smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CN(Cc1ccon1)C(=O)[C@@H]1C[C@@H](Sc2ccc(F)cc2)CN1Cc1ccccc1O 12040347 IZQXPXHGAPQCNR-RTWAWAEBSA-N 441.528 3.913 10 50 IHCA COc1ccc(O)c(CN2CCC(Oc3ccc(C(=O)NCc4ccccn4)cc3)CC2)c1 12434673 ILJBCZQSVHYEQK-UHFFFAOYSA-N 447.535 3.769 10 50 IHCA Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@@H]32)cc1 101102011 AWAWUILLUYUZGG-BDTNDASRSA-N 443.499 3.818 10 50 IHCA CC(C)N1C(=O)/C(=C2/C(=O)N(CC(=O)Nc3ccccc3)c3ccccc32)SC1=S 1742077 IPFOYJMTGJDRMI-HNENSFHCSA-N 437.546 3.652 10 50 IHCA CS(=O)(=O)Nc1ccccc1[C@@H]1CC(c2ccccc2O)=NN1C(=O)c1ccccc1 252481051 CHGZEBQWZPCTHU-NRFANRHFSA-N 435.505 3.755 10 50 IHCA CCOc1cc(/C=C2/C(=O)N(c3cc(C)ccc3C)C(=O)N=C2O)cc([N+](=O)[O-])c1O 15822947 WIPCFEVCPANGHO-RIYZIHGNSA-N 425.397 3.823 10 50 IHCA CSc1nnc2c(n1)O[C@@H](c1ccc(O)c(O)c1)Nc1ccc(Br)cc1-2 2978178 HBXRCTRSVQNEOL-HNNXBMFYSA-N 433.287 3.937 10 50 IHCA CCOc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(N4CCOCC4)cc3C)C2=O)cc1 1141654 NQZVDBLCAOLRGZ-RCCKNPSSSA-N 435.480 3.737 10 50 IHCA CC(C)N1C(=O)/C(=C\c2c(N3CCC[C@@H](C)C3)nc3ccccn3c2=O)SC1=S 33404312 LFGAVCDYUODWAP-DSQDWWTGSA-N 428.583 3.540 10 50 IHCA CCC[C@]1(C(=O)O)N[C@H](c2ccccc2O)[C@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@H]21 245235058 HJHKXSHNECMLOX-IFOBJOEFSA-N 444.487 3.619 10 50 IHCA COCc1cc(=O)c(O)c(-c2[nH]c(-c3cccc(O)c3O)nc2-c2ccc(OC)cc2)o1 1857526658 QXAFBSZJNMTSQM-UHFFFAOYSA-N 436.420 3.636 10 50 IHCA CCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccco2)C1=O 1817243 LTYVZKKRCQTNGI-WJDWOHSUSA-N 440.550 3.819 10 50 IHCA N=C1/C(=C\c2ccc(OC(=O)c3ccccc3F)c(Cl)c2)C(=O)N=C2SC=NN12 16265424 WCDZYRVBDATVMQ-JHGUJBJGSA-N 428.832 3.947 10 50 IHCA CC(C)(C)c1ccc(C(=O)Oc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2Cl)cc1 1117433 IQYFZDPPTRYJON-UHFFFAOYSA-N 426.856 3.606 10 50 IHCA CCN(CC)CCOc1ccc2c(c1)C(=O)c1ccc(OCCN(CC)CC)cc1C2=O 27523319 IWVBCTKXORWDNV-UHFFFAOYSA-N 438.568 3.903 10 50 IHCA Cc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc(C(=O)O)cc3)C2=O)cc1 13786187 HDDJFPSOQCRPJG-ATVHPVEESA-N 426.519 3.923 10 50 IHCA CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(Br)c(C)c2)C1=O 1211767 KQEAJUKUCDOIEK-RVDMUPIBSA-N 429.270 3.823 10 50 IHCA CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/NCCc1ccc(OC)c(OC)c1 102965068 SYGKNNRKRRHLRO-XDJHFCHBSA-N 438.484 3.831 10 50 IHCA COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)ccc1OCc1ccc(Cl)cc1 1183939 MBMQGJRPBVKXOG-UHFFFAOYSA-N 430.913 3.526 10 50 IHCA C[C@H](NC(=O)c1ccc(-c2ccccc2)nc1O)c1ccc(N2CCN(C)CC2)c(F)c1 2325719276 KMFHXUPZYSYVFK-KRWDZBQOSA-N 434.515 3.836 10 50 IHCA c1ccc(N2CCN([C@@H]3CCCN(C4CCN(c5ccc6c(c5)OCO6)CC4)C3)CC2)cc1 19958429 PDMCNMZZOPDZBO-RUZDIDTESA-N 448.611 3.671 10 50 IHCA COc1ccc(N2CCN([C@H]3CCCN(Cc4cccn4-c4cccnc4)C3)CC2)cc1 96449029 JVJLUKSUWOGKJJ-DEOSSOPVSA-N 431.584 3.668 10 50 IHCA COc1ccc(N2CCN(c3nc(Nc4ccc(C)c(Cl)c4)nc(OC)n3)CC2)cc1 1176092 PQUIGCIVVHCUTA-UHFFFAOYSA-N 440.935 3.921 10 50 IHCA CSc1nnc2c(n1)O[C@@H](c1cc(O)c(O)c(Br)c1)Nc1ccccc1-2 9601779 CKYNJISPMXAAQM-HNNXBMFYSA-N 433.287 3.937 10 50 IHCA COc1cc(/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2C)cc(Cl)c1OCC(N)=O 13915177 UDVHWWSAWXPOPT-CHHVJCJISA-N 434.279 3.672 10 50 IHCA COc1ccc([C@@H](NC(=O)C(C)C)c2cc([N+](=O)[O-])c3cccnc3c2O)cc1OC 16213907 JQBGJAMGONLECO-LJQANCHMSA-N 425.441 3.727 10 50 IHCA CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N(CC)CC)cc3OC)C2=O)cc1 1203800 FAMMZOFZBAARGY-XSFVSMFZSA-N 437.496 3.607 10 50 IHCA COc1cc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)ccc1OS(C)(=O)=O 9310415 XVYRKOLPVAURJT-CXUHLZMHSA-N 439.511 3.579 10 50 IHCA CCCCN1C(=O)/C(=C/c2c(N3CCCC3)nc3c(C)cccn3c2=O)SC1=S 2299727 MMWBRRYHOXGJDC-SSZFMOIBSA-N 428.583 3.604 10 50 IHCA C[C@@H](NC(=O)/C=C/c1c(Cl)nc2sccn12)c1ccc(N2CCN(C)CC2)c(F)c1 2325719436 HBPMVFSYVYNFEJ-VBROQKIQSA-N 447.967 3.831 10 50 IHCA CCOc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N=C2O)ccc1O[C@@H](C)C(=O)O 14011053 AYBWOJCCHKEQGJ-FMNVXAMXSA-N 438.436 3.752 10 50 IHCA CCCCN1C(=O)/C(=C\c2c(N3CCCC3)nc3c(C)cccn3c2=O)SC1=S 33352491 MMWBRRYHOXGJDC-DTQAZKPQSA-N 428.583 3.604 10 50 IHCA CCN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(Cc1ccc(N3CCCC3)cc1)CC2 14742370 QIRUHTQAQDXCJR-UHFFFAOYSA-N 447.583 3.501 10 50 IHCA Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C(C)C)C3=O)c(NCc3ccco3)nc12 1455231 POJJNMSFECDCRQ-YBEGLDIGSA-N 440.550 3.818 10 50 IHCA COc1ccc(N2CCN([C@@H]3CCCN(Cc4cccn4-c4nccs4)C3)CC2)cc1 23374916 BOXCMVJKUWEXNH-OAQYLSRUSA-N 437.613 3.729 10 50 IHCA COCc1cc(=O)c(O)c(-c2[nH]c(-c3ccc(O)c(O)c3)nc2-c2ccc(OC)cc2)o1 1857526275 PKLDFLNZIPFHFN-UHFFFAOYSA-N 436.420 3.636 10 50 IHCA CC[C@H](C)N1C(=O)/C(=C/c2c(N3CCCCC3)nc3ccccn3c2=O)SC1=S 1149572 ZIVQSYOJVLDBRW-DSDLTIFZSA-N 428.583 3.685 10 50 IHCA COc1cccc(OCCOc2ccc(/C=C3\C(=O)NN(c4ccccc4)C3=O)cc2)c1 1830874 HJPLVLMFYXESTH-XQNSMLJCSA-N 430.460 3.614 10 50 IHCA Cc1cc(/C=C2\C(=O)N=C(O)N(c3ccccc3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 2285199 VHMTUUKIHONOMA-UDWIEESQSA-N 430.420 3.873 10 50 IHCA Cc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)C1(O[C@H]2c2ccccc2)C(=O)c2ccccc2C1=O 239305984 GGLJFYXFKKPCRV-BDTNDASRSA-N 437.451 3.690 10 50 IHCA O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 13424486 OGEJQLBTZOJZEI-ZROIWOOFSA-N 441.783 3.763 10 50 IHCA COc1cc(/C=C2/SC(=S)NC2=O)ccc1OCCOCCOc1ccc(C)cc1 15768528 MWGYMDBZYGDIQD-XSFVSMFZSA-N 445.562 3.967 10 50 IHCA Cc1csc(NC(=O)CCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)n1 2986212 QLZYETNWDRCBLN-NVNXTCNLSA-N 447.563 3.800 10 50 IHCA O=C1NC(=O)C(=Cc2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)C(=O)N1 16267133 CZKYVOXCZLAUPA-HSZRJFAPSA-N 436.471 3.792 10 50 IHCA O=C1NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(Cl)cc(Br)c1O 16671365 BJFPVIQMILTMKO-SDQBBNPISA-N 428.069 3.923 10 50 IHCA CN(C)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br 1206568 FJTVTPJCHYJIDD-NTEUORMPSA-N 448.704 3.835 10 50 IHCA Cc1cc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3O)C2=O)ccc1Br 1211847 KULONLQLGGJNBJ-MDWZMJQESA-N 435.661 3.783 10 50 IHCA COc1ccccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(N(C)C)cc3)[C@H]2C1=O 245328544 UUBLHKKQSQBZJU-TZRRMPRUSA-N 443.503 3.812 10 50 IHCA O=C1/C(=C\c2ccc(-c3ccccc3Cl)o2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 4426218 VRACRGSGKJNZNS-UJFYRASASA-N 439.967 3.988 10 50 IHCA Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 15012636 FLDDQXSSLPIEEH-ODLFYWEKSA-N 445.500 3.654 10 50 IHCA CCn1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c1C 1128558 SMRJFMKBRCQYDX-MHWRWJLKSA-N 432.343 3.719 10 50 IHCA COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OS(C)(=O)=O 3002214 OIVYMMKDQSNUIO-BOPFTXTBSA-N 435.548 3.748 10 50 IHCA COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)C1=O 9262549 IKXPWFSYUOHBIK-HVIDBACLSA-N 435.841 3.896 10 50 IHCA COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c(OC)c1C 1132945 CDQCRRYTRSDHJC-FMIVXFBMSA-N 435.263 3.985 10 50 IHCA COc1ccc2c(c1)C=C[C@@H]1[C@@H]3C(=O)N(c4cccc(Cl)c4C)C(=O)[C@@H]3[C@@H](C(C)=O)N21 227135856 LYWNPVXGAPZUCK-CLAROIROSA-N 436.895 3.636 10 50 IHCA CCOC(=O)c1ccc(N2C(=O)/C(=C\c3cccc([N+](=O)[O-])c3)C(C(=O)OC)=C2C)cc1 1163531 WGUZNLLBKTWZPU-UYRXBGFRSA-N 436.420 3.649 10 50 IHCA COC(=O)c1ccccc1NC(=O)Cn1c(CCC(=O)O)ccc1-c1ccc(OC)cc1 1050491 YRLLIGDSRCHFGC-UHFFFAOYSA-N 436.464 3.606 10 50 IHCA NC(=O)CN(Cc1ccccc1)c1cccc(NS(=O)(=O)c2cc(F)ccc2Cl)c1 225695305 ZERJCSFBFFRCBB-UHFFFAOYSA-N 447.919 3.772 10 50 IHCA Oc1ccc(Cl)cc1CN1CCC[C@@H](Nc2cc(C(F)(F)F)nc3ncnn23)C1 301275922 KYHCQNAXBWVBMA-CYBMUJFWSA-N 426.830 3.579 10 50 IHCA COc1ccc2cc(-c3c4cn[nH]c4nc4c3oc3c(O)c(O)ccc34)c(=O)n(C)c2c1 217818497 FZFYRMLVOLCQMH-UHFFFAOYSA-N 428.404 3.796 10 50 IHCA biogenic CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C/c1ccc(-c2ccccc2F)o1 100737475 LZLHCCCNMRWBMA-LDADJPATSA-N 425.441 3.539 10 50 IHCA O=c1[nH]c2cc3c(cc2cc1-c1c2cn[nH]c2nc2c1oc1c(O)c(O)ccc12)OCCO3 217839587 CYBBYZVAUCRTQY-UHFFFAOYSA-N 442.387 3.548 10 50 IHCA biogenic CN(C)c1ccc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2ccccc2)cc1 97743290 PFRSABFPMWBXNL-VXNXHJTFSA-N 427.504 3.799 10 50 IHCA Cc1ccc(/C=C2\SC(=S)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc1 1184303 OBOHXVMKMBNZPS-HKWRFOASSA-N 437.590 3.545 10 50 IHCA CCOc1cc(/C=C2/C(=O)N(c3ccc(C)cc3C)C(=O)N=C2O)cc([N+](=O)[O-])c1O 15837841 OCXZCRDGFCNDFI-RIYZIHGNSA-N 425.397 3.823 10 50 IHCA COc1cc(/C=C2\C(=O)NN(c3ccc(C)c(C)c3)C2=O)ccc1OC(=O)c1ccccc1 206330638 JGNFLSPIIMNAGC-KGENOOAVSA-N 442.471 3.993 10 50 IHCA COC(=O)CN1C(=O)/C(=C/c2ccc(OCc3ccccc3)c(OC)c2)SC1=S 1213332 UGKOVWNHAHBMNM-WQRHYEAKSA-N 429.519 3.648 10 50 IHCA COC(=O)COc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1Br 14010130 TUHHITOPFXGDKZ-YBEGLDIGSA-N 429.270 3.807 10 50 IHCA CN(C)c1ccc(/C=C2/C(=N)N3N=C(c4ccco4)SC3=NC2=O)cc1Br 16212260 XAAGUFRCDVPEPM-GDGARQCUSA-N 444.314 3.776 10 50 IHCA CCCCN1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cc([N+](=O)[O-])ccc3O)N2C1=O 96179452 ARYCFAVIZVGUAH-GHTZIAJQSA-N 434.452 3.860 10 50 IHCA COc1ccc(N2C(=O)/C(=C/c3ccc(O)c(Br)c3)C(O)=NC2=S)cc1 2878737 GIZIZRINEWPMHG-MDWZMJQESA-N 433.283 3.835 10 50 IHCA Cc1cc(C)c(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)c(C)c1 3879185 YKHGPGKCMQFZSK-UHFFFAOYSA-N 436.489 3.960 10 50 IHCA aggregator COc1ccc(N2CCN(C(=O)C3CCN(C(=O)c4cccc(Cl)c4)CC3)CC2)cc1 783959 GXXYFMHDIGXROD-UHFFFAOYSA-N 441.959 3.550 10 50 IHCA Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3)[C@H]2c2ccc(N(C)C)cc2)cc1 10078489 BKWMDOOEJAGBPS-XMMPIXPASA-N 449.576 3.907 10 50 IHCA COC(=O)C[C@@H](c1c(O)cc(C)n(CCc2ccc(O)c(O)c2)c1=O)C1CCCCC1 253402126 GBCARXPPOFSYSO-GOSISDBHSA-N 429.513 3.743 10 50 IHCA biogenic Cc1ccc2oc(C(=O)N(Cc3ccc(N(C)C)cc3)[C@@H]3CCS(=O)(=O)C3)c(C)c2c1 15919337 QXIOYAWISXWYSS-HXUWFJFHSA-N 440.565 3.945 10 50 IHCA O=C1N=C(O)/C(=C/C=C/c2ccco2)C(=O)N1c1ccc(I)cc1 15798905 BMYZJMGCJQZQDR-NQDFZQDQSA-N 434.189 3.947 10 50 IHCA COc1ccc2c(c1)C=C[C@@H]1[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3[C@@H](C(=O)C(C)(C)C)N21 229640443 SWLLMWRMWZRRET-MLNNCEHLSA-N 448.494 3.839 10 50 IHCA CC[C@@H]1CCc2c(sc(NS(=O)(=O)c3ccc(Br)cc3)c2C(N)=O)C1 6156129 DBIVQGSRBPOIKW-SNVBAGLBSA-N 443.388 3.925 10 50 IHCA O=C1N=C(N2CCN(c3cccc(Cl)c3)CC2)S/C1=C/c1ccc(O)c([N+](=O)[O-])c1 13537085 UQUPHIUIHMYGEW-WOJGMQOQSA-N 444.900 3.746 10 50 IHCA COc1cc(/C=C2/C(=O)NN(c3ccc(Cl)cc3)C2=O)ccc1OC(=O)c1ccco1 1125829 CAJBQDNAZSTUCQ-WJDWOHSUSA-N 438.823 3.622 10 50 IHCA COC(=O)Cn1cc(/C=C2/C(=O)N(c3ccccc3C)C(=S)N=C2O)c2ccccc21 1197976 YUDBCXCAUFGQAY-GZTJUZNOSA-N 433.489 3.794 10 50 IHCA Cc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc([N+](=O)[O-])cc3O)C2=O)cc1 8714012 KVCDDOXQWQCMBL-YVLHZVERSA-N 443.506 3.839 10 50 IHCA CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C(=O)O)c2C(=O)OC)C1 239038507 DIMFTUHFTPGNFD-OFTPVTLVSA-N 449.569 3.893 10 50 IHCA Cc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)c3ccc(C)cc3)c(O)cc2C)cc1 823283 JODPOZDULJKWEB-UHFFFAOYSA-N 431.535 3.951 10 50 IHCA COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OC(=O)c1ccco1 13424013 KSCZKRMLVFGVTB-JVVDOCDTSA-N 445.518 3.888 10 50 IHCA CN(C)c1ccc(/C=C/CN2CCC3(CC2)C(=O)N(CCc2ccccc2)C(=O)N3C)cc1 14752251 MWXBDGWFGKYXKU-JXMROGBWSA-N 446.595 3.737 10 50 IHCA Cc1c(N2C(=O)/C(=C3/CN(C)c4ccccc43)SC2=S)c(=O)n(-c2ccccc2)n1C 25763933 BBCANMCONNVOGE-LVZFUZTISA-N 448.573 3.710 10 50 IHCA CCCCN1C(=O)[C@@H]2ON(c3ccccc3)[C@H](c3cc(Br)ccc3O)[C@H]2C1=O 135634532 OHZDMHXAYPJNCU-GUDVDZBRSA-N 445.313 3.801 10 50 IHCA CCOC(=O)c1c(NC(=O)[C@H]2[C@H](C(=O)O)[C@H]3CC[C@H]2O3)sc2c1CCCCCCC2 239415433 UMAMRECRQJXFCC-DTTOXWODSA-N 435.542 3.791 10 50 IHCA CCOc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(=O)O 2997855 GLIAUMJOXWWXOY-WOJGMQOQSA-N 429.519 3.950 10 50 IHCA CCOc1cc(/C=C2/C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)N=C2O)cc(Cl)c1O 15836267 YOTOLDMPVDKGKC-AWNIVKPZSA-N 431.788 3.859 10 50 IHCA CCOC(=O)c1ccc(NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)cc1 11328118 NQLLXCCAQJJDDV-UHFFFAOYSA-N 444.399 3.799 10 50 IHCA CCN(CC)c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(OC)c1 1065677 HRNALRBSTOSKMV-LDADJPATSA-N 427.501 3.512 10 50 IHCA CCOc1cc(/C=C2\C(=N)N3N=CSC3=NC2=O)ccc1OC(=O)c1cccs1 6498139 CWNKWIHNVXWXTL-CJHGCLHJSA-N 426.479 3.615 10 50 IHCA Cc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc(F)cc3F)cc2)cc1 14253370 NLOXEHUSCAYPBA-UHFFFAOYSA-N 438.477 3.875 10 50 IHCA CCN1C(=O)NC(=O)/C(=C\c2cn(CCOc3ccc(Cl)cc3)c3ccccc23)C1=O 1152125 OKKBIJRTGKWMPK-CPNJWEJPSA-N 437.883 3.855 10 50 IHCA COc1ccc(N2CCN(C(=O)C(C)(C)Oc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 12381168 OCUWFLRJGSYPRW-UHFFFAOYSA-N 433.892 3.763 10 50 IHCA CCN1C(=O)/C(=C/c2c(NCc3ccccc3)nc3c(C)cccn3c2=O)SC1=S 1302000 NFKZJNWNHGCCLA-ATVHPVEESA-N 436.562 3.836 10 50 IHCA COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(CCC2=CCCCC2)C1=O 1155400 UCKAXDRRFQUIPD-FOWTUZBSSA-N 433.302 3.810 10 50 IHCA COCCN1C(=O)/C(=C/c2ccc(OCc3ccc(C(=O)O)cc3)cc2)SC1=S 2953377 QHINHUKWPYSWAC-PDGQHHTCSA-N 429.519 3.811 10 50 IHCA CC(C)CNC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 217881198 SZBHFTQBTMHWMW-VWLOTQADSA-N 430.552 3.951 10 50 IHCA biogenic COc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3O)C(O)=NC2=S)cc1 2878856 ZNVAEOCWTMOCSP-NTEUORMPSA-N 433.283 3.835 10 50 IHCA COc1ccc(/C=C2\SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)cc1OC 