O 15821674 WWYHGNBGETZJPI-JOCHJYFZSA-N 453.325 5.532 10 50 JKCA O=C1N[C@@H](c2cc(Br)ccc2O)Nc2c1sc1nc(C(F)F)cc(C3CC3)c21 2766816 SASSXYLILLLDKK-KRWDZBQOSA-N 466.307 5.434 10 50 JKCA COc1cc(/C=C2/SC(=S)NC2=O)cc(Cl)c1OCCCOc1cc(C)cc(C)c1 2874310 VLCZGAMTBAQPEF-XDHOZWIPSA-N 464.008 5.302 10 50 JKCA CCCCCN1C(=O)/C(=C2/C(=O)N(CC(=O)Nc3ccc(C)c(C)c3)c3ccccc32)SC1=S 16730359 YLUSNNBKMHEDJT-FCQUAONHSA-N 493.654 5.050 10 50 JKCA COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)N(Cc1cc([N+](=O)[O-])cc(OC)c1O)CC2 22077981 HIRWERIBQUXYIX-XMMPIXPASA-N 484.936 5.127 10 50 JKCA CCCCCCc1c(C)c2ccc(O)c(CN(C)C[C@@H]3CCCN4CCCC[C@H]34)c2oc1=O 409413588 IZHNABCXIAWUAP-SQJMNOBHSA-N 454.655 5.626 10 50 JKCA biogenic Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c(Sc3ccccc3)nc12 1824633 IWFAFLBGGBIECF-UYRXBGFRSA-N 491.619 5.149 10 50 JKCA COc1ccc(C(=O)N[C@@H](c2ccc(OC)c(OC)c2)c2cc(Cl)c3cccnc3c2O)cc1 6397247 MFJNCURXIMDTRJ-QHCPKHFHSA-N 478.932 5.139 10 50 JKCA biogenic CCOCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(C)c(F)c2)SC1=S 16730082 XLSYRGJSLJATCR-JCMHNJIXSA-N 481.618 5.615 10 50 JKCA CCOc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Cl)c1OCCOc1ccccc1C 2960810 XZDHFJZYWKRFPI-CPNJWEJPSA-N 464.008 5.336 10 50 JKCA CCCCOc1ccccc1/C=C1/SC(N2CCN(c3cccc4ccccc34)CC2)=NC1=O 9369774 WMPFGADAHGRTNE-LHLOQNFPSA-N 471.626 5.811 10 50 JKCA CCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)cc2)SC1=S 33362537 FMBKEOJYVYVQGW-JJIBRWJFSA-N 491.682 6.575 10 50 JKCA O=C1/C(=C\c2ccc(-c3ccc(O)c([N+](=O)[O-])c3)o2)SC(=S)N1c1ccc(Cl)c(Cl)c1 37214357 SQTGZUJJHODBGT-GIJQJNRQSA-N 493.349 6.273 10 50 JKCA COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1C 33783237 ADNBPPLQADBJOR-VSIOZEBNSA-N 491.638 5.237 10 50 JKCA O=C(O)CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N2 217682693 AGLJHKDQSANDEZ-LLGFUMIMSA-N 498.423 5.755 10 50 JKCA CN1C(C(C)(C)C)=CC(c2ccccc2)=C/C1=C\C=C/c1cc(-c2ccccc2)cc(C(C)(C)C)[n+]1C 685944450 NKESVZRDTYCYBQ-UHFFFAOYSA-N 489.727 8.332 10 50 JKCA COc1ccc(N2C(=O)NC(=O)/C(=C/c3c(C)n(Cc4ccc(F)cc4)c4ccc(C)cc34)C2=O)cc1 1127987 QDEJGUIKALNXLQ-MYYYXRDXSA-N 497.526 5.121 10 50 JKCA O=C(O)c1cc(-c2ccc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)o2)ccc1Cl 2975928 NWSIRTZGRAGTPQ-MOSHPQCFSA-N 469.971 5.742 10 50 JKCA COc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Br)c1OCc1ccccc1C 13942100 VTQQUJJNVRIAPJ-LICLKQGHSA-N 464.406 5.176 10 50 JKCA COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 16267382 JLWPTAZKHLEENX-MTJSOVHGSA-N 482.539 5.177 10 50 JKCA CC[C@@H](C)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC1=S 2367487 RDWNZDJRGRKXCS-CTFRJJSNSA-N 454.020 6.192 10 50 JKCA C[C@H](c1ccccc1)N1C(=O)/C(=C2/C(=O)N(CC(=O)Nc3ccccc3)c3ccccc32)SC1=S 1833241 TXGTYOTZMFFGNZ-HNHDZATFSA-N 499.617 5.005 10 50 JKCA O=C(O)c1cc(-c2ccc(/C=C3\SC(=O)N(c4ccc(Cl)cc4)C3=O)o2)ccc1Cl 2165177 GYLHVLGLUVSKHH-ZDLGFXPLSA-N 460.294 6.193 10 50 JKCA COc1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)c2cc(Cl)c3cccnc3c2O)cc1 6397252 BEKCSNIMRKXEFV-NRFANRHFSA-N 453.325 5.775 10 50 JKCA biogenic CCC(=O)N1N=C(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)C[C@@H]1c1ccc(N(C)C)cc1 9211011 LYJDCAZWGUPCDY-RUZDIDTESA-N 499.014 6.002 10 50 JKCA CCOc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Br)c1OCc1ccccc1 15769421 ILRTVBFZVPNQPB-GZTJUZNOSA-N 464.406 5.258 10 50 JKCA CC[C@H](C)N1C(=O)/C(=C/c2c(Oc3ccc(C)cc3)nc3c(C)cccn3c2=O)SC1=S 1129936 FHBFNWHWGOFTPG-UEIJICEPSA-N 465.600 5.103 10 50 JKCA Cc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)cc1Cl 1160988 LGYSUCOKISLZBL-LFIBNONCSA-N 451.822 5.323 10 50 JKCA Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)cc(Cl)c2O[C@H]3c2cc(Cl)ccc2O)cc1 100702296 AOXNHDAMKHFIOZ-REWPJTCUSA-N 459.760 6.903 10 50 JKCA O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C(=O)N(c1ccc(/N=N\c3ccccc3)cc1)C2=O 101377748 VQGQXSABHWMWQZ-FLWNBWAVSA-N 491.463 6.063 10 50 JKCA Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C/c2cccc(OCc3ccccc3Cl)c2)C1=O 6767217 SDXFWKYICPKPJC-UYRXBGFRSA-N 481.335 5.547 10 50 JKCA Cc1cccc(Cn2cc(/C=C3\SC(=S)N(c4cccc(C(=O)O)c4)C3=O)c3ccccc32)c1 8986502 BNRAQQQNXWWXJU-OYKKKHCWSA-N 484.602 6.102 10 50 JKCA CCOc1cc(/C=C2\SC(=S)NC2=O)cc(Cl)c1OCCOc1cc(C)ccc1C 15800503 RSOQYHKQKAWKTH-UNOMPAQXSA-N 464.008 5.302 10 50 JKCA Cc1ccc(-c2ccc(/C=C3\C(=N)N4N=C(c5ccccc5)SC4=NC3=O)o2)c(Br)c1 16182888 ZJJGXQPQBSYFGH-NFBUKIRSSA-N 491.370 5.685 10 50 JKCA O=C(Oc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1)c1cccc([N+](=O)[O-])c1 16671063 CNSCPKFHVLCTHT-DEDYPNTBSA-N 462.508 5.220 10 50 JKCA CCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC)c(C)c2)SC1=S 2198535 DBZVPYYGNDVJOC-KQWNVCNZSA-N 477.655 6.248 10 50 JKCA CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@@H](C)CC)C2=O)c(C)c1 2671916 HHNKLLFWWDFFOC-JYBCESJWSA-N 477.655 6.246 10 50 JKCA CCCCC1=NN2C(=N)/C(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C(=O)N=C2S1 15837914 SYRDRLXVCHWXHE-ZQCYNNBZSA-N 486.557 5.407 10 50 JKCA CCOc1ccc(N2C(=O)/C(=C/c3c(C)[nH]c4ccc(Br)cc34)C(O)=NC2=S)cc1 1133824 XUOYIPYGEOHZCP-WOJGMQOQSA-N 484.375 5.309 10 50 JKCA O=C(O)c1cccc(N2C(=O)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)SC2=S)c1 1777287 CZUGDVKMYZSSTB-UCQKPKSFSA-N 470.575 5.794 10 50 JKCA CN1C(=O)/C(=C/c2cc(Cl)cc(Cl)c2OCCOc2ccc(Cl)cc2)SC1=S 2847962 XEBRCAYGOPQLDK-SXGWCWSVSA-N 474.818 5.936 10 50 JKCA CCOc1cc(/C=C2/SC(=S)NC2=O)cc(Cl)c1OCCCOc1ccc(C)c(C)c1 2878556 STYHATQECDOFJH-DEDYPNTBSA-N 478.035 5.692 10 50 JKCA O=S(=O)(Nc1cc(-c2c(O)ccc3ccccc23)c(O)c2ccccc12)c1ccc(F)cc1 2954928 QMHOADREOBOGDA-UHFFFAOYSA-N 459.498 