smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C1/C(=C/c2ccc(Br)o2)SC(=S)N1c1ccc(Cl)cc1Cl 1159636 SIOGPLJAKZGOSN-WDZFZDKYSA-N 435.151 5.755 10 50 IKCA N=C1/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C(=O)N=C2SC(c3ccccc3)=NN12 7018027 MJOISAZNPMMSRV-XKVLWOBQSA-N 432.892 5.267 10 50 IKCA CSc1c(C(=O)Nc2ccc(F)c(Cl)c2)ccc2c1C(=O)c1ccccc1C2=O 12371878 CBYAAMKCYOLUOL-UHFFFAOYSA-N 425.868 5.229 10 50 IKCA COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2ccc(C)cc2)N3)cc1 111478773 IBIOMFGDGXSFOT-JQYIIUTOSA-N 446.572 5.631 10 50 IKCA Cc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2ccccc2F)N3)c1 226908465 FLILAMIIHKBRPE-FHAGJXEFSA-N 434.536 5.761 10 50 IKCA COc1ccc(/N=N/c2cc(C)c(/N=N/c3ccc(S(=O)(=O)O)cc3)cc2OC)cc1 32131278 DTRJDURRPWBDEY-BQASJOSNSA-N 440.481 6.090 10 50 IKCA in-vitro O=C(CCc1ccccc1)N[C@@H](c1cccc([N+](=O)[O-])c1)c1c(O)ccc2ccccc12 801034 MLYRZBIFYSWKHF-SANMLTNESA-N 426.472 5.292 10 50 IKCA Cc1ccc(-n2c(C)cc(/C=C3/C(=O)N=C(S)N(c4ccccc4Cl)C3=O)c2C)cc1 1276125 BYPKDJZSXDDIOH-UYRXBGFRSA-N 449.963 5.299 10 50 IKCA COC(=O)c1ccccc1-c1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)o1 1209349 DSLGGWUUDXOOTH-DEDYPNTBSA-N 435.526 5.135 10 50 IKCA CCc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)C(=O)N=C1O 1211921 GLDAWLIAAOQHTQ-FYJGNVAPSA-N 447.922 5.181 10 50 IKCA O=C1/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)SC(=S)N1c1cccc(Cl)c1 1139935 MNUWPLRXZCNOOY-LDADJPATSA-N 441.921 5.445 10 50 IKCA C[C@H](Oc1ccc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)cc1)c1ccccc1 2983696 VRNXTPOWSLOQDR-BGAMQZKWSA-N 444.438 5.008 10 50 IKCA CCN(CC)P(=N/N=N/c1nc2ccccc2s1)(c1ccccc1)N(CC)CC 4558089 ODKIOWSXMWVSQZ-WCWDXBQESA-N 428.546 6.335 10 50 IKCA CCCCN1C(=O)/C(=C2/C(=O)N(Cc3ccccc3Cl)c3ccccc32)SC1=S 2672184 ASALIJMHBJJVKQ-HNENSFHCSA-N 442.993 5.258 10 50 IKCA COc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)SC2=S)cc1 1193217 LPDGDEYQTPGUII-UNOMPAQXSA-N 427.934 6.014 10 50 IKCA O=C1NC(=S)S/C1=C\c1cccc(OCCOc2ccc(C3CCCCC3)cc2)c1 2994020 GISPXPHBFZWEEI-JWGURIENSA-N 439.602 5.681 10 50 IKCA Oc1c(Cl)cc(Cl)cc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 25868966 XZDKUPMCVMDSRN-UGKGYDQZSA-N 445.733 6.595 10 50 IKCA CCN1C(=O)/C(=C\c2cc(Cl)c(OCc3ccccc3F)c(OC)c2)SC1=S 6470430 LUQBRUXOHVKGPK-LICLKQGHSA-N 437.945 5.288 10 50 IKCA CC(C)(C)c1ccc(/C=C2/SC(N3CCN(c4ccc(Cl)cc4)CC3)=NC2=O)cc1 2315302 HERYRAWVBUWXGR-LTGZKZEYSA-N 440.012 5.430 10 50 IKCA O=C1/C(=C/c2cc(Cl)cc(Br)c2O)SC(=S)N1C1CCCCC1 13517267 COWRPOICXFNGPB-QPEQYQDCSA-N 432.792 5.342 10 50 IKCA CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(Cl)c(Br)c1O 13915046 HTHMFZRCEVNREC-NTEUORMPSA-N 435.705 5.013 10 50 IKCA CCCCCN1C(=O)/C(=C2/C(=O)N(Cc3ccc(C)cc3)c3ccccc32)SC1=S 16729380 GAMJZRWEKGMJHO-MRCUWXFGSA-N 436.602 5.303 10 50 IKCA COc1ccc([C@@H](NC(=O)Cc2ccccc2)c2c(O)ccc3ccccc23)cc1OC 2870333 JBXAVKWEIYMUAH-HHHXNRCGSA-N 427.500 5.011 10 50 IKCA O=C1/C(=C\c2cc(Br)ccc2F)SC(=S)N1c1cccc(Cl)c1 15012059 QGUXNRFZVLGVBY-VGOFMYFVSA-N 428.735 5.647 10 50 IKCA O=C(C(=O)c1ccc(C(=O)c2ccc(C(=O)C(=O)c3ccccc3)cc2)cc1)c1ccccc1 16309435 SVAZFUJHBPAISH-UHFFFAOYSA-N 446.458 5.049 10 50 IKCA COc1ccccc1N1C(=O)/C(=C/C(Br)=C/c2ccccc2)SC1=S 2833853 FIVSUHFOGOGDKV-AMHNRXTASA-N 432.364 5.380 10 50 IKCA CC(C)(C)c1ccc(OCCn2cc(/C=C3/SC(=S)NC3=O)c3ccccc32)cc1 13402351 DAQGPZVYZXMDEA-KGENOOAVSA-N 436.602 5.507 10 50 IKCA CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 100894740 CVPHBRODHACFPU-HYARGMPZSA-N 447.878 5.633 10 50 IKCA CC(C)(C)c1ccc(OCCCOc2cccc(/C=C3/SC(=S)NC3=O)c2)cc1 2882459 NYOJPQYXUDZSFP-HMMYKYKNSA-N 427.591 5.321 10 50 IKCA CCCSc1nnc2c(n1)O[C@@H](c1ccc(N(CCC)CCC)cc1)Nc1ccccc1-2 2911255 KIVSPYDNNYNCLW-QHCPKHFHSA-N 449.624 6.170 10 50 IKCA O=C1c2ccccc2C(=O)C1C1=Nc2ccccc2N[C@H](c2ccc(Br)cc2)C1 100326879 XVVVVXCLMFYDBY-FQEVSTJZSA-N 445.316 5.774 10 50 IKCA O=C(COC(=O)c1ccc2c3c1[C@@H]1C=CC[C@@H]1CN3C[C@@H]1CC=C[C@@H]21)c1ccc(Cl)cc1 169616524 JMZLFTVBMPZFSD-UYWIDEMCSA-N 445.946 5.533 10 50 IKCA Cc1ccc(-n2c(C)cc(C(=O)CSc3nnc4cc(C)c5ccccc5n34)c2C)cc1 628661 NQCOGTFDMSWUIK-UHFFFAOYSA-N 440.572 5.882 10 50 IKCA COc1ccc(Br)cc1/C=C1/SC(=S)N(c2cccc(Cl)c2)C1=O 2070559 ODMMXBRLAVPKNR-OVCLIPMQSA-N 440.771 5.517 10 50 IKCA CCCCC1=NN2C(=N)/C(=C/c3ccc(-c4ccc(OC)c(Cl)c4)o3)C(=O)N=C2S1 15855905 ANUDJSDRNWKXRA-HCQBZFMKSA-N 442.928 5.418 10 50 IKCA O=C1/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC(=S)N1CCc1ccccc1 7018332 IDKQUWOGKOJZTC-XSFVSMFZSA-N 436.514 5.299 10 50 IKCA COc1cccc([C@@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@@H]32)c1OC 9010393 MEFSZRVSQIJVBG-CKFHNAJUSA-N 433.289 5.135 10 50 IKCA CCN1C(=O)/C(=C\c2cccc(OCCCOc3cc(C)cc(C)c3)c2)SC1=S 6470602 FJFZHMFADLKRLC-RCCKNPSSSA-N 427.591 5.372 10 50 IKCA CN(C)c1ccc([C@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccccc4)=NN32)cc1 25559550 KBTPBDVRURBDLC-ISKFKSNPSA-N 448.364 5.757 10 50 IKCA COc1cc(/C=C2\C(=O)N(c3cccc(Br)c3)N=C2C)ccc1OC(C)C 16115940 OQLKUKFOILDKOQ-ZDLGFXPLSA-N 429.314 5.051 10 50 IKCA COc1ccc(CN2CCOc3c(cc(-c4ccc(SC)cc4)cc3OC)C2)c(O)c1 12570614 CRSKEZSSEYUZQQ-UHFFFAOYSA-N 437.561 5.193 10 50 IKCA COc1ccc(O)c(CN2CCc3cc(OC)c(OC)cc3[C@H]2c2cccc(Cl)c2)c1 16672206 YIKOBSATCXWBPI-RUZDIDTESA-N 439.939 5.219 10 50 IKCA COc1cc([C@H](Nc2cccc(C)n2)c2ccc3ccc(C)nc3c2O)cc(OC)c1OC 4164735 PKONGJVFAYPTNC-QHCPKHFHSA-N 445.519 5.180 10 50 IKCA biogenic COc1ccccc1C(=O)Nc1cccc(N2CCC(NCc3ccccc3C)CC2)c1 11841950 YUWOITMUGJXOPS-UHFFFAOYSA-N 429.564 5.015 10 50 IKCA COc1cccc([C@H]2N=NC(C3C(=O)c4ccccc4C3=O)=C[C@H]2c2ccccc2)c1OC 103465886 DQILQMCELXQZLN-GBXCKJPGSA-N 438.483 5.574 10 50 IKCA CN1C(=O)/C(=C\c2ccccc2OCCCOc2ccc(C(C)(C)C)cc2)SC1=S 2878655 VEBPRAOVSMMEDQ-LTGZKZEYSA-N 441.618 5.663 10 50 IKCA CCN1C(=O)/C(=C\c2cccc(OCCCOc3ccc(C)cc3C)c2)SC1=S 6470612 VBYSUUIVBIBLDK-RCCKNPSSSA-N 427.591 5.372 10 50 IKCA O=C(Nc1ccc(/N=N/c2ccccc2)c(NC(=O)c2cccs2)c1)c1cccs1 16667641 GSSDGQUXZJBSIA-OCEACIFDSA-N 432.530 6.730 10 50 IKCA CCN1C(=O)/C(=C\c2ccccc2OCCCOc2ccc(C)cc2C)SC1=S 6470654 RZQFGHQELQJDJR-RCCKNPSSSA-N 427.591 5.372 10 50 IKCA CCc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc(F)c(Cl)c3)C2=O)cc1 1217335 LTOZCBCEOVTDCV-WQRHYEAKSA-N 448.972 5.272 10 50 IKCA CCc1cc2c(=O)c(-c3cnn(-c4ccccc4)c3)c(C)oc2c(CN2CCCCC2)c1O 8828697 UUVRVBKHTIGLKP-UHFFFAOYSA-N 443.547 5.208 10 50 IKCA Nc1cc(N)c(Oc2ccc(C(=O)O)cc2)cc1N=Nc1cc([N+](=O)[O-])cc(Cl)c1O 257347275 CENOLHYYCDBPJU-UHFFFAOYSA-N 443.803 5.024 10 50 IKCA COc1ccc(OC)c(NC(=O)c2c(NCc3ccncc3)sc3c2CC[C@@H](C)C3)c1 920904 NMIYVWQXIVTRSS-OAHLLOKOSA-N 437.565 5.150 10 50 IKCA CCOc1cc(/C=C2\SC(=S)N([C@@H](C)CC)C2=O)ccc1OCc1ccccc1 2668105 AGZPYVJGTLNMSC-AKGOGDBKSA-N 427.591 5.664 10 50 IKCA Cc1ccc(OCCCOc2ccc(Cl)cc2/C=C2/SC(=S)NC2=O)cc1C 2882425 PSCAYMIKVDSBJN-XDHOZWIPSA-N 433.982 5.294 10 50 IKCA CN(C)c1ccc([C@@H]2Oc3c(Cl)cc(Cl)cc3[C@H]3CC(c4ccccc4)=NN23)cc1 25578331 DDFODXNBWVAKQG-VWNXMTODSA-N 438.358 6.302 10 50 IKCA O=S(=O)(Nc1ccc(O)c(-c2c(O)ccc3ccccc23)c1)c1cccc2ccccc12 2840927 WCPGYXNIBIXOHB-UHFFFAOYSA-N 441.508 5.872 10 50 IKCA O=C1/C(=C/c2ccccc2OCc2cccc(F)c2)SC(=S)N1CCc1ccccc1 9295941 LXEHSZSOHBDUGA-KQWNVCNZSA-N 449.572 5.849 10 50 IKCA N=C1/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N=C2SC(c3ccccc3)=NN12 9299724 ZACXOKFZJKJYBI-XKVLWOBQSA-N 432.892 5.267 10 50 IKCA COc1ccc2c(c1)S[C@H](c1cc3c(cc1Cl)OCO3)CCN2Cc1[nH]cnc1C 12246431 SOOZCPZAOAZZKV-NRFANRHFSA-N 443.956 5.353 10 50 IKCA O=C1c2ccccc2C(=O)c2cc3cc4c(cc3cc21)C1c2ccccc2C4c2ccccc21 4552068 CNDALMPGSRLLBZ-UHFFFAOYSA-N 434.494 6.602 10 50 IKCA O=C1N=C(Nc2ccccc2)S/C1=C\c1cc(C23CC4CC(CC(C4)C2)C3)ccc1O 207097626 OMZMBFWEZGVZJM-FMCGGJTJSA-N 430.573 5.942 10 50 IKCA Cc1ccccc1N1C(=O)/C(=C/c2ccccc2OCc2ccc(F)cc2)SC1=S 3000606 WZIKDSWXZVJEME-HMAPJEAMSA-N 435.545 6.119 10 50 IKCA COc1cccc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@H]32)c1OC 13389320 MEFSZRVSQIJVBG-PJIJBLCYSA-N 433.289 5.135 10 50 IKCA CCN1C(=O)/C(=C/c2cc(Cl)ccc2OCCOc2ccc(OC)cc2)SC1=S 22229101 RVGRCCVQVRLADQ-UYRXBGFRSA-N 449.981 5.028 10 50 IKCA CC(C)(C)N(Cc1ccccc1)C(=O)CCN1C(=O)/C(=C\c2cccs2)SC1=S 12032403 MYYVNUAGAPNIIK-NBVRZTHBSA-N 444.647 5.167 10 50 IKCA COc1cccc(C(=O)Oc2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)cc2)c1 13881236 ZUTABLRDWKMJPU-STZFKDTASA-N 447.537 5.320 10 50 IKCA Cc1ccc(Sc2ccc(/C=C3/C(=N)N4N=C(c5ccccc5)SC4=NC3=O)o2)cc1 15800243 RBGZACIWBVNULU-PCHQCWAOSA-N 444.541 5.407 10 50 IKCA Cc1ccc(-n2nnc3c4c(c(NC5CCCCC5)cc32)C(=O)c2ccccc2C4=O)cc1 8856492 MKRXSAAQSPGSCJ-UHFFFAOYSA-N 436.515 5.249 10 50 IKCA CC[C@H](C)c1ccccc1OCCCOc1cccc(/C=C2/SC(=S)N(C)C2=O)c1 2882387 FUORUULZHCKFKL-JMMZKRSASA-N 441.618 5.879 10 50 IKCA Cc1cccc(COc2ccc(/C=C3\SC(=S)N(Cc4cccnc4)C3=O)cc2)c1 15010833 UWFUMWIJUDWHKG-XKZIYDEJSA-N 432.570 5.370 10 50 IKCA Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(C(=O)O)c4)o3)SC2=S)c(C)c1 2920438 CITQHGFIPKNIHN-NDENLUEZSA-N 435.526 5.667 10 50 IKCA CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cccc(Cl)c3)C2=O)cc1 13773635 OCQRRULVSZORRW-UYRXBGFRSA-N 445.009 5.523 10 50 IKCA O=C1/C(=C/c2ccc(OCCOc3ccccc3)cc2)SC(=S)N1Cc1ccco1 2834937 OOHZHPPGCGZDOC-QNGOZBTKSA-N 437.542 5.139 10 50 IKCA COc1cccc(CN2CCC[C@H](CCC(=O)Nc3ccc(C(F)(F)F)cc3)C2)c1O 12717046 QWPLLJKIHAAMEE-MRXNPFEDSA-N 436.474 5.051 10 50 IKCA COc1ccc2c(c1)S[C@@H](c1ccccc1F)CCN2Cc1c(C)nn(C)c1Cl 14994235 RNDMXKIDCXYVAQ-HXUWFJFHSA-N 431.964 5.773 10 50 IKCA COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C(C)C)C2=O)cc1C 33759100 CPTGXRSGYGRICX-FYJGNVAPSA-N 449.601 5.466 10 50 IKCA O=C1c2ccccc2C(=O)C1C1=Nc2ccccc2N[C@@H](c2ccc(Br)cc2)C1 100326884 XVVVVXCLMFYDBY-HXUWFJFHSA-N 445.316 5.774 10 50 IKCA O=C(O)c1ccc(-c2ccc(/C=C3\SC(=S)N(c4cccc(F)c4)C3=O)o2)cc1 2919066 JTUBMHKRCOLSBH-WQRHYEAKSA-N 425.462 5.190 10 50 IKCA CCOc1cc([C@@H](Nc2cc(C)ccn2)c2ccc3ccc(C)nc3c2O)ccc1OC 6387305 DFGDEHMIIPYKSL-XMMPIXPASA-N 429.520 5.561 10 50 IKCA O=C1/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC(=S)N1C[C@H]1CCCO1 1028533 QNAPXNYKNJLCJG-LFMVTYOGSA-N 440.373 5.634 10 50 IKCA CC(C)=CC[C@@]1(Cl)C(=O)c2c(O)cc(O)cc2C(=O)[C@@]1(O)CC1=C(C)CC(C)(C)CC1 2332924338 TYBKVNCIJNGZBZ-RPBOFIJWSA-N 446.971 5.459 10 50 IKCA COC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(c4cccc(C)c4)C3=O)o2)cc1 1159287 GIBLAWBCEZTFCI-MOSHPQCFSA-N 435.526 5.447 10 50 IKCA CC[C@@H](C)c1ccccc1OCCCOc1cccc(/C=C2/SC(=S)NC2=O)c1 2882678 XBQPTVHKMOYMGZ-GXPOEHQZSA-N 427.591 5.537 10 50 IKCA CCCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccccc2)SC1=S 19800536 NPZATDZMWXKCKZ-LTGZKZEYSA-N 433.602 5.931 10 50 IKCA COC(=O)c1cc(-c2ccc(Br)cc2)n(-c2cccc(C(F)(F)F)c2)c1C 4237721 FXGDJUBIRYHHFQ-UHFFFAOYSA-N 438.243 6.021 10 50 IKCA O=C1N(Cc2c(Cl)cccc2Cl)c2ccccc2[C@@]12NN=C(c1ccccc1)S2 2997110 NKCYQOVZEJRVCK-QFIPXVFZSA-N 440.355 5.391 10 50 IKCA O=C1N=C(Nc2ccc(Cl)c(C(=O)O)c2)S/C1=C\c1cccc(Cl)c1Cl 3462740 GFPROCZQGFOSBM-MLPAPPSSSA-N 427.696 5.427 10 50 IKCA COc1cccc(CN2CCC[C@@H](CCC(=O)Nc3ccc(C(F)(F)F)cc3)C2)c1O 12717044 QWPLLJKIHAAMEE-INIZCTEOSA-N 436.474 5.051 10 50 IKCA Cc1cccc(C2=NN3C(=N)/C(=C\c4ccc(-c5cccc(Cl)c5)o4)C(=O)N=C3S2)c1 16193447 PLCQCYFCIRTMOK-LSZLNTRYSA-N 446.919 5.576 10 50 IKCA CC(=O)N(/C=C/C=C/C=C1/SC(=S)N(CCc2ccccc2)C1=O)c1ccccc1 2597414 BMNIQMQAAAQEGC-DJTDIJDXSA-N 434.586 5.096 10 50 IKCA COc1ccc(NC(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)cc2)N3)cc1 226849305 VSNYNWKZXCVVPL-TZBSWOFLSA-N 430.935 6.427 10 50 IKCA Cc1cc(I)cc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@@H]21 13562257 TWHFOXCYUSMAFM-GPMSIDNRSA-N 432.261 5.334 10 50 IKCA COc1ccc2c(c1)S[C@H](c1ccccc1F)CCN2Cc1c(C)nn(C)c1Cl 14994233 RNDMXKIDCXYVAQ-FQEVSTJZSA-N 431.964 5.773 10 50 IKCA CC(C)(C)c1cc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)cc(C(C)(C)C)c1O 6212021 IVQFYEWGGHZFBU-UNOMPAQXSA-N 440.634 5.784 10 50 IKCA CCCC(=O)N[C@@H](c1ccc(N(CC)CC)cc1)c1cc(Cl)c2cccnc2c1O 2815448 WHQCGANOTXJOPB-QFIPXVFZSA-N 425.960 5.446 10 50 IKCA CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OCC 16156250 BZHHXRAMCSQJEU-BOPFTXTBSA-N 429.314 5.053 10 50 IKCA COc1ccc(N2CCN(c3ncnc4scc(-c5ccc(Cl)cc5)c34)CC2)cc1 2846027 WIGBDAMYQJPYPA-UHFFFAOYSA-N 436.968 5.347 10 50 IKCA CCOc1cc(CNc2ccc(O)cc2)cc(Br)c1OCc1cccs1 679192 MAKRKLTVYJEOBC-UHFFFAOYSA-N 434.355 5.806 10 50 IKCA CC[C@@H](C)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccs2)SC1=S 1164348 VFQGMSDMQUARJT-IIMQCXAKSA-N 425.604 5.601 10 50 IKCA Cc1ccccc1C1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccccc4)c3C)C(=O)N=C2S1 15855771 XPBHCWRAZYHRFK-TUKHXMGSSA-N 439.544 5.070 10 50 IKCA O=C(c1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)N(CCO)c1ccccc1 16675533 YAQPCTFAKRFXMH-UHFFFAOYSA-N 443.506 5.729 10 50 IKCA O=C(CCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ccc(Cl)cc1Cl 1218050 RKCYGWNRWPIPJQ-YBEGLDIGSA-N 437.373 5.223 10 50 IKCA CCN1C(=O)/C(=C\c2ccc(OCCCOc3cc(C)ccc3C)cc2)SC1=S 6470566 LPRUKRDTDZOVHN-RCCKNPSSSA-N 427.591 5.372 10 50 IKCA CCCOc1ccc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)cc1OCC 16713633 XAFMWKYLQPKDEI-KQRQPNSISA-N 427.591 5.837 10 50 IKCA CN(C)c1ccc([C@H]2Oc3c(Cl)cc(Cl)cc3[C@H]3CC(c4ccccc4)=NN32)cc1 25578337 DDFODXNBWVAKQG-ISKFKSNPSA-N 438.358 6.302 10 50 IKCA CCOCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccccc2)SC1=S 2533181 GPPVVTOTOPATDR-PGMHBOJBSA-N 449.601 5.167 10 50 IKCA CCCSc1nnc2c(n1)O[C@H](c1ccc(N(CCC)CCC)cc1)Nc1ccccc1-2 2911257 KIVSPYDNNYNCLW-HSZRJFAPSA-N 449.624 6.170 10 50 IKCA CCSc1nnc2c(n1)O[C@@H](c1ccc(N(CC)CC)cc1OC)Nc1ccccc1-2 2977463 JQYPHNORTUERJZ-NRFANRHFSA-N 437.569 5.009 10 50 IKCA CCCCC1=NN2C(=N)/C(=C/c3ccc(OCc4ccc(F)cc4)cc3)C(=O)N=C2S1 15855800 MBDZGIKZHDHASV-QGUUBAPPSA-N 436.512 5.214 10 50 IKCA