1737119 WKZIZPOMODBDLP-SXGWCWSVSA-N 434.926 3.903 10 50 IHCA O=c1[nH]c2cc3c(cc2cc1-c1c2cn[nH]c2nc2c1oc1c(O)c(O)ccc12)OCO3 217918272 HVHIBBMKALYBJG-UHFFFAOYSA-N 428.360 3.506 10 50 IHCA biogenic O=C(O)CN1C(=O)/C(=C2/C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)SC1=S 16267285 OHRRPYVWDWHTKO-MSUUIHNZSA-N 444.921 3.543 10 50 IHCA CCc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3ccccc3C(=O)O)C2=O)cc1 22215940 FDCWYHKJDZJOSN-GZTJUZNOSA-N 426.519 3.787 10 50 IHCA CCc1ccc(N2NC(=O)/C(=C/c3ccc(OC(=O)c4cccs4)c(OC)c3)C2=O)cc1 8443150 JCLZLCWJPWYQQZ-AQTBWJFISA-N 448.500 4.000 10 50 IHCA Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 12362919 LTRLVTXQWPYSCW-UDWIEESQSA-N 446.488 3.834 10 50 IHCA CCc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3ccc([N+](=O)[O-])cc3O)C2=O)cc1 22215994 NMJAPQXRTUCZBO-RQZCQDPDSA-N 443.506 3.703 10 50 IHCA COc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccc(Br)cc2C)C1=O 1203867 KMJRKOXLOFPOLK-GXDHUFHOSA-N 431.311 3.597 10 50 IHCA Cc1cc(C)nc(NS(=O)(=O)c2ccc(/N=N/c3ccc(N)c(C(=O)O)c3)cc2)n1 4528854 AOQOBVSQDBQULZ-WCWDXBQESA-N 426.458 3.590 10 50 IHCA CN(C)c1ccc([C@@H]2NN(Cc3ccccc3)[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]23)cc1 101938749 GMHYZXHTYPNJHQ-TZRRMPRUSA-N 432.568 3.500 10 50 IHCA CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc(Cl)c1OCc1ccccc1 2878278 XVHVTKYAZIYJFX-UHFFFAOYSA-N 428.872 3.752 10 50 IHCA CCN1C(=O)/C(=C/c2ccccc2OS(=O)(=O)c2ccc(OC)cc2)SC1=S 3000722 CLRLJBUQMPLBKR-ATVHPVEESA-N 435.548 3.684 10 50 IHCA O=C1NC(=S)N(CCC2=CCCCC2)C(=O)/C1=C\c1cc2c3c(c1)CCCN3CCC2 13550938 LTVOZZCFVRNTEM-PGMHBOJBSA-N 435.593 3.903 10 50 IHCA CCOc1c(Br)cc(/C=C2/C(=O)NN(c3ccc(CC)cc3)C2=O)cc1OC 22170795 RESWTZRQSHUOGY-YBEGLDIGSA-N 445.313 3.880 10 50 IHCA Cc1ccc(OCC(=O)NC(=S)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 8986437 HWVIFKGNTPWZSP-UHFFFAOYSA-N 430.485 3.662 10 50 IHCA CSCC[C@H](NS(=O)(=O)c1ccc(/N=N/c2ccc(N(C)C)cc2)cc1)C(=O)O 13512749 YGFUZBPDTRWEQW-MKSIGINJSA-N 436.559 3.653 10 50 IHCA O=C1/C(=C\c2ccc(OCc3ccccc3)cc2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 1139077 ATJNUJYULAQEOK-MIQLPHMESA-N 445.587 3.654 10 50 IHCA COc1ccc(N2CCN([C@@H]3CCCN(C(=O)c4ccc(SC)cc4)C3)CC2)cc1 15064837 NIPMPBKVMMXEKS-OAQYLSRUSA-N 425.598 3.844 10 50 IHCA COC(=O)[C@@H]1C[C@@H](NC(=O)c2ccccc2-c2ccccc2)CN1Cc1ccccc1O 14997789 BHNVPECGHKKPHU-OFNKIYASSA-N 430.504 3.605 10 50 IHCA COc1cc(/C=C2\C(=O)N=C(O)N(c3ccc(C)c(C)c3)C2=O)c(Br)cc1O 8767840 YFVXDIVODWQEOF-VGOFMYFVSA-N 445.269 3.651 10 50 IHCA COc1ccc(OS(=O)(=O)c2ccc(C)cc2)c(/C=C2\SC(=S)N(C)C2=O)c1 16212761 SMAVJLPPUBDEJJ-BOPFTXTBSA-N 435.548 3.602 10 50 IHCA COc1ccc2nc(N/C=C3/C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)sc2c1 2748052 YKRXEXODLQMPBL-LCYFTJDESA-N 428.857 3.537 10 50 IHCA Cc1ccccc1[C@@H]1OC2(C(=O)c3ccccc3C2=O)[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]21 101825110 GYDHLGWHEOWFJH-BDTNDASRSA-N 443.499 3.818 10 50 IHCA O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2)o1 1173471 CXSFAYVKKJMVRS-MHWRWJLKSA-N 436.807 3.995 10 50 IHCA CCOc1cccc(CN2CCC[C@@H](N3CCN(c4ccc(OC)cc4)CC3)C2)c1O 20452889 GTIOHWBPQGVYIE-JOCHJYFZSA-N 425.573 3.586 10 50 IHCA CCOc1ccc(/C=C2/SC(=S)N([C@H](CCSC)C(=O)O)C2=O)cc1OC 32694327 FDLZXRWZCRWRLH-JXCQQFQQSA-N 427.569 3.501 10 50 IHCA Cc1noc(C)c1CN1CCN(Cc2c(O)ccc3occ(C(=O)c4ccco4)c23)CC1 218570911 IFSNSHFQWGMILH-UHFFFAOYSA-N 435.480 3.885 10 50 IHCA Cc1ncc2c(c1CNC(=O)CCOc1ccccc1)CCN(Cc1ccccc1O)C2 19838359 DUQBASUTOPQHGU-UHFFFAOYSA-N 431.536 3.739 10 50 IHCA CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c(OCC)c1 16676109 HFRWKWRVXDSSCW-LICLKQGHSA-N 430.913 3.969 10 50 IHCA CCOC(=O)CSCCOc1ccc(/C=C2\SC(=S)N(CC)C2=O)cc1OC 22289182 SMEIRUZJHJZRNW-WJDWOHSUSA-N 441.596 3.591 10 50 IHCA Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C(C)C)C3=O)c(N3CCC(C)CC3)nc12 1255052 YMOQJEVYDUFRQI-ATVHPVEESA-N 442.610 3.849 10 50 IHCA O=C1/C(=C/c2ccc(OCc3ccccc3)cc2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 2279253 ATJNUJYULAQEOK-LSPINASFSA-N 445.587 3.654 10 50 IHCA COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)C1=O 9262552 IKXPWFSYUOHBIK-KOLYXTFFSA-N 435.841 3.896 10 50 IHCA O=C1[C@H]2[C@H](C(=O)N1C1CCCC1)C1(O[C@H]2c2ccc(Cl)cc2)C(=O)c2ccccc2C1=O 104919878 NJOFSRUEBYWJCU-ZCNNSNEGSA-N 449.890 3.773 10 50 IHCA C[C@H](NC(=O)c1cc(N(C)S(C)(=O)=O)ccc1Cl)c1ccc(N2CCCC2)cc1 67601951 CSALGGWTHIVJIE-HNNXBMFYSA-N 435.977 3.827 10 50 IHCA CCOC(=O)c1ccc(N2N=C(C)/C(=C/c3ccc(OC(=O)CC)c(OC)c3)C2=O)cc1 1137773 CVOSXRFLIBLCSQ-UYRXBGFRSA-N 436.464 3.993 10 50 IHCA COc1ccc(OC)c(S(=O)(=O)Nc2cc(SCC(=O)O)c(O)c3ccccc23)c1 1926257 FPTMIZJURSOJKZ-UHFFFAOYSA-N 449.506 3.540 10 50 IHCA CCOc1ccc(N2C(=O)N=C(O)/C(=C\c3cc(OCC)c(O)c([N+](=O)[O-])c3)C2=O)cc1 15822822 YVILGMXFOTWHFY-OQLLNIDSSA-N 441.396 3.605 10 50 IHCA CCOc1cc(/C=C2\SC(=S)NC2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 15746267 BNSLAMFURPARJD-BOPFTXTBSA-N 435.548 3.650 10 50 IHCA CCc1ccc(N2N=C(C)/C(=C/c3ccc(-c4ccc(S(N)(=O)=O)cc4)o3)C2=O)cc1 22108413 NMJJNSUMMCJLKT-STZFKDTASA-N 435.505 3.963 10 50 IHCA COc1cc(/C=C2/C(=O)NN(c3ccc(Br)cc3)C2=O)ccc1OCC(C)C 16265478 SPOSOEWZRFAMML-YVLHZVERSA-N 445.313 3.954 10 50 IHCA CCCCN1C(=O)/C(=C/c2c(NCc3ccco3)nc3ccccn3c2=O)SC1=S 2520586 HEQFAVMOPVLYJJ-VBKFSLOCSA-N 440.550 3.901 10 50 IHCA COc1ccc(/C=C2\SC(N3CCN(Cc4ccc(F)cc4)CC3)=NC2=O)c(OC)c1 20607152 WSUZIJJFZSMXID-BKUYFWCQSA-N 441.528 3.631 10 50 IHCA COc1ccc(N2CCN(C(=O)COc3ccc(Cl)cc3Br)CC2)cc1 1112179 VSPVBJJZHPCKME-UHFFFAOYSA-N 439.737 3.839 10 50 IHCA Cn1cc(CN2CCN(C3=NC(=O)/C(=C/c4ccc(Cl)cc4Cl)S3)CC2)cn1 20606539 CIFPLGYENVODSO-IUXPMGMMSA-N 436.368 3.515 10 50 IHCA Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)C2=O)cc1 8990087 YTGJQPQLOWBTCT-BKUYFWCQSA-N 444.447 3.977 10 50 IHCA CC(C)CN1C(=O)/C(=C/c2c(NCc3ccco3)nc3ccccn3c2=O)SC1=S 1464688 UTIBLJCMBONZEA-YBEGLDIGSA-N 440.550 3.757 10 50 IHCA O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C\c1ccc(OC(=O)c2ccc(F)cc2)cc1 16247720 OABIKCZUYIPOPD-STZFKDTASA-N 444.418 3.707 10 50 IHCA CCOc1cc(/C=C2/C(=O)N(c3ccccc3Cl)C(=O)N=C2O)cc([N+](=O)[O-])c1O 15822814 SGLIJVQQNWTHKU-YRNVUSSQSA-N 431.788 3.859 10 50 IHCA C[C@@H](Oc1ccc(/C=C2/C(=O)N(c3cccc(Cl)c3)C(=S)N=C2O)cc1)C(=O)O 15821805 MEVWASZAEAZSCU-LKBVRNOZSA-N 430.869 3.864 10 50 IHCA O=C(CN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)Nc1ccccn1 6457114 XAIZQKVRRGJCGE-LCYFTJDESA-N 434.340 3.684 10 50 IHCA Cc1cc(NS(=O)(=O)c2ccc(Cl)cc2)cc(S(=O)(=O)c2ccccc2)c1O 3620721 YETDNWSMKXUKDP-UHFFFAOYSA-N 437.926 3.988 10 50 IHCA O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1cnn(-c2ccccc2)c1 1132185 YMBISPOZQZCXQC-MFOYZWKCSA-N 442.422 3.722 10 50 IHCA COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCc1cccc2ccccc12 1168265 OSQVRFZNRVOFBI-UHFFFAOYSA-N 436.851 3.830 10 50 IHCA COc1ccc2c(c1)C=C[C@@H]1[C@@H]3C(=O)N(c4cccc(Cl)c4C)C(=O)[C@@H]3[C@H](C(C)=O)N21 245255855 LYWNPVXGAPZUCK-MLNNCEHLSA-N 436.895 3.636 10 50 IHCA CC1=C(C(=O)Nc2cccc(C)c2)[C@@H](c2cc(Br)ccc2O)NC(=S)N1 1187694 DJCQMPYLXSMWFQ-QGZVFWFLSA-N 432.343 3.895 10 50 IHCA COc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3cccc(O)c3)C2=O)cc1OC 1180430 OCMSFQVPDKBEHT-WQRHYEAKSA-N 444.534 3.639 10 50 IHCA Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]32)cc1 169694789 AWAWUILLUYUZGG-VSKRKVRLSA-N 443.499 3.818 10 50 IHCA COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4)o3)C(=O)NC2=S)c(OC)c1 1133985 GFAYHUIHGUFJGD-SFQUDFHCSA-N 434.473 3.795 10 50 IHCA O=C1/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 1288468 ONMFXYFMCMAAMF-BPKVKKHESA-N 439.967 3.988 10 50 IHCA O=C(Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)Nc1nccs1 888103812 AOMHPFOPZWIERX-UHFFFAOYSA-N 427.489 3.670 10 50 IHCA COc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)ccc1OCc1ccccc1F 12419565 VKGXYFYXKCMIJM-RQZCQDPDSA-N 433.482 3.699 10 50 IHCA CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 6169128 QELFWBJMUQVTSL-JWGURIENSA-N 438.553 3.888 10 50 IHCA Cc1ccc(CNc2nc3ccc(C)cn3c(=O)c2/C=C2\SC(=S)N(C)C2=O)cc1 16156417 YWNYPKFBCPARQD-YVLHZVERSA-N 436.562 3.754 10 50 IHCA COc1ccccc1/C=C1\SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O 1107425 DHXLTHJGDIEBTK-AQTBWJFISA-N 437.546 3.899 10 50 IHCA COc1ccc(CN2CCC[C@H](CCC(=O)NCc3ccc(OC)cc3OC)C2)c(O)c1 12597603 JSSPJPOBNFNROL-GOSISDBHSA-N 442.556 3.727 10 50 IHCA CCc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3cc([N+](=O)[O-])ccc3O)C2=O)cc1 22215846 HTJMOHHCMQTVLL-RQZCQDPDSA-N 443.506 3.703 10 50 IHCA CCOc1cccc(CN2CCC3(CC2)C[C@H]3C(=O)NCCc2ccccc2OC)c1O 14889122 FSGMIOGQLYEBDN-NRFANRHFSA-N 438.568 3.761 10 50 IHCA COC(=O)c1cc(Br)ccc1-c1ccc(C=C2C(=O)OC(C)(C)OC2=O)o1 1140169 WVDVJBKRCDYDJD-UHFFFAOYSA-N 435.226 3.715 10 50 IHCA CCOc1cc(/C=C2/SC(=O)N(NC(=O)c3cccc([N+](=O)[O-])c3)C2=S)ccc1O 1799971 RQKFPRJLLCBWRS-CXUHLZMHSA-N 445.478 3.881 10 50 IHCA CCOc1cc(/C=C2\SC(=S)NC2=O)cc(I)c1OCC 1195701 KKHRCSNVULYDOO-XFFZJAGNSA-N 435.308 3.577 10 50 IHCA CCOC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)C1=O 2946659 UIPUZDWBISFWKB-NVNXTCNLSA-N 435.841 3.898 10 50 IHCA CCOc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N=C2O)ccc1O[C@H](C)C(=O)O 14011055 AYBWOJCCHKEQGJ-RQNDZEIBSA-N 438.436 3.752 10 50 IHCA O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(O)c(Cl)c1 1197903 ANUKKSKAGYSWHO-KPKJPENVSA-N 437.702 3.639 10 50 IHCA O=C1/C(=C\c2ccc(-c3ccccc3Cl)o2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 1793519 VRACRGSGKJNZNS-LKBVRNOZSA-N 439.967 3.988 10 50 IHCA CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@H]3[C@H](C(=O)O)[C@H]4CC[C@H]3O4)c2C(=O)OC)C1 239038508 DIMFTUHFTPGNFD-TUXNIGETSA-N 449.569 3.893 10 50 IHCA O=C1NC(=S)NC(=O)C1=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1 693794 TVGXVVBFASNKNW-UHFFFAOYSA-N 443.731 3.761 10 50 IHCA CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1 19925506 ZOLMLDTVICAKKD-HAHDFKILSA-N 447.516 3.719 10 50 IHCA Cc1ccc(/C=C2\SC(=S)N(CCC(=O)N(CCO)Cc3ccccc3)C2=O)cc1 13798869 HFDHKJFCNCJVQF-HKWRFOASSA-N 440.590 3.607 10 50 IHCA COc1ccc(/C=C2/SC(=S)N([C@H](Cc3ccccc3)C(=O)O)C2=O)c(OC)c1 26771451 ONIDHPRSLSTMSH-YCPFAOKUSA-N 429.519 3.601 10 50 IHCA O=C1/C(=C\c2cccs2)SC(=S)N1CCCC(=O)N(CCO)c1ccccc1 9348218 VMCHTMUMBIONGD-SAPNQHFASA-N 432.592 3.755 10 50 IHCA COc1ccc([C@H](NC(=O)C(C)C)c2cc([N+](=O)[O-])c3cccnc3c2O)cc1OC 16213910 JQBGJAMGONLECO-IBGZPJMESA-N 425.441 3.727 10 50 IHCA CC1=NN(c2ccc(I)cc2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1O 100884158 SMUANYYKNKQSRN-OQLLNIDSSA-N 449.204 3.711 10 50 IHCA CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(C)n(-c2ccc(S(N)(=O)=O)cc2)c1C 635629 ACOIKUCXCHPSNU-HYARGMPZSA-N 434.521 3.548 10 50 IHCA CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cc(Br)ccc2O)NC(=S)N1 828823 MRKGCSJXAVRYAB-KRWDZBQOSA-N 432.343 3.895 10 50 IHCA COc1cc(/C=C2/C(=O)N(c3ccc(I)cc3)N=C2C)ccc1O 3890790 PMCPKBQDWJJFIJ-OQLLNIDSSA-N 434.233 3.812 10 50 IHCA Cc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3O)C(=O)NC2=S)cc1C 714716 ZTYWHIBEBXJZFY-OQLLNIDSSA-N 431.311 3.603 10 50 IHCA COc1ccc(NC(=O)CCN2C(=O)/C(=C\c3cccc(OC)c3)SC2=S)cc1 9183592 DYRYENLKFMFNMQ-QGOAFFKASA-N 428.535 3.934 10 50 IHCA CCCN1C(=O)/C(=C/c2c(NCc3ccco3)nc3ccccn3c2=O)SC1=S 1249269 HLUYVOOWZPUTLO-PTNGSMBKSA-N 426.523 3.511 10 50 IHCA CN1C(=O)/C(=C2/C(=O)N(CC(=O)Nc3cccc(Cl)c3)c3ccccc32)SC1=S 2304121 AOPADBBZEWUDLC-MSUUIHNZSA-N 443.937 3.527 10 50 IHCA Cc1ccc2nc(Sc3ccccc3)c(/C=C3\SC(=S)N(C)C3=O)c(=O)n2c1 1150536 GAOZXYWANKNIOX-GDNBJRDFSA-N 425.560 3.985 10 50 IHCA Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(O)c(Br)c3)C2=O)cc1Cl 15012808 JXQMVJNXFCHEIT-SDQBBNPISA-N 435.661 3.783 10 50 IHCA CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4cccnc4)c3C)C2=O)cc1 9010567 UMGTUXMQFMDRBY-FYJGNVAPSA-N 430.464 3.554 10 50 IHCA COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)cc1 9891820 WDMNURSGKDEVMR-PDGQHHTCSA-N 433.376 3.530 10 50 IHCA COc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3cccc(C(=O)O)c3)C2=O)cc1 2451213 MQSLIGKXNJPGNP-BOPFTXTBSA-N 442.518 3.623 10 50 IHCA CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)NCC4CC4)c4ccccc34)[C@@H]21 1772501423 VJHIQCWNSAUNNM-RUZDIDTESA-N 428.536 3.705 10 50 IHCA CCCC(=O)N[C@@H](c1ccc(O)c(OCC)c1)c1cc([N+](=O)[O-])c2cccnc2c1O 1156413 CYRJRORWILRHNR-FQEVSTJZSA-N 425.441 3.959 10 50 IHCA Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(N(C)C)cc3)C(=O)NC2=S)cc1 1172508 ZTKZDPZZQLIUTQ-RCCKNPSSSA-N 430.533 3.683 10 50 IHCA CC(=O)c1c(O)c(/N=N/c2ccc(S(=O)(=O)Nc3nccs3)cc2)c(C)oc1=O 5345126 LOYVIUKLDMFZED-FMQUCBEESA-N 434.455 3.529 10 50 IHCA Cc1ccc(S(=O)(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2O)cc1 2867982 JUMCYIXYXWDWCY-UHFFFAOYSA-N 437.926 3.988 10 50 IHCA Cc1cc(NC(=O)CN2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)no1 1218122 YSECNKYHLMUMQB-GHXNOFRVSA-N 438.328 3.585 10 50 IHCA Cc1cc(C)c(N/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(C)c1 2831611 XOAAXESTVUVNGO-YBEGLDIGSA-N 428.286 3.953 10 50 IHCA COc1ccc2c(c1)C=C[C@@H]1[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3[C@@H](C(=O)C(C)(C)C)N21 247967313 SWLLMWRMWZRRET-MBDNFAEBSA-N 448.494 3.839 10 50 IHCA O=C1C[C@@H](N2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)C(=O)N1c1ccccc1 100849233 CTFQRIJYJLCGSB-CCAPLTMGSA-N 428.922 3.873 10 50 IHCA Cc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccccc3C(=O)O)C2=O)cc1 13798683 AZYMMOXNZWJTJX-ATVHPVEESA-N 426.519 3.923 10 50 IHCA COCCCN1C(=O)/C(=C\c2cc(C)n(-c3ccccc3F)c2C)C(C(=O)OC)=C1C 