6.011 10 50 JKCA CN(/C=C/c1sc2ccc(-c3ccccc3)cc2[n+]1CCCS(=O)(=O)O)c1ccccc1 2972340 NWXNBNOGBJHLME-UHFFFAOYSA-O 465.620 5.241 10 50 JKCA Cc1ccc(-c2ccc(/C=C3/SC(=S)N(c4cccc([N+](=O)[O-])c4)C3=O)o2)cc1Cl 2989582 CQRABXQATYUHGM-YBFXNURJSA-N 456.932 6.222 10 50 JKCA CCN1C(=O)/C(=C/c2ccccc2OCCOc2ccc(Br)cc2)SC1=S 2993925 CRLJOWOBBOSMER-AQTBWJFISA-N 464.406 5.128 10 50 JKCA O=C1/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)SC(=S)N1c1cccc(Cl)c1 6974482 OQWKGPLFJPILBL-VCHYOVAHSA-N 466.798 7.313 10 50 JKCA CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2cccc([N+](=O)[O-])c2)N3)cc1 14166012 DNXTXNYDHDNNII-UMFSSWHCSA-N 491.569 5.621 10 50 JKCA COc1cccc(CN2CCC([C@H](Cc3ccccc3F)N(C)C(=O)c3ccoc3C)CC2)c1O 14994967 QTRMVRAKNRQVEZ-VWLOTQADSA-N 480.580 5.037 10 50 JKCA O=C1/C(=C\c2cc([N+](=O)[O-])ccc2OCc2ccccc2F)SC(=S)N1Cc1ccccc1 15856722 JQQMPFLYZCDCJB-LPYMAVHISA-N 480.542 5.714 10 50 JKCA CC[C@@H](C)N1C(=O)/C(=C/c2c(Oc3ccc(C)cc3)nc3c(C)cccn3c2=O)SC1=S 1129933 FHBFNWHWGOFTPG-YZYPPFLQSA-N 465.600 5.103 10 50 JKCA O=C(C(=O)c1ccc(Oc2ccc(S(=O)(=O)c3ccc(O)cc3)cc2)cc1)c1ccccc1 3086334 AXQCPYHDIXGWAV-UHFFFAOYSA-N 458.491 5.083 10 50 JKCA Cc1cccc(NC(=O)COc2ccc(/C=C3/C(=O)N(c4ccc(C)c(C)c4)C(=O)N=C3O)cc2)c1 16226140 PKVPMKHMXYTUDA-BUVRLJJBSA-N 483.524 5.136 10 50 JKCA COc1cccc(C(=O)Oc2cccc(/C=C3\SC(=S)N(c4ccc(F)cc4)C3=O)c2)c1 16247154 MVSOLGGJWOGGED-BKUYFWCQSA-N 465.527 5.459 10 50 JKCA CCCCC1=NN2C(=N)/C(=C/c3cc(Cl)c(OC(=O)c4ccccc4)c(OC)c3)C(=O)N=C2S1 16247265 LDRHKFKRMOBEBK-XWEQHKKKSA-N 496.976 5.377 10 50 JKCA Cc1cc(OCCOc2c(Cl)cc(Cl)cc2/C=C2\SC(=S)NC2=O)ccc1Cl 13894165 ARNSUNVYOVLURN-PXNMLYILSA-N 474.818 5.902 10 50 JKCA CCN(CC)c1ccc(N2C(=O)/C(=C3/C(=O)Nc4ccc(Br)cc43)SC2=S)cc1 969620 PNRCAMPSDKUWIN-ZCXUNETKSA-N 488.432 5.023 10 50 JKCA Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(C)n1-c1ccc(Cl)cc1 15857540 QUWKEUNFUSNIRK-CIAFOILYSA-N 483.952 5.562 10 50 JKCA COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1F 16267340 ZGXHOPPDHNAWAI-HAHDFKILSA-N 452.489 5.493 10 50 JKCA CCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(C)c2)SC1=S 38204642 GOMRUCPQQGTBBD-PXLXIMEGSA-N 463.628 5.858 10 50 JKCA CC1=NN(c2nc(-c3ccc(Br)cc3)cs2)C(=O)[C@@H]1/N=N/c1ccc(O)cc1 100506100 QOYQMJIIRBDMDK-DUPNKOKHSA-N 456.325 5.153 10 50 JKCA COc1ccccc1OCCOc1ccc(Cl)cc1/C=C1\SC(=S)N(c2ccccc2)C1=O 2994181 KDDQRCQMPMKDDX-KQWNVCNZSA-N 498.025 6.212 10 50 JKCA COc1ccc2c(c1)S[C@@H](c1cccc(C(F)(F)F)c1)CCN2Cc1cccc(OC)c1OC 12217745 KANMJBUBUWXGDH-HSZRJFAPSA-N 489.559 6.975 10 50 JKCA Cc1cc(/C=C2/C(=O)N(c3cccc(Cl)c3Cl)C(=O)N=C2O)c(C)n1-c1ccccn1 16267085 FCHLKQPJFIPFPQ-RVDMUPIBSA-N 455.301 5.303 10 50 JKCA CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\c1c(C)nn(-c2ccc(Br)cc2)c1O 16672113 VGCYAXMGWPCKGB-MTJSOVHGSA-N 465.351 5.072 10 50 JKCA CCOC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@H]2C3=C(C)C)sc2c1CC[C@H](C(C)(C)C)C2 239439242 ZQEXFWGGECWIDK-FRVXDZGGSA-N 487.662 5.708 10 50 JKCA COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C(O)=NC2=S)cc1 2248923 ZJGHNZWFRHPWHQ-LFIBNONCSA-N 483.889 5.188 10 50 JKCA O=C1/C(=C/c2ccc(OCc3ccccc3[N+](=O)[O-])cc2)SC(=S)N1Cc1ccccc1 3003553 YPGXOXWZSIRJFO-HMAPJEAMSA-N 462.552 5.575 10 50 JKCA C[C@H](c1ccccc1)N1C(=O)/C(=C\c2c(NC3CCCCC3)nc3ccccn3c2=O)SC1=S 12383801 RTTKDIZNYMRUHI-GFXBCDTMSA-N 490.654 5.402 10 50 JKCA O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2)N1CCCc2ccccc21 222302971 NXUUFTRTEFEXGF-AZSVPQILSA-N 451.526 6.014 10 50 JKCA CCN(CC)Cc1c(O)ccc2c(=O)c(-c3ccc(OC)c(OC)c3)c(C(F)(F)F)oc12 939993 PVDGCCSFBCNVHP-UHFFFAOYSA-N 451.441 5.043 10 50 JKCA biogenic C[C@@H](c1ccccc1)N1C(=O)/C(=C2/C(=O)N(Cc3ccccc3Cl)c3ccccc32)SC1=S 2672465 AHQLDKLQGALCTI-GBWQBGJGSA-N 491.037 6.219 10 50 JKCA COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1cccc(F)c1 15013094 AUJVGAKMDJTVQG-JAIQZWGSSA-N 494.906 5.042 10 50 JKCA Cc1cc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c(C)n1-c1cccc(C(F)(F)F)c1 16662666 LRNGFDMCVWCJFQ-UHFFFAOYSA-N 481.484 6.454 10 50 JKCA COc1cc(OC)cc(C2=NN(C(=O)c3ccc(Br)o3)[C@H](c3ccc(N(C)C)cc3)C2)c1 170615649 MMCWAPSAGLXCQK-NRFANRHFSA-N 498.377 5.117 10 50 JKCA COc1ccc(-n2cccc2C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1 1151517 JDLDQZCOVKVUFK-UHFFFAOYSA-N 479.561 5.234 10 50 JKCA Cc1ccc2c(Cl)c(C(=O)N3CCN(c4ccc(OCc5ccccc5)cc4)CC3)sc2c1 2777057 GOJIQJKLTIMXBV-UHFFFAOYSA-N 477.029 6.405 10 50 JKCA Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)C2=O)cc1 8400531 MAMKINSTGPXQSS-RGVLZGJSSA-N 496.928 5.282 10 50 JKCA CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)NC34CC5CC(CC(C5)C3)C4)C2=O)cc1 12032380 MVIDCYPQLORZPX-XKZIYDEJSA-N 468.688 5.315 10 50 JKCA Cc1cc(/C=C2/C(=N)N3N=C(c4ccco4)SC3=NC2=O)c(C)n1-c1ccc(Br)cc1 16212722 FDLRWURSTAVCPR-GLGSTRKCSA-N 494.374 5.117 10 50 JKCA O=c1oc2c(CN3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@H]56)[C@@H]43)c(O)c(Cl)cc2c2c1CCC2 409414729 VPWAHDXHQXMJPT-WFDFDODZSA-N 481.036 5.036 10 50 JKCA biogenic O=C1/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(O)=NC(=S)N1c1ccc(F)cc1 1150523 MURYFVBWENEDTA-XNTDXEJSSA-N 471.853 5.319 10 50 JKCA O=c1c(-c2ccccc2)c(C(F)(F)F)oc2c(CN3CCN(Cc4ccccc4)CC3)c(O)ccc12 19793071 NMHHSVABUCDNQN-UHFFFAOYSA-N 494.513 5.502 10 50 JKCA CCC1=NN2C(=N)/C(=C\c3ccccc3OCCOc3cc(C)ccc3C(C)C)C(=O)N=C2S1 22289159 QPQYTJVQCBXQFZ-IOPUFQEFSA-N 476.602 5.605 10 50 JKCA O=C1c2ccccc2C(=O)c2c(OC(=O)C3[C@@H]4CCCC[C@@H]34)ccc(OC(=O)C3[C@@H]4CCCC[C@@H]34)c21 229932329 FUPVOQPJVDTFCY-BRSBDYLESA-N 484.548 5.145 10 50 JKCA CCCCOc1ccccc1/C=C1/SC(N2CCN(c3cccc(Cl)c3)CC2)=NC1=O 2310183 UQSPGHJHDXCYNL-CJLVFECKSA-N 456.011 5.311 10 