Oc1ccc(Cl)cc1[C@@H]1Oc2ccc(Br)cc2[C@H]2CC(c3ccco3)=NN12 25559801 DTJHCLKMMLTZFG-UZLBHIALSA-N 445.700 5.643 10 50 IKCA CC(C)c1ccc(/C=C2\SC(=S)N(CNc3cccc(Br)c3)C2=O)cc1 334160510 GIEQOLMDHCOLIB-ZDLGFXPLSA-N 447.423 5.843 10 50 IKCA O=C1/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC(=S)N1CCC1CCCC1 1152530 BOAYLFVXHVCZMY-UYRXBGFRSA-N 428.535 5.636 10 50 IKCA O=C1/C(=C\c2cccc(OCc3ccccc3)c2)SC(=S)N1c1ccc(Cl)cc1 1800747 WCBCAOGBORJGDA-KGENOOAVSA-N 437.973 6.325 10 50 IKCA COc1ccc2c(c1)S[C@H](c1cccc(F)c1)CCN2Cc1nc2ccccc2n1C 12184473 GCXQPJYIHUZZPO-QHCPKHFHSA-N 433.552 5.965 10 50 IKCA CCOc1cc(/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2C(F)(F)F)cc(Cl)c1O 2938595 WLUAXUMSEQXJKH-QPEQYQDCSA-N 445.224 5.446 10 50 IKCA CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 100900484 CCGUWYBTKBLRMC-FYJGNVAPSA-N 447.878 5.633 10 50 IKCA COc1ccc([C@H](NC(=O)c2cccc(OC)c2)c2cc(Cl)c3cccnc3c2O)cc1 6405460 MZGLFQDAHATKPL-QFIPXVFZSA-N 448.906 5.130 10 50 IKCA CCCCOc1ccc(-c2cc(C(F)(F)F)c3c(N)c(C(=O)OCC)sc3n2)cc1 16805346 UFANLBVCQZZGAU-UHFFFAOYSA-N 438.471 5.920 10 50 IKCA Cc1ccc2[nH]c(C)c(/C=C3/C(=N)N4N=C(SCc5ccccc5)SC4=NC3=O)c2c1 15227596 JTGDOEMJERFFKS-MHHBVAOCSA-N 445.573 5.295 10 50 IKCA COc1ccc(Cl)cc1NC(=O)c1c(NCc2ccc(C)o2)sc2c1CCCC2 1152195 YYSUFUXBEXLMRB-UHFFFAOYSA-N 430.957 6.055 10 50 IKCA CC[C@H](C)c1ccccc1OCCCOc1ccccc1/C=C1/SC(=S)N(C)C1=O 2882736 NWFZDUMETLFIEQ-JMMZKRSASA-N 441.618 5.879 10 50 IKCA COc1ccc([C@H]2N=NC(C3C(=O)c4ccccc4C3=O)=C[C@H]2c2ccccc2)cc1OC 103465894 AGZYMSLTCSDPPF-NBGIEHNGSA-N 438.483 5.574 10 50 IKCA CCCCOc1c(Br)cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1OC 16225711 HKMLXZJIISPHSE-PDGQHHTCSA-N 443.341 5.443 10 50 IKCA CCC1=NN2C(=N)/C(=C\c3cn(Cc4ccccc4C)c4ccccc34)C(=O)N=C2S1 15800226 VHJCWROXVMMPKU-QCIUGURRSA-N 427.533 5.027 10 50 IKCA CCCOc1ccc(-c2c(C(=O)OCC)c(C)nc3c2C(=O)c2ccccc2-3)cc1OC 2842773 WRKKOIKVRNRROU-UHFFFAOYSA-N 431.488 5.243 10 50 IKCA COC(=O)c1ccccc1-c1ccc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)o1 15012100 NFYQDMZGQIWPSI-DEDYPNTBSA-N 435.526 5.447 10 50 IKCA O=C1OC(c2ccc(Br)cc2)=C/C1=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 2305150 MBXFZQVJSJEHLQ-KAMYIIQDSA-N 438.233 5.599 10 50 IKCA COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cc(Cl)cc(Cl)c2O)cc1 248183469 FZQZREQQVSMDCE-REWPJTCUSA-N 441.314 5.950 10 50 IKCA COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCCC(C)C 2217140 WKTLLFRHPJCDBO-STZFKDTASA-N 427.591 5.522 10 50 IKCA CCOc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Cl)c1OCc1ccccc1C 2847964 WCKVXTCUHYLXBT-WOJGMQOQSA-N 433.982 5.457 10 50 IKCA O=C(O)c1cc2c3c(c1)[C@@H]1CC=C[C@@H]1[C@H](c1ccc(Br)cc1)N3C[C@H]1CC=C[C@@H]21 247394003 LWUPMVGMGQEQBX-QKZKXAEISA-N 448.360 6.042 10 50 IKCA Cc1cccc(Oc2c(C(F)(F)F)oc3c(CN4CCC(C)CC4)c(O)ccc3c2=O)c1 19791778 HCHHQTIBQNVNLH-UHFFFAOYSA-N 447.453 5.850 10 50 IKCA biogenic N=C1/C(=C/c2ccc(-c3ccccc3Cl)o2)C(=O)N=C2SC(c3ccccc3)=NN12 30765766 RBHDFDMUKBBEIZ-YZQMTWDLSA-N 432.892 5.267 10 50 IKCA CC[C@@H](C)c1ccc(OCCCOc2ccc(/C=C3/SC(=S)N(C)C3=O)cc2)cc1 2882478 BRYDTZLOWJWVDZ-FIOICXDGSA-N 441.618 5.879 10 50 IKCA CCN1C(=O)/C(=C\c2cccc(OCCCOc3ccc(C)c(C)c3)c2)SC1=S 6470604 VTMSHWIQEYRYRB-RCCKNPSSSA-N 427.591 5.372 10 50 IKCA O=C1/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC(=S)N1Cc1ccccc1 13590931 QBJFOTYNKBEBLF-XDHOZWIPSA-N 445.487 6.367 10 50 IKCA O=C(O)c1cc(Br)cc2c1N[C@H](c1ccccc1C(F)(F)F)[C@H]1CC=C[C@H]21 16400851 FSJSKGPHUKTDIJ-PRXAMGSTSA-N 438.243 5.993 10 50 IKCA Cc1ccc(C)c(OCCCOc2ccc(Cl)cc2/C=C2/SC(=S)NC2=O)c1 2882524 FYIHDLFPJFRKEO-XDHOZWIPSA-N 433.982 5.294 10 50 IKCA COc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)ccc1OC(=O)c1ccco1 15799227 KNNZOAPJSUDIIU-UYRXBGFRSA-N 443.546 5.041 10 50 IKCA O=C1c2cccc(NCCc3ccccc3)c2C(=O)c2cccc(NCCc3ccccc3)c21 25560053 RYRKKXQTECNKBL-UHFFFAOYSA-N 446.550 5.771 10 50 IKCA C[C@@H]1CC(C)(C)N(Cc2ccccc2)c2ccc(/C=C3\N=C(c4ccccc4)OC3=O)cc21 253496033 ZJJXQLCFUKZGPK-AUFPJITRSA-N 436.555 6.324 10 50 IKCA O=C1/C(=C/c2ccccc2OCc2ccccc2F)SC(=S)N1c1ccc(F)cc1 3000368 RANPLXMSPRYDFE-BKUYFWCQSA-N 439.508 5.950 10 50 IKCA CC[C@H](C)c1ccc(OCCOc2ccc(Cl)cc2/C=C2\SC(=S)NC2=O)cc1 22229064 ZPEQWNIRVMHDFA-DABDWFRDSA-N 448.009 5.800 10 50 IKCA Cc1oc2ccc(O)c(CN3C[C@@]4(C)C[C@H]3CC(C)(C)C4)c2c1C(=O)Nc1ccccc1 238901388 LVVQKFFHCMICKI-WINIVTDRSA-N 432.564 6.100 10 50 IKCA Cc1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccccc4Cl)C(=S)N=C3O)c2C)cc1 33313304 BYPKDJZSXDDIOH-CPNJWEJPSA-N 449.963 5.728 10 50 IKCA O=C(CCc1ccccc1)N[C@@H](c1ccc([N+](=O)[O-])cc1)c1c(O)ccc2ccccc12 801038 WBKUPKIFXMUTBN-SANMLTNESA-N 426.472 5.292 10 50 IKCA O=C1/C(=C/c2ccc(Cl)cc2Cl)Sc2scc(-c3cccc([N+](=O)[O-])c3)[n+]21 1636019 WXOBMQBMVPTULF-APSNUPSMSA-N 436.321 5.705 10 50 IKCA O=C(O)c1cc(Br)cc2c1N[C@H](c1ccccc1C(F)(F)F)[C@@H]1CC=C[C@@H]21 16400854 FSJSKGPHUKTDIJ-QFSBIZTOSA-N 438.243 5.993 10 50 IKCA Cc1cc(CN2CCN(Cc3ccccc3)CC2)c(C)n1-c1cccc(C(F)(F)F)c1 19608923 SUBVBEAVIGAVTH-UHFFFAOYSA-N 427.514 5.431 10 50 IKCA O=C(O)c1cc2c3c(c1)[C@@H]1C=CC[C@H]1CN3[C@@H](c1ccc(Br)cc1)[C@H]1C=CC[C@@H]21 247393996 LWUPMVGMGQEQBX-BJTMNOAGSA-N 448.360 6.042 10 50 IKCA Cc1cc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c(C)n1-c1ccccc1 19799292 KGMAWZXJYABZRY-BKUYFWCQSA-N 433.489 5.239 10 50 IKCA Oc1ccc(Cl)cc1[C@@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3ccco3)=NN21 25559794 DTJHCLKMMLTZFG-JXFKEZNVSA-N 445.700 5.643 10 50 IKCA Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(O)c(-c3c(O)ccc4ccccc34)c2)c1C 1926283 XLJJGBLBWCKYGZ-UHFFFAOYSA-N 447.556 5.952 10 50 IKCA Cc1ccc2ccc([C@@H](Nc3ccccn3)c3ccc(OCc4ccccc4)cc3)c(O)c2n1 8432705 YAKIHTLSDZJKPO-MHZLTWQESA-N 447.538 6.424 10 50 IKCA O=C(C(=O)c1ccc2oc3ccc(C(=O)C(=O)c4ccccc4)cc3c2c1)c1ccccc1 9035663 BDGITDADXOXMAM-UHFFFAOYSA-N 432.431 5.717 10 50 IKCA C[C@@H]1CN(C2=NC(=O)/C(=C\c3ccc(-c4cccc(C(F)(F)F)c4)o3)S2)C[C@@H](C)O1 15799318 UXLCMHBQTNGESC-ZDFMGPMUSA-N 436.455 5.045 10 50 IKCA COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)o1 13801472 CTMNAPHEFBKCKH-XDHOZWIPSA-N 438.486 5.269 10 50 IKCA O=C(CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1ccc(F)cc1 1182815 NUFLEIWYRZPIQN-ATVHPVEESA-N 434.945 5.099 10 50 IKCA O=C(NN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S)c1ccccc1Cl 1011290 XMCIPBYUOZCZPS-AUWJEWJLSA-N 443.764 5.193 10 50 IKCA Cc1ccccc1COc1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc1 16192854 FOXNZNOXMLEHNU-HMAPJEAMSA-N 435.545 6.119 10 50 IKCA CCCCOc1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1OCC 16713547 GZDNKYAISSTTRQ-XLNRJJMWSA-N 441.618 5.708 10 50 IKCA CCOC(=O)[C@@H](Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)c1ccccc1 2976748 ICRLYMQARHYWKP-DEOSSOPVSA-N 434.875 5.797 10 50 IKCA COc1ccc(OC)c(NC(=O)c2c(NCc3cccs3)sc3c2CCCC3)c1 8430088 NYTGVRSOTYTILW-UHFFFAOYSA-N 428.579 5.570 10 50 IKCA CCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC)cc2)SC1=S 19878948 OELSEMJJWCBMTR-RCCKNPSSSA-N 449.601 5.549 10 50 IKCA CCCCC1(Cc2cccc([N+](=O)[O-])c2)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O 2194449 WRVNPBBTMQTXBC-UHFFFAOYSA-N 443.503 5.309 10 50 IKCA Cc1ccccc1COc1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1 2852274 XRSRIVHDDIIKEX-HZHRSRAPSA-N 431.582 5.975 10 50 IKCA COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cc(Cl)cc(Cl)c2O)cc1 6925021 FZQZREQQVSMDCE-NFBKMPQASA-N 441.314 5.950 10 50 IKCA O=C(O)c1ccc(-c2ccc(/C=C3/SC(=S)N(c4cccc(Cl)c4)C3=O)o2)cc1 9296436 ZCWZIIGPOOJCMM-WOJGMQOQSA-N 441.917 5.704 10 50 IKCA COc1cc2c(cc1OC)CN(Cc1cc(-c3nc4ccccc4s3)ccc1O)CC2 12328846 ZAARZCNXLVXRNU-UHFFFAOYSA-N 432.545 5.244 10 50 IKCA O=C1/C(=C\c2cc(Br)ccc2F)SC(=S)N1c1ccc(Cl)cc1 15012071 JZRHQHNNWPQTAP-RIYZIHGNSA-N 428.735 5.647 10 50 IKCA COc1ccc(Br)cc1[C@@H]1Nc2ccc(Br)cc2[C@H]2C=CC[C@@H]21 35085258 LDCHGWAVJJMAPB-CKFHNAJUSA-N 435.159 6.047 10 50 IKCA CC[C@@H](Cc1ccc(N)cc1)C(=O)OCC(=O)N1c2ccccc2Sc2ccccc21 225613436 IXMBRVYIPSDCOS-SFHVURJKSA-N 432.545 5.210 10 50 IKCA CCN1C(=O)/C(=C\c2cccc(OC)c2OCCCOc2ccccc2C)SC1=S 6470640 CUZUKKDLBQTZKB-HMMYKYKNSA-N 443.590 5.073 10 50 IKCA COc1ccc(OC(=O)c2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)cc1 6973836 QXWAPBSDZQIUAR-UHFFFAOYSA-N 430.463 6.317 10 50 IKCA C[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S 9186616 BDGVJRKAMQMRAU-GNUZOCDUSA-N 436.514 5.817 10 50 IKCA Cc1ccc(NC(=O)CCCCCN2C(=O)/C(=C\c3cccs3)SC2=S)cc1 32694309 XCXJVQOKZVYAGE-NBVRZTHBSA-N 430.620 5.457 10 50 IKCA CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(S)=NC2=O)cc1C 1774105 ZQDJCWPDYLYZRD-STZFKDTASA-N 449.601 5.927 10 50 IKCA N=C1/C(=C/c2ccc(-c3ccccc3Cl)o2)C(=O)N=C2SC(Cc3ccccc3)=NN12 32640980 MAECJXAYRZJGMQ-IHVOSJJMSA-N 446.919 5.462 10 50 IKCA Cc1ccc(S(=O)(=O)Nc2cc(SCc3ccccc3)c(O)c3ccccc23)cc1 1120348 GXZYFDRDXGRSHJ-UHFFFAOYSA-N 435.570 5.947 10 50 IKCA COCCCN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)SC1=S 2682732 LKQAGUOYHQWJDW-YBEGLDIGSA-N 428.362 5.491 10 50 IKCA CCOc1c(Br)cc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3C=CC[C@H]32)cc1OC 8918634 PRULTHQJMVFROH-MDOVXXIYSA-N 445.313 5.591 10 50 IKCA COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCc1c(Cl)cccc1Cl 19799191 CEYZIIPSEISJBJ-RQZCQDPDSA-N 440.373 5.412 10 50 IKCA O=C1/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)SC(=S)N1Cc1ccco1 1142619 AXHILVQGQVJUSR-NDENLUEZSA-N 425.506 5.399 10 50 IKCA CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3c4ccccc4cc4ccccc34)C2=O)cc1 1225829 ZRQPVGJNZIISPD-LFVJCYFKSA-N 436.467 5.058 10 50 IKCA Cc1ccc(C(C)C)c(OCCOc2ccccc2/C=C2/SC(=S)N(C)C2=O)c1 2962518 WNHSRGBLHOLLBU-KGENOOAVSA-N 427.591 5.407 10 50 IKCA COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C)C2=O)cc1Cl 16730465 MQLYITGOFZOHGQ-WQRHYEAKSA-N 441.965 5.032 10 50 IKCA Oc1ccc(Cl)cc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc4ccccc4c3)=NN21 25577448 PWGZGULYMMNJJP-OZXSUGGESA-N 426.903 6.441 10 50 IKCA COc1ccc(N2CCN(C(=O)c3ccc(CSc4ccc(C)cc4)cc3)CC2)cc1 1064089 ABBRAVWRWAGWPQ-UHFFFAOYSA-N 432.589 5.258 10 50 IKCA O=C1/C(=C/c2ccc(OCc3ccccc3)cc2)SC(=S)N1CCc1ccccc1 2678179 HFLKDOVPUNPTFF-QJOMJCCJSA-N 431.582 5.710 10 50 IKCA O=C1N(Cc2c(Cl)cccc2Cl)c2ccccc2[C@]12NN=C(c1ccccc1)S2 2997109 NKCYQOVZEJRVCK-JOCHJYFZSA-N 440.355 5.391 10 50 IKCA Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cc(Br)ccc2O)cc1 8426561 CBEDKEKWWBISMC-NZQKXSOJSA-N 435.321 5.705 10 50 IKCA O=C1NC(=S)S/C1=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1Cl 22229146 QEVQIDLVUOPALG-NSIKDUERSA-N 430.765 5.715 10 50 IKCA Cc1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4cccc(Cl)c4)C(=S)N=C3O)c2C)cc1 16311359 JDOBOCKEVQXGQN-CIAFOILYSA-N 449.963 5.728 10 50 IKCA Cc1nc(SCC(=O)c2cc(C)n(-c3ccccc3)c2C)c2c3c(sc2n1)CCC3 632019 UQUKEWHCIVLVNK-UHFFFAOYSA-N 433.602 5.871 10 50 IKCA O=C1/C(=C\c2cccc(OCc3ccccc3F)c2)SC(=S)N1Cc1ccccc1 7018747 FCMHQKZUIPDBIS-HYARGMPZSA-N 435.545 5.806 10 50 IKCA Cc1ccccc1/N=N/c1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1C 17433803 SEHITBYIPQLLBG-CYYJNZCTSA-N 428.319 7.043 10 50 IKCA Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccccc3Cl)C2=O)cc1 1180067 QJIVTILTQDXALV-QGOAFFKASA-N 430.982 5.269 10 50 IKCA COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)SC2=S)cc1 2931361 JOQOMEBVDOAGQB-UNOMPAQXSA-N 438.486 5.269 10 50 IKCA COc1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc1Br 9296437 CCWRMQPQVYNIBS-OVCLIPMQSA-N 440.771 5.517 10 50 IKCA CC[C@@H](C)c1ccccc1OCCOc1ccc(/C=C2\SC(=S)NC2=O)cc1OC 15800272 IPDYYBGSVUHKOB-XWCAUFEOSA-N 443.590 5.155 10 50 IKCA Oc1ccc2c(oc3c(-c4ccc(OCCc5ccccc5)cc4)c4cn[nH]c4nc32)c1O 218427246 GMXJHEFIZAUOMW-UHFFFAOYSA-N 437.455 5.557 10 50 IKCA CCN(CC)Cc1c(O)ccc2c(=O)c(-c3ccc(Cl)cc3)c(C(F)(F)F)oc12 1747679 ZAJDKBKGHHABHW-UHFFFAOYSA-N 425.834 5.680 10 50 IKCA O=C1/C(=C/c2ccc(OCc3ccccc3[N+](=O)[O-])cc2)SC(=S)N1c1ccccc1 3001202 LSVMAMMMOIAVBQ-STZFKDTASA-N 448.525 5.580 10 50 IKCA O=C1/C(=C/c2ccccc2Br)SC(=S)N1CNc1ccccc1Cl 334161281 YAJHVMFHCQXDFS-DHDCSXOGSA-N 439.787 5.373 10 50 IKCA C[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)SC1=S 2678084 CKKSJKJMNJJDCK-MPGAHLTBSA-N 431.582 6.228 10 50 IKCA COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)o1 2993133 DPKNKWINZVMDSM-XDHOZWIPSA-N 444.534 5.397 10 50 IKCA CCOc1ccc(Br)c(/C=C2\C(=O)N(c3ccc4ccccc4c3)N=C2C)c1 15016363 HPMTXLLAMDODNT-STZFKDTASA-N 435.321 5.807 10 50 IKCA O=C1/C(=C\c2ccc(-c3ccccc3Cl)o2)SC(=S)N1CCc1ccccc1 7018329 ZSUKBSUZERVALZ-XSFVSMFZSA-N 425.962 6.044 10 50 IKCA O=C(CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1cccc(F)c1 1182873 LNOMMIXEZYCDCY-BOPFTXTBSA-N 434.945 5.099 10 50 IKCA CC[C@@H](C)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)SC1=S 9427720 IEMQXEAZDGYPHV-QAIWHXNASA-N 449.601 5.548 10 50 IKCA COc1ccc(CN2C(=O)/C(=C/c3cc(Cl)c(O)c(Cl)c3)SC2=S)cc1 1146357 HQOVHZNLEIIJOX-NVNXTCNLSA-N 426.346 5.109 10 50 IKCA CCN1C(=O)/C(=C\c2ccc(OCCCOc3ccc(C)cc3)c(OC)c2)SC1=S 6470508 DYFRNGCRAVRXOE-RCCKNPSSSA-N 443.590 5.073 10 50 IKCA CC(=O)N(/C=C/C=C/C=C1/SC(=S)N(CCc2ccccc2)C1=O)c1ccc(C)cc1 25760769 USEGQYVHHZLDQU-KMMKQASFSA-N 448.613 5.405 10 50 IKCA Cc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc4ccccc4c3)C2=O)cc1 13810145 RIZARXSIHWTTMI-STZFKDTASA-N 432.570 5.378 10 50 IKCA CC[C@@H](C)c1ccccc1OCCCOc1ccccc1/C=C1/SC(=S)N(C)C1=O 2882734 NWFZDUMETLFIEQ-FIOICXDGSA-N 441.618 5.879 10 50 IKCA Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccc4ccccc4c3)C2=O)cc1 1180758 KOXJPAPYSAWDQV-PXLXIMEGSA-N 446.597 5.768 10 50 IKCA O=C(N[C@H](c1ccccc1)c1c(O)ccc2ccccc12)c1ccccc1Br 1774439 OMMKZQDOMZFSRC-HSZRJFAPSA-N 432.317 5.827 10 50 IKCA CC[C@@H](C)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)SC1=S 2196304 