2815592 TUGLBGNGDXDUAK-RGEXLXHISA-N 426.488 3.942 10 50 IHCA COC(=O)c1ccc(/C=C2/C(=O)N(c3ccc(Br)cc3)C(=O)N=C2O)cc1 15723281 HAIVJFBWGSNYRM-XNTDXEJSSA-N 429.226 3.742 10 50 IHCA O=C1[C@H]2[C@H](C(=O)N1C1CCCCC1)C1(O[C@H]2c2cccc(F)c2)C(=O)c2ccccc2C1=O 18164752 SODOYIODHLUREF-HBMCJLEFSA-N 447.462 3.649 10 50 IHCA CC(C)(C)n1cccc1/C=C1\C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O 101735937 CCLKJXMKMZTOJB-RVDMUPIBSA-N 432.343 3.837 10 50 IHCA CCC[C@H]1CCc2c(sc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)c2C(N)=O)C1 2103264 RIXKXQREARLKHC-ZDUSSCGKSA-N 435.571 3.511 10 50 IHCA CC1CCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C(C)C)C2=O)CC1 1464547 CXUZIRAPCCSYHX-VBKFSLOCSA-N 428.583 3.540 10 50 IHCA Cc1ccc(CNc2nc3ccc(C)cn3c(=O)c2/C=C2/SC(=S)N(C)C2=O)cc1 33313293 YWNYPKFBCPARQD-LICLKQGHSA-N 436.562 3.754 10 50 IHCA COc1ccccc1/C=C1/SC(=S)N(CCC(=O)Nc2ccccc2C(=O)O)C1=O 2987700 JALBBTBBQBPUNZ-SFQUDFHCSA-N 442.518 3.623 10 50 IHCA Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 13553113 OJZBUACOFMVPBE-KEBDBYFISA-N 448.410 3.808 10 50 IHCA N=C1/C(=C/c2ccc(OC(=O)c3ccco3)cc2)C(=O)N=C2SC(C(F)(F)F)=NN12 16247376 XDIKAECIYGZJOT-CNWSTNQWSA-N 434.355 3.680 10 50 IHCA CC(C)CCNC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 1772500406 BSRMMRNJLDBLFN-RUZDIDTESA-N 430.552 3.951 10 50 IHCA CS(=O)(=O)Nc1ccccc1[C@H]1CC(c2ccccc2O)=NN1C(=O)c1ccccc1 252481054 CHGZEBQWZPCTHU-OAQYLSRUSA-N 435.505 3.755 10 50 IHCA CCCCN1C(=O)/C(=C/c2c(N3CCCCC3)nc3ccc(C)cn3c2=O)SC1=S 1815650 ZGCJQYPKLXRCNO-LGMDPLHJSA-N 442.610 3.995 10 50 IHCA CC(=O)Nc1ccc(S(=O)(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C(C)(C)C)C3)cc1 3991752 VVFPRFCUISMCNX-ZDUSSCGKSA-N 449.598 3.757 10 50 IHCA O=C(COc1ccc(F)cc1F)NC[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 1875255083 PGNGSLSVLBPRRP-CYBMUJFWSA-N 430.373 3.885 10 50 IHCA O=C(CN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1ccc(C(=O)O)cc1 1180510 CRJFKKFABTUXTN-DHDCSXOGSA-N 432.910 3.878 10 50 IHCA CCCCN1C(=O)c2ccc(C(=O)Nc3ccc(Br)cc3C(=O)O)cc2C1=O 2862597 QOVHQTHJRRXDOZ-UHFFFAOYSA-N 445.269 3.796 10 50 IHCA CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)Nc4ccccn4)c4ccccc34)[C@@H]21 1772501491 WINHSOBGBZCKSK-RUZDIDTESA-N 437.503 3.822 10 50 IHCA CCN1C(=O)/C(=C/c2c(NCCc3ccccc3)nc3ccccn3c2=O)SC1=S 26965220 AFOFZNNBVMHDJN-VKAVYKQESA-N 436.562 3.570 10 50 IHCA CCCCCOc1ccc(/C=C2/SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1 33914500 YXXCNNOVFOFECN-YSKWHIJTSA-N 425.597 3.644 10 50 IHCA Oc1ccccc1CN(C[C@@H](O)COc1ccc(Br)cc1)C[C@H]1CCCO1 239402683 QZJLBKZWIMPBMG-UYAOXDASSA-N 436.346 3.576 10 50 IHCA CCN1C(=O)/C(=C2\SC(=S)N(c3cc(OC)ccc3OC)C2=O)c2ccccc21 1091724 NKNCYZRGRWVTRK-ZCXUNETKSA-N 426.519 3.846 10 50 IHCA CCCC(=O)N[C@H](c1ccc(OC)c(OC)c1)c1cc([N+](=O)[O-])c2cccnc2c1O 6146594 FIYPDQWKRCVHIC-HXUWFJFHSA-N 425.441 3.872 10 50 IHCA N=C1/C(=C/c2ccc(OS(=O)(=O)c3ccccc3)c(Cl)c2)C(=O)N=C2SC=CN12 16213887 NVSDVSFHYCJKTR-QBILMKHKSA-N 445.909 3.885 10 50 IHCA CCCN1C(=O)/C(=C/c2c(NCc3ccco3)nc3ccc(C)cn3c2=O)SC1=S 1237073 HPRQIZHEECOFGC-YBEGLDIGSA-N 440.550 3.819 10 50 IHCA O=C1NN(c2ccccc2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1OCc1ccccc1F 1183390 MRAXFUCXCUEQQV-CPNJWEJPSA-N 433.395 3.774 10 50 IHCA CC[C@H](C)N1C(=O)/C(=C/c2c(N3CCCCC3)nc3c(C)cccn3c2=O)SC1=S 16713534 UIMIPKJGGPFPJH-SUCHYCSPSA-N 442.610 3.993 10 50 IHCA CCCN1C(=O)/C(=C2\SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)c2ccccc21 16790592 WAZDUFXTGWXVSZ-ZCXUNETKSA-N 437.546 3.668 10 50 IHCA O=c1cc(-c2ccccc2)c2ccc(O)c(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)c2o1 409413061 ARLDVUFLHIJXHG-MJGOQNOKSA-N 440.499 3.947 10 50 IHCA biogenic O=C1Nc2ccc(Br)cc2/C1=C1/SC(=S)N(c2ccc(O)cc2)C1=O 970616 FQPYQOBZEIXFES-YPKPFQOOSA-N 433.308 3.883 10 50 IHCA CCOc1cc(/C=C2/C(=O)N(c3cccc(Cl)c3)C(=O)N=C2O)cc([N+](=O)[O-])c1O 15836149 ONGGHPPYMVCSJM-AWNIVKPZSA-N 431.788 3.859 10 50 IHCA O=C1[C@H]2[C@H](C(=O)N1C1CCCCC1)C1(O[C@H]2c2ccc(F)cc2)C(=O)c2ccccc2C1=O 100371072 MLXQHVURHOIKLS-HBMCJLEFSA-N 447.462 3.649 10 50 IHCA Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CC(C)C)C3=O)c(N3CCCCC3)nc12 1259705 RBAVLSBHHLHFIO-ATVHPVEESA-N 442.610 3.850 10 50 IHCA CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1Br 15745871 PILMFFOODRPNRV-XNTDXEJSSA-N 429.270 3.823 10 50 IHCA Cc1cc(C(=O)NC[C@@H]2CCC3(CCN(Cc4c(O)ccc5ccccc45)CC3)O2)n(C)n1 11783505 PKLVBDDWSSHIHO-FQEVSTJZSA-N 448.567 3.531 10 50 IHCA CCc1nnc(NC(=O)CCN2C(=O)/C(=C/c3ccccc3Cl)SC2=S)s1 16945265 VRNYTTZCJKDTHT-XFXZXTDPSA-N 438.987 3.984 10 50 IHCA Cc1c(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)c2ccccc2n1C 15799678 FPNFFLMQBWEWIA-GZTJUZNOSA-N 438.281 3.916 10 50 IHCA COc1ccccc1/C=C1/SC(=S)N(CCC(=O)Nc2cccc(C(=O)O)c2)C1=O 2980428 AKFLSJULGQEYEB-SFQUDFHCSA-N 442.518 3.623 10 50 IHCA O=C([C@@H]1CCCN(Cc2cc(Br)ccc2O)C1)N1CCc2ccccc2C1 9933459 LNXNZWGBUXBMKJ-GOSISDBHSA-N 429.358 3.952 10 50 IHCA COc1ccc2c(c1)C=C[C@@H]1[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3[C@H](C(=O)C(C)(C)C)N21 247967308 SWLLMWRMWZRRET-CIAFKFPVSA-N 448.494 3.839 10 50 IHCA CCOc1cc(/C=C2\SC(=S)N([C@H](Cc3ccccc3)C(=O)O)C2=O)ccc1O 13576663 GZPNIXHBGWTNEU-PWDRBQJJSA-N 429.519 3.688 10 50 IHCA O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2ccc(O)c(O)c2)C(=O)N1c1cccc(Cl)c1 136371520 QHXZPCUSIUFKAP-PCCBWWKXSA-N 436.851 3.802 10 50 IHCA O=C1NC(=O)C(=Cc2cc(Br)c(Sc3ccc(Cl)cc3)o2)C(=O)N1 2982588 ZNRLTSALDSIFKK-UHFFFAOYSA-N 427.663 3.596 10 50 IHCA CC1=C(C(=O)Nc2ccc(C)cc2)[C@H](c2cc(Br)ccc2O)NC(=S)N1 8397353 CNRFYIQFTTZXIG-KRWDZBQOSA-N 432.343 3.895 10 50 IHCA COc1ccc(N2CCN(C(=O)C3CCN(Cc4ccccc4Cl)CC3)CC2)cc1 9063214 GWYAUXPVALPILK-UHFFFAOYSA-N 427.976 3.909 10 50 IHCA Cc1ccc(OCCn2c(C)c(C=C3C(=O)NC(=S)NC3=O)c3ccccc32)c(C)c1 640875 GNBZGGYWSRGVBG-UHFFFAOYSA-N 433.533 3.560 10 50 IHCA CSc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1C(=O)N1CCCCC1 16626151 SNBASRLRBPMBBT-UHFFFAOYSA-N 434.539 3.564 10 50 IHCA CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OC(=O)c1ccccc1F 16247605 VFIUWEADYGSESC-XMHGGMMESA-N 446.434 3.905 10 50 IHCA COc1ccc(N2CCN([C@H]3CCCN(C(=O)c4ccccc4SC)C3)CC2)cc1 55168531 DLKOAGDECNTGER-FQEVSTJZSA-N 425.598 3.844 10 50 IHCA CCC[C@]1(C(=O)O)N[C@H](c2ccccc2O)[C@@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]21 169712778 HJHKXSHNECMLOX-BILGYAHESA-N 444.487 3.619 10 50 IHCA COc1ccc(-c2nn(CCC(=O)O)cc2/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1 15379304 IPZPKBKRCFLRIN-STZFKDTASA-N 430.464 3.840 10 50 IHCA O=C1N=C(O)/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1 2883841 JACZYZROVBEKSH-UHFFFAOYSA-N 446.213 3.526 10 50 IHCA O=C1[C@@H]2[C@@H](c3ccccc3Cl)OC3(C(=O)c4ccccc4C3=O)[C@H]2C(=O)N1C1CCCC1 137939475 YBJZLDUSZIIPTM-XUVXKRRUSA-N 449.890 3.773 10 50 IHCA O=C1N=C(N2CCOCC2)S/C1=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 13774547 OIIVHBUPLVGNHG-HNENSFHCSA-N 439.924 3.560 10 50 IHCA O=C1N[C@H](c2c(O)ccc3ccccc23)[C@@H](C(=O)c2ccccc2)[C@](O)(C(F)(F)F)N1 226355185 UFPDWGZXDYVWTN-UEXGIBASSA-N 430.382 3.649 10 50 IHCA COC(=O)C[C@@H](c1c(O)n(CCc2ccc(O)c(O)c2)c(C)cc1=O)C1CCCCC1 409413893 MBLZTNICEWRBDK-GOSISDBHSA-N 429.513 3.743 10 50 IHCA COC(=O)CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(N2CCCC2)c(C)c1 15011269 PJQRFUNGKRILIG-QNGOZBTKSA-N 435.549 3.743 10 50 IHCA COc1ccc(OS(C)(=O)=O)c(/C=C2\SC(=S)N(c3ccccc3C)C2=O)c1 2811845 WCOIQMOXRCXLLZ-BOPFTXTBSA-N 435.548 3.748 10 50 IHCA CN1C(=O)/C(=C2\SC(=S)N(Cc3ccco3)C2=O)c2cc(Br)ccc21 13774394 SUMFHOFSCHLWJF-YPKPFQOOSA-N 435.324 3.790 10 50 IHCA COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)ccc1O 15837472 MKICUHJJUNSXBN-DEDYPNTBSA-N 444.443 3.646 10 50 IHCA COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)c(C)c1 16282165 BBYZAOLLVHHGDN-MHWRWJLKSA-N 429.270 3.741 10 50 IHCA CCOC(=O)COc1ccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1OC 1137595 BGRZXGQLCUIMJV-YVLHZVERSA-N 433.507 3.632 10 50 IHCA O=C1NC(=O)N(c2cccc(Br)c2)C(=O)/C1=C/c1cccn1-c1ccccc1 1439597 IZKRCYVUWSCHGK-QGOAFFKASA-N 436.265 3.906 10 50 IHCA Cc1c(C(=O)N2CC[C@@]34O[C@H](c5ccccc5)CN3C(=O)C[C@@H]24)n(C)c2c(C)cccc12 1857715794 IOPXGRWBRNXZEC-UZINWLIJSA-N 429.520 3.710 10 50 IHCA CCCCN1C(=O)/C(=C/c2c(N3CCC(C)CC3)nc3ccccn3c2=O)SC1=S 2276222 JIPPWXRDFWRTSZ-VKAVYKQESA-N 442.610 3.932 10 50 IHCA CCCN1C(=O)/C(=C/c2c(NCc3ccco3)nc3c(C)cccn3c2=O)SC1=S 8779027 KAHFOVGPFDJSMS-WJDWOHSUSA-N 440.550 3.819 10 50 IHCA CCOc1cccc(N2C(=O)/C(=C/c3ccc(Br)cc3)C(=O)NC2=S)c1 1203536 HIPUDYGQZZZNGL-MHWRWJLKSA-N 431.311 3.679 10 50 IHCA COc1cc(/C=C2\C(=O)N(c3cccc(C(=O)O)c3)N=C2C)c(Br)cc1O 13914913 HCNABEKBXPUTBP-AUWJEWJLSA-N 431.242 3.668 10 50 IHCA COc1ccc2c(c1)C=C[C@@H]1[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3[C@H](C(=O)C(C)(C)C)N21 248254066 KCGUUCAKPQAXQF-KAOXLYBCSA-N 444.531 3.696 10 50 IHCA Cc1ccc(N2NC(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4O)o3)C2=O)cc1Cl 15658739 QKDGXEDWYMDKCD-YBEGLDIGSA-N 439.811 3.984 10 50 IHCA CCCCCOc1ccc(/C=C2/SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1 2208980 YXXCNNOVFOFECN-YHZJOHHESA-N 425.597 3.644 10 50 IHCA C[C@@]1(C2CCN(Cc3cc(Cl)ccc3O)CC2)NC(=O)N(Cc2ccsc2)C1=O 12100278 NOUOPLVNKAZHRZ-NRFANRHFSA-N 433.961 3.830 10 50 IHCA CCOc1cc(/C=C2/C(=N)N3N=C(CC)SC3=NC2=O)ccc1OC(=O)c1ccco1 15885144 BBRGERLOSKMTRU-CCPUYDQRSA-N 438.465 3.927 10 50 IHCA CCCCN1C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cc([N+](=O)[O-])ccc3O)N2C1=O 96179453 ARYCFAVIZVGUAH-WIYYLYMNSA-N 434.452 3.860 10 50 IHCA O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C\c1c[nH]c2ccccc12 1158627 ZYPHAZLVDBLXLV-NVNXTCNLSA-N 426.295 3.762 10 50 IHCA CCN1C(=O)/C(=C/c2c(N3C[C@@H](C)C[C@@H](C)C3)nc3c(C)cccn3c2=O)SC1=S 2374794 ORIQDPJFRPLPSA-UQROUUEPSA-N 442.610 3.706 10 50 IHCA CCCCN1C(=O)/C(=C/c2c(NCCCOCC)nc3ccccn3c2=O)SC1=S 8858349 JIXXRNQLHMTRKI-PEZBUJJGSA-N 446.598 3.534 10 50 IHCA CN(C)c1ccc(CN2CC(=O)N(Cc3cccnc3)C[C@H](OCc3ccccc3)C2)cc1 14746912 OOFSLTVRUCKIQJ-AREMUKBSSA-N 444.579 3.577 10 50 IHCA COCCN(Cc1c(O)cccc1OC)CC1CCN(Cc2ccccc2OC)CC1 15062647 OQVZENOZEKUDTH-UHFFFAOYSA-N 428.573 3.770 10 50 IHCA COc1ccc(N2CCN(C(=O)/C=C/c3ccc(OC)c(Br)c3)CC2)cc1 655739 SRZDFXCGGHNIDH-ONNFQVAWSA-N 431.330 3.828 10 50 IHCA COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)c1 15823054 FVXKEZZOPROEMR-PXLXIMEGSA-N 428.444 3.941 10 50 IHCA CCn1c2ccccc2c2cc(NC=C3C(=O)N([C@@H]4CCS(=O)(=O)C4)N=C3C)ccc21 2082943388 RJVDGUIVUNJRCZ-QGZVFWFLSA-N 436.537 3.515 10 50 IHCA CN(C)c1ccc([C@@H]2NN(Cc3ccccc3)[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]32)cc1 19171794 GMHYZXHTYPNJHQ-HJOGWXRNSA-N 432.568 3.500 10 50 IHCA CN1CCN(Cc2c(O)ccc3occ(C(=O)c4ccc(Br)cc4)c23)CC1 218527437 DYWYLHKVDJNDIH-UHFFFAOYSA-N 429.314 3.879 10 50 IHCA CCOc1ccc(N2C(=O)/C(=C/c3ccc(Br)cc3)C(=O)NC2=S)cc1 2878833 XQBSJKLIHZQSHG-LFIBNONCSA-N 431.311 3.679 10 50 IHCA Cc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3cccc(C(=O)O)c3)C2=O)cc1 13606953 WJWBVNIJPMKGJW-BOPFTXTBSA-N 426.519 3.923 10 50 IHCA CN(C)c1ccc([C@@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2ccccc2)cc1 18228583 PFRSABFPMWBXNL-SMIHKQSGSA-N 427.504 3.799 10 50 IHCA O=c1c(-c2ccccc2)coc2c(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)c(O)ccc12 20761095 AIDOZOLLMZNRMH-MJGOQNOKSA-N 440.499 3.947 10 50 IHCA biogenic CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cc(Br)ccc2O)NC(=S)N1 828824 MRKGCSJXAVRYAB-QGZVFWFLSA-N 432.343 3.895 10 50 IHCA O=C1[C@@H]2[C@H](c3ccc(F)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1C1CCCCC1 4199377 MLXQHVURHOIKLS-ACRUOGEOSA-N 447.462 3.649 10 50 IHCA Cc1ccccc1[C@@H]1OC2(C(=O)c3ccccc3C2=O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12 18249838 LLQLPNKAGQWUKU-FSSWDIPSSA-N 437.451 3.690 10 50 IHCA O=C1[C@@H]2[C@@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1C1CCCC1 22781352 NJOFSRUEBYWJCU-SLFFLAALSA-N 449.890 3.773 10 50 IHCA COc1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)c1C 4108453 VVOGXNSLSIHSDR-XSFVSMFZSA-N 429.476 3.765 10 50 IHCA Cc1ccc(CNc2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(C)C2=O)cc1 2390530 SNUWYRMKGZFKJW-BOPFTXTBSA-N 436.562 3.754 10 50 IHCA CC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N([C@H]4CCS(=O)(=O)C4)C3=O)o2)cc1 25581030 XBNNJHIIVOUCRE-ZNBBLSJYSA-N 447.559 3.538 10 50 IHCA CCOC(=O)COc1cccc(/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)c1 16264819 JOATYNFZPGZHCB-LICLKQGHSA-N 443.502 3.733 10 50 IHCA COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1Br 1213605 YSXBGXXMEIHQED-DHZHZOJOSA-N 435.661 3.778 10 50 IHCA CCN(CC)c1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)o1 13570805 UQDIXWYPJYASON-RVDMUPIBSA-N 448.342 3.720 10 50 IHCA CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)N(CCO)C(C)(C)C)C2=O)cc1 13774985 DOVFSVYFJHVNQQ-SDXDJHTJSA-N 434.627 3.850 10 50 IHCA COc1ccc(/C=C2/C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc1Br 9259340 MTXLAVWWKVHFMK-ZROIWOOFSA-N 445.338 3.906 10 50 IHCA CCOc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 2961169 CYQDVHLYZJRAGK-LDADJPATSA-N 449.575 3.992 10 50 IHCA Cc1cc(N2C(=O)NC(=O)/C(=C/c3ccc(O)c(Cl)c3)C2=O)ccc1Br 15822421 JFSLCULTHOGFDN-GHXNOFRVSA-N 435.661 3.783 10 50 IHCA Oc1ccc(Cl)cc1CN1CCC[C@H](Nc2cc(C(F)(F)F)nc3ncnn23)C1 301275926 KYHCQNAXBWVBMA-ZDUSSCGKSA-N 426.830 3.579 10 50 IHCA CC(=O)Nc1ccc(S(=O)(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C(C)(C)C)C3)cc1 3991751 VVFPRFCUISMCNX-CYBMUJFWSA-N 449.598 3.757 10 50 IHCA COc1cc(/C=C2/SC(=S)N(C)C2=O)c(Br)c(Br)c1O 