50 JKCA COc1cccc(C(=O)N[C@@H](c2ccc(Cl)cc2)c2cc(Cl)c3cccnc3c2O)c1 6427080 XBNOUKQXFJYQLG-NRFANRHFSA-N 453.325 5.775 10 50 JKCA CN(C)c1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@@H]3ON2c2ccccc2)cc1 226980566 KRJYEFZBUAXKED-YTFSRNRJSA-N 482.367 5.111 10 50 JKCA Cc1onc(-c2ccccc2)c1C(=O)N1CCN(c2ccc(OCc3ccccc3)cc2)CC1 648023 OOXHGUIIJFQLBH-UHFFFAOYSA-N 453.542 5.191 10 50 JKCA COc1ccc(C(=O)N[C@@H](c2cccc([N+](=O)[O-])c2)c2cc(Cl)c3cccnc3c2O)cc1 1170051 LIMGKWBEKKPEIJ-NRFANRHFSA-N 463.877 5.030 10 50 JKCA COc1cccc(O)c1CN1CCC([C@@H](Cc2ccccc2F)N(C)C(=O)c2ccoc2C)CC1 15008708 SLVDAARJQJSIIL-RUZDIDTESA-N 480.580 5.037 10 50 JKCA O=c1c(Oc2ccccc2Cl)c(C(F)(F)F)oc2c(CN3CCCCC3)c(O)ccc12 19793002 GYNPXMVIJNPXHD-UHFFFAOYSA-N 453.844 5.949 10 50 JKCA CCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC)cc2C)SC1=S 2195444 SHZQDWXMIAJDOS-KQWNVCNZSA-N 477.655 6.248 10 50 JKCA CCN1C(=O)/C(=C\c2ccc(OCCCOc3cc(C)ccc3C)c(OC)c2)SC1=S 6470507 AYLLWNASXBAKON-PXLXIMEGSA-N 457.617 5.381 10 50 JKCA CCOC(=O)COc1c(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cccc1OC 16267478 JQJKYIFOSNQWTE-YVLHZVERSA-N 497.516 5.062 10 50 JKCA CCc1ccc(Oc2c(C(F)(F)F)oc3c(CN4C[C@@H](C)O[C@H](C)C4)c(O)ccc3c2=O)cc1 19793047 XOOJCFHQWJTIQF-HUUCEWRRSA-N 477.479 5.481 10 50 JKCA CCOc1cc(/C=C2/SC(=S)N(CCCCCCCCCCC(=O)O)C2=O)ccc1O 6600439 XBGGLOIRWULQOT-CAPFRKAQSA-N 465.637 5.588 10 50 JKCA CC(=O)N[C@@H](NC(=S)Nc1ccc(/N=N/c2ccccc2C)cc1C)C(Cl)(Cl)Cl 15919682 VCYRUPBRKOLUJP-QUNNOBFSSA-N 472.829 5.838 10 50 JKCA CCCC[C@H](CC)CN1C(=O)/C(=C2/C(=O)N(CC)c3ccc(Br)cc32)SC1=S 16730251 DWHIMIJTEUKSGV-FKEVTRRJSA-N 481.481 5.603 10 50 JKCA O=C(CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1ccccc1C(F)(F)F 1145757 AJCRHMPDAOVWPH-WQRHYEAKSA-N 494.516 5.054 10 50 JKCA O=C(CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1ccccc1C(F)(F)F 2304249 AXHDFWMZXSCUOO-ATVHPVEESA-N 484.952 5.979 10 50 JKCA CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC)C2=O)cc1C 2375167 OSFPQJCLRWQPPP-KQWNVCNZSA-N 477.655 6.248 10 50 JKCA O=C1N=C(O)/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)C(=O)N1c1cccc([N+](=O)[O-])c1 16156352 YHFWIQBWXBWAFU-MTJSOVHGSA-N 477.860 5.334 10 50 JKCA CC(C)c1ccccc1Oc1c(C(F)(F)F)oc2c(CN3CCN(C)CC3)c(O)ccc2c1=O 19691349 QZDLONAMQBKGMT-UHFFFAOYSA-N 476.495 5.181 10 50 JKCA COc1ccc(N2CCN(C(=O)c3ccc4c(c3)[C@@H]3[C@H]5CC[C@@H](C5)[C@H]3[C@@H](c3ccccc3)N4)CC2)cc1 239164857 NATSMZNMWIDBHL-RKUJMZMUSA-N 493.651 5.954 10 50 JKCA Cc1ccc(OCCOc2ccc(Br)cc2/C=C2/SC(=S)N(C)C2=O)cc1 2962210 CWBMSWRUBQUYKF-LDADJPATSA-N 464.406 5.046 10 50 JKCA COc1ccc2c(c1)S[C@@H](c1ccc(OC)c(C)c1)CCN2Cc1cccc2nccnc12 11913587 VRPKUKFXASREBE-RUZDIDTESA-N 457.599 6.199 10 50 JKCA COc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Cl)c1OCCCOc1cc(C)cc(C)c1 2878392 BNYFDTWTIFDAKP-DEDYPNTBSA-N 478.035 5.644 10 50 JKCA CCOC(=O)C(C(=O)OCC)c1cc(Nc2ccc(C)cc2)c2c3c(onc13)-c1ccccc1C2=O 8921276 PFVHMRJLUUJQEJ-UHFFFAOYSA-N 484.508 5.301 10 50 JKCA CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OC(=O)c1cccc(OC)c1 16247059 VMHADOZRWONQCR-LPYMAVHISA-N 490.943 5.773 10 50 JKCA COc1ccc(/C=C/C(=C2/C(=O)N(c3ccccc3)N=C2C)c2ccc(Br)cc2)cc1 100544256 LKWYYEGXTIKBQC-DHIBLYDSSA-N 473.370 6.347 10 50 JKCA CCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4cc(Cl)cc(Cl)c4O)[C@H]3C2=O)cc1 245326860 MKHNEAQWPHFKIP-MQSCRBSSSA-N 499.350 5.149 10 50 JKCA CCOc1cc(/C=C2\SC(=S)NC2=O)ccc1OCCOc1ccc([C@@H](C)CC)cc1 15800570 VDJNDBNDGARYSN-AABCQZNVSA-N 457.617 5.545 10 50 JKCA CCCCCCN1C(=O)/C(=C2/C(=O)N(CCCCC)c3ccc(Br)cc32)SC1=S 16730972 QKQUDZCSPUMAMO-HNENSFHCSA-N 495.508 6.138 10 50 JKCA Cc1cccc(OCCCOc2ccccc2/C=C2/SC(=S)N(Cc3ccccc3)C2=O)c1 22241860 DFWHXPVLFWRQCG-XIEYBQDHSA-N 475.635 6.244 10 50 JKCA CCOC(=O)c1c(NC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)sc2c1CCCCCCCCCCC2 138472424 QDPCATIORLNJPG-YHDSQAASSA-N 489.678 6.220 10 50 JKCA Cc1ccc(-c2ccc(/C=C3/SC(=S)N(CCCCCC(=O)O)C3=O)o2)c([N+](=O)[O-])c1 2381890 DEVZUPNNDGEFHF-LDADJPATSA-N 460.533 5.009 10 50 JKCA COc1ccc(-c2csc(N3N=C(c4ccccc4)/C(=C/c4ccc(OC)c(OC)c4)C3=O)n2)cc1 22108775 GOVRZGIDAQHANT-JCMHNJIXSA-N 497.576 5.670 10 50 JKCA CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C[C@@]12O[C@]1(C)C(=O)c1ccccc1C2=O 38842630 TUZHANAISKEZFG-HMLRROJISA-N 460.658 8.129 10 50 JKCA in-vitro COc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc(Br)c1O 1188699 NFLVSIWCPOWURY-VGOFMYFVSA-N 456.770 5.223 10 50 JKCA CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@@H](C)CC)C2=O)cc1 2363929 PUWCCGZCAJFVJZ-WPGBELRESA-N 463.628 5.938 10 50 JKCA COc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)cc(Cl)c1OCc1ccc(F)cc1 8453063 AKYWUGIDLOFBNV-SXXRJMFASA-N 486.956 5.342 10 50 JKCA CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCCCCC3)=NC2=O)cc1C 19912693 IXFFBFLPSZMUPW-BWAHOGKJSA-N 486.641 6.093 10 50 JKCA Cc1ccccc1N1C(=O)/C(=C/c2cn(Cc3ccccc3[N+](=O)[O-])c3ccccc23)SC1=S 3460491 KDYPHXDYAOMTDH-OYKKKHCWSA-N 485.590 6.312 10 50 JKCA N=C1/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)C(=O)N=C2SC(SCc3ccccc3)=NN12 8952064 MOTHLVODTZZKQW-QDLOHUEYSA-N 488.550 5.155 10 50 JKCA CCn1cc(CN2CC[C@H](c3cc4c(cc3Cl)OCO4)Sc3cc(OC)ccc32)c(C)n1 14995190 KWAMUKISSRLDHT-HSZRJFAPSA-N 472.010 5.846 10 50 JKCA Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)O)c(Cl)c4)o3)C(O)=NC2=S)cc1 15685524 LMMKXGUUUSMBCX-GZTJUZNOSA-N 466.902 5.278 10 50 JKCA CCOc1cc(/C=C2\C(=N)N3N=CSC3=NC2=O)ccc1OCc1c(Cl)cccc1Cl 16265886 MTLLVTMXJSZHAM-XTZCXQHVSA-N 475.357 5.220 10 50 JKCA COc1ccc(N2CCN(C(=O)c3cc(-c4cc(C)ccc4C)nc4c(C)cccc34)CC2)cc1 20357328 GOZQLXCFBFWIHH-UHFFFAOYSA-N 465.597 5.798 