AFDVSWRCFVOOCX-RHTHQAGFSA-N 433.602 5.847 10 50 IKCA O=C(/C=C/c1ccc(Cl)cc1)N1CCN(c2ccc(OCc3ccccc3)cc2)CC1 2794845 FHRIBSSBGKRIOY-OVCLIPMQSA-N 432.951 5.281 10 50 IKCA COc1ccc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)cc1Br 2813781 QKCSXZBFSRNHOW-WJDWOHSUSA-N 426.401 5.239 10 50 IKCA Oc1c([C@@H](Nc2ccccn2)c2cccc(Br)c2)cc(Cl)c2cccnc12 15016781 KNXAAGPALKKPMQ-IBGZPJMESA-N 440.728 5.953 10 50 IKCA O=C1NC(=S)S/C1=C/c1cn(CCCOc2ccc(Cl)cc2)c2ccccc12 2847960 PPPDRMYWVKHNBJ-XDHOZWIPSA-N 428.966 5.253 10 50 IKCA Cc1nc2cc(NC(=O)[C@H]3CC34CCN(Cc3cc(Cl)ccc3O)CC4)ccc2s1 11996201 FVSQBZJNHCRBLM-GOSISDBHSA-N 441.984 5.205 10 50 IKCA O=S(=O)(Nc1ccccc1F)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 12375654 HEQWCUKWRYJVJE-IMWIBFENSA-N 438.499 5.592 10 50 IKCA CC(C)=CC[C@@]1(Cl)C(=O)c2c(O)cc(O)cc2C(=O)[C@]1(O)CC1=C(C)CC(C)(C)CC1 2332924336 TYBKVNCIJNGZBZ-JWQCQUIFSA-N 446.971 5.459 10 50 IKCA CCN1C(c2ccccc2)=C(c2ccccc2)S/C1=C/C=C1/SC(=S)N(C)C1=O 19800027 ZDXRDUUIYLUIBE-JSAVKQRWSA-N 436.627 5.797 10 50 IKCA CCN1C(=O)/C(=C\c2ccccc2OCCCOc2cc(C)cc(C)c2)SC1=S 22257387 DNLARDRKCNVGKR-RCCKNPSSSA-N 427.591 5.372 10 50 IKCA O=C1N=C(N2CCN(c3cccc(Cl)c3)CC2)S/C1=C/c1ccc(-c2ccccc2)o1 1180920 KGDKTTBPYMAAMS-CJLVFECKSA-N 449.963 5.393 10 50 IKCA O=C(O)c1cccc(-c2ccc(/C=C3\SC(=O)N(c4ccc(Cl)cc4)C3=O)o2)c1 13602709 JYDPXCHFQCWBDP-WQRHYEAKSA-N 425.849 5.539 10 50 IKCA CCCC(=O)N[C@H](c1ccc(Cl)cc1Cl)c1cc([N+](=O)[O-])c2cccnc2c1O 16183928 RKMZHLGFWZGENP-GOSISDBHSA-N 434.279 5.161 10 50 IKCA CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2)SC1=S 2304717 MXTRLXSEGYWFDN-STZFKDTASA-N 449.601 5.548 10 50 IKCA CCCCC1(Cc2ccccc2Cl)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O 2996295 OBHZAGUJIMDLHA-UHFFFAOYSA-N 432.951 6.054 10 50 IKCA COc1ccc(N2C(=O)/C(=C\C(Br)=C\c3ccccc3)SC2=S)cc1 100528953 MABNLGLHERPBTB-HLXKFHDQSA-N 432.364 5.380 10 50 IKCA O=C(O)c1cccc(-c2ccc(/C=C3/SC(=S)N(c4cccc(Cl)c4)C3=O)o2)c1 1188666 LUWCUPRGFBFBEV-WOJGMQOQSA-N 441.917 5.704 10 50 IKCA CCOC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(Cc4ccco4)C3=O)o2)cc1 16267576 HAJGJJKGKRSJML-UNOMPAQXSA-N 439.514 5.118 10 50 IKCA Cc1[nH]c2ccccc2c1/C=C1\C(=O)N(c2cccc(C(F)(F)F)c2)C(=S)N=C1O 34234439 ZFOOMFXBWKABDE-YBEGLDIGSA-N 429.423 5.167 10 50 IKCA CC[C@@H](C)c1ccc(OCCCOc2ccccc2/C=C2/SC(=S)NC2=O)cc1 22257458 KRWCCPMCYWOMBG-GXPOEHQZSA-N 427.591 5.537 10 50 IKCA CC1=NN2C(=N)/C(=C\c3c(C)n(Cc4ccccc4F)c4ccc(C)cc34)C(=O)N=C2S1 22358319 BWAKLYSPMZXLNA-ULZOKRSMSA-N 445.523 5.085 10 50 IKCA CCOC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@H]1CN3[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@@H]21 239309230 HIMBFNXQVZJWIJ-PDLBJYQGSA-N 442.515 5.666 10 50 IKCA CC(=O)N[C@H](NC(=S)Nc1ccc(/N=N/c2ccccc2)cc1)C(Cl)(Cl)Cl 18168940 XGFZZURANXHOPT-UEMQUKQSSA-N 444.775 5.221 10 50 IKCA O=C1/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)SC(=S)N1Cc1ccccc1 17185869 VKFUPNLKOGRRAK-YBFXNURJSA-N 446.380 6.655 10 50 IKCA O=C(c1ccccc1)n1nc(-c2ccccc2)c2c(Cl)cc(Cl)c-2c1-c1ccccc1 22014406 QFISHTOQZKRUGP-UHFFFAOYSA-N 443.333 7.317 10 50 IKCA biogenic Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2ccc(F)cc2)N3)cc1C 226897595 SHAOQNRSKRYIJH-JQYIIUTOSA-N 448.563 6.070 10 50 IKCA COc1ccc2c(c1)S[C@@H](c1ccc(F)cc1F)CCN2Cc1ccc(O)c(OC)c1 14883874 NBYIWCTZNCHCFB-HSZRJFAPSA-N 443.515 5.931 10 50 IKCA Cc1cccc(NC(=O)CCCCCN2C(=O)/C(=C\c3cccs3)SC2=S)c1 32694308 OCZZGCIRJMKUMG-NBVRZTHBSA-N 430.620 5.457 10 50 IKCA Cc1cc2nnc(SCC(=O)c3cc(C)n(-c4ccccc4)c3C)n2c2ccccc12 628670 UCNFGECQBGDBLL-UHFFFAOYSA-N 426.545 5.573 10 50 IKCA O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2 22146463 XKVSHNLQIOZNHH-LGVFNWMJSA-N 445.906 6.327 10 50 IKCA O=C1N=C(O)/C(=C\c2ccccc2OCc2ccccc2)C(=O)N1c1cccc(Cl)c1 2968885 JEJMBQUOEHYKKD-DEDYPNTBSA-N 432.863 5.426 10 50 IKCA CCCC1=NN2C(=N)/C(=C/c3ccccc3OCc3ccccc3Cl)C(=O)N=C2S1 8453012 HOJCJOBOSVMXBO-YXBAXSDQSA-N 438.940 5.338 10 50 IKCA Cc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ccc(F)c(Cl)c3)C2=O)cc1 1182829 MYTXWHWPCPVQBJ-LICLKQGHSA-N 434.945 5.018 10 50 IKCA COc1ccc2c(c1)S[C@H](c1ccccc1F)CCN2Cc1cccc(OC)c1O 12190138 OLBAUTLWLYXXIR-QFIPXVFZSA-N 425.525 5.792 10 50 IKCA COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cc(Cl)cc(Cl)c2O)cc1 6924987 FZQZREQQVSMDCE-NZQKXSOJSA-N 441.314 5.950 10 50 IKCA Cc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)C2=O)cc1C 15799807 SJUXJWFFNMLFMB-NDENLUEZSA-N 445.431 5.287 10 50 IKCA CC[C@H](C)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccs2)SC1=S 1164350 VFQGMSDMQUARJT-HIXWQLQUSA-N 425.604 5.601 10 50 IKCA COc1ccc2c(c1)c(/C=C/c1nc3ccccc3c(=O)n1CCc1ccccc1)c(C)n2C 16393192 FDOXUSVDCROWCA-JQIJEIRASA-N 449.554 5.618 10 50 IKCA O=C1/C(=C/c2ccccc2Br)SC(=S)N1CNc1ccc(Cl)cc1 334160400 DAEGPQMMZCKOBM-DHDCSXOGSA-N 439.787 5.373 10 50 IKCA O=S(=O)(Nc1cc(SCc2ccccc2)c(O)c2ccccc12)c1cccs1 2855923 CRPBNTQHISTAOY-UHFFFAOYSA-N 427.572 5.700 10 50 IKCA Cc1cc(I)cc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@@H]21 1196171 XHUJUZMMNHEFPO-JTDSTZFVSA-N 432.261 5.334 10 50 IKCA CCCCN(C)Cc1c(O)ccc2c(=O)c(-c3ccccc3OC)c(C(F)(F)F)oc12 1782080 OGSACWKOXLQKCZ-UHFFFAOYSA-N 435.442 5.425 10 50 IKCA biogenic O=C(Oc1cccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)c1)c1ccco1 2904584 DJDRIORDSPGRII-WOJGMQOQSA-N 441.917 5.558 10 50 IKCA COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccccc1C 2864070 QZBGGTMIFOPGAN-HZHRSRAPSA-N 447.581 5.988 10 50 IKCA O=C1/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)SC(=S)N1C1CCCCC1 2997476 YUKGXGUNPZZWHG-WOJGMQOQSA-N 448.953 6.042 10 50 IKCA CC[C@@H](C)c1ccc(OCCOc2ccc(Cl)cc2/C=C2\SC(=S)NC2=O)cc1 22229060 ZPEQWNIRVMHDFA-KELUXRKGSA-N 448.009 5.800 10 50 IKCA Oc1ccc(Br)cc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccc(F)cc3)=NN21 25572796 IEFJFGHRKIGBDM-DENIHFKCSA-N 439.284 5.536 10 50 IKCA CC(C)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccs2)SC1=S 1446654 NYFJDBJOFOZYCF-WQRHYEAKSA-N 425.604 5.458 10 50 IKCA O=C1/C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)SC(=S)N1C1CCCCC1 2992031 CVRAWIAYISNASN-SFQUDFHCSA-N 436.023 6.618 10 50 IKCA CCN1C(=O)/C(=C\c2cccc(OCCCOc3ccc(Cl)c(C)c3)c2)SC1=S 6470607 CSDIKXULVRPURC-XSFVSMFZSA-N 448.009 5.717 10 50 IKCA O=C1N=C(N2C=CC(=C(O)c3ccccc3)C=C2)/C(=C/N=NC(=O)c2cccnc2)S1 334157344 KCAUQVXILGURPS-OMDQEHPVSA-N 429.461 5.093 10 50 IKCA CC[C@@H](C1=NN2C(=N)/C(=C\c3c(C)[nH]c4ccc(C)cc34)C(=O)N=C2S1)c1ccccc1 16265720 DAWADMWMKMKANI-LCKRUDEVSA-N 441.560 5.598 10 50 IKCA CCOC(=O)[C@H](Oc1ccc2c(-c3ccc(OC)cc3)cc(=O)oc2c1)c1ccccc1 10212899 OQDAPAQAWBCPJQ-RUZDIDTESA-N 430.456 5.152 10 50 IKCA biogenic COc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 13892712 FFFLILXCLACWJF-CXUHLZMHSA-N 440.373 5.412 10 50 IKCA COc1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)SC2=S)cc1 6645264 MNPUJEFJBXTBHX-XDHOZWIPSA-N 438.486 5.269 10 50 IKCA CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2Cc2ccccc2Cl)cc1 57316911 FHTHNPSINGICMV-DMDYGQEQSA-N 427.032 6.055 10 50 IKCA CCN1C(=O)/C(=C\c2ccc(OCCCOc3cccc(C)c3C)cc2)SC1=S 6470576 PVKOVAJZIZJGBS-RCCKNPSSSA-N 427.591 5.372 10 50 IKCA C/C(Nc1cc(C)ccc1O)=C1\C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 100094397 KUPGGBATCQZUCK-CJLVFECKSA-N 440.528 5.447 10 50 IKCA Clc1cccc([C@@H]2[C@@H]3CC=C[C@@H]3c3c4c(cc5ccccc35)[C@H]3C=CC[C@@H]3CN42)c1Cl 250509720 OOLWDDHOESJTDM-XYAFAWIUSA-N 444.405 8.041 10 50 IKCA COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)SC2=S)cc1 2067279 CQYHMXMCNYOEQV-UNOMPAQXSA-N 427.934 6.014 10 50 IKCA Cc1[nH]c2ccccc2c1/C=C1\C(=N)N2N=C(C34CC5CC(CC(C5)C3)C4)SC2=NC1=O 16267200 ZYWQBVJYVXRYFH-NJPXYHLQSA-N 443.576 5.312 10 50 IKCA CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1OCc1ccccc1)N2 111442469 BLUIHVLQEBVNNN-VHSZZVNMSA-N 425.528 6.269 10 50 IKCA CCCC[C@H](CC)CN1C(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S 2262478 GOKGPACYOOXYIY-HYTQYMIGSA-N 444.578 6.272 10 50 IKCA CCn1nc(C)c(CN2CC[C@@H](c3ccc(F)cc3F)Sc3cc(OC)ccc32)c1C 12508864 DDYPYMGIHJRTRZ-QHCPKHFHSA-N 443.563 6.050 10 50 IKCA COc1ccc(/C=C2\SC(=S)N(CCCc3ccccc3)C2=O)cc1Br 2815567 QCEYESVIYABBCX-AQTBWJFISA-N 448.407 5.292 10 50 IKCA COc1ccc(O)c(CN2CCOc3c(cc(-c4csc5ccccc45)cc3OC)C2)c1 14979480 CDEBUQZZZUFMFL-UHFFFAOYSA-N 447.556 5.686 10 50 IKCA O=C1/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)SC(=S)N1Cc1ccco1 1136675 TYQHIRNQKZWGKC-YBEGLDIGSA-N 433.963 6.079 10 50 IKCA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C)C2=O)cc1C 2304745 UPZJUEQHRNDJAY-STZFKDTASA-N 449.601 5.468 10 50 IKCA COc1cc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3C=CC[C@@H]32)cc(Br)c1OC 32192958 QHCYDFLRIGCOKI-NJSLBKSFSA-N 431.286 5.201 10 50 IKCA Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)N[C@@H](C)c2ccc3ccccc3c2)cc1 2325702157 GVHCHZGWULTIPJ-FQEVSTJZSA-N 426.516 5.282 10 50 IKCA CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)cc(Cl)c1OCc1cccc(C)c1 13893507 BGVZPIIWHMSQSH-XDHOZWIPSA-N 448.009 5.847 10 50 IKCA Cc1ccc2[nH]c(C)c(/C=C3\SC(=S)N(c4ccc(Cl)cc4Cl)C3=O)c2c1 16193143 AAEUOASCCBQFAU-NVMNQCDNSA-N 433.385 6.497 10 50 IKCA COc1ccc2c(c1)c(=O)oc1cc(OCC(=O)c3ccc(Cl)c(Cl)c3)ccc12 1110923 KQIOVPRJEXXIDU-UHFFFAOYSA-N 429.255 5.523 10 50 IKCA C[C@H](Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)C(=O)OCc1ccccc1Cl 1778907 STBUKZXZHVCMNE-INIZCTEOSA-N 434.875 5.624 10 50 IKCA Nc1ccc2cc(S(=O)(=O)O)cc(O)c2c1/N=N/c1ccc(Cl)cc1C(F)(F)F 38609739 QUNVBZBEOIMRIE-WCWDXBQESA-N 445.806 5.462 10 50 IKCA CCN(CC)c1ccc(/C=C2/SC(=O)N(CNc3ccc(OC)c(Cl)c3)C2=O)cc1 2120007 GVFZCKAOOZEOAR-UDWIEESQSA-N 445.972 5.301 10 50 IKCA CCN1C(=O)/C(=C\c2ccc(OCCCOc3cc(C)cc(C)c3)cc2)SC1=S 6470564 VTSOSJROQFYEQV-RCCKNPSSSA-N 427.591 5.372 10 50 IKCA O=C1/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)SC(=S)N1c1ccccc1 16488266 DOZBGCDJIPROAT-STZFKDTASA-N 448.525 5.580 10 50 IKCA COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C/Nc2ccc(Cl)cc2)cc1 100424599 IDMDGOKZBTWRNC-KGENOOAVSA-N 448.866 5.004 10 50 IKCA O=C1c2ccccc2-c2onc3c(Sc4ccccc4)cc(Sc4ccccc4)c1c23 2023349 PHCKIFWWQJVMER-UHFFFAOYSA-N 437.545 7.342 10 50 IKCA CC(C)c1ccc([C@H](NC(=O)C2CCCCC2)c2cc([N+](=O)[O-])c3cccnc3c2O)cc1 2812551 UQYFYFTUMWJLAY-QHCPKHFHSA-N 447.535 5.758 10 50 IKCA O=C(O)CN1C(=O)/C(=C\c2ccc(-c3cc(Cl)c(Cl)cc3Cl)o2)SC1=S 2832995 QJOKGSGICJCVFI-QLKAYGNNSA-N 448.736 5.193 10 50 IKCA CCN(CC)c1ccc2c(c1)OC1=N[C@@H](c3ccc(O)cc3)n3c(nc4ccccc43)C1=C2 9275522 HOJRTBOZQZXWRE-RUZDIDTESA-N 436.515 5.480 10 50 IKCA Cc1cc(/C=C2/C(=O)N(c3cccc(Cl)c3)C(=S)N=C2O)c(C)n1-c1ccccc1 16268602 VOGXHOXMOYGUMP-UDWIEESQSA-N 435.936 5.419 10 50 IKCA Cc1cccc(OCCCOc2ccc(Cl)cc2/C=C2/SC(=S)N(C)C2=O)c1C 22257382 MHRWHNPQNPPFFA-DEDYPNTBSA-N 448.009 5.636 10 50 IKCA COc1cccc(/C=C2/SC(=S)N(C)C2=O)c1OCCCOc1ccccc1Cl 22257574 NJQVLJSEGUMTIU-QGOAFFKASA-N 449.981 5.028 10 50 IKCA Oc1ccc(Cl)cc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccc4ccccc4c3)=NN21 25577465 PWGZGULYMMNJJP-ZEQKJWHPSA-N 426.903 6.441 10 50 IKCA COc1ccc(-n2c(C)cc(/C=C3/SC(=S)N(C4CCCCC4)C3=O)c2C)cc1 1151146 QBJMZHRUZBMGJF-KGENOOAVSA-N 426.607 5.637 10 50 IKCA CN(C)c1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(Br)cc2)cc1 9783277 BTODNBZFLULQCB-CXUHLZMHSA-N 446.348 5.385 10 50 IKCA Cc1ccc([C@@H]2C(/C=C3\SC(=S)NC3=O)=C(c3cccs3)Oc3ccccc32)cc1 13304036 XRSJPTLZINOZRY-MSTPFNHUSA-N 447.606 6.024 10 50 IKCA O=C1/C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)SC(=S)N1c1cccc(F)c1 6974524 NRCMVKBBCBIXSA-GZTJUZNOSA-N 447.965 6.629 10 50 IKCA O=C1/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC(=S)N1Cc1ccccc1 13591036 KLNVGBWTPQFILY-YBFXNURJSA-N 446.380 6.655 10 50 IKCA CC[C@@H](C1=NN2C(=N)/C(=C\c3c(C)[nH]c4ccccc34)C(=O)N=C2S1)c1ccccc1 16265577 XUYCLCKLZSGKBH-HGOPDHRWSA-N 427.533 5.289 10 50 IKCA O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2cccs2)SC(=S)N1Cc1ccco1 19800503 NLPGGHIKSQJDGH-XDHOZWIPSA-N 449.582 5.595 10 50 IKCA CCCCN1C(=O)/C(=C(/C=C2/Sc3ccc(OC)cc3N2CC)CC)SC1=S 19912960 DKZRHCIPNPEFTO-KQPRZUBISA-N 434.652 5.793 10 50 IKCA CCn1nc(C)c(CN2CC[C@H](c3ccc(F)cc3F)Sc3cc(OC)ccc32)c1C 12508874 DDYPYMGIHJRTRZ-HSZRJFAPSA-N 443.563 6.050 10 50 IKCA O=C(O)c1ccc(-c2ccc(/C=C3\SC(=S)N(c4ccc(F)cc4)C3=O)o2)cc1 1159271 NTYODGZVGDTGBX-WQRHYEAKSA-N 425.462 5.190 10 50 IKCA O=C(Nc1nc(-c2ccccc2Cl)cs1)c1ccc(C(=O)C(=O)c2ccccc2)cc1 1791126 HUIBJYGQEYETHS-UHFFFAOYSA-N 446.915 5.781 10 50 IKCA Cc1ccc(Nc2nc(-c3ccccc3)c3cc(C)ccc3n2)c(C(=O)c2ccccc2)c1 2063487 LPCLMKYQAUSULU-UHFFFAOYSA-N 429.523 6.888 10 50 IKCA COc1ccc(-n2c(C)cc(/C=C3\SC(=S)N(c4ccc(F)cc4)C3=O)c2C)cc1 22309698 XUJMTBBABOPJRM-BKUYFWCQSA-N 438.549 5.648 10 50 IKCA COc1cc(/C=C2/C(=O)N(c3ccc(C)cc3)N=C2C)c(Br)cc1OC(C)C 13914244 CPRYREMEAKAQNP-VCHYOVAHSA-N 443.341 5.359 10 50 IKCA Cc1cc(N2CCCCC2)ccc1/C=C1/SC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O 2991994 CLDABAKPKPXCRA-KGENOOAVSA-N 437.521 5.130 10 50 IKCA O=C(CCc1ccccc1)N[C@@H](c1ccc2c(c1)OCO2)c1c(O)ccc2ccccc12 801043 BWXIBDZNZFVSNI-MHZLTWQESA-N 425.484 5.113 10 50 IKCA O=C(N[C@@H](/C=C/c1ccccc1)c1cc([N+](=O)[O-])c2cccnc2c1O)C1CCCCC1 2488184 IQFVNDZPBHFOQT-ARKBFRDHSA-N 431.492 5.300 10 50 IKCA O=C1/C(=C\c2c(Cl)cc(Cl)c(O)c2Cl)SC(=S)N1Cc1ccccc1 9310300 XOXDRGCURUGCDJ-AWNIVKPZSA-N 430.765 5.754 10 50 IKCA CCOc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4)o3)SC2=S)cc1 33154771 VNBOELHNVVAFRK-DEDYPNTBSA-N 441.961 6.405 10 50 IKCA O=C(CCc1ccccc1)N[C@H](c1cccc([N+](=O)[O-])c1)c1c(O)ccc2ccccc12 801035 MLYRZBIFYSWKHF-AREMUKBSSA-N 426.472 5.292 10 50 IKCA Cc1cc(C)cc(OCCOc2ccc(Cl)cc2/C=C2\SC(=S)N(C)C2=O)c1 15800419 LEMXZJNINXTYGG-UNOMPAQXSA-N 433.982 5.246 10 50 IKCA COc1ccc(OC)c(/C=C2\SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)c1 2783479 