15011495 YUAVVOGEODNZIG-QPJJXVBHSA-N 439.150 3.757 10 50 IHCA COc1ccc(-n2c(C)cc(C(=O)COC(=O)c3nnc(O)c4ccccc34)c2C)cc1 952961833 MAEWMVLCSGRTBO-UHFFFAOYSA-N 431.448 3.791 10 50 IHCA COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OC(=O)c1ccco1 13424012 KSCZKRMLVFGVTB-DZBQEORWSA-N 445.518 3.888 10 50 IHCA O=C1NC(=O)N(Cc2cccs2)C(=O)/C1=C\c1c[nH]c2ccc(Br)cc12 16193517 NWODJNUEGYODNT-NSIKDUERSA-N 430.283 3.654 10 50 IHCA Oc1ccc(Br)cc1CN1CCN(C2CCN(Cc3ccccc3)CC2)CC1 22170989 WLWSONOEFIDCBA-UHFFFAOYSA-N 444.417 3.937 10 50 IHCA Cc1cccc(N2C(=O)NC(=O)/C(=C/Nc3c(C)nn(Cc4ccccc4)c3C)C2=O)c1C 16193606 LSBRFWRIEBBFSL-MOSHPQCFSA-N 443.507 3.744 10 50 IHCA CCN1C(=O)C(=Cc2ccc(-c3cc(C(=O)O)ccc3Cl)o2)C(=O)N(CC)C1=S 4489076 LPDPLCVRYMDGAB-UHFFFAOYSA-N 432.885 3.677 10 50 IHCA O=C1N=C(N2CCCCC2)S/C1=C/c1ccccc1OS(=O)(=O)c1ccccc1 2312688 NVWWJUVPIJTAHD-XDJHFCHBSA-N 428.535 3.911 10 50 IHCA CCOc1cc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc(OCC)c1OCC 4450219 GUCYZYNSNGKSQH-UHFFFAOYSA-N 428.529 3.854 10 50 IHCA CCCCN1C(=O)/C(=C\c2c(NCCCOCC)nc3ccccn3c2=O)SC1=S 16247486 JIXXRNQLHMTRKI-JQIJEIRASA-N 446.598 3.534 10 50 IHCA COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1C 22215887 SDDOFGDPZBILAQ-XNTDXEJSSA-N 431.311 3.597 10 50 IHCA CCOc1ccc(S(=O)(=O)Nc2cc(SCC(=O)O)c(O)c3ccccc23)cc1 645680 SGGQBTHMXMJMPS-UHFFFAOYSA-N 433.507 3.922 10 50 IHCA COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 1189712 BYQZIGPBUYSORS-NTEUORMPSA-N 435.661 3.778 10 50 IHCA O=C(CCn1nc2ccccn2c1=O)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12 1875257334 FMGYBWOAFZRYRG-VWLOTQADSA-N 438.487 3.651 10 50 IHCA Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1cccnc1 13569466 ALKVRCKEITYWGW-VXLYETTFSA-N 436.924 3.974 10 50 IHCA Cc1ccccc1[C@@H]1OC2(C(=O)c3ccccc3C2=O)[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]12 96316615 GYDHLGWHEOWFJH-FKBYEOEOSA-N 443.499 3.818 10 50 IHCA COc1cc(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)cc(OC)c1OC 12504561 IVQFOPBPIIFIPF-PTNGSMBKSA-N 425.528 3.559 10 50 IHCA O=C(CN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1cccc(C(=O)O)c1 1186505 OFZQHXJUMSLIOY-DHDCSXOGSA-N 432.910 3.878 10 50 IHCA C[C@H]1CN(c2ccc(CNC(=O)[C@@H](C)n3ccc4ccccc4c3=O)cc2F)C[C@@H](C)O1 252536409 IMLNRSRKJZSHMC-FGTMMUONSA-N 437.515 3.632 10 50 IHCA CCCN1C(=O)/C(=C\c2c(N3CCCCC3)nc3c(C)cccn3c2=O)SC1=S 33329841 VEYTZQTXENTIMW-DTQAZKPQSA-N 428.583 3.604 10 50 IHCA COc1ccc2c(c1)c1c(n2CC(=O)N[C@@H](C)c2ccc3c(c2)CC(=O)N3C)CCCC1 1875320463 QHPWDEGAEPFKOS-INIZCTEOSA-N 431.536 3.925 10 50 IHCA O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(-c2ccccc2C(=O)O)o1 1220741 BNJSQIJWVJLKAV-BOPFTXTBSA-N 436.807 3.965 10 50 IHCA CC[C@@H](C)N1C(=O)/C(=C/c2c(N3CCCCC3)nc3c(C)cccn3c2=O)SC1=S 16713532 UIMIPKJGGPFPJH-WIZMWCRPSA-N 442.610 3.993 10 50 IHCA CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)Nc4cccnc4)c4ccccc34)[C@H]21 1775971151 GHVJWTSVYLBXDA-VWLOTQADSA-N 437.503 3.822 10 50 IHCA Cc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)cc1 14253378 IUTBNPVNYMGSTC-UHFFFAOYSA-N 438.477 3.875 10 50 IHCA COc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(Cl)cc3)C(=O)NC2=S)cc1 2978818 VEDZYRAAGAMWHG-CPNJWEJPSA-N 437.908 3.971 10 50 IHCA O=C1[C@H]2[C@H](C(=O)N1c1ccccc1F)C1(O[C@H]2c2ccccc2)C(=O)c2ccccc2C1=O 169680750 HBEGEVRYDQYKLS-HBMCJLEFSA-N 441.414 3.521 10 50 IHCA COc1ccc2c3c(n(-c4ccc(CC(=O)O)cc4)c(=O)c2c1OC)-c1ccccc1C3=O 824519405 FOJRQRVODBKMMP-UHFFFAOYSA-N 441.439 3.846 10 50 IHCA biogenic COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)Nc3c(OC)cccc32)S1 9233253 RVNWXANVPCSBKX-UHFFFAOYSA-N 437.564 3.975 10 50 IHCA COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OS(C)(=O)=O 3000592 ONNZIXNTPQGIKT-BOPFTXTBSA-N 435.548 3.748 10 50 IHCA O=C1/C(=C\NCCCn2ccnc2)C(c2ccccc2)=NN1c1nc2ccccc2s1 17920672 MWDUJURVFGJHOC-SDXDJHTJSA-N 428.521 3.808 10 50 IHCA CCc1ccc(N2NC(=O)/C(=C/c3ccc(OC(=O)c4ccco4)c(OC)c3)C2=O)cc1 16161654 NPLZBEUAFCZDEQ-AQTBWJFISA-N 432.432 3.531 10 50 IHCA O=C(CN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)Nc1cccnc1 8700869 CSODQBPDJVOVMB-ZSOIEALJSA-N 434.340 3.684 10 50 IHCA O=C1/C(=C/c2cccc(Oc3ccccc3)c2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 2361578 NCXYXUNCBNMNPZ-PWDRBQJJSA-N 431.560 3.867 10 50 IHCA CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)Nc4cccnc4)c4ccccc34)[C@@H]21 1772500488 GHVJWTSVYLBXDA-RUZDIDTESA-N 437.503 3.822 10 50 IHCA O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)ccc1O 978867 SDBVDVSOAGADHQ-MDWZMJQESA-N 437.702 3.639 10 50 IHCA O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cnc(-c2ccccc2)nc1 1181120 BWXTXLMNNFHELO-LICLKQGHSA-N 449.264 3.573 10 50 IHCA CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)O)ccc3C)o2)C1=O 8395966 NZKMTESAPSYWSY-VAKHEIKFSA-N 429.450 3.941 10 50 IHCA CN(C)c1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 226970051 SIFVCQCQAKWGQN-YTFSRNRJSA-N 431.467 3.943 10 50 IHCA Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)NCCc1ccc(N)cc1 170676936 KGCQWKVVLSFBLZ-UHFFFAOYSA-N 427.346 3.865 10 50 IHCA COc1cc(/C=C2\NC(=S)N(C)C2=O)cc(Br)c1OCc1ccccc1 9295842 BUBYRURKUNOXOP-DHDCSXOGSA-N 433.327 3.724 10 50 IHCA O=C1/C(=C/NCCO)C(CSc2ccc(Cl)cc2)=NN1c1nc2ccccc2s1 100466488 OKMRCZKCXTYBOU-RVDMUPIBSA-N 444.969 3.910 10 50 IHCA O=C(CN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1ccc([N+](=O)[O-])cc1O 15799764 XBNBVTBUUKASMK-VIZOYTHASA-N 449.897 3.794 10 50 IHCA O=C1/C(=C\c2cccc(Oc3ccccc3)c2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 2361572 NCXYXUNCBNMNPZ-BRFSQIRFSA-N 431.560 3.867 10 50 IHCA CC1=C(C(=O)Nc2ccc(C)cc2)[C@@H](c2cc(Br)ccc2O)NC(=S)N1 8397350 CNRFYIQFTTZXIG-QGZVFWFLSA-N 432.343 3.895 10 50 IHCA Cc1cc(N2Cc3ccccc3C2)ccc1/C=C1\C(=O)NC(=O)N(Cc2ccco2)C1=O 15799403 DBDLESGNQDBTMJ-WSDLNYQXSA-N 427.460 3.770 10 50 IHCA CCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(C)oc2c(CN2CCOCC2)c1O 19720365 WCLDTQVHHGOWAP-UHFFFAOYSA-N 433.508 3.755 10 50 IHCA biogenic O=C(CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)N1CCSCC1 888104758 LMIFUFMOOWPUHG-UHFFFAOYSA-N 444.560 3.540 10 50 IHCA COc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)c3ccccc3)c(O)c(C)c2C)cc1 3620772 OWLFUCOEVUSDEJ-UHFFFAOYSA-N 447.534 3.651 10 50 IHCA Cc1cc(C(=O)NC[C@H]2CCC3(CCN(Cc4c(O)ccc5ccccc45)CC3)O2)n(C)n1 11783506 PKLVBDDWSSHIHO-HXUWFJFHSA-N 448.567 3.531 10 50 IHCA COc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)ccc1OS(C)(=O)=O 16193104 JISDSQSYCDRDSM-YBEGLDIGSA-N 439.511 3.579 10 50 IHCA O=C(O)COc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1 16226279 MIHSRGPYRRFFSS-UHFFFAOYSA-N 442.427 3.733 10 50 IHCA COc1ccc(N2CCN([C@@H]3CCCN(Cc4nc5c(s4)CCCC5)C3)CC2)cc1 20351283 CFLQBDXNIUFCFA-HXUWFJFHSA-N 426.630 3.817 10 50 IHCA COc1ccc(/C=C2\SC(=S)NC2=O)cc1OS(=O)(=O)c1ccc(Cl)cc1 16225621 XOMSLXCPMVIGKY-DHDCSXOGSA-N 441.939 3.605 10 50 IHCA O=c1c(-c2ccccc2)coc2c(CN3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)c(O)ccc12 217537358 AIDOZOLLMZNRMH-PKOBYXMFSA-N 440.499 3.947 10 50 IHCA COc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1C(=O)O 15223085 SQVFYQJRXYKREW-UHFFFAOYSA-N 442.427 3.977 10 50 IHCA Cc1ccc(CN2C(=O)/C(=C3\SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)cc1 966918 PEQZLOAMOFDMPJ-HNENSFHCSA-N 438.530 3.588 10 50 IHCA O=C(NN1C(=O)/C(=C\c2ccc(O)c([N+](=O)[O-])c2)SC1=S)c1ccccc1Cl 13532821 AVKVIDQMZOSMPL-RIYZIHGNSA-N 435.870 3.500 10 50 IHCA COc1cc(/C=C2/SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)ccc1O 12371296 HAIPLSYQUCSYOS-XDHOZWIPSA-N 431.535 3.862 10 50 IHCA COC(=O)c1ccc(N2C(=O)/C(=C/c3cc(OC)c(O)c([N+](=O)[O-])c3)SC2=S)cc1 36160078 WMNSTOBMTAINDE-DHDCSXOGSA-N 446.462 3.501 10 50 IHCA O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccc(OCc2cccc(F)c2)cc1 1175547 ZERXGCGSBBSMIM-FYJGNVAPSA-N 432.407 3.777 10 50 IHCA O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccccc1OCc1ccccc1F 15837401 JKOBDRMKMTVJRA-CPNJWEJPSA-N 432.407 3.777 10 50 IHCA CCN1C(=O)/C(=C2\SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)c2ccccc21 1090106 GUXRLJXBJLKHIP-NXVVXOECSA-N 443.937 3.623 10 50 IHCA c1ccc(N2CCN([C@H]3CCCN(C4CCN(c5ccc6c(c5)OCO6)CC4)C3)CC2)cc1 19958433 PDMCNMZZOPDZBO-VWLOTQADSA-N 448.611 3.671 10 50 IHCA Cc1nn(Cc2ccccc2)c(C)c1N/C=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 3463436 NOGDLBQBZWZIAJ-UNOMPAQXSA-N 449.898 3.780 10 50 IHCA CCOc1cccc(CN2CCC3(CC2)C[C@@H]3C(=O)NCCc2cccc(OC)c2)c1O 11787530 PYMPHJVJYGQNPM-JOCHJYFZSA-N 438.568 3.761 10 50 IHCA CCN(CC)CCNc1ccc(NCCN(CC)CC)c2c1C(=O)c1ccccc1C2=O 5919442 SKFYKJLSKFOQLM-UHFFFAOYSA-N 436.600 3.969 10 50 IHCA COc1cc(/C=C2/C(=O)N(c3ccc(C)c(C)c3)C(=O)N=C2O)c([N+](=O)[O-])cc1OC 1172758 KFGJLRSAAMBRCS-OVCLIPMQSA-N 425.397 3.736 10 50 IHCA CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccnc4)c3C)C(=O)NC2=S)cc1 1187116 YILSLLRZHBFLIY-FYJGNVAPSA-N 446.532 3.719 10 50 IHCA CCOC(=O)COc1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)cc1 2829226 LQPOMBBCSJCJOU-LICLKQGHSA-N 443.502 3.733 10 50 IHCA COc1ccc(CNC(=O)CC[C@H]2CCCN(Cc3c(O)cccc3OC)C2)c(OC)c1 12300984 XGTHYVFIRAUWLX-GOSISDBHSA-N 442.556 3.727 10 50 IHCA COc1ccc(N2CCN(C(=O)c3cc4nc(C(F)F)cc(C(F)F)n4n3)CC2)cc1 653162 COYVQULVLRXUJH-UHFFFAOYSA-N 437.397 3.576 10 50 IHCA COc1ccc(N2CCN(C(=O)COc3cc(C)c(Br)c(C)c3)CC2)cc1 2398514 TZHYVKVOTCBXAJ-UHFFFAOYSA-N 433.346 3.802 10 50 IHCA COc1cc(/C=C2\SC(=S)NC2=O)cc(Cl)c1OS(=O)(=O)c1ccccc1 15836545 RNOFNOIDDDANBJ-ZROIWOOFSA-N 441.939 3.605 10 50 IHCA O=C(CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)Nc1cc([N+](=O)[O-])ccc1O 35984019 OMSAUNOCRSMHCC-SXGWCWSVSA-N 447.469 3.670 10 50 IHCA O=C1[C@@H]2[C@@H](c3ccc(F)cc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C(=O)N1C1CCCCC1 101106402 MLXQHVURHOIKLS-PWRODBHTSA-N 447.462 3.649 10 50 IHCA O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc(NCC2CC2)nc1 170617918 ZTCFAEKIESULIA-UHFFFAOYSA-N 434.462 3.689 10 50 IHCA O=C1[C@@H]2[C@@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C(=O)N1C1CCCC1 253570268 NJOFSRUEBYWJCU-XUVXKRRUSA-N 449.890 3.773 10 50 IHCA Cc1cccc(NC(=O)Cn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)n1 888104040 WPMOHZFALYABLS-UHFFFAOYSA-N 435.487 3.916 10 50 IHCA CCN1C(=O)/C(=C2/C(=O)N(CC(=O)Nc3ccccc3C)c3ccccc32)SC1=S 16805523 BSCISNMRURPAFA-HNENSFHCSA-N 437.546 3.572 10 50 IHCA COc1ccc2c(c1)C=C[C@@H]1[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@@H]3[C@@H](C(=O)C(C)(C)C)N21 229631585 KTWZKNQVFJGNCP-MLNNCEHLSA-N 436.552 3.828 10 50 IHCA CC(=O)NC1=NC(=O)/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)S1 1150192 BUPUQQVIQGUMIV-MFOYZWKCSA-N 431.857 3.934 10 50 IHCA CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCc1cccc2ccccc12 2915634 HALPBPDIFMFHSF-UHFFFAOYSA-N 432.501 3.732 10 50 IHCA CN(C)c1ccc(CNc2nc(-c3ccccc3)nn2S(=O)(=O)c2ccccc2)cc1 16425297 PBRFETBIOJUDHG-UHFFFAOYSA-N 433.537 3.860 10 50 IHCA Cc1ccc2oc(C(=O)N(Cc3ccc(N(C)C)cc3)[C@H]3CCS(=O)(=O)C3)c(C)c2c1 15919338 QXIOYAWISXWYSS-FQEVSTJZSA-N 440.565 3.945 10 50 IHCA Cc1ccc(C)c(OCCn2cc(/C=C3\C(=O)NC(=S)N(C)C3=O)c3ccccc32)c1 16266058 IUMIWIYBFVUENL-CPNJWEJPSA-N 433.533 3.594 10 50 IHCA COc1ccc(N2CCN([C@H]3CCCN(Cc4cccn4-c4nccs4)C3)CC2)cc1 23374918 BOXCMVJKUWEXNH-NRFANRHFSA-N 437.613 3.729 10 50 IHCA COc1ccc(Cl)cc1NC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(N(C)C)cc1 867170 LLVVXLGBMWAPOM-LJQANCHMSA-N 430.961 3.846 10 50 IHCA CCOc1ccc(/C=C2/C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)N=C2O)cc1OCC 15799031 MNKRMYCFCHCGNT-MHWRWJLKSA-N 425.397 3.899 10 50 IHCA CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)NC4CCCC4)c4ccccc34)[C@@H]21 1772500437 CYFZPKVFAUFSRG-RUZDIDTESA-N 428.536 3.847 10 50 IHCA CCOc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)ccc1OC(=O)c1cccs1 2988179 ICVSNZOVFKOQLG-OQLLNIDSSA-N 449.531 3.652 10 50 IHCA CCOc1cc(/C=C2\C(=O)NN(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OC(C)=O 16675691 LZMDMPRSVNHCDP-RIYZIHGNSA-N 435.263 3.779 10 50 IHCA COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccccc1F 1163839 JLGXUSJKKAVDML-JXAWBTAJSA-N 425.456 3.758 10 50 IHCA O=C1/C(=C/c2ccc(I)o2)SC(=S)N1Cc1cccnc1 1167763 HLTXHMXWZIASCY-WDZFZDKYSA-N 428.276 3.681 10 50 IHCA O=C1NC(=S)N=C(O)/C1=C\c1ccc(-c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)o1 16225506 IPVQRNPYMKBQSN-UHFFFAOYSA-N 426.454 3.600 10 50 IHCA COc1ccc(N2CCN([C@@H]3CCCN(Cc4cccn4-c4cccnc4)C3)CC2)cc1 96449028 JVJLUKSUWOGKJJ-XMMPIXPASA-N 431.584 3.668 10 50 IHCA CCN1C(=O)/C(=C/c2c(N3C[C@@H](C)C[C@H](C)C3)nc3c(C)cccn3c2=O)SC1=S 26458748 ORIQDPJFRPLPSA-VXSPAKRUSA-N 442.610 3.706 10 50 IHCA COc1cc(/C=C2/C(=O)N(c3ccc(Br)cc3)N=C2C)cc([N+](=O)[O-])c1O 100540952 XAXYPCRUXJXEOY-VGOFMYFVSA-N 432.230 3.878 10 50 IHCA CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C(=O)O)c2C(=O)OC)C1 239038506 DIMFTUHFTPGNFD-LBTDBDNISA-N 449.569 3.893 10 50 IHCA Cc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3cc(F)ccc3F)cc2)cc1 14253376 ABENHAQLJMKKET-UHFFFAOYSA-N 438.477 3.875 10 50 IHCA C[C@H]1CN(c2ccc(CNC(=O)NCCCOCCc3ccccc3)cc2F)C[C@H](C)O1 918096200 UNHDHMCRDNVUFV-PMACEKPBSA-N 443.563 3.888 10 50 IHCA CCOC(=O)CCN1/C(=C\C=C2/SC(=S)N(C)C2=O)Sc2ccc(OC)cc21 1193894 PMEWDMHZBNQXLR-BSHIDLADSA-N 436.580 3.776 10 50 IHCA O=C(NN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)c1ccccc1O 1230863 ULQPRWZBFWFYRN-ZROIWOOFSA-N 435.324 3.701 10 50 IHCA CC(C)CN1C(=O)/C(=C/c2c(N3CCC(C)CC3)nc3ccccn3c2=O)SC1=S 1464535 QJEKGKNKZHOAOL-ATVHPVEESA-N 442.610 3.788 10 50 IHCA CN1CCN(Cc2c(O)ccc3occ(C(=O)c4ccc(Br)s4)c23)CC1 