10 50 JKCA Oc1c(Cl)cc(Cl)cc1[C@H]1Oc2ccc(Br)cc2[C@H]2CC(c3ccccc3)=NN21 25559510 ASRBWMHHDHHJKG-DENIHFKCSA-N 490.184 6.704 10 50 JKCA O=C1N=C(N2CCN(c3ccc(Cl)cc3)CC2)S/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 1182483 CRQDFIPVAJAHPZ-JCMHNJIXSA-N 494.960 5.301 10 50 JKCA COc1ccccc1[C@H](CCN(Cc1ccc(N(C)C)cc1)C(C)=O)[C@@H]1CCOC(C)(C)C1 9968612 WWIWRKVMHGAVAS-ILBGXUMGSA-N 452.639 5.489 10 50 JKCA O=[N+]([O-])c1ccc([C@@H]2[C@@H]3CC=C[C@@H]3c3cc(I)cc4c3N2C[C@@H]2CC=C[C@H]42)cc1 229936840 VFYVHHBUHDGGNX-REJRFELZSA-N 496.348 6.094 10 50 JKCA COc1cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(OC)c1OC(C)=O 1065483 GDLJVHZLTKEXKX-RQZCQDPDSA-N 483.489 5.054 10 50 JKCA O=C(O)c1cc(-c2ccc(/C=C3/NC(=O)N(Cc4ccc(Cl)cc4)C3=O)o2)ccc1Cl 6975266 JPWIGHZPMJESLL-VCHYOVAHSA-N 457.269 5.045 10 50 JKCA O=C1N=C(O)/C(=C\c2c(OCc3cccc(F)c3)ccc3ccccc23)C(=O)N1c1ccc(O)cc1 1175237 LJBVRPYQHRRXEL-BUVRLJJBSA-N 482.467 5.770 10 50 JKCA COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C3CCCC3)C2=O)cc1Cl 2533277 JQHZXLSVOJGAEU-HMAPJEAMSA-N 496.057 6.345 10 50 JKCA COc1ccc2c(c1)S[C@@H](c1ccccc1OC)CCN2Cc1cccc(OCCO)c1 12248091 JBFKARYVDHMFJO-RUZDIDTESA-N 451.588 5.319 10 50 JKCA CC1=NN(c2nc(-c3ccc(Br)cc3)cs2)C(=O)[C@H]1/N=N/c1ccc(O)cc1 100506103 QOYQMJIIRBDMDK-AWZKZOKMSA-N 456.325 5.153 10 50 JKCA Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)C2=O)cc1 6431615 LKVSZWDZKOYEPG-IMRQLAEWSA-N 475.548 5.736 10 50 JKCA COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OCc1cccc(C)c1 9294942 PCUOWVNGZOGIGF-BUVRLJJBSA-N 461.608 5.984 10 50 JKCA CCOc1cc(/C=C2/SC(Nc3ccc4ccccc4c3)=NC2=O)cc(Cl)c1OCC(=O)O 33293499 ACGNBGCZLANJSP-RGVLZGJSSA-N 482.945 5.438 10 50 JKCA COc1ccc(Br)cc1[C@H](Nc1ccccn1)c1cc(Cl)c2cccnc2c1O 6426482 FIXWEYLSDBHGRU-FQEVSTJZSA-N 470.754 5.961 10 50 JKCA CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OC(=O)c1ccccc1F 16247635 VKNQRNOFCFSBIH-HAHDFKILSA-N 493.581 5.845 10 50 JKCA COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCCOc1ccccc1 3000477 WWLXEJIPXBLVDM-ULJHMMPZSA-N 477.607 5.867 10 50 JKCA CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CC(C)C)C2=O)cc1 25581364 IYJCULGDIRCFDB-HYARGMPZSA-N 463.628 5.795 10 50 JKCA CCc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccccc3C(F)(F)F)C2=O)cc1 1902594 OFKJUHZHTSHGIG-AQTBWJFISA-N 464.534 5.498 10 50 JKCA O=C1N=C(O)/C(=C\c2ccc(OCc3cccc(F)c3)c(Cl)c2)C(=O)N1c1ccc(O)cc1 2810598 BHFODGGYVKDHPX-YBFXNURJSA-N 466.852 5.270 10 50 JKCA COc1ccc(Oc2c(C(F)(F)F)oc3c(CN4CCCCCC4)c(O)ccc3c2=O)cc1 19789773 WCJIALXBUPZRPU-UHFFFAOYSA-N 463.452 5.694 10 50 JKCA CCCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc3ccccc3c2)SC1=S 25581308 LOVIQUAJYRQKBG-XIEYBQDHSA-N 483.662 7.084 10 50 JKCA Cc1ccc(-c2ccc(/C=C3/SC(=S)N([C@H](C(=O)O)c4ccccc4)C3=O)o2)c([N+](=O)[O-])c1 1805156 REYBWBRZKCXMLY-RQRMZWKBSA-N 480.523 5.190 10 50 JKCA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@H](C)CC)C2=O)c(C)c1 2671908 NBVMGLFNXKLCEG-VKINRBECSA-N 491.682 6.636 10 50 JKCA COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OC(=O)c1ccc(C)cc1 2814239 XZXJQCIGHABCMS-HZHRSRAPSA-N 475.591 5.624 10 50 JKCA O=C(NC(=S)Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccccc1Br 2145459 GPABDBHIQXVHPR-UHFFFAOYSA-N 473.779 5.460 10 50 JKCA C[C@H](c1ccccc1)N1C(=O)/C(=C2/C(=O)N(Cc3ccccc3Cl)c3ccccc32)SC1=S 2672466 AHQLDKLQGALCTI-KJXVGZKYSA-N 491.037 6.219 10 50 JKCA CCOc1cc(/C=C2/SC(=S)NC2=O)ccc1OCCCOc1ccc(Cl)c(C)c1 2874390 XXVDVFSEZVNKQZ-DEDYPNTBSA-N 464.008 5.384 10 50 JKCA Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)N(Cc3ccccc3)c3ccccc3)C2=O)cc1 8714029 GPWFGCPBHPIKSW-PLRJNAJWSA-N 486.662 6.210 10 50 JKCA C[C@H]1C[C@H]2[C@H](c3ccccc3)c3ccc(O)c(O)c3O[C@]23NC(=S)N[C@@H](c2ccccc2)[C@H]3C1 248339279 SPOYDIYBWAWZLV-ZUONLNHASA-N 472.610 5.200 10 50 JKCA COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])c(Cl)c4)o3)SC2=S)cc1 9296711 DAXYNXHRUGVITN-YBFXNURJSA-N 472.931 5.923 10 50 JKCA CCN1C(=O)/C(=C\c2cc(OC)c(OCc3ccc(Cl)c(Cl)c3)c([N+](=O)[O-])c2)SC1=S 15856152 OKUKEIYMEVNFSJ-RQZCQDPDSA-N 499.397 5.710 10 50 JKCA COCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(Cl)c2)SC1=S 16730228 DLTJVDWEYXFMPH-MOSHPQCFSA-N 486.018 5.049 10 50 JKCA CN(C(=O)c1ccco1)[C@H](Cc1ccc(F)cc1F)C1CCN(Cc2cc(Cl)ccc2O)CC1 11788038 ZMTYNTYMAJPFJO-HSZRJFAPSA-N 488.962 5.512 10 50 JKCA Cc1cccc(Cn2cc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c3ccccc32)c1 15800664 YRXKEPRAAUPWMQ-MYYYXRDXSA-N 454.620 6.399 10 50 JKCA Cc1ccc(C)c(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C3CCCCC3)C2=O)c1 33352640 YTWIFZSEPJTPEN-LFVJCYFKSA-N 473.667 6.690 10 50 JKCA COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(F)c(Cl)c3)C2=O)cc1OC 1166133 BZCKXIFLSNEUDB-ODLFYWEKSA-N 494.997 5.116 10 50 JKCA O=C1C(=CNc2ccc(Cl)cc2Cl)C(=O)N(C2CCCCC2)C(=O)N1C1CCCCC1 6974344 ALCNVCYKFVZAGD-UHFFFAOYSA-N 464.393 5.745 10 50 JKCA COc1c(-c2cc(O)c(O)c(CC=C(C)C)c2)oc2c(CC=C(C)C)c(O)cc(O)c2c1=O 199432925 ZHPPCSQOTUZTHR-UHFFFAOYSA-N 452.503 5.308 10 50 JKCA biogenic COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 13940917 RYJVJZATRFEFEY-BKUYFWCQSA-N 492.534 5.228 10 50 JKCA COc1ccc(/C=C2/C(=O)N(c3ccc(Br)cc3)N=C2c2ccccc2)c(OC)c1 15636031 OJHCTDSJSOCTFM-KGENOOAVSA-N 463.331 5.301 10 50 JKCA CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C[C@]12O[C@]1(C)C(=O)c1ccccc1C2=O 103579161 TUZHANAISKEZFG-AQFDCJJKSA-N 460.658 8.129 10 50 JKCA in-vitro Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2ccc(C(=O)O)cc2)N3)cc1C 107173395 XCBONKHCCRJMNW-MVERNJQCSA-N 474.582 5.629 10 50 JKCA CCN1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2OCCOc2ccc(Cl)c(C)c2)SC1=S 