IKBDVALKASCZIR-JCMHNJIXSA-N 449.553 5.902 10 50 IKCA Cc1ccccc1OCCOc1cccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c1 2993882 XVDGEBQVCYKTNG-QJOMJCCJSA-N 447.581 5.859 10 50 IKCA O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2)N1CCCCC1 11859507 JYWBBHQMIZZTQG-PNCHPQGNSA-N 427.375 6.446 10 50 IKCA CCN1C(=O)/C(=C/c2ccccc2OCc2ccc(Br)cc2)SC1=S 1163140 DATUENAMBLGWJT-BOPFTXTBSA-N 434.380 5.249 10 50 IKCA CCc1ccccc1NC(=O)CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S 1182667 KDUFMVAFFJQHFS-RGEXLXHISA-N 445.009 5.523 10 50 IKCA CCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)SC1=S 19879063 ZRAWZKCQOCJZCW-XSFVSMFZSA-N 437.565 5.680 10 50 IKCA COc1ccc(Br)cc1[C@@H]1Nc2ccc(Br)cc2[C@H]2C=CC[C@H]21 20598099 LDCHGWAVJJMAPB-IQUTYRLHSA-N 435.159 6.047 10 50 IKCA CCOC(=O)[C@H](Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1CC)c1ccccc1 2905911 GZNJRBHOGAYPII-AREMUKBSSA-N 428.484 5.706 10 50 IKCA COc1cc([C@@H](Nc2cccc(C)n2)c2ccc3ccc(C)nc3c2O)cc(OC)c1OC 4164730 PKONGJVFAYPTNC-HSZRJFAPSA-N 445.519 5.180 10 50 IKCA biogenic CC1=NN(c2ccccc2)C(=O)/C1=C(/C=C/c1cc(Cl)ccc1O)c1ccc(C)cc1 8435358 GTCRVSFIFHERSR-QULUYXLPSA-N 428.919 6.244 10 50 IKCA COc1ccc2c(c1)S[C@@H](c1cc3c(cc1Cl)OCO3)CCN2Cc1cccnc1 12245736 MBAWEEDPUGLKCY-JOCHJYFZSA-N 440.952 5.716 10 50 IKCA O=C1OC(c2ccc(Br)cc2)=C/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 2936554 JGMZPTQCKWRIRI-PTNGSMBKSA-N 438.233 5.599 10 50 IKCA Cc1ccc(Nc2cc(NCc3ccccc3)c(N)c3c2C(=O)c2ccccc2C3=O)cc1 12461666 HGJFDBQZGSPLBF-UHFFFAOYSA-N 433.511 5.708 10 50 IKCA CCn1cc(CN2CC[C@H](c3ccc(F)c(F)c3)Sc3cc(OC)ccc32)c(C)n1 12471179 JXCJWHCBRWHISB-JOCHJYFZSA-N 429.536 5.742 10 50 IKCA C[C@@H]1CCCCN1Cc1c(O)ccc2c(=O)c(-c3ccc(Br)cc3)coc12 9075649 IGVTUOUWEWKZBH-CQSZACIVSA-N 428.326 5.303 10 50 IKCA biogenic O=C1/C(=C/c2ccccc2OCc2cccc(F)c2)SC(=S)N1Cc1cccnc1 15010884 SMXIREBSUUXNOS-MTJSOVHGSA-N 436.533 5.201 10 50 IKCA CC(C)c1ccc([C@@H](NC(=O)C2CCCCC2)c2cc([N+](=O)[O-])c3cccnc3c2O)cc1 2812552 UQYFYFTUMWJLAY-HSZRJFAPSA-N 447.535 5.758 10 50 IKCA O=C1/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(C(F)(F)F)=NN1c1ccccc1 16183176 GQTWKJQJEDHWNW-ATVHPVEESA-N 427.338 5.203 10 50 IKCA O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2Cl)o1 2801215 RFQLTEGSLXWXMI-RVDMUPIBSA-N 443.311 5.085 10 50 IKCA COc1ccc([C@H](Nc2cccc(C)n2)c2ccc3ccc(C)nc3c2O)c(OC)c1OC 18169871 PWOPJJWARHVWIL-HSZRJFAPSA-N 445.519 5.180 10 50 IKCA Cc1ccccc1Cn1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c2ccccc21 22229243 PLTITCTVYVARHV-IWIPYMOSSA-N 440.593 6.404 10 50 IKCA O=C(Oc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1)c1ccccc1 2822696 UYLMYXDGBGSVLE-QNGOZBTKSA-N 431.538 5.307 10 50 IKCA O=C1c2ccccc2C(=O)C1(Cc1ccccc1Br)c1ccc(Cl)cc1 2994791 RHGWXBNAPUJDDP-UHFFFAOYSA-N 425.709 5.662 10 50 IKCA O=C(O)CCCCCCCCCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S 8765660 FACDRFNHXYRDMQ-SDXDJHTJSA-N 440.030 6.137 10 50 IKCA CN(C)c1ccc(/C=C/c2nc3ccc(Br)cc3c(=O)n2-c2ccccc2)cc1 9427320 GIRLKHLXEDNRHM-XNTDXEJSSA-N 446.348 5.385 10 50 IKCA CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1OCc1ccccc1)N2 2075832 BLUIHVLQEBVNNN-LOYIFYEOSA-N 425.528 6.269 10 50 IKCA CC(C)CN(Cc1c(O)ccc2cc(-c3nc4ccccc4n3C)c(=O)oc12)CC(C)C 8902464 FHCOREAFQINNRA-UHFFFAOYSA-N 433.552 5.166 10 50 IKCA biogenic CC[C@H]1CCCCN1C(=O)CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S 1179767 DXISVFFPTQYAHX-IYWFSZBXSA-N 437.030 5.113 10 50 IKCA O=C1c2ccccc2C(=O)c2c(NC(=O)[C@@H]3CC3(c3ccccc3)c3ccccc3)cccc21 8955660 XGCPTORZWVSKKN-DEOSSOPVSA-N 443.502 5.407 10 50 IKCA COCCN1C(=O)/C(=C/c2ccc(OCc3cccc4ccccc34)cc2)SC1=S 9295916 UAYUBPZFFWKZGM-JCMHNJIXSA-N 435.570 5.266 10 50 IKCA Oc1ccc(Cl)cc1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc4ccccc4c3)=NN21 25577454 PWGZGULYMMNJJP-JYFHCDHNSA-N 426.903 6.441 10 50 IKCA CCOc1ccc(C2=NN3[C@H](c4ccc(N(C)C)cc4)Oc4ccc(Cl)cc4[C@H]3C2)cc1 248022801 GACKBCGBQGSCSV-RSXGOPAZSA-N 447.966 6.047 10 50 IKCA COc1ccc2c(c1)S[C@@H](c1ccccc1F)CCN2Cc1cccc(OC)c1O 12190139 OLBAUTLWLYXXIR-JOCHJYFZSA-N 425.525 5.792 10 50 IKCA COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)N(Cc1cccc(OC)c1O)CC2 22023187 HBVYDHUANVAJAP-DEOSSOPVSA-N 439.939 5.219 10 50 IKCA CCOc1cc(OCC)c(/C=C2\SC(=S)N(CC(C)C)C2=O)cc1Br 1139771 DLKPFXZZIFFJPV-PXNMLYILSA-N 444.416 5.104 10 50 IKCA CCCCN1C(=O)/C(=C\c2cc(-c3ccc(C)cc3)nn2-c2ccccc2)SC1=S 4820504 CNTVTTQVGWKFQT-CJLVFECKSA-N 433.602 5.849 10 50 IKCA O=C1NC(=S)S/C1=C\c1ccc(OC(=O)c2ccc(Cl)cc2Cl)c(Cl)c1 16247112 BZEKPNOKJSPVLP-NSIKDUERSA-N 444.748 5.355 10 50 IKCA COc1cc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OC 4172159 QHCYDFLRIGCOKI-TYILLQQXSA-N 431.286 5.201 10 50 IKCA biogenic COc1ccccc1-n1c(C)cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)c1C 22309544 CHOWGQFEZIFPKN-BKUYFWCQSA-N 438.549 5.648 10 50 IKCA CC(C)c1sc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)nc1-c1ccccc1 1875299071 XXUJXBBJTNGYEE-UHFFFAOYSA-N 442.484 5.633 10 50 IKCA O=C1/C(=C/c2ccc(-c3ccc(Br)cc3)o2)SC(=S)N1Cc1ccco1 2254515 YEMXYPRVNUXRRC-YVLHZVERSA-N 446.347 5.704 10 50 IKCA O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccccc2)SC(=S)N1Cc1ccco1 2533180 YVTNONDSFJWRGA-STZFKDTASA-N 443.553 5.534 10 50 IKCA CC(C)c1ccc(S(=O)(=O)Nc2ccc(O)c(-c3c(O)ccc4ccccc34)c2)cc1 944547 HJLUHGHXBHRWLU-UHFFFAOYSA-N 433.529 5.842 10 50 IKCA COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 9076606 DDCRWQPCZQRMBM-RNHFSVANSA-N 443.474 5.658 10 50 IKCA CCOC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N3C[C@H]1CC=C[C@@H]21 101123333 MTOGYYHZWXZMBK-PLNGWDEDSA-N 442.515 5.666 10 50 IKCA CN1C(=O)/C(=C\c2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)o2)SC1=S 9310246 KGECSSWYBCWAOB-NTUHNPAUSA-N 437.386 5.815 10 50 IKCA O=C1/C(=C\c2cc([N+](=O)[O-])ccc2Cl)SC(=S)N1c1cccc(C(F)(F)F)c1 9310407 HFKPMMGRLIISID-VGOFMYFVSA-N 444.843 5.673 10 50 IKCA CCOC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(c4ccc(C)cc4)C3=O)o2)cc1 12629385 XKRYKTZYVVIBOF-STZFKDTASA-N 449.553 5.838 10 50 IKCA COc1cc(/C=C2\SC(=S)NC2=O)ccc1OCCSc1ccc(Cl)cc1 2994002 QMKOTDCLNMEGRK-BOPFTXTBSA-N 437.995 5.009 10 50 IKCA CC(C)CN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)SC1=S 25581383 DONWYLRIMUCXPW-UDWIEESQSA-N 437.565 5.536 10 50 IKCA Cc1ncc(-c2ccc(F)cc2)c([C@H]2CCCN(Cc3c(O)ccc4ccccc34)C2)n1 20995791 WLVCZSHPOQCQBR-NRFANRHFSA-N 427.523 5.830 10 50 IKCA O=C(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2)N1CCCCC1 1019240 JYWBBHQMIZZTQG-STSQHVNTSA-N 427.375 6.446 10 50 IKCA COc1ccccc1/N=N/c1cc(C(=O)Nc2ccccc2N(C)C)c(O)c2ccccc12 4044757 RBSAVUGHEPKJST-ZQHSETAFSA-N 440.503 6.288 10 50 IKCA Oc1c([C@@H](Nc2ccccn2)c2ccccc2Br)cc(Cl)c2cccnc12 6457188 ZGPXGWJYXQSINJ-IBGZPJMESA-N 440.728 5.953 10 50 IKCA O=C1/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC(=S)N1Cc1ccco1 8425031 LIVFHSQJGKRWAA-RQZCQDPDSA-N 436.341 6.248 10 50 IKCA CCOc1ccc(N2C(=O)/C(=C\c3cccc(Oc4ccccc4)c3)SC2=S)cc1 33908244 GBUGGIVGXOSDSB-CJLVFECKSA-N 433.554 6.283 10 50 IKCA O=C1/C(=C/c2ccccc2OCc2ccc(Cl)cc2)SC(=S)N1Cc1ccco1 1137062 MGSBJBCJPWKIHT-NDENLUEZSA-N 441.961 5.913 10 50 IKCA Cc1cc(NC(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccc(F)cc2)N3)ccc1[N+](=O)[O-] 39936369 NAULBUWJGXCSOS-CZSZKKDXSA-N 443.478 6.121 10 50 IKCA O=C1c2cc3ccccc3cc2C(=O)[C@H]2C[C@H]3C(=O)c4cc5ccccc5cc4C(=O)[C@@H]3C[C@H]12 101094108 RSFWPFAWCIUFIO-YOXCBORPSA-N 444.486 5.710 10 50 IKCA Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cc(Br)ccc2O)cc1 239284798 CBEDKEKWWBISMC-REWPJTCUSA-N 435.321 5.705 10 50 IKCA COc1ccc(C2=NN3[C@H](c4ccc(N(C)C)cc4)Oc4ccc(Cl)cc4[C@H]3C2)cc1 248018060 DMXOQHWJPHAHJT-NOZRDPDXSA-N 433.939 5.657 10 50 IKCA CC[C@@H](C)N1C(=O)/C(=C/c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)SC1=S 2812003 KCNTUXAEUPNTTH-FDIDITGRSA-N 431.966 5.559 10 50 IKCA Cc1ccc(C(C)C)cc1-c1nn(-c2ccccc2)cc1/C=C1/SC(=S)N(C)C1=O 19912640 WOXCKSZFIPNRNQ-FYJGNVAPSA-N 433.602 5.802 10 50 IKCA CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\Nc1nnc(-c2ccc(Cl)cc2Cl)s1 100502623 NXVMSMNOTHUIBK-YBEGLDIGSA-N 444.347 5.539 10 50 IKCA Cc1ccccc1NC(=O)CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S 32694307 IASULAINUXJMIE-NBVRZTHBSA-N 430.620 5.457 10 50 IKCA CCOc1ccc(NC(=O)c2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)cc1 13562588 CBNWQFISHLOIQC-UHFFFAOYSA-N 443.506 6.740 10 50 IKCA COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCc1ccccc1 16214831 BORPCIJAFXTYEJ-HAHDFKILSA-N 447.581 5.676 10 50 IKCA CC[C@@H](C)N1C(=O)/C(=C2/C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)SC1=S 2672281 FPHOLZDVSPTEKR-LTFJSZEESA-N 442.993 5.257 10 50 IKCA Cc1ccc(OCCOc2ccc(Cl)cc2/C=C2\SC(=S)N(C)C2=O)c(C)c1 15800435 JOQWVSUTVRPHIT-UNOMPAQXSA-N 433.982 5.246 10 50 IKCA COc1ccc(C(=O)N[C@@H](c2ccccc2OC)c2cc(Cl)c3cccnc3c2O)cc1 20755881 BONUUJAVGIBKMT-QFIPXVFZSA-N 448.906 5.130 10 50 IKCA biogenic CCOc1cccc(CN(Cc2cccnc2)C[C@H]2CCCN(C3CCCCC3)C2)c1O 55060502 MVACPMURBDJARJ-HSZRJFAPSA-N 437.628 5.233 10 50 IKCA Cc1ccc(COc2ccccc2/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc1 16192729 BYKATEHCEXBURN-HMAPJEAMSA-N 435.545 6.119 10 50 IKCA Cc1ccc(CN2C(=O)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)SC2=S)cc1 2811696 YNHKXMBTNXWDCZ-NDENLUEZSA-N 425.962 6.310 10 50 IKCA COc1ccc(S(=O)(=O)Nc2cc(Sc3ccccc3)c(O)c3ccccc23)cc1 2858818 ZYTRVLYRUQUXQS-UHFFFAOYSA-N 437.542 5.506 10 50 IKCA COc1cc(/C=C2/SC(=S)NC2=O)cc(Cl)c1OCc1cccc2ccccc12 13941729 DMBKIXDEHSKJIA-YBFXNURJSA-N 441.961 5.570 10 50 IKCA Cc1cc2nnc(SCC(=O)c3cc(C)n(-c4ccccc4F)c3C)n2c2ccccc12 632017 OMVXTNUQIOUWAK-UHFFFAOYSA-N 444.535 5.713 10 50 IKCA Cc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccccc4F)cc3)SC2=S)cc1 3000352 NKMVBGSXMXOQSE-HMAPJEAMSA-N 435.545 6.119 10 50 IKCA CC[C@H](C)c1ccccc1OCCCOc1ccc(/C=C2/SC(=S)NC2=O)cc1 22257444 IZBPVWGQQHMGQH-WASCAKKMSA-N 427.591 5.537 10 50 IKCA COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1)N2 1157146 QMJYALQHUQUUHD-OHUGHZGNSA-N 425.484 5.519 10 50 IKCA COc1cc(/C=C2/C(=O)N(c3ccc(Br)cc3)N=C2C)ccc1OCC(C)C 96488332 MLIMZBDVEUSIQH-YBFXNURJSA-N 443.341 5.299 10 50 IKCA COC(=O)c1ccccc1-c1ccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)o1 15012073 ZNJKZJQBERNVRZ-CPNJWEJPSA-N 427.547 5.267 10 50 IKCA O=[N+]([O-])c1ccc([C@@H]2[C@@H]3CC=C[C@@H]3c3cc(Br)cc4c3N2C[C@@H]2CC=C[C@@H]42)cc1 222266791 VUGPWWVPSRHYQI-QCUMIWAISA-N 449.348 6.252 10 50 IKCA CCCCOC(=O)c1ccc(-c2ccc(C=C3C(=O)N(c4ccccc4)N=C3C)o2)cc1 1857795442 AFTNTXWVUHNCCI-UHFFFAOYSA-N 428.488 5.710 10 50 IKCA Cc1ccccc1[C@H]1C(/C=C2\SC(=S)NC2=O)=C(c2ccccc2)Oc2ccccc21 13305625 FPYPMIFTPVAAGV-UAPYWLNTSA-N 441.577 5.962 10 50 IKCA O=C1/C(=C/c2cccc(Cl)c2)SC(=S)N1CNc1cc(Cl)ccc1Cl 334161060 RVIJCGYYOPYVBA-CHHVJCJISA-N 429.781 5.918 10 50 IKCA CCOc1cccc(CN2CCC(c3[nH]ncc3-c3ccc4ccccc4c3)CC2)c1O 11912172 XBPGUHOYFCZRGZ-UHFFFAOYSA-N 427.548 5.714 10 50 IKCA COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)ccc1OCC(C)C 16225751 ZTULVPUCVXNQAX-KQWNVCNZSA-N 426.516 5.565 10 50 IKCA COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)N(c3ccc(C)c(C)c3)N=C2C)o1 16677459 BONGUSXAWWEBJY-FYJGNVAPSA-N 431.448 5.286 10 50 IKCA Cc1ccccc1N1C(=O)/C(=C/c2ccc(OCc3ccccc3F)cc2)SC1=S 3003158 FBPHPBRAFLTUIG-HMAPJEAMSA-N 435.545 6.119 10 50 IKCA CCCCC1(Cc2ccccc2[N+](=O)[O-])C(=O)N(c2ccccc2)N(c2ccccc2)C1=O 2994409 CINIOTHJRRSEFQ-UHFFFAOYSA-N 443.503 5.309 10 50 IKCA COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)N(Cc1cc(Cl)ccc1O)CC2 22023268 PKXNQUUEFVHQSL-DEOSSOPVSA-N 444.358 5.864 10 50 IKCA CC[C@H](C1=NN2C(=N)/C(=C\c3c(C)[nH]c4ccccc34)C(=O)N=C2S1)c1ccccc1 16265573 XUYCLCKLZSGKBH-CVKIUECOSA-N 427.533 5.289 10 50 IKCA O=C1/C(=C/c2ccc(Br)o2)SC(=S)N1c1cccc(C(F)(F)F)c1 1206400 QHNRZILIHSUWLA-XFFZJAGNSA-N 434.258 5.467 10 50 IKCA Cc1cccc(N2C(=O)C(=Cc3ccccc3Cl)C(=O)N(c3cccc(C)c3)C2=O)c1 1511631 KQKHGJOLFUMQEX-UHFFFAOYSA-N 430.891 5.540 10 50 IKCA O=C(C(=O)c1ccc(Cc2ccc(C(=O)C(=O)c3ccccc3)cc2)cc1)c1ccccc1 1622919 XNTNXDQCEHVQBS-UHFFFAOYSA-N 432.475 5.409 10 50 IKCA Cc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1cccnc1 6183305 BTSGSYXWDABRCF-VXLYETTFSA-N 425.966 5.548 10 50 IKCA COc1cccc(CN2CCC(c3[nH]ncc3-c3cccc(C(F)(F)F)c3)CC2)c1O 11784995 BZEURHAALUAPAB-UHFFFAOYSA-N 431.458 5.189 10 50 IKCA CCc1ccc(OCCCOc2ccc(/C=C3/SC(=S)N(CC)C3=O)cc2)cc1 2878634 XLOORDAOQFTXSB-LTGZKZEYSA-N 427.591 5.318 10 50 IKCA COc1cccc(CN(Cc2cccnc2)CC2CCN(Cc3ccccc3C)CC2)c1O 11821597 GUJIHKHVKVISPB-UHFFFAOYSA-N 445.607 5.019 10 50 IKCA Cc1c(Cl)cccc1NC(=O)Cn1c(CCC(=O)O)ccc1-c1ccc(Cl)cc1 1057789 RZZUYUVSGHSVGD-UHFFFAOYSA-N 431.319 5.426 10 50 IKCA CCOC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N3C[C@H]1CC=C[C@H]21 8435246 MTOGYYHZWXZMBK-KRKXHZOKSA-N 442.515 5.666 10 50 IKCA CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1 100148057 XOCMUVCNFGHPTC-SFQUDFHCSA-N 430.813 6.425 10 50 IKCA O=C1N=C(N2C=CC(=C(O)c3ccccc3)C=C2)/C(=C/N=NC(=O)c2ccccc2)S1 334157350 XBLVSXCXXQVUGK-RTIGKECSSA-N 428.473 5.698 10 50 IKCA CC[C@H](C)c1ccccc1OCCCOc1ccccc1/C=C1/SC(=S)NC1=O 2878437 MLZGSZHFKOVLGO-WASCAKKMSA-N 427.591 5.537 10 50 IKCA Cc1ccc([C@H]2C(/C=C3\SC(=S)NC3=O)=C(c3cccs3)Oc3ccccc32)cc1 13304041 XRSJPTLZINOZRY-DMMSUNFISA-N 447.606 6.024 10 50 IKCA CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC)C2=O)c(C)c1 2671922 KLFODUVAXVJNHP-STZFKDTASA-N 449.601 5.468 10 50 IKCA Cc1ccccc1OCCOc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1 13940495 ZFMMPFVQCUHGNH-QJOMJCCJSA-N 447.581 5.859 10 50 IKCA CC[C@@H](C)c1ccccc1OCCn1cc(/C=C2/SC(=S)NC2=O)c2ccccc21 15746796 NFNRIUJBBWORJR-CAUNFOBBSA-N 436.602 5.723 10 50 IKCA COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OCc1ccccc1 1165651 QZQYWZPUIANKTH-BKUYFWCQSA-N 