253412158 QAZCQLIESBNKLY-UHFFFAOYSA-N 435.343 3.941 10 50 IHCA CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)O)ccc3C)o2)C1=O 8395965 NZKMTESAPSYWSY-YXHQGMJNSA-N 429.450 3.941 10 50 IHCA COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccccn3)C2=O)cc1OC 13497450 FHUOGXGTFVIQCK-LGMDPLHJSA-N 443.550 3.719 10 50 IHCA COc1ccc(S(=O)(=O)c2c(O)cc(C)c(NS(=O)(=O)c3ccccc3)c2C)cc1 3620783 LSEWHIQWSZLEMV-UHFFFAOYSA-N 447.534 3.651 10 50 IHCA COc1ccc(N2CCN([C@H]3CCCN(C(=O)c4ccc(SC)cc4)C3)CC2)cc1 15064838 NIPMPBKVMMXEKS-NRFANRHFSA-N 425.598 3.844 10 50 IHCA O=C(NCc1ccc(N2CCOCC2)cc1)C1CCN(Cc2ccccc2Cl)CC1 44910865 RLGBIBNKQSUTBW-UHFFFAOYSA-N 427.976 3.705 10 50 IHCA Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4C(=O)O)o3)C(=O)NC2=S)cc1 2364505 XDDKTWMJPWXZER-LDADJPATSA-N 432.457 3.785 10 50 IHCA O=C1/C(=C/c2ccc(OCc3ccccc3)cc2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 1139079 ATJNUJYULAQEOK-UEXNTNOUSA-N 445.587 3.654 10 50 IHCA Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3)[C@@H]2c2ccc(N(C)C)cc2)cc1 10078483 BKWMDOOEJAGBPS-DEOSSOPVSA-N 449.576 3.907 10 50 IHCA CCc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3ccc(C(=O)O)cc3)C2=O)cc1 22216181 DURHQRYYHSWCIG-GZTJUZNOSA-N 426.519 3.787 10 50 IHCA CCOc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccnc4)c3C)C(=O)NC2=S)c1 8454161 WMZMAWHNCJRGFQ-CIAFOILYSA-N 446.532 3.719 10 50 IHCA CN1C(=O)/C(=C2/C(=O)N(CC(=O)Nc3ccccc3Cl)c3ccccc32)SC1=S 16730744 WIWYHHJWUMZOIT-MSUUIHNZSA-N 443.937 3.527 10 50 IHCA COc1cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)ccc1OCc1ccccc1 967015 ZPPKKFFFNYMUPD-PDGQHHTCSA-N 429.519 3.950 10 50 IHCA CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCc1c(Cl)cccc1Cl 2774566 LTDJMUWIZRBDNP-UHFFFAOYSA-N 435.263 3.721 10 50 IHCA COc1ccc(CN[C@@H](C)c2cnn(-c3ccc(F)cc3F)c2C)cc1Cn1cncn1 14970017 NZUDVECNDXWOPM-HNNXBMFYSA-N 438.482 3.958 10 50 IHCA O=C1N=C(O)/C(=C\c2ccc(O)c([N+](=O)[O-])c2)C(=O)N1c1ccc(Br)cc1 15799898 QTYWZYNKKDRRLE-KPKJPENVSA-N 432.186 3.570 10 50 IHCA CCOc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)c(F)c3)C(=O)NC2=S)cc1 1131623 IZHGERQOEQNNMD-QGOAFFKASA-N 439.512 3.656 10 50 IHCA COc1ccc2c3c(n(-c4ccc(O)c(C(=O)O)c4)c(=O)c2c1OC)-c1ccccc1C3=O 824764628 UGSXTCFGPKRVGC-UHFFFAOYSA-N 443.411 3.623 10 50 IHCA biogenic COc1cc(C=C2C(=O)OC(C)(C)OC2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 13153518 HRHRJOXNLMTMCR-UHFFFAOYSA-N 445.855 3.586 10 50 IHCA Cc1cc(NS(=O)(=O)c2ccc(Nc3nc(-c4sc(N)nc4C)cs3)cc2)no1 1895811 OMTLPFRFCCMSFI-UHFFFAOYSA-N 448.555 3.998 10 50 IHCA aggregator COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C/NC[C@H]2CCCO2)cc1 100795458 OVEDIIMBFCRFKN-SOGDLCAJSA-N 434.521 3.708 10 50 IHCA O=C(COc1ccc(F)cc1F)NC[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 1875255084 PGNGSLSVLBPRRP-ZDUSSCGKSA-N 430.373 3.885 10 50 IHCA COc1ccc(S(=O)(=O)Nc2cc(C)c(O)c(S(=O)(=O)c3ccccc3)c2C)cc1 1050213 CUMDRNRQHSWKIE-UHFFFAOYSA-N 447.534 3.651 10 50 IHCA O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C\c1cc2ccccc2[nH]1 1156158 QUIABJMHAMOHIV-GDNBJRDFSA-N 426.295 3.762 10 50 IHCA Cc1cc(/C=C2\C(=O)N=C(O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccccc1 2302935 MPPUTMAGFIIHRN-YBFXNURJSA-N 429.432 3.694 10 50 IHCA O=C1C[C@H](N2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)C(=O)N1c1ccccc1 1131364 CTFQRIJYJLCGSB-HEUOVEHFSA-N 428.922 3.873 10 50 IHCA CC(=O)c1cccc(-c2ccc(/C=C3\C(=O)N(c4ccc(S(N)(=O)=O)cc4)N=C3C)o2)c1 9354884 GPIZUVSFEOBKQM-BKUYFWCQSA-N 449.488 3.603 10 50 IHCA COc1ccc(-c2ccc(/C=C3/C(=O)NC(=O)N(c4ccccc4)C3=O)o2)c([N+](=O)[O-])c1 1203083 ZUGPTMVXWQXDAH-BOPFTXTBSA-N 433.376 3.530 10 50 IHCA CC(C)N1C(=O)/C(=C/c2c(NCc3ccccc3)nc3ccccn3c2=O)SC1=S 26965192 YXDNVDIMYWNSKR-ATVHPVEESA-N 436.562 3.916 10 50 IHCA CC[C@H](C)N1C(=O)/C(=C/c2c(N3CCCC3)nc3c(C)cccn3c2=O)SC1=S 16713637 MQMOGLZTGIZTDG-QXPQOBGOSA-N 428.583 3.603 10 50 IHCA COc1cccc(O)c1CN(CCN(C)C)C[C@@H]1CCCN(Cc2ccccc2F)C1 22919753 FVMHZWNHELNHKK-HXUWFJFHSA-N 429.580 3.816 10 50 IHCA Cc1cc(/C=C2\C(=O)N=C(O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccc(F)cc1 13786238 WMWDJEYZMBZGDE-VXLYETTFSA-N 447.422 3.833 10 50 IHCA CCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)C(C(=O)OC)=C2C)cc1 1162859 AFRSUNCDCKTZHW-UYRXBGFRSA-N 436.420 3.649 10 50 IHCA COc1ccc2c(c1)C=C[C@@H]1[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3[C@@H](C(=O)C(C)(C)C)N21 248254062 KCGUUCAKPQAXQF-ACESQOTJSA-N 444.531 3.696 10 50 IHCA CN1C(=O)N(CCc2ccccc2)C(=O)C12CCN(Cc1ccc(N3CCCC3)cc1)CC2 14746263 DUPAIJONMUOHRY-UHFFFAOYSA-N 446.595 3.758 10 50 IHCA CCc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3cccnc3)c2C)C(=O)NC1=S 1204404 RVTVQLLZGCIFNC-DEDYPNTBSA-N 430.533 3.883 10 50 IHCA COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1OC 2915500 HHQNBQPDDXXVLO-KPKJPENVSA-N 437.304 3.842 10 50 IHCA CCOC(=O)COc1c(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cccc1OC 16267758 OVQXEALZXDQHAR-YBEGLDIGSA-N 433.507 3.632 10 50 IHCA Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OC(=O)c4cccs4)cc3)C2=O)cc1 8829808 DONUNJOIFXVPPU-AQTBWJFISA-N 432.457 3.942 10 50 IHCA N=C1/C(=C/c2cc(Br)ccc2O)C(=O)N=C2SC(c3ccccc3)=NN12 15800397 KIHNXTRQPVGSBO-HJDDMPKESA-N 427.283 3.822 10 50 IHCA CCCC(=O)N[C@H](c1ccc(O)c(OCC)c1)c1cc([N+](=O)[O-])c2cccnc2c1O 1156414 CYRJRORWILRHNR-HXUWFJFHSA-N 425.441 3.959 10 50 IHCA COc1cc(/C=C2/SC(=S)N(CCCCCC(=O)O)C2=O)cc(OC)c1OC 1916890 IVQFOPBPIIFIPF-RVDMUPIBSA-N 425.528 3.559 10 50 IHCA CN(C)c1ccc(/C=C/c2nc3ccc(I)cc3c(=O)n2C)cc1 9008951 FOVHVAOCRAJYOZ-IZZDOVSWSA-N 431.277 3.775 10 50 IHCA COc1c(Cl)cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1Cl 1199186 WTIZLRFDGSORGI-WUXMJOGZSA-N 425.268 3.972 10 50 IHCA CN(C)CCOC(=O)CCN1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S 1800617 FTSWRDOYDCGQTR-UVTDQMKNSA-N 433.382 3.690 10 50 IHCA COc1ccc(CN2CCC[C@@H](CCC(=O)NCc3ccc(OC)cc3OC)C2)c(O)c1 12597600 JSSPJPOBNFNROL-SFHVURJKSA-N 442.556 3.727 10 50 IHCA O=C1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1cnc(-c2ccccc2)nc1 2856613 GZUGTPBRWRNASE-RQZCQDPDSA-N 438.365 3.829 10 50 IHCA CCCCC1(C)OC(=O)C(=Cc2ccc(OC)c(I)c2)C(=O)O1 2970530 AIAHMLRLAOIZFB-UHFFFAOYSA-N 430.238 3.690 10 50 IHCA COc1ccc(CNC(=O)CC[C@H]2CCCN(Cc3cccc(OC)c3O)C2)c(OC)c1 12464065 YHVOZPGTDJZOAK-GOSISDBHSA-N 442.556 3.727 10 50 IHCA COc1ccccc1N1C(=O)[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2ccc(N(C)C)cc2)C1=O 136172864 UUBLHKKQSQBZJU-KMDXXIMOSA-N 443.503 3.812 10 50 IHCA O=C1/C(=C/c2ccc(-c3cccc(Cl)c3)o2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 13591050 RCIMVVVNOLAAOT-WPBJZHHJSA-N 439.967 3.988 10 50 IHCA CCN(CC)c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(O)c1 16676205 BYQBLKLIKNFVQQ-GZTJUZNOSA-N 429.929 3.723 10 50 IHCA CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C\c1ccccc1OCc1ccccc1 22146354 MCUGMOINDQVEKH-JCMHNJIXSA-N 447.516 3.719 10 50 IHCA CN1C(=O)/C(=C2/C(=O)N(CC(=O)Nc3ccc(Cl)cc3)c3ccccc32)SC1=S 1899881 UEJMOOHCKKNKLO-MSUUIHNZSA-N 443.937 3.527 10 50 IHCA COc1ccc2c3c(n(-c4cccc(C(=O)O)c4)c(=O)c2c1OC)-c1ccccc1C3=O 824764681 ZPZJNNDXHKRXJA-UHFFFAOYSA-N 427.412 3.918 10 50 IHCA biogenic CC(C)Oc1ccc(Br)cc1/C=C1/SC(=S)N(CCC(=O)O)C1=O 2827260 IXZWNKOMWJXFIV-MDWZMJQESA-N 430.345 3.912 10 50 IHCA CN1CCN(c2ccc(CNC(=O)C3CCN(Cc4ccc(Cl)cc4)CC3)cc2)CC1 67604840 FQFGBQSXXPNXRP-UHFFFAOYSA-N 441.019 3.620 10 50 IHCA COc1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)cc1 1130471 CRNGDGSPXAAVIE-UHFFFAOYSA-N 434.867 3.878 10 50 IHCA O=C1N=C(O)/C(=C\c2ccc(O)c(Br)c2)C(=O)N1c1cccc([N+](=O)[O-])c1 1175722 RYTXVGMVQZQKPF-WUXMJOGZSA-N 432.186 3.570 10 50 IHCA Cc1ccccc1NC(=O)CCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 1237742 FMJKZNWJFBQUIZ-WQRHYEAKSA-N 426.519 3.954 10 50 IHCA CCCN1C(=O)/C(=C\c2c(N3CCC(C)CC3)nc3ccc(C)cn3c2=O)SC1=S 33334784 ACENZBYPRKPCPK-SFQUDFHCSA-N 442.610 3.850 10 50 IHCA O=C1[C@@H]2[C@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1C1CCCCC1 17994921 CEOFLJUWINRSDL-ACRUOGEOSA-N 429.472 3.510 10 50 IHCA O=C(CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)N1CCCCCC1 1167206 SBSJKIUGFLMDLP-AQTBWJFISA-N 432.567 3.799 10 50 IHCA CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(N(C)C)c(Br)c2)C1=O 8396011 PBHGTRGHOYQHND-RSYJBZMQSA-N 427.320 3.503 10 50 IHCA CSc1nnc2c(n1)O[C@H](c1ccc(O)c(O)c1)Nc1ccc(Br)cc1-2 2978177 HBXRCTRSVQNEOL-OAHLLOKOSA-N 433.287 3.937 10 50 IHCA Cc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc4c(c3)OCO4)C2=O)cc1 13800393 NPVGCQCYBCAXJL-ZDLGFXPLSA-N 426.519 3.954 10 50 IHCA CCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(C)oc2c(CN2CCN(C)CC2)c1O 19833661 OQWZWMPTTGJXDQ-UHFFFAOYSA-N 446.551 3.671 10 50 IHCA biogenic O=C(O)CN1C(=O)/C(=C2\SC(Nc3ccccc3C(F)(F)F)=NC2=O)c2ccccc21 1476498 ZHCTYQZNENNFEW-NXVVXOECSA-N 447.394 3.589 10 50 IHCA COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3nccs3)C2=O)cc1 1746233 NFWVPRRYFFDYKK-KAMYIIQDSA-N 447.563 3.550 10 50 IHCA COc1ccc(O)c(CN2CCC[C@@H](CCC(=O)NCc3ccc(OC)cc3OC)C2)c1 14966908 IRXQGEBQBZSAKO-SFHVURJKSA-N 442.556 3.727 10 50 IHCA O=C(CN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)N1CCCCC1 1217515 ZMHURMKAZFXCEP-UVTDQMKNSA-N 425.373 3.663 10 50 IHCA CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1O 22033963 HINJHGZNUFBANV-KPKJPENVSA-N 437.304 3.929 10 50 IHCA CC1=C(C(=O)Nc2cccc(C)c2)[C@H](c2cc(Br)ccc2O)NC(=S)N1 1187690 DJCQMPYLXSMWFQ-KRWDZBQOSA-N 432.343 3.895 10 50 IHCA CCN(CC)c1ccc(/C=C\c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)c(OCc2ccccc2)c1 16361940 MJRIRXUNOLFJDQ-QBFSEMIESA-N 436.468 3.979 10 50 IHCA CCOC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)C1=O 6378719 XTGFJFFDDPHDJB-XDHOZWIPSA-N 427.526 3.760 10 50 IHCA COC(=O)c1c(NC(=O)C[C@@H]2Nc3cc(C)c(C)cc3NC2=O)sc2c1CCCC2 780860 MMCYDJBOWKVCLZ-INIZCTEOSA-N 427.526 3.792 10 50 IHCA CC[C@H](C)N1C(=O)/C(=C/c2c(NCc3ccco3)nc3ccccn3c2=O)SC1=S 16728909 STYQLCBBXVVHAK-RERGGYADSA-N 440.550 3.899 10 50 IHCA O=C(NN1C(=O)/C(=C/c2cccc(O)c2)SC1=S)c1ccc(Br)cc1 1196526 RYSFRWTVHUMZAQ-ZROIWOOFSA-N 435.324 3.701 10 50 IHCA CCCCN1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3cc([N+](=O)[O-])ccc3O)N2C1=O 96179450 ARYCFAVIZVGUAH-RXVVDRJESA-N 434.452 3.860 10 50 IHCA O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(-c2cc([N+](=O)[O-])ccc2O)o1 15658588 JZZBJTLBEKDVTL-YBEGLDIGSA-N 425.784 3.675 10 50 IHCA COc1ccc(N2CCN([C@H]3CCCN(Cc4nc5c(s4)CCCC5)C3)CC2)cc1 20351286 CFLQBDXNIUFCFA-FQEVSTJZSA-N 426.630 3.817 10 50 IHCA CCN(CC)CCNc1cccc2c1C(=O)c1cccc(NCCN(CC)CC)c1C2=O 27524271 IKPZNOSJYRZOCZ-UHFFFAOYSA-N 436.600 3.969 10 50 IHCA CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)NCC4CC4)c4ccccc34)[C@H]21 1775972092 VJHIQCWNSAUNNM-VWLOTQADSA-N 428.536 3.705 10 50 IHCA COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)c(C)c1 2920215 XHNKCFUYMWLRBF-MHWRWJLKSA-N 445.338 3.906 10 50 IHCA Cc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccncc4)c3C)C(=O)NC2=S)c1C 8400677 MATWTPZQKPKOEF-DEDYPNTBSA-N 430.533 3.937 10 50 IHCA Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(SCC(=O)O)c(O)c2ccccc12 8859957 ABFJZAIMAMBGGU-UHFFFAOYSA-N 448.478 3.740 10 50 IHCA O=C1[C@@H]2[C@@H](c3cccc(F)c3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1C1CCCCC1 13476590 SODOYIODHLUREF-PCCBWWKXSA-N 447.462 3.649 10 50 IHCA Cc1ccccc1[C@@H]1OC2(C(=O)c3ccccc3C2=O)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 101099876 LLQLPNKAGQWUKU-VSKRKVRLSA-N 437.451 3.690 10 50 IHCA COc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(N(C)C)cc4)[C@H]3C2=O)cc1 245241718 NQUPGJZOCGMEGD-WXFUMESZSA-N 443.503 3.812 10 50 IHCA O=C1[C@@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1C1CCCCC1 8398530 CEOFLJUWINRSDL-PCCBWWKXSA-N 429.472 3.510 10 50 IHCA NC(=O)CN(Cc1ccccc1)c1cccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)c1 225695267 RUBQKUJZYGBHMA-UHFFFAOYSA-N 447.919 3.772 10 50 IHCA C[C@@H](NC(=O)c1ccc(-c2ccccc2)nc1O)c1ccc(N2CCN(C)CC2)c(F)c1 2325719277 KMFHXUPZYSYVFK-QGZVFWFLSA-N 434.515 3.836 10 50 IHCA COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cc(C)on3)C2=O)cc1OC 2986294 JYDHQNFGZOIISP-WJDWOHSUSA-N 447.538 3.620 10 50 IHCA COc1cccc(CN2CCC(Oc3ccc(C(=O)NCc4ccccn4)cc3)CC2)c1O 12447921 FVDCLGZDXWDIKB-UHFFFAOYSA-N 447.535 3.769 10 50 IHCA CCOc1ccc(N2C(=O)N=C(O)/C(=C\c3cc(OC)c(OC)cc3OC)C2=O)cc1 1197114 ZOFBXDYVKLJDNS-MHWRWJLKSA-N 426.425 3.618 10 50 IHCA CCOc1cccc(CN2CCC[C@H](N(C)CCc3ccc(OC)c(OC)c3)C2)c1O 19228396 LXBWSJQTSGQHJU-NRFANRHFSA-N 428.573 3.947 10 50 IHCA COC(=O)c1cc(-c2ccc(/C=C3\SC(=S)N(CC(=O)O)C3=O)o2)ccc1Cl 207098561 PQJFWIMRTKDZFC-AUWJEWJLSA-N 437.882 3.672 10 50 IHCA COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCCSc1cccc2ccccc12 2997347 DTKKLPJBSARZHG-UHFFFAOYSA-N 448.500 3.769 10 50 IHCA CC[C@H](C)N1C(=O)/C(=C\c2c(N3CCCCC3)nc3ccccn3c2=O)SC1=S 12614464 ZIVQSYOJVLDBRW-BXWAGETQSA-N 428.583 3.685 10 50 IHCA COc1cc(/C=C2/C(=O)NN(c3cccc(F)c3)C2=O)ccc1OC(=O)c1cccs1 16276053 XPXMNSZEDYBTMT-YBEGLDIGSA-N 438.436 3.576 10 50 IHCA O=C1[C@@H]2[C@H](c3cccc(F)c3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1C1CCCCC1 100368499 SODOYIODHLUREF-ACRUOGEOSA-N 447.462 3.649 10 50 IHCA COc1cc(/C=C2\SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)ccc1O 1087692 HAIPLSYQUCSYOS-UNOMPAQXSA-N 431.535 3.862 10 50 IHCA CCCN1C(=O)/C(=C/c2c(NCc3ccccc3)nc3ccccn3c2=O)SC1=S 1308607 SCHRCKXANGZOOD-LGMDPLHJSA-N 436.562 3.918 10 50 IHCA Cc1ccccc1[C@@H]1OC2(C(=O)c3ccccc3C2=O)[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]12 