2863908 WOMBENPLNYRXQF-UNOMPAQXSA-N 478.979 5.236 10 50 JKCA Cc1cccc(OCCOc2cccc(/C=C3/C(=N)N4N=C(c5ccccc5)SC4=NC3=O)c2)c1 3854425 WTLLJLFZPVLGLJ-ZSEUTSBQSA-N 482.565 5.120 10 50 JKCA COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OC(=O)c1ccc(C)cc1 15798976 UWMFZIQCILISAJ-BKUYFWCQSA-N 465.552 5.217 10 50 JKCA Cc1ccc(S(=O)(=O)Nc2c(C)cc(O)c(Sc3nc4ccccc4s3)c2C)cc1 2979534 MNUPDYVSRDTGOH-UHFFFAOYSA-N 456.614 5.879 10 50 JKCA CN(C)c1ccc(/C=C2\C(=O)N(c3nc(-c4ccc(Cl)cc4)cs3)N=C2c2ccccc2)cc1 4046361 CCINOYYRPBHKGG-KQWNVCNZSA-N 485.012 6.364 10 50 JKCA CC[C@@H]1CCCCN1Cc1c(O)ccc2c(=O)c(-c3ccc(OC)c(OC)c3)c(C(F)(F)F)oc12 4283337 BFGIHWNLHQPMKH-MRXNPFEDSA-N 491.506 5.966 10 50 JKCA biogenic CCCCN1C(=O)/C(=C\c2cc(-c3c(C)cc(C)cc3C)nn2-c2ccccc2)SC1=S 4820495 ONXVDINCRSQJNB-XQNSMLJCSA-N 461.656 6.466 10 50 JKCA CCCC[C@@H](CC)CN1C(=O)/C(=C/c2c(NCc3ccco3)nc3ccccn3c2=O)SC1=S 8915521 PCKKHMJYBHOOLL-LCJWNIEWSA-N 496.658 5.317 10 50 JKCA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C(C)C)C2=O)cc1C 2306534 IQDBBSGNPHWPDL-HAHDFKILSA-N 477.655 6.246 10 50 JKCA COc1cccc(Oc2cccc3c2C(=O)c2cccc(Oc4cccc(OC)c4)c2C3=O)c1 19899036 VRFFVSGUPXBZKH-UHFFFAOYSA-N 452.462 6.064 10 50 JKCA CCCCCCC1(O)[C@H](C)[C@H](c2ccc(N(C)C)cc2)N[C@@H](c2ccc(N(C)C)cc2)[C@H]1C 239415409 UJSGOICYYICMBC-TUJIQRHUSA-N 451.699 6.178 10 50 JKCA CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCC(=O)OC 1134850 ABHJVTAMBQVENY-VCHYOVAHSA-N 497.516 5.062 10 50 JKCA COc1ccc(-c2ccc(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)o2)c([N+](=O)[O-])c1 1178903 OOCLEPFRQFJOCD-UDWIEESQSA-N 452.513 5.265 10 50 JKCA COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OC(=O)c1ccccc1F 2822899 JZLREIQYTXFWFJ-HMAPJEAMSA-N 479.554 5.768 10 50 JKCA O=C1/C(=C\c2ccc(COc3ccc(Cl)cc3[N+](=O)[O-])o2)SC(=S)N1Cc1ccccc1 8455260 MQDNIMMSWORRPR-RGVLZGJSSA-N 486.958 5.822 10 50 JKCA CC[C@H](C)c1ccc(OCCCOc2c(/C=C3/SC(=S)N(C)C3=O)cccc2OC)cc1 22257605 CKJMGYORRGXBHA-JMMZKRSASA-N 471.644 5.888 10 50 JKCA CCc1cc2c(=O)c(-c3cnn(-c4ccccc4)c3)c(C(F)(F)F)oc2c(CN2CCCCC2)c1O 2581669 UJVCLQLOSVIRHJ-UHFFFAOYSA-N 497.517 5.918 10 50 JKCA O=C1/C(=C\c2ccc(-c3ccccc3OC(F)(F)F)o2)SC(=S)N1c1cccc([N+](=O)[O-])c1 2997303 BKCHPIGQDIVUBA-WOJGMQOQSA-N 492.456 6.159 10 50 JKCA O=C1/C(=C\c2cn(Cc3ccccc3F)c3ccccc23)SC(=S)N1c1ccc([N+](=O)[O-])cc1 4083391 IBELEUPGNHWOJS-YDZHTSKRSA-N 489.553 6.143 10 50 JKCA CCC1=NN2C(=N)/C(=C\c3ccc(OCCCOc4cccc(C)c4C)c(OC)c3)C(=O)N=C2S1 16192764 XFQBNOCPNIBLEP-OPATVOHWSA-N 492.601 5.189 10 50 JKCA CCCCCCN1C(=O)/C(=C2/C(=O)N(CC(=O)Nc3ccccc3C)c3ccccc32)SC1=S 16730525 CKBRVIZPLUXYQQ-FCQUAONHSA-N 493.654 5.132 10 50 JKCA CN1CCN(c2ccc([C@H]3Nc4ccccc4C(=O)N3c3ccc(F)cc3Cl)cc2)CC1 888096138 VDVKWJRDPNUGHU-DEOSSOPVSA-N 450.945 5.002 10 50 JKCA Nc1ccc(Oc2ccc3nc(-c4ccccc4)c(-c4ccc(-c5ccccc5)cc4)nc3c2)cc1 2070282 APUJGPDRWOMYRC-UHFFFAOYSA-N 465.556 8.005 10 50 JKCA CCCCCN1C(=O)/C(=C2/C(=O)N(Cc3ccccc3Cl)c3ccccc32)SC1=S 2672168 VWEJRBFKDYMRLC-VXPUYCOJSA-N 457.020 5.648 10 50 JKCA O=C(O)c1ccc(COc2ccc(/C=C3\SC(=S)N(Cc4cccnc4)C3=O)cc2Cl)cc1 6456778 XWZOBDSFMYAPSD-NHDPSOOVSA-N 496.997 5.414 10 50 JKCA Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)C2=O)cc1Cl 9259948 RKKXHKPFCRGFTH-XKZIYDEJSA-N 469.928 5.318 10 50 JKCA N=C1/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)C(=O)N=C2SC(COc3ccccc3)=NN12 9553405 RYVZGRCRJWADSS-JJYAYZJSSA-N 486.528 5.103 10 50 JKCA CCCCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccs2)SC1=S 12572418 JSQIQVYGKQHRDE-HMMYKYKNSA-N 453.658 6.382 10 50 JKCA O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1cccc(C(F)(F)F)c1 26771437 AJVADSXABTZNDL-RVDMUPIBSA-N 456.536 5.387 10 50 JKCA C/C(Nc1ccc(Br)cc1)=C1\C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 100094863 OMFTYNOURWFHAU-XNTDXEJSSA-N 481.297 5.710 10 50 JKCA O=C(O)CN1C(=O)/C(=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)SC1=S 1416009 JUKSUNYIADUDOH-CNHKJKLMSA-N 477.394 5.282 10 50 JKCA N=C1/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)N=C2SC(COc3ccccc3)=NN12 13896538 BDKJUIHXWONBOR-XSBGCYDXSA-N 497.363 5.952 10 50 JKCA Cc1ccccc1OCCOc1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1 8871720 IYPUVBZEGQWVBH-PLRJNAJWSA-N 475.635 5.897 10 50 JKCA O=[SH](=O)c1cc([SH](=O)=O)c2c(/N=N/c3ccc(/N=N\c4ccccc4)cc3)c(O)ccc2c1 238791343 OISMZZALJQNNIG-HXEHWPEMSA-N 480.527 5.317 10 50 JKCA Cc1cc(C)cc(OCCOc2cccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)c2)c1 15800529 CCRXAUOBNAJIQU-ULJHMMPZSA-N 461.608 6.167 10 50 JKCA CCc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3cccc(Cl)c3Cl)C2=O)cc1 22228764 DUVMYDSWMOJUFK-QGOAFFKASA-N 479.454 6.176 10 50 JKCA CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1 25581193 IXKRBOYNPCJUSL-GQBVICOWSA-N 491.638 5.318 10 50 JKCA CCCCN(CCCCS(=O)(=O)O)c1ccc(N=Nc2cc(Cl)ccc2Cl)cc1 257347863 XEVGFGTUNZOIJT-UHFFFAOYSA-N 458.411 6.683 10 50 JKCA O=C1NC(=S)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 2822587 KYTZFYKXEZDAQG-HAHDFKILSA-N 469.591 5.607 10 50 JKCA COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCc1ccccc1C 3001747 WHENOCCKJURFLL-IWIPYMOSSA-N 461.608 6.297 10 50 JKCA Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)N3CCC(Cc4ccccc4)CC3)C2=O)cc1 8766301 QBJMYRYFNIJHJF-CLCOLTQESA-N 478.683 5.458 10 50 JKCA O=C1/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC(=S)N1c1cccc2ccccc12 15012069 DTCPDTGASBJQFT-LPYMAVHISA-N 482.413 7.812 10 50 JKCA COc1ccc(N2CCN(C(=O)c3c(C)c(-c4cc(C)ccc4C)nc4ccccc34)CC2)cc1 20357319 HAQIXMLJBLNSFJ-UHFFFAOYSA-N 465.597 5.798 10 50 JKCA CCN1/C(=C2/C=C(c3sc4ccc(OC)cc4[n+]3CC)CC2)Sc2ccc(OC)cc21 