437.542 5.269 10 50 IKCA Oc1c([C@H](Nc2cccnc2)c2ccccc2OCc2ccccc2)ccc2cccnc12 15017083 CNRARIIFXOGWOA-HHHXNRCGSA-N 433.511 6.116 10 50 IKCA CCN1C(=O)/C(=C/c2cc(Cl)ccc2OCCOc2ccc(C)cc2C)SC1=S 22229075 VZISCJKFXRVCDO-MOSHPQCFSA-N 448.009 5.636 10 50 IKCA O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2 101854355 XKVSHNLQIOZNHH-DPLHUUCSSA-N 445.906 6.327 10 50 IKCA CN(c1ccccc1)c1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 2992893 ZZBXAOINMQRBOE-RCCKNPSSSA-N 436.989 6.514 10 50 IKCA CCOc1ccc2nc3cc(NC(=O)c4ccccc4Br)ccc3c(N)c2c1 15746137 PQIYPSYMGKVSAH-UHFFFAOYSA-N 436.309 5.384 10 50 IKCA O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1ccc(Cl)cc1 1183001 VKIVWMRTLXYVLM-WJDWOHSUSA-N 437.373 5.223 10 50 IKCA CC[C@@H](C)c1ccccc1OCCCOc1ccc(/C=C2/SC(=S)NC2=O)cc1 22257440 IZBPVWGQQHMGQH-GXPOEHQZSA-N 427.591 5.537 10 50 IKCA Cc1cc(Br)cc(C)c1NC(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O 16192675 MTBLBGDVRGMYEV-UHFFFAOYSA-N 434.289 5.094 10 50 IKCA O=C(O)c1cc(-c2ccc(/C=C3\SC(=O)N(Cc4ccccc4)C3=O)o2)ccc1Cl 2840077 ULRJSJPKRYEMRS-ODLFYWEKSA-N 439.876 5.535 10 50 IKCA COc1ccc(CN2C(=O)/C(=C\C(Br)=C\c3ccccc3)SC2=S)cc1 100926057 LLNRITKJGDBJIW-UBTMQFKDSA-N 446.391 5.375 10 50 IKCA CC(=O)Nc1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N3C[C@H]1CC=C[C@@H]21 103122590 GCMLMVCXNLXJOT-PLNGWDEDSA-N 427.504 5.448 10 50 IKCA O=C1/C(=C\c2cc(Cc3ccccc3Cl)ccc2O)SC(=S)N1C1CCCCC1 2994906 VZEZRAWHWUFWPR-KGENOOAVSA-N 444.021 6.170 10 50 IKCA CCOc1ccc([C@@H](Nc2cc(C)ccn2)c2ccc3cccnc3c2O)cc1OCC 6388917 RGSVHTDNNWJMKH-XMMPIXPASA-N 429.520 5.643 10 50 IKCA Oc1ccc(Cl)cc1[C@H]1Oc2ccc(Br)cc2[C@H]2CC(c3ccco3)=NN21 25559805 DTJHCLKMMLTZFG-OXQOHEQNSA-N 445.700 5.643 10 50 IKCA O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)Nc1cccc(C(F)(F)F)c1 882759 QKLJOMVGXYKRKK-UHFFFAOYSA-N 446.410 5.141 10 50 IKCA O=C1/C(=C/c2c3ccccc3cc3ccccc23)SC(=S)N1c1cccc(Cl)c1 2056489 HMHICAGMUJHSEB-HMAPJEAMSA-N 431.969 7.052 10 50 IKCA O=C(N[C@H](Nc1ccc(/N=N/c2ccccc2)cc1)C(Cl)(Cl)Cl)c1ccco1 6446001 JYIBJKZHKXOLDT-RRRUWBTGSA-N 437.714 6.233 10 50 IKCA CCCC(=O)Oc1c(-c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3nc2c2ccccc12 8995482 RBHOKRUVVUUZHA-UHFFFAOYSA-N 437.455 6.217 10 50 IKCA COc1ccc(CN2CCc3cc(OC)c(OC)cc3[C@@H]2c2cccc(Cl)c2)c(O)c1 16672153 VMQTWCRNUUAREG-VWLOTQADSA-N 439.939 5.219 10 50 IKCA C[C@@H](Oc1ccc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)cc1)c1ccccc1 6732319 VRNXTPOWSLOQDR-NALXFHLLSA-N 444.438 5.008 10 50 IKCA CC(C)CC1=NN2C(=N)/C(=C/c3ccc(O[C@@H](C)c4ccccc4)cc3)C(=O)N=C2S1 12382180 XBICYZOKFMIICQ-IGKANNHESA-N 432.549 5.492 10 50 IKCA CCN1C(=O)/C(=C/c2cn(CCOc3ccc(C)cc3C)c3ccccc23)SC1=S 22229128 RQVSOLPUTVYUGK-HMAPJEAMSA-N 436.602 5.558 10 50 IKCA COc1ccc(-c2cc3c(c(OC)c2)OCCN(Cc2cc(Cl)ccc2O)C3)cc1 14881191 IMSJLUXVBCAFMS-UHFFFAOYSA-N 425.912 5.124 10 50 IKCA CN(C)c1ccc([C@@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccccc4)=NN23)cc1 25559546 KBTPBDVRURBDLC-VWNXMTODSA-N 448.364 5.757 10 50 IKCA CC[C@H](C)c1ccc(OCCCOc2ccccc2/C=C2/SC(=S)N(C)C2=O)cc1 2882443 XMCKYLORCNNMGH-JMMZKRSASA-N 441.618 5.879 10 50 IKCA CCC1=NN2C(=N)/C(=C\c3ccccc3OCc3cccc4ccccc34)C(=O)N=C2S1 8984285 ULXNLEFLLLBUOU-CXJFQJJYSA-N 440.528 5.448 10 50 IKCA Cc1cccc(N2C(=O)/C(=C/c3cccc(OCc4ccccc4F)c3)SC2=S)c1 3001733 LPHULLFKTVBORY-HMAPJEAMSA-N 435.545 6.119 10 50 IKCA CC(C)CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)SC1=S 2819016 ZPBIXYIFOILSAF-PXNMLYILSA-N 445.915 6.476 10 50 IKCA CCOc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)N=C2c2ccccc2)cc(Cl)c1O 13913957 ADRNTVKDTJUZFE-MOSHPQCFSA-N 432.907 5.587 10 50 IKCA COc1ccc(N2C(=O)/C(=C\c3ccc(N(C)c4ccccc4)cc3)SC2=S)cc1 2991917 IAWDQUKHYYRHRI-CJLVFECKSA-N 432.570 5.869 10 50 IKCA COc1ccc(O)c(CN2CCC(C(=O)Nc3cccc(-c4cccc(F)c4)c3)CC2)c1 12758796 QNXRKVGJHFALAC-UHFFFAOYSA-N 434.511 5.058 10 50 IKCA Oc1c([C@H](Nc2nc3ccccc3s2)c2ccc(OC(F)F)cc2)ccc2cccnc12 13062707 YDSHHDISKUSKFW-HXUWFJFHSA-N 449.482 6.353 10 50 IKCA O=C1/C(=C\c2cc(Br)cc(Cl)c2O)SC(=S)N1C1CCCCC1 2997428 ZVXAKTLKTZMCKX-NTUHNPAUSA-N 432.792 5.342 10 50 IKCA COc1cccc([C@@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@H]32)c1OC 9010392 MEFSZRVSQIJVBG-IQUTYRLHSA-N 433.289 5.135 10 50 IKCA O=C1/C(=C2\SC(=S)N(c3ccccc3)C2=O)c2ccccc2N1Cc1ccccc1F 1890351 OBTZEEPBLQLXMF-MRCUWXFGSA-N 446.528 5.149 10 50 IKCA CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1OCc1ccccc1)N2 4757791 BLUIHVLQEBVNNN-UMTXDNHDSA-N 425.528 6.269 10 50 IKCA COc1ccc(-n2c(C)cc(C(=O)CSc3nnc4sc5ccccc5n34)c2C)cc1 628537 WBZNMEVXXZKEQW-UHFFFAOYSA-N 448.573 5.335 10 50 IKCA O=C(N[C@H](c1ccccc1Cl)c1cc([N+](=O)[O-])c2cccnc2c1O)C1CCCCC1 16213897 HILDICTWZVGPGX-HXUWFJFHSA-N 439.899 5.288 10 50 IKCA Nc1ccc(Oc2c(Cl)c(Cl)c(Cl)c(Oc3ccc(N)cc3)c2Cl)cc1 2968239 MYFYOVMSZAVHSN-UHFFFAOYSA-N 430.118 7.049 10 50 IKCA CCC1=NN2C(=N)/C(=C\c3c(C)n(Cc4ccccc4C)c4ccccc34)C(=O)N=C2S1 15800438 GJSMIJGLELMZSO-FEGZGKEQSA-N 441.560 5.336 10 50 IKCA CCCC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 15011023 QQDNTJJSUPFHHL-ULJHMMPZSA-N 441.487 5.760 10 50 IKCA COc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)ccc1OCc1ccccc1Cl 2818671 YTHOPDXJCOGQIR-JAIQZWGSSA-N 448.009 5.785 10 50 IKCA Nc1ccc(Oc2ccc3nc(-c4ccc(F)cc4)c(-c4ccc(F)cc4)nc3c2)cc1 2819801 WNQWEEZHLLRAAD-UHFFFAOYSA-N 425.438 6.617 10 50 IKCA COc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1OCCC(C)C 13801606 MBQQMVSPPYVLQL-JWGURIENSA-N 441.618 5.564 10 50 IKCA O=C(N[C@H](Nc1ccc(/N=N/c2ccccc2)cc1)C(=O)c1ccccc1)c1cccs1 100534426 RUGXSZXNFBPZKD-USTXVIIHSA-N 440.528 6.214 10 50 IKCA COC(=O)c1cc(-c2ccc(/C=C3/C(=O)N(c4ccc(C)c(C)c4)N=C3C)o2)ccc1Cl 16312098 ZUHLJJZRJSITDD-DEDYPNTBSA-N 448.906 5.810 10 50 IKCA COC(=O)[C@H](Oc1ccc2c(-c3ccc(OC)cc3)cc(=O)oc2c1C)c1ccccc1 1129499 SEGTYIUMLOFUGS-RUZDIDTESA-N 430.456 5.070 10 50 IKCA Cc1cccc(COc2cccc(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)c2)c1 2844106 NGVLNKXIKVRMOD-HZHRSRAPSA-N 431.582 5.975 10 50 IKCA Nc1c(C(=O)OCc2ccccc2)sc2nc(-c3cccs3)cc(C(F)(F)F)c12 705785 LYKHBTSJTXOYQG-UHFFFAOYSA-N 434.464 5.983 10 50 IKCA Oc1c(Cl)cc(Cl)cc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc(Cl)cc3)=NN12 25868975 XZDKUPMCVMDSRN-KNQAVFIVSA-N 445.733 6.595 10 50 IKCA COc1ccc(N2CCN(C(=O)/C(=C/c3ccccc3Cl)c3ccccc3)CC2)cc1 1151649 KTRHWPZLUAUWMC-LYBHJNIJSA-N 432.951 5.238 10 50 IKCA O=C1/C(=C\c2ccccc2C(F)(F)F)SC(=S)N1c1cccc(C(F)(F)F)c1 2999428 GQEZVBOTKLEBPM-RIYZIHGNSA-N 433.398 6.130 10 50 IKCA O=C(Nc1cccc(C(F)(F)F)c1)OCC1(c2ccccc2)C(=O)c2ccccc2C1=O 22017878 CWTJNHKWAKKHEW-UHFFFAOYSA-N 439.389 5.271 10 50 IKCA O=C1/C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)SC(=S)N1Cc1ccccc1 13546281 SJSXHMILCJLODX-LDADJPATSA-N 444.002 6.486 10 50 IKCA C[C@H]1CCCCN1Cc1c(O)ccc2c(=O)c(-c3ccc(Br)cc3)coc12 9075650 IGVTUOUWEWKZBH-AWEZNQCLSA-N 428.326 5.303 10 50 IKCA biogenic CCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2C)SC1=S 16192801 VOYAPHVFLMKYKB-KGENOOAVSA-N 449.601 5.468 10 50 IKCA COc1ccc(NC(=O)CCCCCN2C(=O)/C(=C\c3cccs3)SC2=S)cc1 32694312 YAYAYCIALINEPN-NBVRZTHBSA-N 446.619 5.157 10 50 IKCA COc1cc(CNc2ccc(O)cc2)cc(Br)c1OCc1ccccc1F 679198 NIDULHMLERISFI-UHFFFAOYSA-N 432.289 5.494 10 50 IKCA Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)o1 15011624 FCOYPLQXWARYFK-UNOMPAQXSA-N 428.535 5.697 10 50 IKCA COc1ccc(-c2csc(NS(=O)(=O)c3ccc(F)cc3Cl)n2)cc1Cl 170593221 XTOXLJUHKYZRPJ-UHFFFAOYSA-N 433.313 5.065 10 50 IKCA O=C(Nc1ccc(Oc2cccnc2)cc1)C1CCN(Cc2cc(Cl)ccc2O)CC1 11938303 SMCOOOYSEWGAID-UHFFFAOYSA-N 437.927 5.084 10 50 IKCA CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCC(=O)N2CCCc3ccccc32)C1=O 12017088 GYKSANVKPYIKEU-YORPJTJESA-N 448.613 5.204 10 50 IKCA CCCCC1=NN2C(=N)/C(=C/c3ccc(OCc4ccccc4F)cc3)C(=O)N=C2S1 15837953 LUUPUOVNQVZGFM-LCQIMXFNSA-N 436.512 5.214 10 50 IKCA CCc1cc2c(=O)c(-c3ccc(F)cc3)c(C(F)(F)F)oc2c(CN2CCCCC2)c1O 2581668 HLSVIZFAYYJHSF-UHFFFAOYSA-N 449.444 5.872 10 50 IKCA COc1ccc(C(=O)N[C@@H](/C=C/c2ccccc2)c2cc(Cl)c3cccnc3c2O)cc1 6397312 IHUQMSMIRSMDBD-PZVJUEDKSA-N 444.918 5.787 10 50 IKCA CCN1C(=O)/C(=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)SC1=S 6470413 HLJOKRVHNBATSP-LICLKQGHSA-N 437.945 5.288 10 50 IKCA COc1cccc(O)c1CN1CCC[C@@H](c2[nH]ncc2-c2cccc(C(F)(F)F)c2)C1 15004794 ZRRDMCXBCVKPQL-MRXNPFEDSA-N 431.458 5.189 10 50 IKCA CC(=O)Oc1ccc([C@@H]2Nc3c(C(=O)c4ccccc4)cc(Cl)cc3[C@@H]3C=CC[C@@H]32)cc1 101674823 SZTXVDPMMIVKNV-SLSDLSHTSA-N 443.930 6.323 10 50 IKCA COc1ccc(N2C(=O)/C(=C\C=C\c3ccc(Br)cc3)SC2=S)cc1 8721789 WKGZDBQWSZPKGV-GFJWLWTISA-N 432.364 5.420 10 50 IKCA COc1ccc(OC)c(CNc2sc3c(c2C(=O)Nc2ccccc2OC)CCC3)c1 920843 GRAANJDZFGWPHU-UHFFFAOYSA-N 438.549 5.127 10 50 IKCA Cc1cc(/C=C2\SC(=O)NC2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 22215984 QFFWVWUGHPOAKE-MTJSOVHGSA-N 438.936 5.650 10 50 IKCA COc1ccccc1N1C(=O)S/C(=C\c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)C1=O 1112309 SUGLSXKFEQMGQN-BKUYFWCQSA-N 449.488 5.252 10 50 IKCA Cc1cccc(Cn2cc(/C=C3\C(=N)N4N=C(C(C)C)SC4=NC3=O)c3ccccc32)c1 15800342 AQDMOZRTVPMKLH-GRRODGBQSA-N 441.560 5.273 10 50 IKCA O=C1N=C(O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1c1ccc(Cl)cc1 843235 BLYHNAATXSVOGF-WJDWOHSUSA-N 437.795 5.015 10 50 IKCA COc1ccc(Cl)cc1NC(=O)c1c(NCc2ccccn2)sc2c1CC[C@@H](C)C2 1144030 VWUAWNIVFKPHHE-CQSZACIVSA-N 441.984 5.794 10 50 IKCA CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(Cl)c(O)c(Br)c1 13913990 YHTFGJBGBPYKBX-MLPAPPSSSA-N 426.097 5.268 10 50 IKCA COc1ccc2c(c1)S[C@@H](c1ccc(F)c(F)c1)CCN2Cc1ccc(O)c(OC)c1 14886208 ZABPBEDEMAOEBU-HSZRJFAPSA-N 443.515 5.931 10 50 IKCA COc1ccc(CN2C(=O)/C(=C/c3cc(C(C)C)c(OC)cc3C)SC2=S)cc1 1145528 NSUIXSPDXYNSQD-MTJSOVHGSA-N 427.591 5.537 10 50 IKCA CCN1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccccc2)SC1=S 6470483 NDBFLRAIAAFRPF-GZTJUZNOSA-N 434.380 5.249 10 50 IKCA CCCCC1(C)OC(=O)C(=Cc2ccc(-c3ccc(C)cc3Br)o2)C(=O)O1 2210515 MLOLUEVXNUNCRW-UHFFFAOYSA-N 433.298 5.407 10 50 IKCA Cc1ccccc1[C@@H]1C(/C=C2\SC(=S)NC2=O)=C(c2ccccc2)Oc2ccccc21 2268178 FPYPMIFTPVAAGV-AMCKHAKVSA-N 441.577 5.962 10 50 IKCA Cc1cccc(C)c1OCCCOc1ccc(Cl)cc1/C=C1/SC(=S)NC1=O 2874261 CFDUHMCGPRLMDD-LDADJPATSA-N 433.982 5.294 10 50 IKCA COc1ccc(OC)c(NC(=O)c2c(NCc3ccc(C)o3)sc3c2CCCC3)c1 8430090 CHORGAWCXAVVTE-UHFFFAOYSA-N 426.538 5.410 10 50 IKCA Cc1ccc(-c2ccc(/C=C3/C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)o2)cc1Cl 13810082 QRSFRNVFHXOEHP-TTZSUPAZSA-N 438.818 5.090 10 50 IKCA CCC1=NN2C(=N)/C(=C\c3c(C)n(Cc4ccc(F)cc4)c4ccccc34)C(=O)N=C2S1 15800689 XLSZSNQOLBYXED-VYIPLNHISA-N 445.523 5.166 10 50 IKCA CCOC(=O)C1=C(c2ccccc2)S/C(=C2/C(=S)C(C)(C)Nc3ccccc32)S1 2070248 XTKAGYHFTGTPNW-XLNRJJMWSA-N 439.627 6.341 10 50 IKCA COc1ccccc1N1C(=O)/C(=C/c2ccc(-c3cccc(C(=O)O)c3)o2)SC1=S 2833931 WNXJXDROWLOFBL-UNOMPAQXSA-N 437.498 5.059 10 50 IKCA O=C1/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)SC(=S)N1C1CCCCC1 2850145 SCJDIQDLVBFAOJ-WOJGMQOQSA-N 448.953 6.042 10 50 IKCA Cc1cccc(COc2ccc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)cc2)c1 15010729 DTSZECIZWBNJMO-ULJHMMPZSA-N 445.609 6.018 10 50 IKCA CC(C)CC1=NN2C(=N)/C(=C/c3ccc(O[C@H](C)c4ccccc4)cc3)C(=O)N=C2S1 16116109 XBICYZOKFMIICQ-PDQHBKGPSA-N 432.549 5.492 10 50 IKCA COc1cccc(NC(=O)CCCCCN2C(=O)/C(=C\c3cccs3)SC2=S)c1 32694311 YVXBAFGQTUNKGP-NBVRZTHBSA-N 446.619 5.157 10 50 IKCA Cc1ccc(C(C)C)c(OCCCOc2ccc(/C=C3/SC(=S)N(C)C3=O)cc2)c1 2874284 WFUOZMYIKBVPMQ-PXLXIMEGSA-N 441.618 5.797 10 50 IKCA CC[C@@H](C)c1ccc(OCCOc2ccc(C)cc2/C=C2\SC(=S)N(C)C2=O)cc1 22358374 NCRCVOURCQUKDS-JVDNRXPZSA-N 441.618 5.797 10 50 IKCA Oc1ccc(Cl)cc1[C@@H]1Oc2c(Cl)cc(Cl)cc2[C@@H]2CC(c3ccccc3)=NN21 25558719 VGXKXBKMGRGZBW-UGKGYDQZSA-N 445.733 6.595 10 50 IKCA CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)NCCc1ccc(O)c(O)c1 95896292 MVVPIAAVGAWJNQ-MLFLMRJSSA-N 439.640 6.902 10 50 IKCA O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)SC(=S)N1C1CCCC1 2533013 IDMLPKPFEGXDPL-STZFKDTASA-N 449.576 5.822 10 50 IKCA O=C1/C(=C/c2ccccc2OCc2ccccc2F)SC(=S)N1CCc1ccccc1 2984398 GPVZKCKADYRUMF-KQWNVCNZSA-N 449.572 5.849 10 50 IKCA CCN(CC)c1ccc(/C=C2\C(=O)N(c3nc(-c4ccccc4O)cs3)N=C2C)cc1 4046358 HZTSKTJTJXQPRI-ZHZULCJRSA-N 432.549 5.168 10 50 IKCA CCN1C(=O)/C(=C\c2ccccc2OCCCOc2cc(C)ccc2C)SC1=S 6470649 RMPYQTZPZWVWGM-RCCKNPSSSA-N 427.591 5.372 10 50 IKCA CCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)SC1=S 2672567 NFEAFCYWYJNCKD-QNGOZBTKSA-N 433.602 5.849 10 50 IKCA CC(C)(C)c1ccc(/C=C2/SC(N3CCN(c4cccc(Cl)c4)CC3)=NC2=O)cc1 2313578 MMQZAGQSVTZXDD-RCCKNPSSSA-N 440.012 5.430 10 50 IKCA O=C1/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)SC(=S)N1C[C@H]1CCCO1 2334329 ANUBAMYZSAOOSS-LFMVTYOGSA-N 440.373 5.634 10 50 IKCA Cc1nc2cc(NC(=O)[C@@H]3CC34CCN(Cc3cc(Cl)ccc3O)CC4)ccc2s1 11996200 FVSQBZJNHCRBLM-SFHVURJKSA-N 441.984 5.205 10 50 IKCA Cc1ccc(C2=NN3C(=N)/C(=C/c4cc(C)n(-c5ccccc5)c4C)C(=O)N=C3S2)cc1 15836902 OMBDFWMFLVOCCK-TUKHXMGSSA-N 439.544 5.070 10 50 IKCA Cc1ccc(C2=NN3C(=N)/C(=C/c4ccc(-c5ccc(F)cc5)o4)C(=O)N=C3S2)cc1 13899090 KNBSTZDEZJOHAA-QDLOHUEYSA-N 430.464 5.062 10 50 IKCA Cc1cc(CN2CCN(c3ccccc3F)CC2)c(C)n1-c1cccc(C(F)(F)F)c1 55142251 ZLGFNHBKNRFLAF-UHFFFAOYSA-N 431.477 5.574 10 50 IKCA Cc1cccc(NC(=O)CCCN2C(=O)/C(=C/c3ccccc3Cl)SC2=S)c1 1180810 KVYCEFDUMYZHQW-AQTBWJFISA-N 430.982 5.269 10 50 IKCA CC1=NN(c2ccccc2Cl)C(=O)/C1=C\c1ccccc1OCc1ccccc1Cl 13915505 LCAVIDKLGHBRJA-RGEXLXHISA-N 437.326 6.379 10 50 IKCA O=C1/C(=C2\CCCCCN2)C(c2cc([N+](=O)[O-])c(Cl)cc2Cl)=NN1c1ccccc1 22340202 AURXEOZUWBAXBA-HTXNQAPBSA-N 445.306 5.070 10 50 IKCA O=C(O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccc(OCc3ccccc3)cc1)N2 111478785 UJBODOYKWBPKKC-YOSAUDMPSA-N 431.919 6.444 10 50 IKCA