13303241 GYDHLGWHEOWFJH-FSSWDIPSSA-N 443.499 3.818 10 50 IHCA COc1ccccc1OCCCn1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c2ccccc21 2993657 KUAQIEBQPFFQJK-UHFFFAOYSA-N 447.491 3.553 10 50 IHCA CN1C(=O)C(=Cc2ccc(OCc3ccc(Br)cc3)cc2)C(=O)N(C)C1=S 660707 FWYSLXUGIBQWNG-UHFFFAOYSA-N 445.338 3.627 10 50 IHCA COc1ccc2c3c(n(Nc4ccccc4C(=O)O)c(=O)c2c1OC)-c1ccccc1C3=O 824764557 FDQJFOIXFUBHDQ-UHFFFAOYSA-N 442.427 3.804 10 50 IHCA biogenic O=C(NN1C(=O)/C(=C/c2ccc(O)cc2)SC1=S)c1ccc(Br)cc1 1198655 XGALXPMBBOXCAM-ZROIWOOFSA-N 435.324 3.701 10 50 IHCA CCOc1ccc2ccc(OCC)c(/C=C3/C(=O)NC(=O)N(Cc4ccco4)C3=O)c2c1 15799969 NXBFTSNWWHKVIH-MOSHPQCFSA-N 434.448 3.892 10 50 IHCA COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc1Br 1195158 LMHISXYJLXNZJA-NTEUORMPSA-N 431.311 3.597 10 50 IHCA COc1cc(/C=C2/C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)cc(OC)c1OC 15837972 DIEIOPLXJDTEEV-IOBVOHSESA-N 436.493 3.574 10 50 IHCA CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(N(C)C)c(Br)c2)C1=O 8396010 PBHGTRGHOYQHND-GMROUXNLSA-N 427.320 3.503 10 50 IHCA CCC[C@]1(C(=O)O)N[C@H](c2ccccc2O)[C@@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@H]21 245235059 HJHKXSHNECMLOX-SRCYTUNASA-N 444.487 3.619 10 50 IHCA CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)NC4CCCC4)c4ccccc34)[C@H]21 1775970802 CYFZPKVFAUFSRG-VWLOTQADSA-N 428.536 3.847 10 50 IHCA CCOC(=O)c1c(-n2c(C)cc(/C=C3/C(=O)NC(=O)N=C3O)c2C)sc2c1CCCC2 1162114 GSXNDIVWWUSWRK-UHFFFAOYSA-N 441.509 3.801 10 50 IHCA CC(C)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(O)c(Br)c3)C2=O)cc1 12382985 ACNVIKLVTBGWTH-DHDCSXOGSA-N 429.270 3.945 10 50 IHCA Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(O)c(Br)c3)C2=O)cc1 1215181 ZFUWDBVVCMAAJR-WUXMJOGZSA-N 435.661 3.783 10 50 IHCA Cc1cc(NS(=O)(=O)c2ccccc2)cc(S(=O)(=O)c2ccc(Cl)cc2)c1O 2503802 FKKUDFSUZXCLJK-UHFFFAOYSA-N 437.926 3.988 10 50 IHCA CC[C@@H](C)N1C(=O)/C(=C/c2c(N3CCCCC3)nc3ccccn3c2=O)SC1=S 1149569 ZIVQSYOJVLDBRW-UMWKZLPKSA-N 428.583 3.685 10 50 IHCA COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(OC)c1 1176742 GKLHSUMCJOYSDA-XYOKQWHBSA-N 437.304 3.842 10 50 IHCA CN(C)c1ccc([C@@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 100726734 PFRSABFPMWBXNL-WXFUMESZSA-N 427.504 3.799 10 50 IHCA COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3nccs3)C2=O)cc1OC 13603255 FWHOOGOAJJQPMB-PTNGSMBKSA-N 449.579 3.780 10 50 IHCA Oc1ccc(Br)cc1CN1CCC(N2CCN(c3ccccc3)CC2)CC1 9933466 BJLOHGUGQYOYRE-UHFFFAOYSA-N 430.390 3.941 10 50 IHCA COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 2988526 COEXSEAIODHPPF-GZTJUZNOSA-N 435.548 3.602 10 50 IHCA COC(=O)[C@@H]1C[C@H](NC(=O)c2ccc(-c3cccc(F)c3)cc2)CN1Cc1ccccc1O 64045450 JRSTXHMPEYQJCF-GOTSBHOMSA-N 448.494 3.744 10 50 IHCA COc1cc(OC)c(C=C2C(=O)OC(C)(c3ccccc3)OC2=O)cc1Br 730758 SWRVYZYTSJZDIR-UHFFFAOYSA-N 433.254 3.823 10 50 IHCA COC(=O)C[C@H](c1c(O)cc(C)n(CCc2ccc(O)c(O)c2)c1=O)C1CCCCC1 253402129 GBCARXPPOFSYSO-SFHVURJKSA-N 429.513 3.743 10 50 IHCA biogenic CC(=O)N1C(=O)/C(=C2/SC(Nc3ccc(Br)cc3)=NC2=O)c2ccccc21 22170926 HPDTZVPXBYSMPC-FOCLMDBBSA-N 442.294 3.795 10 50 IHCA O=C1[C@@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1cccc(F)c1 100418887 ROOZMGFMZVXKTF-PCCBWWKXSA-N 441.414 3.521 10 50 IHCA O=C1NC(=S)NC(=O)C1=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1170554 MRVQXJZQWXXUFW-UHFFFAOYSA-N 444.512 3.759 10 50 IHCA O=C(NN1C(=O)/C(=C/c2cccc(O)c2)SC1=S)c1ccccc1Br 1207711 XNBUBXFECAQASJ-ZROIWOOFSA-N 435.324 3.701 10 50 IHCA CN(C)c1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 137803008 SIFVCQCQAKWGQN-DNVJHFABSA-N 431.467 3.943 10 50 IHCA CC1=NN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)[C@H]1/N=N/c1ccc(C(N)=O)cc1 100506628 WAWNAFYHFWFTAD-LRDZBDLTSA-N 449.452 3.692 10 50 IHCA COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc(OC)c1OC 1125908 KEVMDGHFUSXAIN-MDWZMJQESA-N 446.912 3.506 10 50 IHCA CCCCC1(COC(=O)CCC(=O)O)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O 3875039 ONWXNHPOAGOMTG-UHFFFAOYSA-N 438.480 3.566 10 50 IHCA biogenic,world O=C1NN(c2ccccc2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1OCc1ccc(F)cc1 15856687 FFFDRWQUKLURFB-DEDYPNTBSA-N 433.395 3.774 10 50 IHCA O=C1NC(=O)C(=Cc2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)C(=O)N1 16267137 CZKYVOXCZLAUPA-QHCPKHFHSA-N 436.471 3.792 10 50 IHCA Cc1c(N2C(=O)S/C(=C\c3ccc(N(C)C)cc3)C2=O)c(=O)n(-c2ccccc2)n1C 1210742 RQMJZZKJZHWCTG-RGEXLXHISA-N 434.521 3.791 10 50 IHCA CCN1C(=O)/C(=C/c2c(N3C[C@H](C)C[C@@H](C)C3)nc3c(C)cccn3c2=O)SC1=S 26458743 ORIQDPJFRPLPSA-SRDPGZLCSA-N 442.610 3.706 10 50 IHCA O=C1C(=Cc2c(O)cccc2[N+](=O)[O-])C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 95099967 BKDYQILBAMEEQZ-UHFFFAOYSA-N 429.388 3.884 10 50 IHCA O=C1NC(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C\c1ccc2c(c1)OCO2 1151441 MRAUTGYBSSEICN-WZUFQYTHSA-N 438.745 3.754 10 50 IHCA COC(=O)c1c(NC(=O)C[C@H]2Nc3cc(C)c(C)cc3NC2=O)sc2c1CCCC2 780859 MMCYDJBOWKVCLZ-MRXNPFEDSA-N 427.526 3.792 10 50 IHCA CCOC(=O)c1ccc(N2C(=N)S/C(=C\c3ccc(N4CCOCC4)cc3)C2=O)cc1 1186709 LXZRVEVOMMGLGT-UBWZAKNHSA-N 437.521 3.756 10 50 IHCA CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OC)C2=O)cc1 831353 VVEWNYKEGJYYCH-LFIBNONCSA-N 445.269 3.523 10 50 IHCA COCCCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(F)cc3)c2C)C(C(=O)OC)=C1C 2813935 ZTVCCNCOWIALKJ-STZFKDTASA-N 426.488 3.942 10 50 IHCA COc1cc(/C=C2/C(=O)NC(=S)N=C2O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 2986855 CTQGBDNDCOCOMY-UHFFFAOYSA-N 447.856 3.590 10 50 IHCA COc1cc(Br)cc(/C=C2\SC(Nc3cccc(C(=O)O)c3)=NC2=O)c1O 15799740 UYDUEDPSEYLRAT-AUWJEWJLSA-N 449.282 3.944 10 50 IHCA CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)Nc4ccccn4)c4ccccc34)[C@H]21 1775972291 WINHSOBGBZCKSK-VWLOTQADSA-N 437.503 3.822 10 50 IHCA O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(-c2ccccc2C(=O)O)o1 13616195 MFYTZUHJUPEELC-GZTJUZNOSA-N 436.807 3.965 10 50 IHCA COc1ccc(/C=C2/C(=O)N(c3ccc(Br)cc3)C(=O)N=C2O)cc1[N+](=O)[O-] 1203694 OCMYXTBWHAVSJQ-MDWZMJQESA-N 446.213 3.873 10 50 IHCA CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)C1=O 16193651 SFPWKOFHMCKKTK-MRGVZLDZSA-N 442.493 3.811 10 50 IHCA COc1ccccc1OCCOc1ccc(/C=C2\C(=N)N3N=C(C)SC3=NC2=O)cc1 13124893 TVADRGJZOLIJCE-GOIUDQGLSA-N 436.493 3.792 10 50 IHCA COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C/NC[C@@H]2CCCO2)cc1 100795455 OVEDIIMBFCRFKN-AATZCTEQSA-N 434.521 3.708 10 50 IHCA CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3ccc(N(C)C)cc3)C2=O)c1 1174831 LOQIDFFACIIUFE-CJLVFECKSA-N 444.491 3.608 10 50 IHCA O=C(O)c1ccccc1-c1ccc(/C=C2/C(=O)N(c3ccc4c(c3)OCO4)C(=O)N=C2O)o1 15799272 XUXXLGUXTCGTMM-MHWRWJLKSA-N 446.371 3.880 10 50 IHCA Cc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 1202296 AVJDITGYBJDQQM-MOSHPQCFSA-N 430.420 3.669 10 50 IHCA CCN1C(=O)/C(=C2/C(=O)N(CC(=O)Nc3cccc(C)c3)c3ccccc32)SC1=S 1826593 HAQIAEDCQVOTFD-HNENSFHCSA-N 437.546 3.572 10 50 IHCA O=C(CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1ccc(O)cc1 1170378 AJUGLKRKTBNRDT-WQRHYEAKSA-N 442.518 3.741 10 50 IHCA COc1cc(/C=C2/C(=O)N(c3ccc(Cl)cc3)C(=S)N=C2O)c([N+](=O)[O-])cc1OC 16676168 AHHZAWKSCVKFEM-NTUHNPAUSA-N 447.856 3.937 10 50 IHCA C[C@H]1CN(c2ccc(CNC(=O)NCCCOCCc3ccccc3)cc2F)C[C@@H](C)O1 918096198 UNHDHMCRDNVUFV-BGYRXZFFSA-N 443.563 3.888 10 50 IHCA CCN1C(=O)/C(=C2/C(=O)N3c4c(cc(OC(C)=O)cc42)C(C)=CC3(C)C)SC1=S 2388192 UFSBPFYLPJFULA-ICFOKQHNSA-N 428.535 3.745 10 50 IHCA aggregator CN(C)c1ccc([C@@H]2N[C@H](c3ccc(N(C)C)cc3)[C@@H]([N+](=O)[O-])C(C)(C)[C@H]2[N+](=O)[O-])cc1 217354633 AZYNBZDCAGSMDT-COPRSSIGSA-N 441.532 3.521 10 50 IHCA CCc1cc(=O)oc2c(CN(CCOC)C[C@@H]3CCCN4CCCC[C@H]34)c(O)ccc12 409413240 GFQIARMUCJSYDI-SIKLNZKXSA-N 428.573 3.774 10 50 IHCA biogenic Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]23)cc1 100323928 AWAWUILLUYUZGG-FKBYEOEOSA-N 443.499 3.818 10 50 IHCA CCOC(=O)c1c(NC(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)O)sc2c1CCCCCCC2 225591581 UMAMRECRQJXFCC-KNCCTNLNSA-N 435.542 3.791 10 50 IHCA CCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccccc2)C1=O 1785910 JJFOIHVGXLZRKL-LGMDPLHJSA-N 436.562 3.918 10 50 IHCA CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)cc1 15723769 ARGMOFKUMPSPSZ-LFIBNONCSA-N 429.270 3.823 10 50 IHCA COc1cccc(O)c1CN(CCN(C)C)C[C@H]1CCCN(Cc2ccccc2F)C1 22919758 FVMHZWNHELNHKK-FQEVSTJZSA-N 429.580 3.816 10 50 IHCA CCc1nnc(NC(=O)CCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)s1 2988568 RYVPMKLVHNSEOK-NHZNEZGNSA-N 430.580 3.887 10 50 IHCA CCOc1cccc(CN2CCC[C@H](N3CCN(c4ccc(OC)cc4)CC3)C2)c1O 20452891 GTIOHWBPQGVYIE-QFIPXVFZSA-N 425.573 3.586 10 50 IHCA COc1cccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c1OC 15769502 LVQVESPZPICUQW-XYOKQWHBSA-N 437.304 3.842 10 50 IHCA COc1ccc(/C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)O)C2=O)c(OC)c1 26771450 ONIDHPRSLSTMSH-GYKGCMEESA-N 429.519 3.601 10 50 IHCA COc1cc(/C=C2/C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2O)c([N+](=O)[O-])cc1OC 1206142 WNJFLZBKDAPGCQ-NTUHNPAUSA-N 431.788 3.772 10 50 IHCA COC(=O)c1ccc(N2C(=O)/C(=C/c3cc(OC)c(OC)c(OC)c3)SC2=S)cc1 1153973 QYQCSCQPHGPTHW-BOPFTXTBSA-N 445.518 3.905 10 50 IHCA Cc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 2083560 GYMVJDVIJFWVOS-UHFFFAOYSA-N 447.494 3.505 10 50 IHCA COc1cccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4C)C(=O)[C@@H]3ON2c2ccccc2)c1O 226919388 TWGRPKZELCYRLM-QZNHQXDQSA-N 430.460 3.760 10 50 IHCA O=C1[C@@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C(=O)N1C1CCCCC1 169704342 CEOFLJUWINRSDL-PWRODBHTSA-N 429.472 3.510 10 50 IHCA O=C1/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)SC(=S)N1Cc1ccccc1 9310316 IFUSIEUDUZJKSI-CPNJWEJPSA-N 441.534 3.833 10 50 IHCA CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 100147830 ZNTNOINDHSVTCO-WOJGMQOQSA-N 426.860 3.891 10 50 IHCA COc1ccc(/C=C/C(=O)Oc2ccc(/C=C3\SC(=S)NC3=O)cc2OC)cc1 13785675 QMCRTGANCFLATF-AWTFBBCTSA-N 427.503 3.811 10 50 IHCA O=C1/C(=C/c2cccc(Oc3ccccc3)c2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 2361574 NCXYXUNCBNMNPZ-BRYHAGSVSA-N 431.560 3.867 10 50 IHCA O=C(CN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1ccccc1C(=O)O 1186161 CCNVBJJFICRTIF-DHDCSXOGSA-N 432.910 3.878 10 50 IHCA CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCc1ccc(Cl)c(Cl)c1 2776592 NPWRQXNXQMUNJZ-UHFFFAOYSA-N 435.263 3.721 10 50 IHCA CCOc1ccc(N2C(=O)/C(=C/c3cccc(OC)c3OC(C)C)C(=O)NC2=S)cc1 1163680 LFODACYTHSSFEU-QGOAFFKASA-N 440.521 3.712 10 50 IHCA COc1ccc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1OCc1ccccc1F 1150073 HPQXQTRSMKXOEX-RQZCQDPDSA-N 433.482 3.699 10 50 IHCA COc1ccc2c(c1)C=C[C@@H]1[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]3[C@@H](C(=O)C(C)(C)C)N21 248256057 KTWZKNQVFJGNCP-MBDNFAEBSA-N 436.552 3.828 10 50 IHCA CCCN1C(=O)/C(=C2/C(=O)N(CC(=O)Nc3ccccc3)c3ccccc32)SC1=S 1790305 PMTNNGPQCGDLOF-HNENSFHCSA-N 437.546 3.653 10 50 IHCA CCN1C(=O)/C(=C\c2ccccc2OCC(=O)Nc2ccccc2OC)SC1=S 13914500 KQNUDPSQRRDELR-LDADJPATSA-N 428.535 3.934 10 50 IHCA C[C@]1(C2CCN(Cc3cc(Cl)ccc3O)CC2)NC(=O)N(Cc2ccsc2)C1=O 12100279 NOUOPLVNKAZHRZ-OAQYLSRUSA-N 433.961 3.830 10 50 IHCA O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 7003493 DFANYDMHINKHLW-PTNGSMBKSA-N 437.408 3.825 10 50 IHCA COc1cc(/C=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2C)cc(Br)c1O 13914157 KNIKNMJJIFBEAC-AUWJEWJLSA-N 432.230 3.878 10 50 IHCA Cc1sc(NS(=O)(=O)c2cn(C(C)C)cn2)nc1-c1ccc2c(c1)CCC(=O)N2 799187628 XNSORVFPQOVYKS-UHFFFAOYSA-N 431.543 3.581 10 50 IHCA COc1ccc(S(=O)(=O)Nc2cc(Br)c(O)c(Br)c2)cc1 1234502 XDCJSIWJWHJMNY-UHFFFAOYSA-N 437.109 3.727 10 50 IHCA Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@@H]23)cc1 13475758 AWAWUILLUYUZGG-FSSWDIPSSA-N 443.499 3.818 10 50 IHCA C[C@H]1CN(c2ccc(CNC(=O)[C@H](C)n3ccc4ccccc4c3=O)cc2F)C[C@@H](C)O1 225748602 IMLNRSRKJZSHMC-KSZLIROESA-N 437.515 3.632 10 50 IHCA CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C\c3ccc(Br)o3)C2=O)c1 977341 FENQBONOHVTFMW-UKTHLTGXSA-N 449.257 3.506 10 50 IHCA CCOC(=O)c1c(NC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3CC[C@H]2O3)sc2c1CCCCCCC2 239415434 UMAMRECRQJXFCC-KJWYOANISA-N 435.542 3.791 10 50 IHCA Cc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3nnc(CC(C)C)s3)C2=O)cc1 2971440 LVOYZHHDBUWTCJ-ZROIWOOFSA-N 432.596 3.885 10 50 IHCA CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccnc4)c3C)C(=O)NC2=S)cc1 8454154 BWUUWGPALHMAJS-FYJGNVAPSA-N 430.533 3.883 10 50 IHCA Cc1ccccc1[C@@H]1OC2(C(=O)c3ccccc3C2=O)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 101099878 LLQLPNKAGQWUKU-BDTNDASRSA-N 437.451 3.690 10 50 IHCA COc1cc(/C=C2\SC(Nc3cccc(Cl)c3C)=NC2=O)ccc1OCC(N)=O 15223467 KQNMQKQERXYANK-MFOYZWKCSA-N 431.901 3.604 10 50 IHCA Cc1cccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]32)c1 226324388 XFERLAHJCNXKPM-VSKRKVRLSA-N 443.499 3.818 10 50 IHCA COc1ccc(O)c(CN(Cc2ccncc2)CC2CCN(C3CCN(C)CC3)CC2)c1 12448737 ZMKICICMGLIGDR-UHFFFAOYSA-N 438.616 3.604 10 50 IHCA CC(=O)N(C)c1c(Br)cc(N2CCCC2)c2c1C(=O)c1ccccc1C2=O 9082804 YDWSKNBKCDUXFH-UHFFFAOYSA-N 427.298 3.807 10 50 IHCA COc1ccc(CCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)cc1OC 1192081 XDQVYSKSEOCLCY-ODLFYWEKSA-N 429.519 3.876 10 50 IHCA COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)cc1 1203550 PURAQOCDHFTPRJ-XNTDXEJSSA-N 431.311 3.597 10 50 IHCA COc1ccc(N2CCN(C(=O)COc3ccc(Br)cc3Cl)CC2)cc1 640142 SSDODGWVOJJWGC-UHFFFAOYSA-N 439.737 3.839 10 50 IHCA