685944305 CJJAKQGYXMSXDF-UHFFFAOYSA-N 451.637 6.247 10 50 JKCA CN(C)c1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1Br 2850071 UQEZOVJKTGKDND-CXUHLZMHSA-N 487.366 5.940 10 50 JKCA CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccc(CC)cc3)SC2=S)cc1 8817486 NRYRALXEKZJLHO-PGMHBOJBSA-N 482.627 5.046 10 50 JKCA Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cc(C(=O)O)ccc4Cl)o3)C2=O)c1 16115519 CAXWMSYKTSJJMR-JAIQZWGSSA-N 496.928 5.282 10 50 JKCA COc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OC(=O)c1cccc(C)c1 16247705 KTENOGNQVHBTOM-HMAPJEAMSA-N 479.554 5.768 10 50 JKCA Oc1ccc(Br)cc1[C@H]1Oc2c(Cl)cc(Cl)cc2[C@H]2CC(c3ccccc3)=NN21 25576395 DKOXKNWDFOGJHH-DENIHFKCSA-N 490.184 6.704 10 50 JKCA CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc1 19833461 WVDUTPGJPKWRNQ-JJIBRWJFSA-N 489.666 6.472 10 50 JKCA COc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)ccc1OCc1ccccc1F 1201672 NHDGLXKYTJAIPZ-XDHOZWIPSA-N 464.424 5.059 10 50 JKCA CCc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3cccc(Br)c3)C2=O)cc1 1815151 JJXATUKQLQSEKU-CPNJWEJPSA-N 489.460 5.632 10 50 JKCA CCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2)SC1=S 2678146 YMKJORXTYFHVCI-HAHDFKILSA-N 477.655 6.185 10 50 JKCA CCOC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1Cl)N3C[C@@H]1CC=C[C@H]21 2912455 VIQCNXYAZDLQDG-LCXUAPQRSA-N 466.408 7.064 10 50 JKCA O=C1N=C(O)/C(=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1c1ccc(F)cc1 2970567 PLYKKHGPDFAEAP-MHWRWJLKSA-N 455.785 5.154 10 50 JKCA COc1cc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)ccc1OCc1ccccc1 15015190 MEZIEXIOMOFMIH-CFRMEGHHSA-N 491.590 5.404 10 50 JKCA CCCN1C(=O)/C(=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)c2cc(Br)ccc21 16731986 CSQJHAZFUSPELU-HNENSFHCSA-N 487.444 5.286 10 50 JKCA Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)C(O)=NC2=S)cc1 1819094 OSJNSCPOIRLYLY-YBFXNURJSA-N 484.408 6.381 10 50 JKCA COc1ccc(C(=O)N[C@H](c2ccc([N+](=O)[O-])cc2)c2cc(Cl)c3cccnc3c2O)cc1 6397362 ZKRWMKUKILVGTA-OAQYLSRUSA-N 463.877 5.030 10 50 JKCA biogenic COc1ccc(N2CCN(C(=O)c3ccc(COc4c(Cl)cc(Cl)cc4Cl)o3)CC2)cc1 2747932 RFXTWTLPQIEWIO-UHFFFAOYSA-N 495.790 5.790 10 50 JKCA CCCCN1C(=O)/C(=C2\SC(=S)N(Cc3ccccc3)C2=O)c2cc(Br)ccc21 16730790 VVWHRNLKZCXGTD-HNENSFHCSA-N 487.444 5.367 10 50 JKCA CC[C@@H](C)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(Cl)c2)SC1=S 1837507 HQEAZVPSPVPUFW-PJMHOZITSA-N 484.046 6.201 10 50 JKCA Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCCC(=O)O)C2=O)cc1F 2533075 XXUURAUUYKPZNZ-MOSHPQCFSA-N 481.574 5.053 10 50 JKCA COc1cc(/C=C2\C(=O)N(c3ccc4ccccc4c3)N=C2C)c(Br)cc1OC(C)=O 15016424 QXEGZOCQGFATGG-JAIQZWGSSA-N 479.330 5.342 10 50 JKCA Cc1cccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(c5ccccc5)SC4=NC3=O)cc2)c1 15800216 KZGCTYSWCPSQMW-ZSEUTSBQSA-N 482.565 5.120 10 50 JKCA CCCCC1=NN2C(=N)/C(=C\c3cccc(OCCCOc4ccccc4OC)c3)C(=O)N=C2S1 16193078 MTBCSFNLMUAWJW-AMUBLYBMSA-N 492.601 5.352 10 50 JKCA Cc1ccc(/C=C2/SC(=S)N(CCC(=O)N3c4ccccc4Sc4ccccc43)C2=O)cc1 13739190 HRQRLTXHUVEBBA-XQNSMLJCSA-N 488.659 6.416 10 50 JKCA O=C1/C(=C/C=C2/Sc3c(ccc4ccccc34)N2CCO)SC(=S)N1c1ccccc1 2067402 OHSUDNYWXOOXRA-AYRZQKSOSA-N 462.621 5.534 10 50 JKCA CCOC(=O)COc1c(Cl)cc(/C=C2/C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2O)cc1Cl 15722608 IUKJTGONGAOATB-VGOFMYFVSA-N 497.718 5.095 10 50 JKCA Cc1cccc(C)c1OCCOc1c(Cl)cc(Cl)cc1/C=C1\SC(=S)N(C)C1=O 22228911 IWZYVCXAKDXIDE-YVLHZVERSA-N 468.427 5.899 10 50 JKCA CCC(=O)Oc1c(-c2ccc(Br)cc2)c2nc3ccccc3nc2c2ccccc12 9850562 JJORMXAVIKLJCB-UHFFFAOYSA-N 457.327 6.681 10 50 JKCA CCCCCC[C@]1(O)[C@@H](C)[C@H](c2ccc(N(C)C)cc2)N[C@@H](c2ccc(N(C)C)cc2)[C@H]1C 239415407 UJSGOICYYICMBC-BZYMTITMSA-N 451.699 6.178 10 50 JKCA COc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccccc4F)cc3)SC2=S)cc1 6645242 KUXMVSLHZKDHHK-HYARGMPZSA-N 451.544 5.819 10 50 JKCA CC(C)(C)N(Cc1ccccc1)C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 8764044 GVSRSEOHSIKNAG-XDJHFCHBSA-N 458.674 5.557 10 50 JKCA CCOc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc1 1180303 FGEQKSRLJGSOMP-LDADJPATSA-N 480.533 5.334 10 50 JKCA CCOc1cc(/C=C2/C(=O)N(c3ccc(OC)cc3)C(=S)N=C2O)ccc1OCc1ccccc1 2873441 NFAJDJVUJDMEHJ-PXLXIMEGSA-N 488.565 5.345 10 50 JKCA CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OS(=O)(=O)c1ccccc1 2958118 KNHMYOVHPJWYJN-CJLVFECKSA-N 497.619 5.259 10 50 JKCA CN(C)c1ccc([C@@H]2Oc3c(Cl)cc(Cl)cc3[C@@H]3CC(c4ccc5ccccc5c4)=NN32)cc1 25578201 MGJJXFGSBNOHAP-XCZPVHLTSA-N 488.418 7.455 10 50 JKCA Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(C)n(-c4cccc(F)c4)c3C)C2=O)cc1 1167458 LRAJJKRNSPFADT-UUYOSTAYSA-N 463.534 5.217 10 50 JKCA CCOc1cccc(CN2CCC3(CC2)C[C@@H]3C(=O)NCCC(c2ccccc2)c2ccccc2)c1O 12004338 APQSHRKVJMQDIV-MUUNZHRXSA-N 498.667 5.731 10 50 JKCA COCCN1C(=O)/C(=C\c2ccc(OC(=O)[C@H]3[C@@H](C=C(Cl)Cl)C3(C)C)cc2)SC1=S 15684838 UAYHGPVQAURMGO-YLJPPSQVSA-N 486.442 5.031 10 50 JKCA Cc1cc(Br)c2c(c1C)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)N2 111478991 UITANCGXHSZJNN-JQYIIUTOSA-N 494.860 8.125 10 50 JKCA CC[n+]1c(/C=C/c2cc(C(=O)c3ccccc3)n3c2sc2ccccc23)sc2ccccc21 685944460 OOCZALLMCQZFEP-UHFFFAOYSA-N 465.623 7.078 10 50 JKCA O=C(Oc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2)c1ccc(Cl)cc1Cl 2814495 SASCEZBLHNCZMR-YDIMBITNSA-N 481.335 6.947 10 50 JKCA COC(=O)c1ccc(NC(=O)c2c(NCc3ccc(OC)c(OC)c3)sc3c2CCCC3)cc1 2909500 JLBAEUPBQMZOJL-UHFFFAOYSA-N 480.586 5.295 10 50 JKCA O=C1/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)SC(=S)N1Cc1ccc(F)cc1 2929627 SVTIILCEHFBDCC-XKZIYDEJSA-N 453.535 5.945 10 50 