CC(C)c1ccc(N2C(=O)/C(=C/c3cc(Cl)c(O)c(Cl)c3)C(O)=NC2=S)cc1 1199180 WJBOBWMLJXGYEP-VGOFMYFVSA-N 435.332 5.494 10 50 IKCA COc1ccc([C@@H](Nc2ccccn2)c2cc(Cl)c3cccnc3c2O)cc1[N+](=O)[O-] 15016965 NCUKGVAQQZZNPE-HXUWFJFHSA-N 436.855 5.107 10 50 IKCA O=C1/C(=C/c2ccc(OCc3cccc(F)c3)cc2)SC(=S)N1Cc1ccco1 1138466 VBDWNXSBFSOQKJ-NDENLUEZSA-N 425.506 5.399 10 50 IKCA O=S(=O)(Nc1ccc(O)c(Sc2nc3ccccc3s2)c1)c1ccc(Cl)cc1 1213473 LRNSEWVOKBURRE-UHFFFAOYSA-N 448.978 5.607 10 50 IKCA O=C(N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12)c1ccc(Br)cc1 1782193 KQKZXJDBKZDKMY-QHCPKHFHSA-N 432.317 5.827 10 50 IKCA O=C1/C(=C\c2cccc(Br)c2)SC(=S)N1C(=O)c1ccccc1Cl 408822066 DMJQSMMLONMENN-NTEUORMPSA-N 438.755 5.144 10 50 IKCA COCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)SC1=S 1835494 GTZCWGKXUVQDNJ-RCCKNPSSSA-N 449.601 5.085 10 50 IKCA O=C(O)c1cc2c3c(c1)[C@@H]1C=CC[C@H]1CN3[C@@H](c1ccc(Br)cc1)[C@H]1CC=C[C@@H]21 239432930 WXZHYNIYTFJYOW-BJTMNOAGSA-N 448.360 6.042 10 50 IKCA Cc1c(Cl)cccc1NC=C1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O 2260836 SOPIHETTZJMHHB-UHFFFAOYSA-N 443.975 5.400 10 50 IKCA Cc1cc(C)cc(OCCCOc2ccc(Cl)cc2/C=C2/SC(=S)N(C)C2=O)c1 2878246 WBRIEPVGYIGNTK-DEDYPNTBSA-N 448.009 5.636 10 50 IKCA Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)C2=O)cc1 9066372 WMLYDIJGRFEQPV-BOPFTXTBSA-N 441.270 5.228 10 50 IKCA CN(C)c1ccc(NC(=O)c2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)cc1 13562592 OBARADUUBGZLLN-UHFFFAOYSA-N 442.522 6.408 10 50 IKCA CCn1cc(C(c2ccc(O)c(O)c2O)c2cn(CC)c3ccccc23)c2ccccc21 15016930 AYGXYRGMWOVBGF-UHFFFAOYSA-N 426.516 5.933 10 50 IKCA O=C1/C(=C\c2ccncc2)C(c2ccccc2)=NN1c1c(Cl)cc(Cl)cc1Cl 16266715 SOSGVUNQUSVNRP-YBEGLDIGSA-N 428.706 5.876 10 50 IKCA Cc1ccc(Nc2cc(Sc3ccc(C)cc3)c3noc4c3c2C(=O)c2ccccc2-4)cc1 2313989 SEHUEMFFLQBAON-UHFFFAOYSA-N 448.547 7.551 10 50 IKCA CCCCN1C(=O)/C(=C2/C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)SC1=S 2688794 ZFBNFTNWBBSDCS-HNENSFHCSA-N 442.993 5.258 10 50 IKCA CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccccc1 2896941 FVJACXNWSPLCFK-XQNSMLJCSA-N 447.581 6.070 10 50 IKCA COc1ccc(Cl)cc1NC(=O)c1c(NCc2ccccn2)sc2c1CCCCC2 1146700 LYIIHKHLJLFLLZ-UHFFFAOYSA-N 441.984 5.938 10 50 IKCA CC(C)CN1C(=O)/C(=C2/C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)SC1=S 2672507 WKILRTNZQRSKGM-HNENSFHCSA-N 442.993 5.114 10 50 IKCA Cc1ccc(CN2C(=O)/C(=C3\SC(=S)N(C4CCCC4)C3=O)c3ccccc32)cc1 2695132 FBHKVNWMFMVJOE-MRCUWXFGSA-N 434.586 5.056 10 50 IKCA Cc1ccc(C(C)C)c(OCCCOc2ccccc2/C=C2/SC(=S)N(C)C2=O)c1 2874139 HARIBFRWAXVXBG-PXLXIMEGSA-N 441.618 5.797 10 50 IKCA Cc1ccc(OCCCOc2ccc(Cl)cc2/C=C2/SC(=S)N(C)C2=O)c(C)c1 22257454 SZQHGNMEVMCJOT-DEDYPNTBSA-N 448.009 5.636 10 50 IKCA CN1/C(=C/c2cc[n+](C)c3ccccc23)Sc2cc(-c3nc4ccccc4s3)ccc21 38475938 ICWODGMYUKYVIT-UHFFFAOYSA-N 438.601 6.482 10 50 IKCA COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)N(Cc1ccc(N(C)C)cc1)CC2 16672212 ZLVPBCWNMROIEP-AREMUKBSSA-N 436.983 5.571 10 50 IKCA CCCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccs2)SC1=S 25581342 HZTZPVBNXGGBNU-XMHGGMMESA-N 439.631 5.992 10 50 IKCA COc1ccc(OCc2ccccc2)c(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)c1 2811617 YIPCDXWAIWOCLG-HAHDFKILSA-N 447.581 5.988 10 50 IKCA COc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Cl)c1OCc1ccccc1Cl 22184986 BOBVICOIQHUTGD-CXUHLZMHSA-N 440.373 5.412 10 50 IKCA O=C(Oc1cccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1)c1cccs1 1121413 YFBNGNLLWVASRC-UYRXBGFRSA-N 437.567 5.369 10 50 IKCA Cc1ccc(C)c(OCCCOc2ccc(Cl)cc2/C=C2/SC(=S)N(C)C2=O)c1 2882562 KWIVUQBZVWCBNO-DEDYPNTBSA-N 448.009 5.636 10 50 IKCA CN(C)c1ccc([C@H]2Nc3ccccc3-c3nnc(SCc4ccccc4)nc3O2)cc1 2977673 IWRNTRUANRBILT-QHCPKHFHSA-N 441.560 5.400 10 50 IKCA COc1ccc(CN2CCc3cc(OC)c(OC)cc3[C@H]2c2cccc(Cl)c2)c(O)c1 16672155 VMQTWCRNUUAREG-RUZDIDTESA-N 439.939 5.219 10 50 IKCA CCc1cc2c(=O)c(-c3nc4ccccc4s3)c(C)oc2c(CN2CCCCC2)c1O 2667122 GJAJCKRYMOYFAI-UHFFFAOYSA-N 434.561 5.632 10 50 IKCA biogenic CN(C)c1ccc(C(c2ccc(N(C)C)cc2)(c2ccc(N(C)C)cc2)C(F)(F)F)cc1 3880536 XEFKQWGOXKOCHN-UHFFFAOYSA-N 441.541 5.781 10 50 IKCA COc1ccc(C(=O)N[C@H](/C=C/c2ccccc2)c2cc(Cl)c3cccnc3c2O)cc1 6397289 IHUQMSMIRSMDBD-VTJDKEBTSA-N 444.918 5.787 10 50 IKCA O=C1/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)SC(=S)N1C[C@@H]1CCCO1 13739154 ANUBAMYZSAOOSS-YRUBURHZSA-N 440.373 5.634 10 50 IKCA CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(O)c(-c3c(O)ccc4ccccc34)c2)cc1 2954565 SGKOJFCMFILPCL-UHFFFAOYSA-N 447.556 6.016 10 50 IKCA COc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1OCc1ccccc1 2070541 XYYZUIWONJLRLN-PXLXIMEGSA-N 433.554 5.680 10 50 IKCA O=C1C(=Cc2ccc(OCc3ccccc3)cc2)SC(=S)N1c1ccc(Cl)cc1 1857666844 ZMMVJIKNSWENAB-UHFFFAOYSA-N 437.973 6.325 10 50 IKCA O=C1c2ccccc2C(=O)C1(Cc1cccc(Br)c1)c1ccc(Cl)cc1 2986809 IPQIFDQTABGQQV-UHFFFAOYSA-N 425.709 5.662 10 50 IKCA COc1cc(/C=C2/SC(=S)N(c3cc(-c4ccccc4)ccc3OC)C2=O)ccc1O 15011942 OXNRACRRLHPVFU-LPYMAVHISA-N 449.553 5.482 10 50 IKCA O=C1N=C(N2C=CC(=C(O)c3ccccc3)C=C2)C(=CN=NC(=O)c2cccnc2)S1 1857524794 KCAUQVXILGURPS-UHFFFAOYSA-N 429.461 5.093 10 50 IKCA CC[C@@H](C)N1C(=O)/C(=C2/C(=O)N(Cc3ccccc3Cl)c3ccccc32)SC1=S 2672259 ZFEQFGJTVADGTQ-LTFJSZEESA-N 442.993 5.257 10 50 IKCA O=C1NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)cc2Cl)o1 6997642 OYRXVTUFDMASED-YBEGLDIGSA-N 433.678 5.368 10 50 IKCA O=C(CCc1ccccc1)N[C@H](c1ccc2c(c1)OCO2)c1c(O)ccc2ccccc12 801044 BWXIBDZNZFVSNI-HHHXNRCGSA-N 425.484 5.113 10 50 IKCA CC/C(=C(/CC)c1ccc(O)c(CN(CC)CC)c1)c1ccc(O)c(CN(CC)CC)c1 17289894 QFNJFVBKASKGEU-OCEACIFDSA-N 438.656 6.512 10 50 IKCA in-vitro O=C(COC(=O)c1ccc2c3c1[C@@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@@H]21)c1ccc(Cl)cc1 245377246 JMZLFTVBMPZFSD-VURPSTOHSA-N 445.946 5.533 10 50 IKCA Cc1ccc(S(=O)(=O)Nc2c3ccccc3c(O)c3c4c(oc23)CC(C)(C)CC4=O)cc1 948875 KWARETICDNUJQX-UHFFFAOYSA-N 449.528 5.556 10 50 IKCA COc1ccc2c(c1)S[C@H](c1cccc(F)c1)CCN2Cc1c(O)cccc1OC 12158699 NZILGZKIFBIYNO-QHCPKHFHSA-N 425.525 5.792 10 50 IKCA Cc1ccccc1[C@@H]1C(/C=C2\SC(=S)NC2=O)=C(c2cccs2)Oc2ccccc21 13304022 RWBUMFPLCDRAEN-MSTPFNHUSA-N 447.606 6.024 10 50 IKCA CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1 32224811 YMSCOWUUIXKYPC-RPCRKUJJSA-N 446.510 5.299 10 50 IKCA CCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC1=S 12558297 WXVZSMQFGQBMDE-LDADJPATSA-N 425.966 5.414 10 50 IKCA Nc1ccc(Oc2nc(Oc3ccc(N)cc3)c(F)c(Oc3ccc(N)cc3)c2F)cc1 13074630 WRALAPPLMLHMLA-UHFFFAOYSA-N 436.418 5.483 10 50 IKCA COc1cccc(C2=NN3[C@H](c4ccc(N(C)C)cc4)Oc4ccc(Cl)cc4[C@H]3C2)c1 248046409 MJNBPQFGXZARHX-NOZRDPDXSA-N 433.939 5.657 10 50 IKCA CCn1nc(C)c(CN2CC[C@H](c3ccc(F)c(F)c3)Sc3cc(OC)ccc32)c1C 12243075 SWZDKYTWSONFQH-HSZRJFAPSA-N 443.563 6.050 10 50 IKCA O=C1/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC(=S)N1Cc1ccco1 2208011 XMXNXZPMWNMQTP-LICLKQGHSA-N 435.448 5.960 10 50 IKCA Cc1ccc(CN2C(=O)/C(=C/c3ccc(OC(=O)c4ccccc4)cc3)SC2=S)cc1 2811675 RLEGYHUADCJWRC-JCMHNJIXSA-N 445.565 5.616 10 50 IKCA CC[C@H](C)N1C(=O)/C(=C/c2ccc(OC(=O)/C=C/c3ccc(C)cc3)cc2)SC1=S 2811939 ARAPOJPBJLZXLU-NAXAOKOWSA-N 437.586 5.614 10 50 IKCA CCOc1ccc(-c2nc(COC(=O)[C@@H](CC)Cc3ccc(N)cc3)cs2)cc1OC 225613508 YDMWATHZXWZWIT-KRWDZBQOSA-N 440.565 5.112 10 50 IKCA COc1ccccc1C=C1C(=O)N(c2ccc(C)cc2)C(=S)N(c2ccc(C)cc2)C1=O 1206775 UNTOMVLOFLTHMK-UHFFFAOYSA-N 442.540 5.060 10 50 IKCA Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CC(C)C)C2=O)cc1 1446652 GNZLZGGQMDWHPK-FYJGNVAPSA-N 433.602 5.705 10 50 IKCA Cc1ccc(COc2cccc(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)c2)cc1 15856632 PBOUOLJOVTZSNU-HZHRSRAPSA-N 431.582 5.975 10 50 IKCA CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)cc(Cl)c1OCc1ccccc1C 22241947 YAMHRMYRIXQPFV-XDHOZWIPSA-N 448.009 5.847 10 50 IKCA O=C1/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC(=S)N1CCc1ccccc1 6142583 CSHJWYHMQNLCFZ-XSFVSMFZSA-N 436.514 5.299 10 50 IKCA O=C(N[C@@H](c1ccc(Cl)cc1)c1cc([N+](=O)[O-])c2cccnc2c1O)C1CCCCC1 1133557 RTRGJVZFNYOBAE-FQEVSTJZSA-N 439.899 5.288 10 50 IKCA COc1ccc(N(C)C(=O)c2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)cc1 13562594 WRGLJNQEYLTNCQ-UHFFFAOYSA-N 443.506 6.375 10 50 IKCA CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4C)o3)C2=O)cc1 16193617 KJRHBUYULNWPDN-MOSHPQCFSA-N 434.879 5.137 10 50 IKCA CCC1=NN2C(=N)/C(=C\c3cn(Cc4ccc(Cl)cc4)c4ccccc34)C(=O)N=C2S1 15800235 NASUYEKSWAUTDF-SPXSAIPKSA-N 447.951 5.372 10 50 IKCA O=C(CSc1ccc(NCc2ccccc2O)cc1)Nc1ccc(OC(F)(F)F)cc1 2544812 ISHNQSXEBRLWQM-UHFFFAOYSA-N 448.466 5.634 10 50 IKCA CCOc1cccc(CN2CCC(C(=O)Nc3cccc(-c4cccc(F)c4)c3)CC2)c1O 12466773 SAKLAERAIFIIHH-UHFFFAOYSA-N 448.538 5.448 10 50 IKCA O=C1/C(=C\c2ccc(OCc3ccccc3F)cc2)SC(=S)N1Cc1ccccc1 7018713 OUNCEWHIGDFYQI-HYARGMPZSA-N 435.545 5.806 10 50 IKCA COc1ccc(OCc2ccc(Cl)c(Cl)c2)c(/C=C2\SC(=S)NC2=O)c1 16212954 APJAFADTUJZJAX-PXNMLYILSA-N 426.346 5.070 10 50 IKCA O=C1/C(=C/c2ccc(-c3ccccc3Cl)o2)SC(=S)N1c1cccc(Cl)c1 3460958 DIQMBIFGKOHCSX-WQRHYEAKSA-N 432.353 6.659 10 50 IKCA CCOC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N3C[C@@H]1CC=C[C@H]21 655573 MTOGYYHZWXZMBK-VSALZBCGSA-N 442.515 5.666 10 50 IKCA Oc1ccc(Cl)cc1[C@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3ccco3)=NN21 25559797 DTJHCLKMMLTZFG-OXJNMPFZSA-N 445.700 5.643 10 50 IKCA COc1ccc2c(c1)S[C@@H](c1cccc(F)c1)CCN2Cc1nc2ccccc2n1C 12184479 GCXQPJYIHUZZPO-HSZRJFAPSA-N 433.552 5.965 10 50 IKCA O=C1N=C(O)/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1c1ccccc1F 8971380 QBLFZFAXWOJNTL-ZHZULCJRSA-N 439.446 5.335 10 50 IKCA O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccccc2)SC(=S)N1C1CCCCC1 2533125 FSFSDDYRURYRBM-JWGURIENSA-N 445.613 6.073 10 50 IKCA CCN1C(=O)/C(=C\c2cc(Cl)ccc2OCCCOc2ccccc2C)SC1=S 6470460 JPUIINPHFXNMFJ-XSFVSMFZSA-N 448.009 5.717 10 50 IKCA Oc1c([C@H](Nc2ccccn2)c2cccc(Br)c2)cc(Cl)c2cccnc12 15016782 KNXAAGPALKKPMQ-LJQANCHMSA-N 440.728 5.953 10 50 IKCA COc1ccc(N2CCC(N3CCC(CCC(=O)Nc4cccc(C)c4)CC3)CC2)cc1 15072602 RGKJWVCOFCFICI-UHFFFAOYSA-N 435.612 5.103 10 50 IKCA CCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)SC1=S 19878944 FQQVIFAPLAGXRR-XSFVSMFZSA-N 435.574 5.159 10 50 IKCA COc1ccc(-c2csc(N3N=C(C)[C@H](/N=N/c4nc5ccccc5s4)C3=O)n2)cc1 100506441 OSIPDQYFTNUHSJ-GEJZQBIKSA-N 448.533 5.303 10 50 IKCA COc1ccc2c(c1)S[C@@H](c1ccccc1C(F)(F)F)CCN2Cc1cnn(C)c1 299791506 GOTYBNLSUGYFKP-HXUWFJFHSA-N 433.499 5.691 10 50 IKCA COc1ccccc1-c1c(C(F)(F)F)oc2c(CN3CCC(C)CC3)c(O)ccc2c1=O 946467 HAPWWHVZBHABBY-UHFFFAOYSA-N 447.453 5.425 10 50 IKCA COc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)N=C2C)ccc1OCc1ccc(F)cc1 8442875 VJMWCJVZKVVUKP-LPYMAVHISA-N 434.442 5.359 10 50 IKCA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C)C2=O)cc1C 33352601 UPZJUEQHRNDJAY-KGENOOAVSA-N 449.601 5.468 10 50 IKCA O=C1N=C(N2C=CC(=C(O)c3ccccc3)C=C2)C(=CN=NC(=O)c2ccncc2)S1 1857525287 DNBUJNIKIDDXGH-UHFFFAOYSA-N 429.461 5.093 10 50 IKCA O=C1/C(=C\c2ccc3c(c2)CCN3Cc2ccccc2)SC(=S)N1Cc1ccccc1 3154754 RAISKLSKDJHNJR-LFVJCYFKSA-N 442.609 5.651 10 50 IKCA O=C(CC1(c2ccccc2)C(=O)c2ccccc2C1=O)Nc1ccc(-c2ccccc2)cc1 22014961 LAQAFSRKGGQHSX-UHFFFAOYSA-N 431.491 5.699 10 50 IKCA COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4)o3)SC2=S)cc1 8398840 CQYHMXMCNYOEQV-XDHOZWIPSA-N 427.934 6.014 10 50 IKCA CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)NC2=O)c(C)c1 22309638 MEZQRAXGFKTJCK-KGENOOAVSA-N 449.601 5.515 10 50 IKCA CCOc1cc(N(CC)CC)ccc1/C=C1\SC(=O)N(c2cccc(Cl)c2)C1=O 2164913 XNYRUOJQFQKACE-NDENLUEZSA-N 430.957 5.826 10 50 IKCA CCOc1c(Br)cc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3C=CC[C@@H]32)cc1OC 8896020 PRULTHQJMVFROH-AVYPCKFXSA-N 445.313 5.591 10 50 IKCA CC1=CSC2=NC(=O)/C(=C/c3ccc(OCc4ccccc4F)c(Cl)c3)C(=N)N12 16213425 VPJYBQMHZZIKTB-OOFGAGLLSA-N 427.888 5.225 10 50 IKCA O=C1/C(=C\c2coc3c(Cl)cc(Cl)cc3c2=O)SC(=S)N1C1CCCCC1 2994333 GGBDIZAQGBJJDN-GIDUJCDVSA-N 440.373 5.634 10 50 IKCA COc1ccc(OCc2ccccc2)c(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c1 16267625 JXZFJEOVWSIJGA-BKUYFWCQSA-N 437.542 5.269 10 50 IKCA O=[N+]([O-])c1ccc([C@@H]2[C@@H]3CC=C[C@@H]3c3cc(Br)cc4c3N2C[C@H]2CC=C[C@H]42)cc1 8935288 VUGPWWVPSRHYQI-MSBWEVJISA-N 449.348 6.252 10 50 IKCA COc1ccc2ccccc2c1/C=C1\SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O 16675793 WODYEKSMXZVQML-UNOMPAQXSA-N 445.487 6.273 10 50 IKCA CCOc1cc(/C=C2\SC(=S)N(CCCc3ccccc3)C2=O)c(C)cc1OC 1146088 MULSHEJALSPEIB-QNGOZBTKSA-N 427.591 5.236 10 50 IKCA CC(C)(C)c1cc2c(c(C(C)(C)C)c1)O[C@H](c1ccc(I)o1)N2 2283402 JPIPREULRGGIBP-QGZVFWFLSA-N 425.310 5.982 10 50 IKCA O=C1NN(c2ccccc2)C(=O)/C1=C/c1cn(Cc2cccc3ccccc23)c2ccccc12 16183042 IGOGGZBSBXGQKZ-YZSQISJMSA-N 443.506 5.304 10 50 IKCA O=C1NN(c2ccc(Br)cc2)C(=O)/C1=C\c1c2ccccc2cc2ccccc12 910375 LXLQSUMYPMUOSR-HMAPJEAMSA-N 443.300 5.217 10 50 IKCA O=C1/C(=C\c2cc(Br)cc(Cl)c2O)SC(=S)N1Cc1ccccc1 15011883 MEBSIBKKJYGWIC-VGOFMYFVSA-N 440.771 5.210 10 50 IKCA O=C(NC(=S)Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1cc2ccccc2o1 678910 CODUHCLDBJENOG-UHFFFAOYSA-N 434.904 5.444 10 50 IKCA CCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(C)c2)SC1=S 35079264 OFPSANYOPPNJAG-DEDYPNTBSA-N 435.574 5.077 10 50 IKCA COc1cccc(C(=O)N[C@@H](c2ccc(C)cc2)c2cc(Cl)c3cccnc3c2O)c1 6431967 DYRXAXDGAQMJDP-QFIPXVFZSA-N 432.907 5.430 10 50 IKCA biogenic COc1ccc(C2=NN3[C@H](c4cc(Cl)cc(Cl)c4O)Oc4ccccc4[C@H]3C2)cc1 248183468 FZQZREQQVSMDCE-OFNKIYASSA-N 441.314 5.950 10 50 IKCA COc1cccc([C@@H]2N=NC(C3C(=O)c4ccccc4C3=O)=C[C@H]2c2ccccc2)c1OC 103465885 DQILQMCELXQZLN-RDPSFJRHSA-N 438.483 5.574 10 50 IKCA COc1ccc(Cl)cc1NC(=O)c1c(NCc2ccccn2)sc2c1CC[C@H](C)C2 1144029 VWUAWNIVFKPHHE-AWEZNQCLSA-N 441.984 5.794 10 50 IKCA