CCN1C(=O)/C(=C2/C(=O)N(CC(=O)Nc3ccc(C)cc3)c3ccccc32)SC1=S 1819757 QBJZKLUFPBSALC-HNENSFHCSA-N 437.546 3.572 10 50 IHCA Cc1ccccc1[C@@H]1OC2(C(=O)c3ccccc3C2=O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 100370651 LLQLPNKAGQWUKU-FKBYEOEOSA-N 437.451 3.690 10 50 IHCA CCCC(=O)N[C@@H](c1ccc(OC)c(OC)c1)c1cc([N+](=O)[O-])c2cccnc2c1O 6146591 FIYPDQWKRCVHIC-FQEVSTJZSA-N 425.441 3.872 10 50 IHCA Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)O)cc4)o3)C(=O)NC2=S)cc1 2121632 VTUZNVAOKUUZJB-LDADJPATSA-N 432.457 3.785 10 50 IHCA CN1CCN(c2ccc(CNC(=O)C3CCN(Cc4ccccc4Cl)CC3)cc2)CC1 67603476 BCAZDGUTZVCQQB-UHFFFAOYSA-N 441.019 3.620 10 50 IHCA COc1ccc(S[C@@H]2C[C@@H](C(=O)NC(C)C)N(Cc3ccc(OC)cc3O)C2)cc1 14889412 CJOGJNJZAIWQGI-RTWAWAEBSA-N 430.570 3.669 10 50 IHCA O=C(NCc1ccc(N2CCOCC2)cc1)C1CCN(Cc2cccc(Cl)c2)CC1 44910867 KPZDCEWDRXYOJX-UHFFFAOYSA-N 427.976 3.705 10 50 IHCA COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2cc(C)cc(C)c2)C1=O 1214893 HJNRQVYZTJIOHC-MHWRWJLKSA-N 429.270 3.741 10 50 IHCA CCN(CC)c1ccc(/C=C2/C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)c(O)c1 706532 IUOXVRZBHDPMIZ-YVLHZVERSA-N 447.413 3.924 10 50 IHCA CC[C@@H](C)N1C(=O)/C(=C\c2c(N3CCCCC3)nc3ccccn3c2=O)SC1=S 12614460 ZIVQSYOJVLDBRW-LBFFYKKLSA-N 428.583 3.685 10 50 IHCA COc1ccc(S(=O)(=O)c2cc(NS(=O)(=O)c3ccccc3)c(C)c(C)c2O)cc1 3620778 QBCJQRVURNOEIA-UHFFFAOYSA-N 447.534 3.651 10 50 IHCA CCOc1cccc(CN2CCC[C@@H](N(C)CCc3ccc(OC)c(OC)c3)C2)c1O 19228394 LXBWSJQTSGQHJU-OAQYLSRUSA-N 428.573 3.947 10 50 IHCA CCN(CC)c1ccc(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])c(OCc2ccccc2)c1 33470850 DMJULMYGTSQPOC-ACCUITESSA-N 436.468 3.979 10 50 IHCA COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2Cl)cc1 1161557 DOMAGUIMKUFEAQ-ATVHPVEESA-N 440.883 3.660 10 50 IHCA O=C(CN1CCN(c2ccc(OCc3ccccc3)cc2)CC1)Nc1cccc2nonc12 13324558 KWMUMWXKJRGUAY-UHFFFAOYSA-N 443.507 3.563 10 50 IHCA O=C(Cc1ccccc1)NN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 1221265 PRKAZLWUZGJJJU-GDNBJRDFSA-N 433.352 3.924 10 50 IHCA C[C@@H]1CN(c2ccc(CNC(=O)NCCCOCCc3ccccc3)cc2F)C[C@@H](C)O1 918096202 UNHDHMCRDNVUFV-WOJBJXKFSA-N 443.563 3.888 10 50 IHCA O=C(O)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Br)c2nsnc12 813273 ZWUKRJZEFQUBKL-UHFFFAOYSA-N 448.707 3.606 10 50 IHCA CCn1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)c1C 1134862 IMLDBRWECBOTAQ-CXUHLZMHSA-N 432.343 3.719 10 50 IHCA O=C([C@H]1CCCN(Cc2cc(Br)ccc2O)C1)N1CCc2ccccc2C1 4483014 LNXNZWGBUXBMKJ-SFHVURJKSA-N 429.358 3.952 10 50 IHCA CCc1cc(C)cc(OCCn2cc(C=C3C(=O)NC(=S)NC3=O)c3ccccc32)c1 666067 PPNHDQKIMIQRRD-UHFFFAOYSA-N 433.533 3.505 10 50 IHCA COc1ccc(NC(=O)c2ccc3c(c2SCCO)C(=O)c2ccccc2C3=O)cc1 12420974 KIAARJGPWMBSIC-UHFFFAOYSA-N 433.485 3.807 10 50 IHCA CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)ccc1O 1197631 ACSHDWDJCNTEJX-YBEGLDIGSA-N 434.926 3.991 10 50 IHCA Cc1cccc(N2C(=O)N=C(O)/C(=C\c3cc(Br)c(O)c([N+](=O)[O-])c3)C2=O)c1 14011074 RJSLKGLXRZIAMM-WUXMJOGZSA-N 446.213 3.878 10 50 IHCA COc1ccc(N2CCN([C@H]3CCCN(CC4=Cc5cccc(OC)c5OC4)C3)CC2)cc1 22851662 MJUUXLCCPKWKMO-DEOSSOPVSA-N 449.595 3.766 10 50 IHCA CC(C)CN1C(=O)/C(=C/c2c(N3CCCCC3)nc3ccccn3c2=O)SC1=S 1307440 SQHMKXYAMSNZMV-VBKFSLOCSA-N 428.583 3.542 10 50 IHCA CCc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccncc3)c2C)C(=O)NC1=S 8400659 QVCVZSDKDOTMRP-XSFVSMFZSA-N 430.533 3.883 10 50 IHCA COc1cc(/C=C2\C(=O)N(C)N=C2c2ccccc2)ccc1OCC(=O)Nc1ccccc1 13915012 JYAXVWZXNQSJIB-QNGOZBTKSA-N 441.487 3.972 10 50 IHCA COc1ccc(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1 13773643 ULZBXSCBLUMBTQ-AQTBWJFISA-N 437.546 3.899 10 50 IHCA Cc1ccccc1-n1cc(/C=C2/C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cn1 16225213 BTHKYPWXDCXZMP-MFOYZWKCSA-N 440.381 3.866 10 50 IHCA CCOc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 15722700 QMRGFNVYTKIHKN-WJDWOHSUSA-N 429.270 3.823 10 50 IHCA COc1ccc(/C=C2/C(=O)N(c3cccc(Br)c3)C(=O)N=C2O)cc1[N+](=O)[O-] 15723305 OQDOWSWZSSFHFA-NTUHNPAUSA-N 446.213 3.873 10 50 IHCA CN1C(=O)/C(=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(Cl)c2)C(O)=NC1=S 16212370 PDLQNOSFLBDVDO-RIYZIHGNSA-N 430.869 3.714 10 50 IHCA COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCCc1ccccc1 18032045 FAUJXPYGPKHRCD-QNGOZBTKSA-N 434.521 3.668 10 50 IHCA O=C1[C@@H]2[C@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1cccc(F)c1 100418889 ROOZMGFMZVXKTF-ACRUOGEOSA-N 441.414 3.521 10 50 IHCA Cc1ccnc(NC(=O)Cn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)c1 888103928 LQKRGMFPMVMRNU-UHFFFAOYSA-N 435.487 3.916 10 50 IHCA COc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)ccc1OC(=O)c1cccc(C)c1 2025936 KHEXIUXNYWWIGS-LICLKQGHSA-N 443.502 3.509 10 50 IHCA Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccc(O)c(Br)c2)C1=O 1176086 HUAWDNCIGABAOG-YRNVUSSQSA-N 435.661 3.783 10 50 IHCA Cc1ccc(S(=O)(=O)Nc2cc(C)c(O)c(S(=O)(=O)c3ccc(C)cc3)c2)cc1 2878960 UZOSWLSYFAVQSG-UHFFFAOYSA-N 431.535 3.951 10 50 IHCA CCOc1ccc(N2C(=O)N=C(O)/C(=C\c3cc(Cl)ccc3OCC(=O)O)C2=O)cc1 16226128 HGLXLSFFXIULPU-MHWRWJLKSA-N 444.827 3.709 10 50 IHCA COc1ccccc1-c1c(C(F)(F)F)oc2c(CN3CCN(C)CC3)c(O)ccc2c1=O 19790367 JIPZEFKYKRLIMW-UHFFFAOYSA-N 448.441 3.940 10 50 IHCA biogenic COc1ccc(N2CCN([C@@H]3CCCN(C(=O)c4ccccc4SC)C3)CC2)cc1 55168529 DLKOAGDECNTGER-HXUWFJFHSA-N 425.598 3.844 10 50 IHCA O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCCOc2ccccc2)cc1 9730614 ZOLJSKWOMWZLOW-XLNRJJMWSA-N 428.444 3.811 10 50 IHCA CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)C1=O 16193653 SFPWKOFHMCKKTK-FRSZACSASA-N 442.493 3.811 10 50 IHCA CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4cccnc4)c3C)C2=O)c1 15769206 DIKNYWGELXXADR-CIAFOILYSA-N 430.464 3.554 10 50 IHCA Cc1ccc(/C=C2\SC(=S)N(CCC(=O)N(CCO)c3ccccc3)C2=O)cc1 13800173 FHTYIXDWEPAZQU-CYVLTUHYSA-N 426.563 3.612 10 50 IHCA COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)Nc3cc(OC)ccc32)S1 3878844 QDKADDHHXVDBST-UHFFFAOYSA-N 437.564 3.975 10 50 IHCA CC(C)N1C(=O)/C(=C\c2c(N3CCC[C@H](C)C3)nc3ccccn3c2=O)SC1=S 33404313 LFGAVCDYUODWAP-LUYJPIOASA-N 428.583 3.540 10 50 IHCA Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\c2ccc(O)c(Cl)c2)C1=O 1179129 CWIPKUZPYAQDJU-KPKJPENVSA-N 435.661 3.783 10 50 IHCA COC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)C1=O 1018600 UZFRSZZDVZMGBK-CAOOACKPSA-N 434.901 3.965 10 50 IHCA C[C@@H](NC(=O)c1cc(N(C)S(C)(=O)=O)ccc1Cl)c1ccc(N2CCCC2)cc1 67601952 CSALGGWTHIVJIE-OAHLLOKOSA-N 435.977 3.827 10 50 IHCA O=C(O)COc1ccc(/C=C2\C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)N=C2O)cc1 9059122 ZUOUVUCTQPERDE-NVNXTCNLSA-N 434.326 3.676 10 50 IHCA O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2F)cc1 15837547 GNUPCFPJNUYPJB-DEDYPNTBSA-N 432.407 3.777 10 50 IHCA C[C@H](NC(=O)/C=C/c1c(Cl)nc2sccn12)c1ccc(N2CCN(C)CC2)c(F)c1 2325719435 HBPMVFSYVYNFEJ-GJBLVYBDSA-N 447.967 3.831 10 50 IHCA O=C1Nc2ccc(Br)cc2/C1=C1/SC(=S)N(Nc2ccccc2)C1=O 1811869 VRSOUBIUZBSLFZ-YPKPFQOOSA-N 432.324 4.000 10 50 IHCA Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 13546434 ZUROAIRZXKZXHE-WOJGMQOQSA-N 448.410 3.808 10 50 IHCA COc1ccc(CN2C(=O)/C(=C/c3cc(OC)c(O)c([N+](=O)[O-])c3)SC2=S)cc1 15010850 JTEBWKYPKDPJFK-SXGWCWSVSA-N 432.479 3.719 10 50 IHCA O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(-c2cccc(C(=O)O)c2)o1 2198705 BXDQZCAUWFWBRT-GZTJUZNOSA-N 436.420 3.615 10 50 IHCA CCOc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc(Br)c1O 15722691 CLUDLWKUPGMCKZ-ZSOIEALJSA-N 445.269 3.528 10 50 IHCA COc1ccc(N2CCN(C(=O)c3ccc(COc4ccc([N+](=O)[O-])cc4)o3)CC2)cc1 653024 NFWIZCQUMMZIIO-UHFFFAOYSA-N 437.452 3.738 10 50 IHCA COc1ccc(O)c(CN2CCC(n3nccc3NC(=O)c3ccccc3OC)CC2)c1 15064160 AXLCNWPKIAAAJL-UHFFFAOYSA-N 436.512 3.695 10 50 IHCA Cc1cc(N2C(=O)N=C(O)/C(=C\c3ccc(O)c([N+](=O)[O-])c3)C2=O)ccc1Br 15745779 IQHPJAWLSRBWKT-KPKJPENVSA-N 446.213 3.878 10 50 IHCA COc1ccc2c3c(n(-c4ccc(CCO)cc4)c(=O)c2c1OC)-c1ccccc1C3=O 828773617 KFSAEGHEBWUZEX-UHFFFAOYSA-N 427.456 3.754 10 50 IHCA biogenic COc1cccc(-c2nc(-c3cc(O)c(O)c(OC)c3)[nH]c2-c2oc(C)cc(=O)c2O)c1 1848443102 VNRYWFQVRIPXAZ-UHFFFAOYSA-N 436.420 3.806 10 50 IHCA CN(C)c1ccc(/C=C2/C(=O)NN(c3ccc(F)c(Cl)c3)C2=O)cc1Br 22108433 GWAOFKBEWMJXJG-GHXNOFRVSA-N 438.684 3.769 10 50 IHCA CC(C)CCNC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1775970707 BSRMMRNJLDBLFN-VWLOTQADSA-N 430.552 3.951 10 50 IHCA COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCCOc1ccc(C)cc1 22135403 ZNGCSJFQNPTKRC-CJLVFECKSA-N 444.487 3.923 10 50 IHCA CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1O 15745621 QZYHZZYEJMFDIH-NTEUORMPSA-N 445.269 3.528 10 50 IHCA COc1cc(Br)c(/C=C2/C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)cc1OC 100318472 ACJIQPSAJKVWPB-OVCLIPMQSA-N 445.269 3.971 10 50 IHCA O=C(CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)NCc1ccccn1 888105170 YVXCSADPBNYIAL-UHFFFAOYSA-N 449.514 3.676 10 50 IHCA Cc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3cc([N+](=O)[O-])ccc3O)C2=O)cc1 13799187 RNLQFBYNXGMURH-YVLHZVERSA-N 443.506 3.839 10 50 IHCA CCOc1cc(/C=C2\C(=O)N(c3ccccc3C)C(=O)N=C2O)ccc1O[C@@H](C)C(=O)O 14011047 ALKQRNANASUZHA-HNDQUVLASA-N 438.436 3.752 10 50 IHCA O=C1[C@H]2[C@H](C(=O)N1c1ccc(F)cc1)C1(O[C@H]2c2ccccc2)C(=O)c2ccccc2C1=O 169617643 TYOWENJNRJXUCB-HBMCJLEFSA-N 441.414 3.521 10 50 IHCA CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(OCC)c1 16676181 HKMBHPJHKJHZMN-GZTJUZNOSA-N 430.913 3.969 10 50 IHCA COc1ccc(-n2c(SCC(=O)c3ccc(O)c(O)c3)nnc2-c2ccccn2)cc1 768402339 KIXIRHXDNUZXHP-UHFFFAOYSA-N 434.477 3.724 10 50 IHCA CN(C)c1ccc([C@@H]2NN(Cc3ccccc3)[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@@H]32)cc1 101128675 GMHYZXHTYPNJHQ-SGNDLWITSA-N 432.568 3.500 10 50 IHCA CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@@H]3[C@H](C(=O)O)[C@H]4CC[C@H]3O4)c2C(=O)OC)C1 239038505 DIMFTUHFTPGNFD-GPBKISAOSA-N 449.569 3.893 10 50 IHCA Cc1cc(O)c(S(=O)(=O)c2ccccc2)cc1NS(=O)(=O)c1ccc(Cl)cc1 1107132 ANNQMGNJRUTFHZ-UHFFFAOYSA-N 437.926 3.988 10 50 IHCA COc1ccccc1-n1c(C)cc(/C=C2/C(=O)NC(=S)N(Cc3ccco3)C2=O)c1C 16264823 NKSIEJUPJAQTQY-PDGQHHTCSA-N 435.505 3.523 10 50 IHCA Cn1c(=O)n(C)c2cc(/C=C3\C(=O)N(c4ccc(Cl)cc4)N=C3C(F)(F)F)ccc21 16363867 UGFLGJJAJMJENO-ZROIWOOFSA-N 434.805 3.879 10 50 IHCA Cc1ccccc1OCCCn1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c2ccccc21 2994241 PFBYRDYTRQGNTB-UHFFFAOYSA-N 431.492 3.853 10 50 IHCA COc1ccccc1C(=O)Nc1ccnn1C1CCN(Cc2cccc(OC)c2O)CC1 15078965 JPPDCJIMXFCKRU-UHFFFAOYSA-N 436.512 3.695 10 50 IHCA COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCCOc1ccc([N+](=O)[O-])cc1 22215463 SUHQDLTVOCIPEA-LDADJPATSA-N 446.506 3.892 10 50 IHCA Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C(C)C)C3=O)c(N3CCCCC3)nc12 1474162 DGLATNVCNUAGDY-FOWTUZBSSA-N 428.583 3.603 10 50 IHCA COc1ccc(Br)cc1/C=C1\C(=O)NC(=S)N(c2ccc(C)cc2)C1=O 1194857 BXBQUIFYMKOGMH-XNTDXEJSSA-N 431.311 3.597 10 50 IHCA COc1cc(/C=C2/C(=O)NN(c3cccc(Br)c3)C2=O)ccc1OCC(C)C 16266948 CLRUOPCIOQOJNP-MFOYZWKCSA-N 445.313 3.954 10 50 IHCA COC(=O)c1ccc(-c2ccc(/C=C3/C(=N)N4N=C(c5ccco5)SC4=NC3=O)o2)cc1 16212470 XOCIQYWZHBWTRJ-PMOKRTJVSA-N 446.444 3.994 10 50 IHCA COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC 2959303 XHFOTCDDXSMPCB-KPKJPENVSA-N 437.304 3.842 10 50 IHCA COc1cccc(OCCCOc2ccc(/C=C3\C(=N)N4N=CSC4=NC3=O)cc2)c1 16248015 RAXQTHXRBKPYGO-IGCYDHNNSA-N 436.493 3.792 10 50 IHCA COc1ccc2c(c1)C=C[C@@H]1[C@@H]3C(=O)N(c4cccc(Cl)c4C)C(=O)[C@H]3[C@H](C(C)=O)N21 245255854 LYWNPVXGAPZUCK-MBDNFAEBSA-N 436.895 3.636 10 50 IHCA COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br 9892568 ZBTSTOHYPYUKNZ-MDWZMJQESA-N 435.661 3.778 10 50 IHCA Cc1ccc2c(c1)/C(=C1\SC(=S)N(NC(=O)c3ccccc3Cl)C1=O)C(=O)N2 1776372 OFOAXCAGDXJXRW-CCEZHUSRSA-N 429.910 3.517 10 50 IHCA COc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)ccc1OS(C)(=O)=O 15012065 UWXBLZKNZNGQTI-LFIBNONCSA-N 427.569 3.568 10 50 IHCA CCc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3cccc(C(=O)O)c3)C2=O)cc1 15799835 CDDSKVQEBIGKIS-LICLKQGHSA-N 426.519 3.787 10 50 IHCA COc1ccc2c3c(n(-c4ccc5nc(O)[nH]c5c4)c(=O)c2c1OC)-c1ccccc1C3=O 824519510 VEOIOUJCUJJNNR-UHFFFAOYSA-N 439.427 3.801 10 50 IHCA biogenic O=C1NN(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1ccc(-c2cccc(C(=O)O)c2)o1 12428658 LBVSJAICDNLLEY-GDNBJRDFSA-N 426.787 3.899 10 50 IHCA CCCCN1C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3cc([N+](=O)[O-])ccc3O)N2C1=O 96179451 ARYCFAVIZVGUAH-NQIIRXRSSA-N 434.452 3.860 10 50 IHCA Cn1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c2ccccc21 1053357 CPFFNSRJEYNUOX-MHWRWJLKSA-N 440.322 3.772 10 50 IHCA O=C1Nc2ccc(Br)cc2/C1=C1/SC(=S)N(c2cccc(O)c2)C1=O 2451227 DDZGUUDEFJSSAA-YPKPFQOOSA-N 433.308 3.883 10 50 IHCA O=S(=O)(Nc1cc(Cl)c(O)c(NS(=O)(=O)c2ccccc2)c1)c1ccccc1 2996799 MHPSHWUYGWRDOU-UHFFFAOYSA-N 438.914 3.647 10 50 IHCA CCCCOc1ccc(/C=C2/C(=O)NN(c3ccc(C(=O)OCC)cc3)C2=O)cc1OC 16671917 ICASZDXGWVMAIV-RGEXLXHISA-N 438.480 3.512 10 50 IHCA COC(=O)C[C@H](c1c(O)n(CCc2ccc(O)c(O)c2)c(C)cc1=O)C1CCCCC1 409413899 MBLZTNICEWRBDK-SFHVURJKSA-N 429.513 3.743 10 50 IHCA COc1ccc2c3c(n(-c4ccc(C(=O)O)cc4)c(=O)c2c1OC)-c1ccccc1C3=O 824519335 BXJTURQZLBOBPO-UHFFFAOYSA-N 427.412 3.918 10 50 IHCA biogenic O=C(NN1C(=O)/C(=C/c2ccc(O)cc2)SC1=S)c1ccccc1Br 1210269 UZTMYLXBFCZCOZ-ZROIWOOFSA-N 435.324 3.701 10 50 IHCA CCCCN(C)Cc1cc(I)cc(I)c1O 16662955 HLPMJIXTTXLPFE-UHFFFAOYSA-N 445.082 3.833 10 50 IHCA O=C(CCn1nc2ccccn2c1=O)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12 1875257333 FMGYBWOAFZRYRG-RUZDIDTESA-N 