JKCA CCN1C(=O)/C(=C/c2ccc(OCCOc3ccc(Cl)c(C)c3)c(OC)c2)SC1=S 2978349 PSXSCENCHJNZHL-MOSHPQCFSA-N 464.008 5.336 10 50 JKCA C[C@H](COc1ccccc1)COc1ccccc1/C=C1/SC(=S)N(Cc2ccccc2)C1=O 22241982 RZMYFFZCWYZWHH-UVPCLOGWSA-N 475.635 6.182 10 50 JKCA CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)cc(Cl)c1OCc1ccc(F)cc1 22185099 TZLXJVGHIKVASQ-WOJGMQOQSA-N 451.972 5.678 10 50 JKCA CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 22478408 BSZTYILEANNKNK-YBEGLDIGSA-N 476.703 6.621 10 50 JKCA CCCC[C@@H](CC)CN1C(=O)C2=C(c3ccco3)N(C[C@H](CC)CCCC)C(=O)C2=C1c1ccco1 115726823 LBTJWIAJSUGVEJ-FGZHOGPDSA-N 492.660 7.112 10 50 JKCA COC(=O)C[C@@H]1c2cc3ccccc3nc2Oc2c(O)c(O)c3c(=O)cc(-c4ccccc4)oc3c21 218112468 SLMHAGRPZUVORZ-MRXNPFEDSA-N 481.460 5.220 10 50 JKCA biogenic CCCCc1ccc(/N=N/c2ccc(CCCC(=O)NCc3ccc(OC)c(O)c3)cc2)cc1 1501017107 OHCVQWRUXLESDK-NVQSTNCTSA-N 459.590 6.798 10 50 JKCA CCOc1cccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C(O)=NC2=S)c1 1203382 DHRVJJKYYNQIFZ-LDADJPATSA-N 497.916 5.579 10 50 JKCA O=C1N=C(O)/C(=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1c1ccc(Cl)cc1 1214646 CTSOQBTTXREELK-MHWRWJLKSA-N 472.240 5.668 10 50 JKCA Oc1ccc(-c2csc(N3N=C4/C(=C/c5ccccc5)CCC[C@@H]4[C@H]3c3ccccc3)n2)cc1O 4257358 SAADEGLEQOIOKS-QVMHRLKGSA-N 479.605 7.022 10 50 JKCA COc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCCOc1ccccc1Cl 12382041 SZSNGAOASISNRV-ARLVZQCQSA-N 498.992 5.082 10 50 JKCA CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1nnc(-c2ccc(Cl)cc2Cl)s1 100500800 GUTJMNPNHSNISK-DHDCSXOGSA-N 464.765 5.884 10 50 JKCA CCCCN(CC)Cc1c(O)ccc2c(=O)c(-c3ccc(Cl)cc3)c(C(F)(F)F)oc12 1770989 DBUOAILDUAYNGJ-UHFFFAOYSA-N 453.888 6.460 10 50 JKCA CCOc1cccc(CN2CCC(C(=O)N(CCc3ccccc3)Cc3ccccc3)CC2)c1O 9144692 PGEZWLVTLGSKFM-UHFFFAOYSA-N 472.629 5.274 10 50 JKCA CCC1=NN2C(=N)/C(=C/c3ccc(OCc4ccccc4)c(Br)c3)C(=O)N=C2S1 16214272 BVIINTLXXNBGKO-CPWDNUMFSA-N 469.364 5.057 10 50 JKCA CCCOc1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(N(CC)CC)cc4)N(c4ccccc4)O[C@H]3C2=O)cc1 230022622 SDFGADUTZMUCIW-UPRLRBBYSA-N 499.611 5.373 10 50 JKCA CCN1C(=O)/C(=C\c2cccc(OC)c2OCCCOc2ccc(C)c(C)c2)SC1=S 6470635 RCSKHPZQOJVJIM-RCCKNPSSSA-N 457.617 5.381 10 50 JKCA O=C(CC1(Cc2ccc(I)cc2)C(=O)c2ccccc2C1=O)c1ccccc1 1204466 FCUXLBQHATTZJK-UHFFFAOYSA-N 480.301 5.172 10 50 JKCA CCCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC)cc2)SC1=S 25581303 RLNXWRMXABMNNR-HAVVHWLPSA-N 477.655 6.329 10 50 JKCA COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2O)o1 2306767 WMNJRHLDBMFWRL-GZTJUZNOSA-N 467.821 5.024 10 50 JKCA O=C1/C(=C2/C(=O)N(Cc3ccccc3Cl)c3ccccc32)SC(=S)N1Cc1ccccc1 16700955 QBJFNVTWCCSEGY-DQRAZIAOSA-N 477.010 5.658 10 50 JKCA CCN(Cc1ccccc1)c1ccc(N=Nc2cc(Cl)c(S(=O)(=O)O)cc2Cl)cc1 257347712 RBSXUHSLINSOEF-UHFFFAOYSA-N 464.374 6.682 10 50 JKCA Cc1cccc(OCCCn2cc(/C=C3/C(=O)N(Cc4ccccc4)C(=O)N=C3O)c3ccccc32)c1 3004897 RBCOYYJYXFLNTF-NLRVBDNBSA-N 493.563 5.921 10 50 JKCA CCCCCN1C(=O)/C(=C/c2c(NCCc3ccccc3)nc3c(C)cccn3c2=O)SC1=S 8915627 NIAQETMQTDXBOA-FXBPSFAMSA-N 492.670 5.049 10 50 JKCA CCCN(CCC)Cc1c(O)ccc2c(=O)c(Oc3ccc(C)c(C)c3)c(C(F)(F)F)oc12 19793920 SZGFPPDBHXGQCK-UHFFFAOYSA-N 463.496 6.549 10 50 JKCA CCN1C(=O)/C(=C/C=C2\C=CN(CCC[N+](CC)(CC)CC)c3ccccc32)SC1=S 685944488 RKDCCFKWCLUAGH-OYPXJNLQSA-N 456.701 5.434 10 50 JKCA Cc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)c3ccc(Cl)cc3)c(O)c3ccccc23)cc1 1513790 ZHRVGFAJYRKYAV-UHFFFAOYSA-N 487.986 5.141 10 50 JKCA CN(C)c1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)c2ccco2)[C@H]3c2ccc(N(C)C)cc2)cc1 8432300 ROPPZINQYHJNAA-XQKAGYMWSA-N 468.601 5.848 10 50 JKCA CCCCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(CC)cc4)C3=O)o2)cc1 15945526 YLARVFZZELDTQI-QJOMJCCJSA-N 486.524 5.132 10 50 JKCA Cc1ccc(C(C)C)c(OCCOc2ccc(Br)cc2/C=C2\SC(=S)NC2=O)c1 2993338 ULIURHFIRKQEDT-NDENLUEZSA-N 492.460 5.828 10 50 JKCA Cc1ccc(N2C(=O)/C(=C/c3ccccc3OCCOc3ccc([N+](=O)[O-])cc3)SC2=S)cc1 3000862 ZUFMZYHSIWDBQY-KQWNVCNZSA-N 492.578 5.767 10 50 JKCA O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC(=S)N1C[C@@H]1CCCO1 16730104 ZDBCUDWVRHAXEZ-GAASDFDMSA-N 482.030 5.573 10 50 JKCA Cc1ccc(-c2ccc(/C=C3/C(=N)N4N=C(COc5ccccc5)SC4=NC3=O)o2)cc1Cl 30735180 XMGIFXRRTGVXNJ-QLSUFNALSA-N 476.945 5.607 10 50 JKCA Cc1cccc(N2C(=O)/C(=C/c3cn(Cc4ccccc4[N+](=O)[O-])c4ccccc34)SC2=S)c1 3000437 IAOFHUHAVMQUDG-OYKKKHCWSA-N 485.590 6.312 10 50 JKCA N=C1/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N=C2SC(C(F)(F)F)=NN12 8395926 RLJALDCHVWMFNJ-POLJFVILSA-N 459.236 5.435 10 50 JKCA CCCCC1(Cc2ccc(OC)c([N+](=O)[O-])c2)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O 8625248 UVOSTMRTZMGJDE-UHFFFAOYSA-N 473.529 5.318 10 50 JKCA COc1ccc(-c2c3c(c(-c4ccccc4)n2-c2ccc(OC)cc2)C(=O)c2ccccc2C3=O)cc1 2996173 JNQBMTBHBBEIJY-UHFFFAOYSA-N 485.539 6.604 10 50 JKCA CCCCCN1C(=O)/C(=C2/C(=O)N(CCCC)c3ccc(Br)cc32)SC1=S 16731354 JNTIGIHHAAJNCL-MSUUIHNZSA-N 467.454 5.357 10 50 JKCA CCOc1cccc(N2C(=O)/C(=C/c3cccn3-c3ccc(Cl)cc3)C(O)=NC2=S)c1 1182431 YEZHNURGJKGJIB-XSFVSMFZSA-N 451.935 5.201 10 50 JKCA C[C@H](COc1ccccc1)COc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1 2831882 WBFZKJFAOHWBBL-GXDFBKAQSA-N 461.608 6.186 10 50 JKCA Cc1ccc(S(=O)(=O)Nc2cc(Sc3cccc4cccnc34)c(O)c3ccccc23)cc1 2685347 ZCQQOOQVNKDCOK-UHFFFAOYSA-N 472.591 6.354 10 50 JKCA O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1ccc(-c2ccccc2)cc1 2847794 AFSVQUTULJXFFP-JWGURIENSA-N 479.026 6.237 10 50 JKCA O=C1/C(=C/c2ccccc2OCCOc2ccccc2Cl)SC(=S)N1Cc1ccccc1 2864060 PGWZHHZLDGLRRV-KQWNVCNZSA-N 482.026 6.199 10 50 JKCA COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCc1cccc(C)c1 