COc1ccc(Cl)cc1NC(=O)c1c(NCc2cccnc2)sc2c1CCCCC2 6406383 OUUBJCRSRJFGOH-UHFFFAOYSA-N 441.984 5.938 10 50 IKCA COC(=O)c1nn(-c2ccccc2)c(=O)c(N=Nc2cccc(C(F)(F)F)c2)c1Cl 252428188 SOGZSFGTHMGKMZ-UHFFFAOYSA-N 436.777 5.107 10 50 IKCA Cc1cccc(NC(=O)CCN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)c1C 1186836 UTNDAYYREIFMIL-PDGQHHTCSA-N 430.982 5.187 10 50 IKCA CCN1C(=O)/C(=C/c2ccc(OC(=O)c3ccc(C(C)C)cc3)c(OC)c2)SC1=S 1118758 VAOUXMDQPFSXLS-MOSHPQCFSA-N 441.574 5.259 10 50 IKCA CC[C@H](C)c1ccc(OCCOc2ccc(/C=C3\SC(=S)NC3=O)cc2OC)cc1 22229222 QSEBASHNGILISI-JTMDUIFQSA-N 443.590 5.155 10 50 IKCA COc1ccccc1/C=C1\SC(=S)N(CNc2cc(Cl)ccc2Cl)C1=O 334160840 NKAJWCCDKZDBSS-PXNMLYILSA-N 425.362 5.273 10 50 IKCA COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(C)cc3)c2C)C(O)=NC1=S 1874271 JWYBVWCRMPHTKY-XSFVSMFZSA-N 445.544 5.083 10 50 IKCA CCN1C(=O)/C(=C/c2ccc(COc3c(Cl)cc(Cl)cc3Cl)o2)SC1=S 8455411 JLSCMQXKKWCQFR-AUWJEWJLSA-N 448.780 6.040 10 50 IKCA CCn1cc(CN2CC[C@H](c3ccc(OC)c(C)c3)Sc3cc(OC)ccc32)c(C)n1 12152274 QOQWCCKWQPMYLD-XMMPIXPASA-N 437.609 5.781 10 50 IKCA O=C1/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC(=S)N1Cc1ccc(F)cc1 1151818 WFVXVJQACVUDBI-ODLFYWEKSA-N 440.477 5.395 10 50 IKCA CCN1C(=O)/C(=C/c2cccc(OCCOc3ccc(Cl)c(C)c3)c2)SC1=S 2977622 UOKJPWVNPRRNTG-UYRXBGFRSA-N 433.982 5.327 10 50 IKCA Cc1cccc(N2C(=O)/C(=C/c3ccccc3OCc3ccc(F)cc3)SC2=S)c1 3461952 NQYZDBXSCFXEII-HMAPJEAMSA-N 435.545 6.119 10 50 IKCA CCCCC1(Cc2ccc(Cl)cc2)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O 2377389 RKQGCKRPIYEQQP-UHFFFAOYSA-N 432.951 6.054 10 50 IKCA CCCCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccccc2)SC1=S 33939546 GDWVFUBUKLCCAI-OQKWZONESA-N 447.629 6.321 10 50 IKCA Cc1ccc(Nc2cc(Sc3ccccc3)c3noc4c3c2C(=O)c2ccccc2-4)cc1 2316105 FZBLFZJLKUWTQE-UHFFFAOYSA-N 434.520 7.242 10 50 IKCA O=C1/C(=C/c2cn(Cc3ccccc3)c3ccccc23)SC(=S)N1c1ccccc1F 3000851 GWLZGGVQEBBKFW-UCQKPKSFSA-N 444.556 6.235 10 50 IKCA CCOc1ccc(-c2nc(COC(=O)[C@H](CC)Cc3ccc(N)cc3)cs2)cc1OC 225613473 YDMWATHZXWZWIT-QGZVFWFLSA-N 440.565 5.112 10 50 IKCA CCOC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@H]1CN3[C@@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21 239347346 MTOGYYHZWXZMBK-PDLBJYQGSA-N 442.515 5.666 10 50 IKCA CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C2c1ccccc1C(=O)O 3881461 AGCPHOZQIZDSRS-UHFFFAOYSA-N 444.575 6.363 10 50 IKCA CC(=O)N[C@@H](NC(=S)Nc1ccc(/N=N/c2ccccc2)cc1)C(Cl)(Cl)Cl 17821755 XGFZZURANXHOPT-JAFLTTMTSA-N 444.775 5.221 10 50 IKCA O=C1/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC(=S)N1C[C@@H]1CCCO1 1028537 QNAPXNYKNJLCJG-YRUBURHZSA-N 440.373 5.634 10 50 IKCA O=C1/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC(=S)N1c1ccccc1 13600724 SXZLMCMBOMPILF-WOJGMQOQSA-N 442.905 5.914 10 50 IKCA Cc1cc(C(=O)CSc2nnc3sc4ccccc4n23)c(C)n1-c1ccccc1F 628310 QJHYRJGLRCSKLD-UHFFFAOYSA-N 436.537 5.466 10 50 IKCA COCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cc(C)ccc2C)SC1=S 2279135 ZLGKFHWQJRABTK-KGENOOAVSA-N 449.601 5.004 10 50 IKCA COc1ccc(C=CC=C2C(=O)N(c3c(F)c(F)c(C)c(F)c3F)N=C2C(C)(C)C)cc1 2041576648 WGUNSZPAACSIAQ-UHFFFAOYSA-N 446.444 5.949 10 50 IKCA O=C(/C=C/c1ccccc1Cl)N1CCN(c2ccc(OCc3ccccc3)cc2)CC1 2789431 YOJQDCWCWCRTNF-XNTDXEJSSA-N 432.951 5.281 10 50 IKCA CCOc1cc(/C=C2\SC(c3ccc(C)cc3)=NC2=O)c(Br)cc1OC 13882078 OVBWIMOAGUJILH-ZDLGFXPLSA-N 432.339 5.226 10 50 IKCA CC[C@@H](C)c1ccc(OCCCOc2cccc(/C=C3/SC(=S)NC3=O)c2)cc1 2878293 NSAVNMFWABJAGL-GXPOEHQZSA-N 427.591 5.537 10 50 IKCA Cc1cc(I)cc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@@H]21 13562254 XHUJUZMMNHEFPO-GPMSIDNRSA-N 432.261 5.334 10 50 IKCA CC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S 8763402 QQLQLMZZXTVYSS-LIOBOASVSA-N 442.345 5.318 10 50 IKCA O=C1/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)SC(=S)N1C[C@@H]1CCCO1 13590969 NVNXJRIIIGQALF-YRUBURHZSA-N 440.373 5.634 10 50 IKCA CN(C)c1ccc([C@H]2Oc3c(Cl)cc(Cl)cc3[C@@H]3CC(c4ccccc4)=NN32)cc1 25578325 DDFODXNBWVAKQG-LADGPHEKSA-N 438.358 6.302 10 50 IKCA CC[C@@H](C)c1ccccc1OCCCOc1ccc(/C=C2/SC(=S)N(C)C2=O)cc1 2878582 SIAXBDHSHKFNFW-FIOICXDGSA-N 441.618 5.879 10 50 IKCA COc1ccc2c(c1)S[C@@H](c1cc3c(cc1Cl)OCO3)CCN2Cc1[nH]cnc1C 12246432 SOOZCPZAOAZZKV-OAQYLSRUSA-N 443.956 5.353 10 50 IKCA CCCC(=O)N[C@H](c1ccc(N(CC)CC)cc1)c1cc(Cl)c2cccnc2c1O 2815449 WHQCGANOTXJOPB-JOCHJYFZSA-N 425.960 5.446 10 50 IKCA O=C1C(=CNc2ccc(Cl)c(F)c2)C(=O)N(C2CCCCC2)C(=O)N1C1CCCCC1 6974315 PHWCIOKQLCLWJO-UHFFFAOYSA-N 447.938 5.231 10 50 IKCA CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C)C2=O)c(C)c1 13646270 ODNJDHVPKLZKRC-MOSHPQCFSA-N 435.574 5.077 10 50 IKCA Cc1ccc(Nc2nc3ccc(C)cc3c(-c3ccccc3)c2C)c(C(=O)c2ccccc2)c1 9600979 CFGPMUDWDOUZAT-UHFFFAOYSA-N 442.562 7.802 10 50 IKCA CC[C@@H](C)N1C(=O)/C(=C/c2ccc(OC(=O)/C=C/c3ccc(C)cc3)cc2)SC1=S 16713530 ARAPOJPBJLZXLU-BYDFVIOCSA-N 437.586 5.614 10 50 IKCA CC(C)CN1C(=O)/C(=C2/C(=O)N(Cc3ccccc3Cl)c3ccccc32)SC1=S 2672514 IBUWWVIOEPAQRT-HNENSFHCSA-N 442.993 5.114 10 50 IKCA Cc1cccc(N2C(=O)/C(=C/c3ccc(I)cc3)SC2=S)c1 2916193 CFUDKPKJFDBUQJ-GDNBJRDFSA-N 437.327 5.005 10 50 IKCA Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)o1 15011913 DWXRGKVVJUXZKF-UDWIEESQSA-N 435.526 5.355 10 50 IKCA COc1ccc(C(=O)N[C@H](c2ccc(OC)c(OC)c2)c2c(O)ccc3ccccc23)cc1 2978563 GBOPJVHLQFLIBP-AREMUKBSSA-N 443.499 5.091 10 50 IKCA CC(C)N1C(=O)/C(=C/c2ccc(COc3ccc(Cl)cc3[N+](=O)[O-])o2)SC1=S 1019151 YUSZPCCRIWLVFJ-PXNMLYILSA-N 438.914 5.030 10 50 IKCA C[C@H]1CN(C2=NC(=O)/C(=C\c3ccc(-c4cccc(C(F)(F)F)c4)o3)S2)C[C@@H](C)O1 15799320 UXLCMHBQTNGESC-ZDDMZOBVSA-N 436.455 5.045 10 50 IKCA O=C(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2)N1CCCc2ccccc21 35347551 YMDXXZNDQQUJMI-KHVXQDHOSA-N 440.974 6.760 10 50 IKCA O=C(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2)N1CCCc2ccccc21 3000128 YMDXXZNDQQUJMI-QSEAXJEQSA-N 440.974 6.760 10 50 IKCA Cc1ccc2ccc([C@@H](Nc3ccccn3)c3cccc(OCc4ccccc4)c3)c(O)c2n1 6456128 HCTZDSCZZMIZFD-MHZLTWQESA-N 447.538 6.424 10 50 IKCA CCOc1cccc(CN(Cc2cccnc2)C[C@@H]2CCCN(C3CCCCC3)C2)c1O 55060501 MVACPMURBDJARJ-QHCPKHFHSA-N 437.628 5.233 10 50 IKCA O=C1/C(=C/c2ccccc2OCc2ccccc2F)SC(=S)N1Cc1ccco1 1101069 QDXBMTYDNMTSDP-NDENLUEZSA-N 425.506 5.399 10 50 IKCA Nc1c(Cl)cc(N2C(=O)c3cc4cccc(Br)c4cc3C2=O)cc1Cl 1203398 FSRMYFPCOQXADB-UHFFFAOYSA-N 436.092 5.292 10 50 IKCA CCN1C(=O)/C(=C\c2ccccc2OCCCOc2ccc(Cl)c(C)c2)SC1=S 22257313 RQVPMIJSLIUSDS-XSFVSMFZSA-N 448.009 5.717 10 50 IKCA Cc1ccc(C(C)C)c(OCCCOc2cccc(/C=C3/SC(=S)N(C)C3=O)c2)c1 2882447 OMZJWLWVOMRWKW-PXLXIMEGSA-N 441.618 5.797 10 50 IKCA CCOc1cccc(CN2CCC[C@@H](c3[nH]ncc3-c3cccc(C(F)(F)F)c3)C2)c1O 15070449 QURBKXHDSIQEOM-QGZVFWFLSA-N 445.485 5.579 10 50 IKCA COc1ccc(Oc2c(C(F)(F)F)oc3c(CN4CCCCC4)c(O)ccc3c2=O)cc1 19789762 UIIICUBQSNGPEX-UHFFFAOYSA-N 449.425 5.304 10 50 IKCA biogenic CCc1ccc(OCCCOc2ccccc2/C=C2/SC(=S)N(CC)C2=O)cc1 2882431 BVASYEMJWYILKM-LTGZKZEYSA-N 427.591 5.318 10 50 IKCA Oc1ccc(Br)cc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc(F)cc3)=NN21 25572778 IEFJFGHRKIGBDM-UGKGYDQZSA-N 439.284 5.536 10 50 IKCA COc1ccc2c(c1)S[C@@H](c1cccc(F)c1)CCN2Cc1cccc2nccnc12 12159114 YUKCUPPAPAJJGJ-HSZRJFAPSA-N 431.536 6.021 10 50 IKCA Clc1cccc([C@@H]2[C@@H]3CC=C[C@@H]3c3c4c(cc5ccccc35)[C@@H]3C=CC[C@@H]3CN42)c1Cl 250509708 OOLWDDHOESJTDM-FJJGKMIKSA-N 444.405 8.041 10 50 IKCA COc1ccccc1-c1c(C(F)(F)F)oc2c(CN3CCCCCC3)c(O)ccc2c1=O 1780031 KJEXVWOIFYUOMU-UHFFFAOYSA-N 447.453 5.569 10 50 IKCA biogenic Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C(C)C)C2=O)cc1F 2533065 AHNPXZQSFPQUGI-NDENLUEZSA-N 437.565 5.596 10 50 IKCA CCN1C(=O)/C(=C/c2cc(Cl)ccc2OCCOc2cc(C)cc(C)c2)SC1=S 2977027 FWPWONBDZYBZAE-MOSHPQCFSA-N 448.009 5.636 10 50 IKCA CCOc1cc([C@H](Nc2cc(C)ccn2)c2ccc3ccc(C)nc3c2O)ccc1OC 6387288 DFGDEHMIIPYKSL-DEOSSOPVSA-N 429.520 5.561 10 50 IKCA CCOc1c(Cl)cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1Cl 9295907 HIOKEFGEZZKVIO-ATVHPVEESA-N 438.401 5.836 10 50 IKCA Cc1ccnc(N[C@@H](c2cccc(Br)c2)c2ccc3ccc(C)nc3c2O)c1 15016654 PZEUMJUWHZCRJQ-NRFANRHFSA-N 434.337 5.916 10 50 IKCA COc1ccc(O)c(CN2CCc3cc(OC)c(OC)cc3[C@@H]2c2cccc(Cl)c2)c1 16672204 YIKOBSATCXWBPI-VWLOTQADSA-N 439.939 5.219 10 50 IKCA CC[C@H](C)c1ccc(OCCOc2ccc(C)cc2/C=C2\SC(=S)N(C)C2=O)cc1 22358376 NCRCVOURCQUKDS-WPGBELRESA-N 441.618 5.797 10 50 IKCA Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C2=O)cc1 6798465 ZNUAQHKKOQPAIF-WJDWOHSUSA-N 441.270 5.228 10 50 IKCA O=C(c1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@@H]21)N1CCOCC1 16115426 MZXBRFVCLOJESL-ZOCZFRKYSA-N 429.347 5.292 10 50 IKCA Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)C(O)=NC2=S)cc1 1105340 CFBOTFZBWNRMLJ-XDHOZWIPSA-N 447.472 5.143 10 50 IKCA COc1ccccc1/C=C1\SC(=S)N(CNc2ccc(Cl)c(Cl)c2)C1=O 334160766 LVWKYFYJHOARQL-PXNMLYILSA-N 425.362 5.273 10 50 IKCA COc1ccc(CN2C(=O)/C(=C/c3ccccc3OCc3ccccc3)SC2=S)cc1 2938331 DURJTPUXLPJOST-HAHDFKILSA-N 447.581 5.676 10 50 IKCA CCOC(=O)[C@@H](Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1CC)c1ccccc1 2905910 GZNJRBHOGAYPII-SANMLTNESA-N 428.484 5.706 10 50 IKCA Cc1nn(-c2ccccc2I)c(C)c1/N=N/c1cccc([N+](=O)[O-])c1 17070450 DUPWKGBRMFGQLT-FMQUCBEESA-N 447.236 5.417 10 50 IKCA COc1ccc(NC(=O)c2c(NCc3ccc(C)o3)sc3c2CC[C@H](C)C3)c(OC)c1 729124 KBLIPTCCPDKSAU-AWEZNQCLSA-N 440.565 5.656 10 50 IKCA Cc1ccc(NC(=O)c2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)cc1C 8826642 RMDUQQKTACWYSS-UHFFFAOYSA-N 427.507 6.959 10 50 IKCA COc1ccc(C(=O)N[C@@H](c2ccc(C)cc2)c2cc(Cl)c3cccnc3c2O)cc1 15821574 MDWNHEVMSYQJKP-QFIPXVFZSA-N 432.907 5.430 10 50 IKCA biogenic COc1cccc(C(=O)N[C@@H](c2ccccc2OC)c2cc(Cl)c3cccnc3c2O)c1 20755893 HRRRIURHGMFFFH-QFIPXVFZSA-N 448.906 5.130 10 50 IKCA CN(C)c1ccc(/C=C2/C(=O)N(c3ccc(Br)cc3)N=C2c2ccccc2)cc1 3877660 XAIUYGMTCFRGEH-CJLVFECKSA-N 446.348 5.350 10 50 IKCA CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C(C)C)C2=O)cc1 19878942 FSVNRGYTDNJSHU-KGENOOAVSA-N 449.601 5.548 10 50 IKCA CCOc1ccc([C@H](Nc2cc(C)ccn2)c2ccc3cccnc3c2O)cc1OCC 6388882 RGSVHTDNNWJMKH-DEOSSOPVSA-N 429.520 5.643 10 50 IKCA CCCCCC(=O)OCC1(COC(=O)CCCCC)Nc2cccc3cccc(c23)N1 197136981 QSFJUUMRGANWPK-UHFFFAOYSA-N 426.557 5.621 10 50 IKCA O=C1/C(=C/c2cn(Cc3ccccc3)c3ccccc23)SC(=S)N1c1ccc(F)cc1 3001267 CNTVQBPMIFBKAW-UCQKPKSFSA-N 444.556 6.235 10 50 IKCA Cc1cccc(COc2ccccc2/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c1 15010741 GJCFKQQJTKEJTP-ULJHMMPZSA-N 445.609 6.018 10 50 IKCA COC(=O)C1=C(c2ccccc2)S/C(=C2\C(=S)C(C)(C)Nc3ccccc32)S1 2067414 HDJBMCKNXAQGRX-LTGZKZEYSA-N 425.600 5.951 10 50 IKCA O=C1/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC(=S)N1c1cccc(Cl)c1 1206363 HAVSHCATMXTJOJ-WQRHYEAKSA-N 442.905 5.914 10 50 IKCA Cc1ccc(/C=C2\C(=O)N(c3nc(-c4ccc(Cl)cc4)cs3)N=C2c2ccccc2)o1 4180125 SQEGOBAPAHPACT-MOSHPQCFSA-N 445.931 6.199 10 50 IKCA Cc1cc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)NC2=O)ccc1OCC(C)C 22309772 ROVNKHKMAMTMCL-CIAFOILYSA-N 449.601 5.371 10 50 IKCA O=C(O)c1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccc(Cl)cc4)C3=O)o2)cc1 2994162 OCBZXTUTFCAPMJ-WOJGMQOQSA-N 441.917 5.704 10 50 IKCA CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(Cl)c(Cl)c1 14009197 WTOQDPBERXPQJY-BOPFTXTBSA-N 432.303 5.269 10 50 IKCA CCc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)C2=O)cc1 16193469 TUJZBCBYSOLHBZ-UYRXBGFRSA-N 445.431 5.232 10 50 IKCA CCN1C(=O)/C(=C/C=C2N(CC)c3cc(Cl)c(Cl)cc3N2CC)SC1=S 22358482 YFSIPFPKIIRNPD-CHHVJCJISA-N 428.410 5.265 10 50 IKCA O=C(COC(=O)c1ccc2c3c1[C@@H]1C=CC[C@@H]1CN3C[C@@H]1CC=C[C@H]21)c1ccc(Cl)cc1 245377245 JMZLFTVBMPZFSD-IZZBFERCSA-N 445.946 5.533 10 50 IKCA COc1ccc(O)c(CN2CCC[C@H](c3[nH]ncc3-c3cccc(C(F)(F)F)c3)C2)c1 14997530 NLIGNKKAIYPFNJ-INIZCTEOSA-N 431.458 5.189 10 50 IKCA CCN(CC)c1ccc(/C=C(/NC(=O)c2ccc(C)cc2)C(=O)Nc2ccc(C)cc2)cc1 16156465 OQZHLBAGIDNSML-LGUFXXKBSA-N 441.575 5.559 10 50 IKCA CCN1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccc(C)cc2)SC1=S 22242068 KROTYORUTVYSQU-WOJGMQOQSA-N 448.407 5.558 10 50 IKCA O=C(N[C@H](c1ccc(Cl)cc1)c1cc([N+](=O)[O-])c2cccnc2c1O)C1CCCCC1 1133556 RTRGJVZFNYOBAE-HXUWFJFHSA-N 439.899 5.288 10 50 IKCA CCCOc1ccc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)cc1OCC 16713631 XAFMWKYLQPKDEI-NOEYKIMYSA-N 427.591 5.837 10 50 IKCA COc1cccc(C(=O)N[C@H](c2ccccc2OC)c2cc(Cl)c3cccnc3c2O)c1 20755898 HRRRIURHGMFFFH-JOCHJYFZSA-N 448.906 5.130 10 50 IKCA COc1ccc(C=C2C(=O)N(c3ccc(C)cc3)C(=S)N(c3ccc(C)cc3)C2=O)cc1 1205941 POPIZHNGXHPPQE-UHFFFAOYSA-N 442.540 5.060 10 50 IKCA CCn1cc(CN2CC[C@@H](c3ccc(F)c(F)c3)Sc3cc(OC)ccc32)c(C)n1 12471175 JXCJWHCBRWHISB-QFIPXVFZSA-N 429.536 5.742 10 50 IKCA O=C1/C(=C\c2ccccc2OCCCOc2ccccc2)SC(=S)N1c1ccccc1 15856206 UHHNSGNHPMLBPJ-PTGBLXJZSA-N 447.581 5.940 10 50 IKCA Cc1cc(I)cc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21 677160 TWHFOXCYUSMAFM-JTDSTZFVSA-N 432.261 5.334 10 50 IKCA O=C(CCc1ccccc1)N[C@H](c1ccc([N+](=O)[O-])cc1)c1c(O)ccc2ccccc12 801040 WBKUPKIFXMUTBN-AREMUKBSSA-N 426.472 5.292 10 50 IKCA CN1C(=O)/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])SC1=S 1160317 JUWVTBUGTPBOJG-NVNXTCNLSA-N 440.424 5.237 10 50 IKCA Cc1ccc(COc2ccc(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)cc2)cc1 2844118 XWMVGOJGEGELAN-HZHRSRAPSA-N 431.582 5.975 10 50 IKCA Oc1ccc(-c2ccccc2)cc1CN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 14983872 BMRJHGTXKNVDJJ-UHFFFAOYSA-N 427.466 5.562 10 50 IKCA CC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S 8763403 QQLQLMZZXTVYSS-MGMWDDNKSA-N 442.345 5.318 10 50 IKCA COc1ccc([C@@H]2N=NC(C3C(=O)c4ccccc4C3=O)=C[C@H]2c2ccccc2)cc1OC 103465892 AGZYMSLTCSDPPF-CPJSRVTESA-N 438.483 5.574 10 50 IKCA O=C(COC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@H]21)c1ccc(Cl)cc1 