438.487 3.651 10 50 IHCA CCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)O)sc2c1CCCCCCC2 225591552 UMAMRECRQJXFCC-DTDBQYNISA-N 435.542 3.791 10 50 IHCA O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCCOCCOc2ccccc2)cc1 22184909 GONGUHMZSFUCMX-LYBHJNIJSA-N 444.487 3.622 10 50 IHCA CCOc1ccc(N2C(=O)N=C(O)/C(=C\c3cc(OC)c(OC)cc3[N+](=O)[O-])C2=O)cc1 1203938 AOBLHCMYBCLMQH-OQLLNIDSSA-N 441.396 3.517 10 50 IHCA COC(=O)COc1ccc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1OC 2830617 DDADVPCZCXIFLL-ODLFYWEKSA-N 443.546 3.957 10 50 IHCA CC1=NN(c2ccc(I)cc2)C(=O)/C1=C\c1ccc(O)c([N+](=O)[O-])c1 16156155 BHMGJWCXZCODJP-ZSOIEALJSA-N 449.204 3.711 10 50 IHCA O=C1NN(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1ccc(-c2ccc(C(=O)O)cc2)o1 15769584 UIDUKNQMKWGBON-GDNBJRDFSA-N 426.787 3.899 10 50 IHCA COc1ccc(N2CCN(C(=O)COc3ccc(C(C)(C)C)cc3)CC2)c([N+](=O)[O-])c1 5068260 CIZUPDWSTNCYSY-UHFFFAOYSA-N 427.501 3.629 10 50 IHCA O=C1N[C@H](c2c(O)ccc3ccccc23)[C@H](C(=O)c2ccccc2)[C@](O)(C(F)(F)F)N1 226355191 UFPDWGZXDYVWTN-OPYAIIAOSA-N 430.382 3.649 10 50 IHCA COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cc(C)ccn4)c3C)C(=O)NC2=S)cc1 8396078 JAWGZJBPLOWRQZ-DEDYPNTBSA-N 446.532 3.637 10 50 IHCA CCOc1cc(/C=C2\C(=O)N(c3cccc(Cl)c3)C(=O)N=C2O)ccc1OCC(=O)O 16225883 PWJGNIYRQWMJSG-NVNXTCNLSA-N 444.827 3.709 10 50 IHCA Cc1ccc(OCCn2cc(/C=C3\C(=O)NC(=S)N(C)C3=O)c3ccccc32)cc1C 16248090 UVOOXMLVNZFQJY-DEDYPNTBSA-N 433.533 3.594 10 50 IHCA O=C(NCc1ccc(N2CCOCC2)cc1)C1CCN(Cc2c(F)cccc2Cl)CC1 44910895 QBDVJKLGOSIDJK-UHFFFAOYSA-N 445.966 3.844 10 50 IHCA CC(C)CN1C(=O)c2ccc(C(=O)Nc3ccc(Br)cc3C(=O)O)cc2C1=O 8861262 YVQPWRZSLCWKGK-UHFFFAOYSA-N 445.269 3.652 10 50 IHCA CCCN1C(=O)/C(=C/c2c(N3CCC(C)CC3)nc3c(C)cccn3c2=O)SC1=S 1240521 NCPNJPNZKAUVHH-LGMDPLHJSA-N 442.610 3.850 10 50 IHCA COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1C 15745721 JLYMWRRKNZVSKF-XNTDXEJSSA-N 429.270 3.741 10 50 IHCA CCN(CC)c1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c(O)c1 16676004 YGFJPOFISRGDHF-LICLKQGHSA-N 429.929 3.723 10 50 IHCA COc1ccc(Cl)cc1NC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(N(C)C)cc1 867171 LLVVXLGBMWAPOM-IBGZPJMESA-N 430.961 3.846 10 50 IHCA O=C(CN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1cc([N+](=O)[O-])ccc1O 37203305 LARGCCICCRRFQG-VIZOYTHASA-N 449.897 3.794 10 50 IHCA CN(C)c1ccc(CN2CC(=O)N(Cc3cccnc3)C[C@@H](OCc3ccccc3)C2)cc1 14746913 OOFSLTVRUCKIQJ-SANMLTNESA-N 444.579 3.577 10 50 IHCA O=C(CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)NC1CCCCC1 1145208 XLWWHASUAFEQGV-PDGQHHTCSA-N 432.567 3.846 10 50 IHCA CCC1=NN2C(=N)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)C(=O)N=C2S1 9043614 DEXOSGTYBDYAAS-LWIFSIRZSA-N 425.426 3.893 10 50 IHCA CSc1nnc2c(n1)O[C@H](c1cc(O)c(O)c(Br)c1)Nc1ccccc1-2 9601780 CKYNJISPMXAAQM-OAHLLOKOSA-N 433.287 3.937 10 50 IHCA COC(=O)c1ccc(/C=C2/C(=O)N(c3cccc(Br)c3)C(=S)N=C2O)cc1 1203301 SOROEDYQGAQXBJ-OQLLNIDSSA-N 445.294 3.907 10 50 IHCA CCOc1cc(/C=C2\SC(=S)N(CCOC)C2=O)c(Br)cc1OC 15010754 CVVKCIARITYATH-ZSOIEALJSA-N 432.361 3.704 10 50 IHCA COc1ccc(N2CCN(CC(=O)N3c4cc5c(cc4C(C)=CC3(C)C)OCO5)CC2)cc1 334160394 CQDWUOUPTFGMMM-UHFFFAOYSA-N 449.551 3.775 10 50 IHCA CCOc1cccc(CN2CCC3(CC2)C[C@@H]3C(=O)NCCc2ccccc2OC)c1O 14889120 FSGMIOGQLYEBDN-OAQYLSRUSA-N 438.568 3.761 10 50 IHCA COC(=O)C1=CN(c2ccc(F)c(F)c2)c2cc(Br)ccc2S1(=O)=O 263616709 KECQZIZBMVLAMX-UHFFFAOYSA-N 430.226 3.667 10 50 IHCA O=C(CN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)Nc1nccs1 1218063 KPMXZWNUXVQVKQ-XFFZJAGNSA-N 440.369 3.746 10 50 IHCA CCOc1cc(/C=C2/C(=O)NN(c3ccc(Br)cc3)C2=O)cc(Cl)c1O 1146508 FZDSRPKOEBQXPJ-QPEQYQDCSA-N 437.677 3.668 10 50 IHCA COc1ccc(/C=C2\SC(=S)N(CCCC(=O)NC3CCCC3)C2=O)cc1OC 1161510 PZXKOBAPRGCBEJ-AQTBWJFISA-N 434.583 3.744 10 50 IHCA COc1ccc(S(=O)(=O)c2c(C)c(NS(=O)(=O)c3ccccc3)cc(C)c2O)cc1 3620730 IKFYYRYGCDTPSU-UHFFFAOYSA-N 447.534 3.651 10 50 IHCA aggregator Cc1ccc2nc(N3CCCCC3)c(/C=C3\SC(=S)N(CC(C)C)C3=O)c(=O)n2c1 1306768 SYIYTOAUDWAAPY-BOPFTXTBSA-N 442.610 3.850 10 50 IHCA C/C(NCCCn1ccnc1)=C1\C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 18091192 UIDOGKACTUAUDT-NTCAYCPXSA-N 434.447 3.712 10 50 IHCA O=C1[C@@H]2[C@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1C1CCCC1 104919881 NJOFSRUEBYWJCU-UFYCRDLUSA-N 449.890 3.773 10 50 IHCA CN(C)CCOC(=O)CCN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S 2900363 HOUXCQZDFLWGDF-ZROIWOOFSA-N 433.382 3.690 10 50 IHCA CCCCN1C(=O)[C@H]2[C@@H](c3cc(Br)ccc3O)N(c3ccccc3)O[C@H]2C1=O 229967850 OHZDMHXAYPJNCU-IPMKNSEASA-N 445.313 3.801 10 50 IHCA CC(C)(C)n1cccc1/C=C1\C(=O)NC(=S)N(c2cccc(Br)c2)C1=O 30803238 NJJLGPMGRDMERH-RVDMUPIBSA-N 432.343 3.837 10 50 IHCA O=C(CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)Nc1nccs1 13576705 HAJBPRKLARNYQA-XFFZJAGNSA-N 440.369 3.746 10 50 IHCA O=C1NN(c2ccccc2)C(=O)/C1=C/c1cccc(OCCOc2ccc([N+](=O)[O-])cc2)c1 2993644 BVOKLSUSJNRCBP-CJLVFECKSA-N 445.431 3.514 10 50 IHCA COc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(C)cc3C)C(=O)NC2=S)cc1 1163547 ISWUVZPVTXIHHQ-XSFVSMFZSA-N 431.517 3.934 10 50 IHCA COc1cccc(OCCOc2ccccc2/C=C2\C(=O)NN(c3ccccc3)C2=O)c1 15769707 OFKNBQOSENXWLJ-CJLVFECKSA-N 430.460 3.614 10 50 IHCA O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1cc([N+](=O)[O-])ccc1O 36384014 VASQJKRDMQTYOT-XNTDXEJSSA-N 449.535 3.982 10 50 IHCA O=C1[C@@H]2[C@@H](c3ccc(F)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1C1CCCCC1 13477759 MLXQHVURHOIKLS-PCCBWWKXSA-N 447.462 3.649 10 50 IHCA Cc1ccc(C2=NC(=O)/C(=C3/C(=O)Nc4ccc(I)cc43)S2)cc1 16675559 KUFLZVJFZMRGQN-PFONDFGASA-N 446.269 3.983 10 50 IHCA CC1=NN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)[C@@H]1/N=N/c1ccc(C(N)=O)cc1 100506624 WAWNAFYHFWFTAD-GSWFEHRJSA-N 449.452 3.692 10 50 IHCA O=C(NN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)c1ccccc1O 1230922 BUCYZUBVHMVTFC-ZROIWOOFSA-N 435.324 3.701 10 50 IHCA COc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1 652491 ICKMUVDKTNRYNP-UHFFFAOYSA-N 432.523 3.605 10 50 IHCA O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 13548932 DWOZRMBMNDHQPO-VCHYOVAHSA-N 448.366 3.588 10 50 IHCA Cc1c(CNC(=O)NC[C@@H](O)COc2ccc(C(F)(F)F)cc2)n(C)c2ccccc12 472245826 XCYKGKKPBNFYTN-MRXNPFEDSA-N 435.446 3.745 10 50 IHCA COc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OC)c(Cl)c3)C(=O)NC2=S)cc1 1199084 YWDGUQLFZZHNBW-NTUHNPAUSA-N 437.304 3.842 10 50 IHCA O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1cccn1-c1ccc(Br)cc1 1182299 TXBRGDQAWKETAB-QGOAFFKASA-N 436.265 3.906 10 50 IHCA O=C1/C(=C\c2ccc(OCc3ccccc3)cc2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 2279252 ATJNUJYULAQEOK-DAQNXSASSA-N 445.587 3.654 10 50 IHCA CC(=O)Nc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(N)cc2)cc1 3179194 IDEKBJZAIRMLMJ-UHFFFAOYSA-N 448.508 3.715 10 50 IHCA O=C(O)CN1C(=O)/C(=C2/C(=O)N(Cc3ccccc3Cl)c3ccccc32)SC1=S 16248093 SYRWCMVZBIORDX-MSUUIHNZSA-N 444.921 3.543 10 50 IHCA O=C1/C(=C2/C(=O)N(Cc3ccccc3)c3ccccc32)SC(=S)N1C[C@@H]1CCCO1 25581002 JIIXTURJMAEMBN-JVMRMLDLSA-N 436.558 3.984 10 50 IHCA CC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)o2)cc1 25581024 XBNNJHIIVOUCRE-BFERYNQYSA-N 447.559 3.538 10 50 IHCA CCOc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(Br)ccc2OC)C1=O 6573690 JWAWJOKATKFVDL-KAMYIIQDSA-N 445.269 3.523 10 50 IHCA CCN(CC)c1ccc(/C=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2N2CCOCC2)cc1 13130763 KVYXOKYZPKLMFG-XLNRJJMWSA-N 449.511 3.517 10 50 IHCA Cc1cnc(NC(=O)Cn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)s1 888103998 RZJQSCNCWZJVRR-UHFFFAOYSA-N 441.516 3.978 10 50 IHCA COc1cc(/C=C2/SC(=S)NC2=O)cc(Br)c1OCc1ccccn1 6181212 WTFRPQCJLMLGGW-RIYZIHGNSA-N 437.340 3.921 10 50 IHCA CCOc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3cccc(Cl)c3C)C1=O)OCO2 1133071 JXKCSCYEWXPJSK-NTUHNPAUSA-N 444.896 3.607 10 50 IHCA CCOC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)C1=O 6378722 VIGXOWKLVBJXMY-RQZCQDPDSA-N 429.454 3.602 10 50 IHCA COc1ccc(N2C(=O)/C(=C/c3cccn3-c3cccc(C)c3)C(=O)NC2=S)c(OC)c1 1127264 NVFLNMWZDROVTE-CPNJWEJPSA-N 447.516 3.634 10 50 IHCA CN(C)c1ccc(/C=C/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1 1153453 KPHRPHTVZBUTSU-FKKWJZCKSA-N 440.297 3.738 10 50 IHCA CCOc1cc(/C=C2\C(=O)N(c3ccccc3C)C(=O)N=C2O)ccc1O[C@H](C)C(=O)O 14011050 ALKQRNANASUZHA-VQCBNXJZSA-N 438.436 3.752 10 50 IHCA CN1CCN(c2ccc(CNC(=O)C3CCN(Cc4cccc(Cl)c4)CC3)cc2)CC1 67630016 MBBDHLBDGYTHRM-UHFFFAOYSA-N 441.019 3.620 10 50 IHCA CC[C@@H](C)N1C(=O)/C(=C/c2c(N3CCCC3)nc3c(C)cccn3c2=O)SC1=S 16713635 MQMOGLZTGIZTDG-IZCBMXNHSA-N 428.583 3.603 10 50 IHCA C[C@@H](C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)n1ccc2ccccc2c1=O 225748632 IMLNRSRKJZSHMC-KURKYZTESA-N 437.515 3.632 10 50 IHCA CCOC(=O)CN1C(=O)S/C(=C\c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)C1=O 1166116 VLXOAOUKTUAAIW-YVLHZVERSA-N 429.454 3.602 10 50 IHCA Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N(C)C)c(Br)c3)C2=O)cc1C 1172940 AKYDZZPBSWKNGY-MHWRWJLKSA-N 442.313 3.798 10 50 IHCA O=C(O)c1ccc(N2N=C(c3ccccc3)/C(=C\c3cccc([N+](=O)[O-])c3O)C2=O)cc1 100959657 ITCSKAMWSYOMIK-QGOAFFKASA-N 429.388 3.833 10 50 IHCA CCC[C@@H]1CCc2c(sc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)c2C(N)=O)C1 4030514 RIXKXQREARLKHC-CYBMUJFWSA-N 435.571 3.511 10 50 IHCA COc1cccc(/C=C2\SC(=S)NC2=O)c1OS(=O)(=O)c1ccc(Cl)cc1 16214052 FEOYBYPCQWZOMQ-ZROIWOOFSA-N 441.939 3.605 10 50 IHCA CC(C)CN1C[C@H](NCc2cc(Cl)ccc2O)C[C@H]1C(=O)NCCc1ccccc1F 32558388 DEYVKNKLHGMXGJ-IRLDBZIGSA-N 447.982 3.732 10 50 IHCA COc1ccc2c(c1)c1c(n2CC(=O)N[C@H](C)c2ccc3c(c2)CC(=O)N3C)CCCC1 1875320464 QHPWDEGAEPFKOS-MRXNPFEDSA-N 431.536 3.925 10 50 IHCA CN(C)c1ccc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 100726732 PFRSABFPMWBXNL-RBZQAINGSA-N 427.504 3.799 10 50 IHCA CCOc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4C(=O)O)o3)C(=O)N=C2O)cc1 18272221 BJNJUMDPLDXLBZ-CPNJWEJPSA-N 446.415 3.914 10 50 IHCA O=C1/C(=C/c2cc3c(cc2Br)OCO3)SC(=S)N1Cc1cccnc1 6456777 JPZQQVNGTKNGAW-WCSRMQSCSA-N 435.324 3.974 10 50 IHCA C[C@@H]1CN(c2ccc(CNC(=O)[C@@H](C)n3ccc4ccccc4c3=O)cc2F)C[C@@H](C)O1 252536410 IMLNRSRKJZSHMC-KZNAEPCWSA-N 437.515 3.632 10 50 IHCA O=C1CCCN1CCCN/C=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 100436547 PKKQJLBWRUPEKU-FBMGVBCBSA-N 445.548 3.533 10 50 IHCA COc1cccc(/C=C2\SC(=S)N(CCC(=O)Nc3cccc(OC)c3)C2=O)c1 1190975 GLVOMFOLOXGDJZ-PDGQHHTCSA-N 428.535 3.934 10 50 IHCA COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1ccc(C(=O)O)cc1 3462579 ZXVBFJSRSXYRCM-YBEGLDIGSA-N 427.840 3.924 10 50 IHCA CN(C)c1cc2c(cc1Sc1nc3c(N)nccc3n1CCNCC(C)(C)C)OCO2 72315658 RVJIQAYFTOPTKK-UHFFFAOYSA-N 442.589 3.595 10 50 IHCA COc1ccc2c3c(n(-c4ccc(C(=N)N)cc4)c(=O)c2c1OC)-c1ccccc1C3=O 824519543 YONAWUVEPXAPRY-UHFFFAOYSA-N 425.444 3.503 10 50 IHCA biogenic CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)NC(=O)N(c4ccccc4)C3=O)o2)cc1 1201259 SKZABYNDFCPDGT-RGEXLXHISA-N 430.416 3.790 10 50 IHCA COc1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(N(C)C)cc4)N(c4ccccc4)O[C@H]3C2=O)cc1 229968140 NQUPGJZOCGMEGD-RBZQAINGSA-N 443.503 3.812 10 50 IHCA COc1ccc2c(c1)C=C[C@@H]1[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]3[C@H](C(=O)C(C)(C)C)N21 248256053 KTWZKNQVFJGNCP-CIAFKFPVSA-N 436.552 3.828 10 50 IHCA Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C)C3=O)c(Sc3ccccc3)nc12 2202361 UGGLFXKJANUDFH-PTNGSMBKSA-N 425.560 3.985 10 50 IHCA O=C1/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 1832654 ONMFXYFMCMAAMF-WFSQQTBHSA-N 439.967 3.988 10 50 IHCA O=C(O)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccs2)SC1=S 2533632 IIILFUDXGNDMSG-DHDCSXOGSA-N 427.532 3.887 10 50 IHCA O=C1[C@H]2[C@H](C(=O)N1c1cccc(F)c1)C1(O[C@H]2c2ccccc2)C(=O)c2ccccc2C1=O 169682886 ROOZMGFMZVXKTF-HBMCJLEFSA-N 441.414 3.521 10 50 IHCA Cc1c(CNC(=O)NC[C@H](O)COc2ccc(C(F)(F)F)cc2)n(C)c2ccccc12 472245825 XCYKGKKPBNFYTN-INIZCTEOSA-N 435.446 3.745 10 50 IHCA O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccc(O)c(C(=O)O)c1 3865386 DALIZPZLGJRGJJ-XNTDXEJSSA-N 448.547 3.772 10 50 IHCA CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(I)c1O 1163719 ZAGSNIWVOADWKD-XFFZJAGNSA-N 435.308 3.617 10 50 IHCA Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cccnc1 12362855 FPWXCLYQXDMHBZ-YBFXNURJSA-N 436.924 3.974 10 50 IHCA O=C1/C(=C/c2ccc(-c3cccc(Cl)c3)o2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 13591052 RCIMVVVNOLAAOT-LWLPBDFMSA-N 439.967 3.988 10 50 IHCA Nc1c(S(=O)(=O)O)cc(Nc2ccc(Cl)cc2)c2c1C(=O)c1ccccc1C2=O 13831234 MHSMKEQLFFWYOS-UHFFFAOYSA-N 428.853 3.688 10 50 IHCA in-vitro O=C(CN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)Nc1ccccc1O 1875387224 VANDAYRJUZLIIF-DHDCSXOGSA-N 449.351 3.995 10 50 IHCA COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2cccc(Br)c2)C1=O 1186531 LUOROFAVOJQPPA-RIYZIHGNSA-N 435.661 3.778 10 50 IHCA COc1ccc2ccc(OC)c(C=C3C(=O)NC(=S)N(c4cccc(F)c4)C3=O)c2c1 2040520523 PKSNAQFYEWHQDA-UHFFFAOYSA-N 436.464 3.827 10 50 IHCA COc1ccc(CN[C@H](C)c2cnn(-c3ccc(F)cc3F)c2C)cc1Cn1cncn1 14970021 NZUDVECNDXWOPM-OAHLLOKOSA-N 438.482 3.958 10 50 IHCA O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Br)ccc1O 1198130 ACGPFQQFFICSCD-NTUHNPAUSA-N 437.702 3.639 10 50 IHCA CCOc1cc(/C=C2/C(=O)NC(=S)N=C2O)ccc1OC(=O)c1ccc(Cl)cc1 1179165 SHEUQOSHZYTUPV-UHFFFAOYSA-N 430.869 3.713 10 50 IHCA COc1cc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)c(Br)cc1O 15010798 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