3003794 FYFGTFHKXNTFPX-IWIPYMOSSA-N 461.608 6.297 10 50 JKCA C[C@@H](COc1ccccc1)COc1ccccc1/C=C1/SC(=S)N(Cc2ccccc2)C1=O 22241978 RZMYFFZCWYZWHH-KXWHUPIZSA-N 475.635 6.182 10 50 JKCA COc1cccc(OCCCOc2ccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)cc2)c1 15857201 PVJAUVRTTRHVTC-JJIBRWJFSA-N 477.607 5.949 10 50 JKCA O=C1c2ccccc2C(=O)c2cc3c(cc21)N[C@@H]1CC[C@@H]2[C@@H]4CCCC[C@@H]4C(=O)[C@@H]4CC[C@@H]3[C@@H]1[C@@H]42 222273484 WVSXJYGUVHEAPF-PBNSUUHGSA-N 465.593 5.781 10 50 JKCA O=C1/C(=C/c2cn(CCOc3ccccc3)c3ccccc23)SC(=S)N1c1ccc(F)cc1 3461817 MTCXEPOAXVNNHG-JLPGSUDCSA-N 474.582 6.265 10 50 JKCA COc1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)cc(Cl)c1OCc1ccccc1 13894858 YZYXXQUJKOZKHB-JFBHZCMBSA-N 494.882 5.109 10 50 JKCA O=C1c2ccccc2C(=O)c2cc(NC(=O)c3cccc4c(Br)cccc34)ccc21 15799377 ZHXHXYPJRKBMIR-UHFFFAOYSA-N 456.295 5.630 10 50 JKCA COc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OC(=O)c1cccs1 16192808 KTFGLUCXZPXMNE-UNOMPAQXSA-N 471.556 5.521 10 50 JKCA Cc1cccc(COc2ccc(/C=C3\C(=N)N4N=C(COc5cccc(C)c5)SC4=NC3=O)cc2)c1 16266457 HDFMXIKONGXSIQ-CYBUCUQUSA-N 496.592 5.581 10 50 JKCA COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OC(=O)c1ccccc1F 101720495 OUEJHZVCJHLLLP-XDHOZWIPSA-N 464.880 5.513 10 50 JKCA CCOCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2C)SC1=S 6498079 FDSRKRXXICEJBA-XQNSMLJCSA-N 493.654 5.484 10 50 JKCA CC(C)(c1ccccc1)c1ccc(OCCOc2ccc(/C=C3\SC(=S)NC3=O)cc2)cc1 8983968 FBHLMSCEYMHLCK-MOHJPFBDSA-N 475.635 5.959 10 50 JKCA Cc1ccc(N2C(=O)C(=Cc3cccc(Br)c3)C(=O)N(c3ccc(C)cc3)C2=O)cc1 3129853 SFQTUTGJQULEBT-UHFFFAOYSA-N 475.342 5.649 10 50 JKCA Cc1cc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccc(Cl)cc32)ccc1Br 263617584 OPDLYKPBXQGKLA-UHFFFAOYSA-N 495.826 5.190 10 50 JKCA COc1cc(/C=C2/SC(=S)NC2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl 2966797 BKWVMGATKHYDOJ-GIDUJCDVSA-N 460.791 5.723 10 50 JKCA COc1ccccc1OCCOc1ccc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc1 3000421 SMXJCSGJEYONQN-ULJHMMPZSA-N 477.607 5.867 10 50 JKCA O=C1/C(=C\c2cc3c(cc2Br)OCO3)SC(=S)N1c1cccc(C(F)(F)F)c1 4507869 PZSCLIHCZHBINR-PJQLUOCWSA-N 488.306 5.602 10 50 JKCA CCN1C(=O)/C(=C/c2ccc(OCc3cccc4ccccc34)c(Br)c2)NC1=S 9295980 DXXHDLSDHITUEO-MOSHPQCFSA-N 467.388 5.259 10 50 JKCA COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCCSc1ccccc1 16192743 OZYFZFOVDGCFOZ-ULJHMMPZSA-N 493.675 6.268 10 50 JKCA Cc1ccc(N2C(=O)N=C(O)/C(=C\c3c(C(=O)c4ccccc4)[nH]c4ccccc34)C2=O)cc1C 1133804 QDQANEWDQPONLG-PXLXIMEGSA-N 463.493 5.522 10 50 JKCA COc1ccc(CN2C(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(C)cc3)SC2=S)cc1 1763474 MERDFWDFTUAMTR-XYGWBWBKSA-N 497.645 6.258 10 50 JKCA Cc1ccc(COc2ccc(/C=C3/SC(=S)N([C@@H](C(=O)O)c4ccccc4)C3=O)cc2)cc1 32694364 VILIDXQCUWDJSI-VKIDYWOHSA-N 475.591 5.601 10 50 JKCA O=c1oc2c(CN3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@@H]56)[C@@H]43)c(O)c(Cl)cc2c2c1CCC2 886025699 VPWAHDXHQXMJPT-AMIJONBRSA-N 481.036 5.036 10 50 JKCA O=C(CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1cccc2ccccc12 1145260 ZCNLGTGVGAZLRH-HMAPJEAMSA-N 476.579 5.189 10 50 JKCA COc1cccc(OCCOc2ccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)cc2OC)c1 15769409 ZTOCPNMULSTOQP-LFVJCYFKSA-N 493.606 5.567 10 50 JKCA COc1ccc(OS(=O)(=O)c2ccc(C)cc2)c(/C=C2\SC(=S)N(c3ccccc3)C2=O)c1 16212741 RLQORJVNMLXVIP-JCMHNJIXSA-N 497.619 5.177 10 50 JKCA O=C(c1ccc(F)cc1)[C@@H]1[C@H](c2ccco2)C2(C(=O)c3ccccc3C2=O)[C@@H]2c3ccccc3C=NN12 229900981 JFBRTGRVLAIKJV-KLJDGLGGSA-N 490.490 5.224 10 50 JKCA O=C1/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(O)=NC(=S)N1c1cccc(Cl)c1Cl 2972050 NYWCPVQJHAZTNW-GXDHUFHOSA-N 488.308 5.833 10 50 JKCA COc1cccc(O)c1CN1CCC([C@@H](Cc2ccccc2F)N(C)C(=O)c2cccs2)CC1 14962874 WNGZFTMVVVAESA-HSZRJFAPSA-N 482.621 5.197 10 50 JKCA COc1ccc(/C=C2/C(=O)N(c3ccc(Br)cc3)C(=S)N=C2O)c2ccccc12 20247812 CAFQXXGPAGTPKX-LDADJPATSA-N 467.344 5.283 10 50 JKCA Cc1cccc(Cc2cnc(NC(=O)CCCN3C(=O)/C(=C/c4ccccc4)SC3=S)s2)c1 1002900 MTMATHVXUPBIHD-QNGOZBTKSA-N 493.679 5.662 10 50 JKCA CCN1C(=O)/C(=C\c2ccc(OCCCOc3cc(C)ccc3C(C)C)c(OC)c2)SC1=S 22257518 DOBCIBFSJPEPDM-LFVJCYFKSA-N 485.671 6.196 10 50 JKCA Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4cc(Cl)cc(Cl)c4O)[C@H]3C2=O)c(C)c1 245324902 CBAPORZLOWXHFY-MQSCRBSSSA-N 483.351 5.367 10 50 JKCA COc1cc(Cl)c(/C=C2/C(=O)N(c3cccc(Cl)c3Cl)C(=S)N=C2O)cc1OC 1186210 VWBJVLLUFSQEPE-UXBLZVDNSA-N 471.749 5.336 10 50 JKCA CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)SC1=S 2666025 NXFHZGPOUBDMBE-JLPGSUDCSA-N 483.618 5.949 10 50 JKCA O=C(O)[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)SC1=S 8763364 LFBIGAVOWOLUCI-GQEMFKIVSA-N 455.944 5.627 10 50 JKCA CCCCN(C)Cc1c(O)ccc2c(=O)c(-c3ccc(OC)c(OC)c3)c(C(F)(F)F)oc12 1768209 UXUITPMLYGDMKA-UHFFFAOYSA-N 465.468 5.434 10 50 JKCA biogenic CCOc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OCc1ccccc1 2964214 WTMHXIIBWYVHCP-LFVJCYFKSA-N 461.608 6.066 10 50 JKCA CC1=NN(c2nc(-c3ccc(Br)cc3)cs2)C(=O)[C@H]1/N=N/c1ccccc1O 12275776 IOFBMOSHDSLDCY-AWZKZOKMSA-N 456.325 5.153 10 50 JKCA COc1ccc(/C=C2/C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C(=O)N=C2O)c(OC)c1 15799893 ANKDJNMVANAZIG-FYJGNVAPSA-N 492.915 5.443 10 50 JKCA Cc1nc2ccccc2nc1-c1ccc(/N=[N+](\O)c2ccc(-c3nc4ccccc4nc3C)cc2)cc1 57681134 POCLNTAZLUPPFI-UHFFFAOYSA-N 483.555 7.341 10 50 JKCA COc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 2819430 RIQJXTJWNCLVOS-GRSHGNNSSA-N 493.006 5.693 10 50 JKCA COc1ccccc1OCCCOc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1 15857102 PMFJBNLZIPBXJO-HKOYGPOVSA-N 477.607 5.949 10 50 JKCA