18207041 WKHHQLYYQNVCOK-YHBROIRLSA-N 445.946 5.533 10 50 IKCA C[C@@H]1CCCCN1C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 239287372 CRBAGAYXTWLVSR-OQVWYGCZSA-N 441.402 6.835 10 50 IKCA CC(=O)Oc1ccc([C@@H]2Nc3c(C(=O)c4ccccc4)cc(Cl)cc3[C@H]3C=CC[C@@H]32)cc1 9600884 SZTXVDPMMIVKNV-HWBMXIPRSA-N 443.930 6.323 10 50 IKCA COc1cc2c(cc1OC)CN(Cc1c(O)ccc3occ(C(=O)c4ccsc4)c13)CC2 253401219 FKZVXOWAYHYOSN-UHFFFAOYSA-N 449.528 5.006 10 50 IKCA biogenic Cc1cccc(C2=NN3C(=N)/C(=C\c4ccc(-c5ccccc5Cl)o4)C(=O)N=C3S2)c1 16212636 XAKSISKGPUAKEI-NFBUKIRSSA-N 446.919 5.576 10 50 IKCA CCCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)SC1=S 25581285 GWAQBXYMGYFLLM-CJLVFECKSA-N 447.629 6.239 10 50 IKCA C[C@@H]1CCCCN1C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2 239287373 CRBAGAYXTWLVSR-WCGJNUNOSA-N 441.402 6.835 10 50 IKCA Cc1cc(I)cc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21 8435034 TWHFOXCYUSMAFM-TXPKVOOTSA-N 432.261 5.334 10 50 IKCA CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC)C2=O)cc1C 9348537 OWDLGMUIGXKSRI-STZFKDTASA-N 449.601 5.468 10 50 IKCA Cc1ccc(OCc2ccccc2)c(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1 2811626 KCXCRERKMODCOY-HAHDFKILSA-N 431.582 5.975 10 50 IKCA CCCCC1(CC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O 13645259 RGXSHOGFLVZTOM-UHFFFAOYSA-N 441.531 5.187 10 50 IKCA Oc1cc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc(Br)c1O 15016583 IWOGNFWRYJDTCR-UHFFFAOYSA-N 433.305 6.003 10 50 IKCA Cc1cc2nnc(SCC(=O)c3cc(C)n(-c4cccc(F)c4)c3C)n2c2ccccc12 628174 GXTNQZAEWGHAOO-UHFFFAOYSA-N 444.535 5.713 10 50 IKCA O=C1/C(=C/c2cn(Cc3ccccc3)c3ccccc23)SC(=S)N1Cc1ccco1 1112671 PSOADDHALSLEKV-XKZIYDEJSA-N 430.554 5.684 10 50 IKCA CCN1C(=O)/C(=C/c2cc(Cl)ccc2OCCOc2c(C)cccc2C)SC1=S 2977873 PLJCXBYWELODQT-UYRXBGFRSA-N 448.009 5.636 10 50 IKCA COc1ccc(/N=N/c2c(O)c(C(=O)Nc3ccccc3OC)cc3ccccc23)cc1 102301156 CISDZWIPNCIQFD-BYYHNAKLSA-N 427.460 6.230 10 50 IKCA CCN1C(=O)/C(=C/c2ccc(OC)c(COc3cccc4cccnc34)c2)SC1=S 1015912 YSOUEAMGLQEEEJ-MOSHPQCFSA-N 436.558 5.044 10 50 IKCA CCCC1=NN2C(=N)/C(=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)C(=O)N=C2S1 30684131 DQBCVEIFEHGLPO-ANVLOLRKSA-N 433.320 5.673 10 50 IKCA O=C1/C(=C\C=C2\SCCN2CCc2ccccc2)SC(=S)N1Cc1ccccc1 8395839 SVZCSMQWWFAMHS-HGEIODPWSA-N 438.643 5.064 10 50 IKCA Cc1cc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C)C2=O)ccc1OC(C)C 13801372 ZVTXINYZIGMZDV-BKUYFWCQSA-N 449.601 5.466 10 50 IKCA CC(C)c1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)CN=[N+]=[N-])c2ccccc2)cc1 111954725 HSXWGWBEPUSWEK-DEOSSOPVSA-N 433.556 5.644 10 50 IKCA Cc1ccnc(N[C@H](c2cccc(Br)c2)c2ccc3ccc(C)nc3c2O)c1 15016655 PZEUMJUWHZCRJQ-OAQYLSRUSA-N 434.337 5.916 10 50 IKCA Cc1ccc(CN2C(=O)/C(=C3\SC(=S)N(C4CCCCC4)C3=O)c3ccccc32)cc1 16729784 UVWQHKKSKHQNRX-DQRAZIAOSA-N 448.613 5.446 10 50 IKCA CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccs1 11859183 CMDHAQDQVSMWCQ-BKUYFWCQSA-N 444.947 6.060 10 50 IKCA CN(C)c1ccc(CN(C(=O)c2cc(-c3ccc(Cl)cc3)on2)c2ccccn2)cc1 28292511 KGNXBADFLMXOSC-UHFFFAOYSA-N 432.911 5.303 10 50 IKCA CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCCOc1ccccc1Cl 15800580 SEKIDHHWCCZPIC-UYRXBGFRSA-N 449.981 5.028 10 50 IKCA O=C1/C(=C\c2ccc(Br)o2)SC(=S)N1c1ccc(Cl)c(Cl)c1 9310237 LMIGKADBRFUULX-IZZDOVSWSA-N 435.151 5.755 10 50 IKCA O=C(Oc1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc1)c1cccs1 2821825 HAPCCOZJRRGWAL-PDGQHHTCSA-N 441.530 5.512 10 50 IKCA CCN1C(=O)/C(=C/c2ccc(OCc3cccc(C)c3)c(Br)c2)SC1=S 2822418 OVFIYKNRYCDWSN-WQRHYEAKSA-N 448.407 5.558 10 50 IKCA CCCC1=NN2C(=N)/C(=C/c3cn(Cc4ccc(F)cc4)c4ccccc34)C(=O)N=C2S1 8838179 NRCBZMWJUMFBSC-ZKZDLDBDSA-N 445.523 5.248 10 50 IKCA COc1ccc(-c2ccc(/C=C3\SC(=S)N(c4ccccc4C)C3=O)o2)cc1Cl 1160243 TWYNFMULUCAPFS-NDENLUEZSA-N 441.961 6.323 10 50 IKCA CC[C@H](C)c1ccc(OCCCOc2cccc(/C=C3/SC(=S)NC3=O)c2)cc1 2878295 NSAVNMFWABJAGL-WASCAKKMSA-N 427.591 5.537 10 50 IKCA CCOc1c(Br)cc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3C=CC[C@H]32)cc1OC 15219291 PRULTHQJMVFROH-SXGZJXTBSA-N 445.313 5.591 10 50 IKCA CN1C(=O)/C(=C\c2ccccc2OCCOc2ccc(C(C)(C)C)cc2)SC1=S 2962401 MRXSMCXAPSCRGH-HMMYKYKNSA-N 427.591 5.273 10 50 IKCA Cc1ccc(S(=O)(=O)Nc2ccc(O)c(Sc3nc4ccccc4s3)c2)cc1 944112 OUOLOFHQNYOJJP-UHFFFAOYSA-N 428.560 5.262 10 50 IKCA CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)ccc1OCCSc1ccccc1 3000691 KBHRXXJOCBWCDC-HKWRFOASSA-N 445.631 5.478 10 50 IKCA CC[C@@H](C)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)SC1=S 2367709 RXTNFGXKMQIACF-CTFRJJSNSA-N 437.565 5.678 10 50 IKCA Cc1ccccc1OCCCOc1ccc(Cl)cc1/C=C1/SC(=S)N(C)C1=O 2878468 JTCQMNQDMSPRCR-CPNJWEJPSA-N 433.982 5.327 10 50 IKCA COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(N(C)C)cc2)cc1 6135916 DMXOQHWJPHAHJT-UKILVPOCSA-N 433.939 5.657 10 50 IKCA CC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Br)c1)N3C[C@@H]1CC=C[C@H]21 239339138 LTANIYNVENJTCN-VSALZBCGSA-N 446.388 6.546 10 50 IKCA CCCc1ccc(C(=O)C[C@@H](c2ccccc2)C2(Cl)C(=O)c3ccccc3C2=O)cc1 864598 OHFKFWICULLBAT-QHCPKHFHSA-N 430.931 6.053 10 50 IKCA Cc1ccc(CN2C(=O)/C(=C/c3ccc(OC(=O)c4ccco4)cc3)SC2=S)cc1 1164547 MABNJTPYJYTFMC-MOSHPQCFSA-N 435.526 5.209 10 50 IKCA O=C1/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC(=S)N1Cc1cccnc1 15010813 DYLCTXFYNYOAEF-ZDLGFXPLSA-N 446.475 5.762 10 50 IKCA CC[C@H](C)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)SC1=S 2196307 AFDVSWRCFVOOCX-XESZTULISA-N 433.602 5.847 10 50 IKCA O=C1NC(=S)S/C1=C\c1ccccc1OCCOc1ccc(C2CCCCC2)cc1 2993810 ZLNVGKCCNRAMDP-JWGURIENSA-N 439.602 5.681 10 50 IKCA O=C(O)c1cc(-c2ccc(/C=C3\NC(=O)N(c4cccc(Cl)c4)C3=O)o2)ccc1Cl 8396318 BNTARNHDZXEHHY-YVLHZVERSA-N 443.242 5.049 10 50 IKCA CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)cc(Cl)c1OCc1ccccc1 13898822 UGYGDZQDWRRZCV-LDADJPATSA-N 433.982 5.539 10 50 IKCA CCOC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N3C[C@H]1CC=C[C@@H]21 101123343 HIMBFNXQVZJWIJ-PLNGWDEDSA-N 442.515 5.666 10 50 IKCA CCOc1cccc(CN2CCC(c3[nH]ncc3-c3cccc(C(F)(F)F)c3)CC2)c1O 12246099 QHOIVKPLFMGAOF-UHFFFAOYSA-N 445.485 5.579 10 50 IKCA CCN(CC)Cc1cc(CN[C@H](C)c2cnn(-c3ccc(F)cc3F)c2C)ccc1OC 12480886 SWFPGDLVJWRTLK-QGZVFWFLSA-N 442.554 5.160 10 50 IKCA CC[C@H](C)c1ccc(OCCCOc2ccc(/C=C3/SC(=S)N(C)C3=O)cc2)cc1 2882480 BRYDTZLOWJWVDZ-JMMZKRSASA-N 441.618 5.879 10 50 IKCA COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(N(C)C)cc2)cc1 6136002 DMXOQHWJPHAHJT-ZCYQVOJMSA-N 433.939 5.657 10 50 IKCA C[C@@H](Oc1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc1)c1ccccc1 16193307 CLRSSTQQYNXACC-GRVPHDJPSA-N 435.545 6.372 10 50 IKCA COc1ccc2c(c1)S[C@H](c1ccccc1C(F)(F)F)CCN2Cc1cnn(C)c1 299791500 GOTYBNLSUGYFKP-FQEVSTJZSA-N 433.499 5.691 10 50 IKCA O=C(N1CCN(c2ccc(OCc3ccccc3)cc2)CC1)C12CC3CC(CC(C3)C1)C2 4619377 ZLAJRLTUKYIQBL-UHFFFAOYSA-N 430.592 5.131 10 50 IKCA COc1ccc(/C=C2/SC(=S)N(C(C)C)C2=O)cc1COc1cc(C)cc(C)c1 20602355 ILNUVSHDQCRMHT-CIAFOILYSA-N 427.591 5.501 10 50 IKCA O=C1/C(=C/c2ccc(Cl)cc2Cl)SC(=S)N1c1ccc(Br)cc1 1908670 NLADSJLRXSKLPG-AUWJEWJLSA-N 445.190 6.162 10 50 IKCA COc1ccccc1-n1c(C)cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1C 16192989 LHALUEIMKDKDRZ-HMAPJEAMSA-N 434.586 5.504 10 50 IKCA O=C(COC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@@H]21)c1ccc(Cl)cc1 101406122 WKHHQLYYQNVCOK-MCEIDBOGSA-N 445.946 5.533 10 50 IKCA Cc1cc(I)cc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@H]21 13562253 XHUJUZMMNHEFPO-TXPKVOOTSA-N 432.261 5.334 10 50 IKCA CCN1C(=O)/C(=C\c2ccccc2OCCCOc2ccc(C)c(C)c2)SC1=S 22257340 BGHMMGGFOFPHPN-RCCKNPSSSA-N 427.591 5.372 10 50 IKCA CC(C)(C)c1ccc(OCCOc2ccc(Cl)cc2/C=C2\SC(=S)NC2=O)cc1 13896255 PJQPYQZYHSUTGA-UYRXBGFRSA-N 448.009 5.584 10 50 IKCA CCOC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N3C[C@@H]1CC=C[C@H]21 239309231 HIMBFNXQVZJWIJ-VSALZBCGSA-N 442.515 5.666 10 50 IKCA Cc1ccc(NC2=NC(=O)/C(=C/c3ccc(-c4ccc(C(=O)O)cc4)o3)S2)cc1Cl 2909342 OEMBOCLHKVXZMI-ODLFYWEKSA-N 438.892 5.689 10 50 IKCA COc1ccc(CN(Cc2cccnc2)CC2CCN(Cc3ccccc3C)CC2)c(O)c1 11821922 JKEQLJSGEYBEAB-UHFFFAOYSA-N 445.607 5.019 10 50 IKCA COc1ccc(O)c(CN2CC[C@@H](c3ccccc3F)Sc3cc(OC)ccc32)c1 14880178 DDYQRKBERCVVGU-QHCPKHFHSA-N 425.525 5.792 10 50 IKCA COC(=O)c1ccccc1-c1ccc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)o1 1140013 SMQLHVUCAPOZMG-XDHOZWIPSA-N 439.489 5.278 10 50 IKCA CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)ccc1OCc1ccc2ccccc2c1 3462593 MMOJOSJAJSJBPV-HAHDFKILSA-N 449.597 6.039 10 50 IKCA Cc1ccc2ccc([C@H](Nc3ccccn3)c3ccc(OCc4ccccc4)cc3)c(O)c2n1 8432701 YAKIHTLSDZJKPO-HHHXNRCGSA-N 447.538 6.424 10 50 IKCA COc1ccc(NC(=O)c2cc(/N=N/c3ccc(O)cc3Cl)c3ccccc3c2O)cc1 4113472 WPQKAKZCMWVEHG-BYYHNAKLSA-N 447.878 6.581 10 50 IKCA CCN1C(=O)/C(=C\c2ccc(OCCCOc3ccc(Cl)cc3)cc2)SC1=S 6470570 UHIJWEHVGJGYQK-XMHGGMMESA-N 433.982 5.409 10 50 IKCA O=C1c2ccccc2C(=O)c2c(NC(=O)[C@@H](Sc3ccccc3)c3ccccc3)cccc21 8443784 RBPQWNGXGAXVKL-MHZLTWQESA-N 449.531 5.934 10 50 IKCA Cc1ccc(C)c(OCCOc2ccc(Cl)cc2/C=C2\SC(=S)N(C)C2=O)c1 22229208 WAKLBMKMJRBWSK-UNOMPAQXSA-N 433.982 5.246 10 50 IKCA CCN1C(=O)/C(=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)SC1=S 6353583 JRHXVNDHWRCULP-DJKKODMXSA-N 447.412 6.218 10 50 IKCA O=C(c1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@@H]21)N1CCOCC1 103216994 MZXBRFVCLOJESL-XFQAVAEZSA-N 429.347 5.292 10 50 IKCA O=C(N[C@H](/C=C/c1ccccc1)c1cc([N+](=O)[O-])c2cccnc2c1O)C1CCCCC1 2488194 IQFVNDZPBHFOQT-QZMUEMGWSA-N 431.492 5.300 10 50 IKCA C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)SC1=S 2678082 CKKSJKJMNJJDCK-PAJXCOJRSA-N 431.582 6.228 10 50 IKCA CN(C)c1ccc(-c2nc3cc(NC(=O)c4cccc(Br)c4)ccc3o2)cc1 826366 VOKCXPZLBIDMRZ-UHFFFAOYSA-N 436.309 5.576 10 50 IKCA O=C1C(=CNc2ccc(Cl)cc2)C(=O)N(C2CCCCC2)C(=O)N1C1CCCCC1 1018116 JTKBZKAXODXLNY-UHFFFAOYSA-N 429.948 5.092 10 50 IKCA O=C1/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC(=S)N1CCC1CCCCC1 2815668 VIPRECCOANMXQY-ZHZULCJRSA-N 442.562 6.026 10 50 IKCA COc1cccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(N(C)C)cc2)c1 39944180 MJNBPQFGXZARHX-ZCYQVOJMSA-N 433.939 5.657 10 50 IKCA CCOC(=O)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)sc2c1CC[C@@H](C(C)(C)CC)C2 169619964 CHMCAONONXEMOV-BZUAXINKSA-N 449.613 5.295 10 50 IKCA CC[C@H](C)N1C(=O)/C(=C2/C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)SC1=S 2672283 FPHOLZDVSPTEKR-UNQMGURYSA-N 442.993 5.257 10 50 IKCA Cc1cccc(N2C(=O)/C(=C/c3cccc(OC(=O)c4cccs4)c3)SC2=S)c1 1117995 PAJPMQJSMJHLGD-UYRXBGFRSA-N 437.567 5.682 10 50 IKCA Cc1ccccc1[C@H]1C(/C=C2\SC(=S)NC2=O)=C(c2cccs2)Oc2ccccc21 13304027 RWBUMFPLCDRAEN-DMMSUNFISA-N 447.606 6.024 10 50 IKCA COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCCCOc1ccccc1Cl 15857113 WTSATBLSPDVROA-CPNJWEJPSA-N 449.981 5.028 10 50 IKCA CC[C@@H]1CCCCN1C(=O)CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S 1179769 DXISVFFPTQYAHX-VVZNPABPSA-N 437.030 5.113 10 50 IKCA CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cc3ccccc3n2C)SC1=S 1188260 GLMYFKNHZCQSSJ-STZFKDTASA-N 444.585 5.252 10 50 IKCA COc1ccc2c(c1)S[C@@H](c1ccc(F)cc1F)CCN2Cc1c(C)nn(C)c1Cl 12244318 JNJDZAPJNIXLOH-HXUWFJFHSA-N 449.954 5.912 10 50 IKCA CCN1C(=O)/C(=C\c2ccc(OCCCOc3ccccc3Cl)cc2)SC1=S 6470578 QTPWUFGEQNQDNS-XMHGGMMESA-N 433.982 5.409 10 50 IKCA COc1cccc(C(=O)N[C@@H](c2ccc(OC)c(OC)c2)c2c(O)ccc3ccccc23)c1 15821601 CXKKZFHOGHDFKI-SANMLTNESA-N 443.499 5.091 10 50 IKCA Cc1cccc(C)c1Nc1ccc(Nc2c(C)cccc2C)c2c1C(=O)c1ccccc1C2=O 16667059 ROXADXZZIZDALU-UHFFFAOYSA-N 446.550 7.183 10 50 IKCA CN(C)Cc1c(O)ccc2c(=O)c(Oc3ccc(C(C)(C)C)cc3)c(C(F)(F)F)oc12 19791411 NRRKBENVNSVWOS-UHFFFAOYSA-N 435.442 5.669 10 50 IKCA COc1cccc(O)c1CN1CCC(c2[nH]ncc2-c2cccc(C(F)(F)F)c2)CC1 11784545 ZYUMWXLXVAGFRJ-UHFFFAOYSA-N 431.458 5.189 10 50 IKCA O=C(Nc1cccc(-c2cc3ccccc3[nH]2)c1)C1CCN(Cc2ccccc2O)CC1 15073393 GUBWNUIPFTZVRT-UHFFFAOYSA-N 425.532 5.391 10 50 IKCA COc1cc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3C=CC[C@H]32)cc(Br)c1OC 16448867 QHCYDFLRIGCOKI-KSMMKXTCSA-N 431.286 5.201 10 50 IKCA Cc1ccc(C)c(N2CCN(Cc3cc(C)n(-c4cccc(C(F)(F)F)c4)c3C)CC2)c1 55142257 VBKCVOUNRBPBIT-UHFFFAOYSA-N 441.541 6.052 10 50 IKCA O=C1/C(=C/c2ccc(Br)cc2)SC(=S)N1c1ccc(Cl)cc1Cl 3002033 QLRCJINFGPZNPZ-AUWJEWJLSA-N 445.190 6.162 10 50 IKCA COc1ccc(-n2c(C)cc(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)c2C)cc1 1151454 MZUBSVUPZSXMFJ-HYARGMPZSA-N 434.586 5.504 10 50 IKCA COc1ccc(CCN2C(=O)/C(=C\c3cccc4ccccc34)SC2=S)cc1OC 8648167 ZBFBNIYUPPSLCH-PXLXIMEGSA-N 435.570 5.301 10 50 IKCA O=S(=O)(Nc1ccccc1F)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(F)cc1)N2 16426212 HEQWCUKWRYJVJE-IECBHUPTSA-N 438.499 5.592 10 50 IKCA O=C(C(=O)c1ccc(Oc2ccc(C(=O)C(=O)c3ccccc3)cc2)cc1)c1ccccc1 3190299 FCZHLLCAHJUHAZ-UHFFFAOYSA-N 434.447 5.610 10 50 IKCA O=C(O)CCCCCCCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S 8765658 QUSZZJKYNCWHHJ-SDXDJHTJSA-N 440.030 6.137 10 50 IKCA COCCCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)SC1=S 15684768 LKQAGUOYHQWJDW-MHWRWJLKSA-N 428.362 5.491 10 50 IKCA Clc1cccc([C@@H]2[C@@H]3CC=C[C@@H]3c3c4c(cc5ccccc35)[C@@H]3C=CC[C@H]3CN42)c1Cl 169616976 OOLWDDHOESJTDM-HZGFKZENSA-N 444.405 8.041 10 50 IKCA CCN1C(=O)/C(=C/c2ccc(OCCOc3ccccc3Cl)c(OC)c2)SC1=S 2977232 SUCYVYXOIIFRTE-UYRXBGFRSA-N 449.981 5.028 10 50 IKCA O=C(N[C@@H](Nc1ccc(/N=N/c2ccccc2)cc1)C(Cl)(Cl)Cl)c1ccco1 6445995 JYIBJKZHKXOLDT-IRCXXISZSA-N 437.714 6.233 10 50 IKCA COc1ccc([C@H](Nc2ccccn2)c2cc(Cl)c3cccnc3c2O)cc1[N+](=O)[O-] 18154485 NCUKGVAQQZZNPE-FQEVSTJZSA-N 436.855 5.107 10 50 IKCA CC[C@@H](C)c1ccc(OCCOc2ccc(/C=C3/SC(=S)N(C)C3=O)cc2)cc1 2962047 DPUJFRJDYWASKS-GXPOEHQZSA-N 427.591 5.489 10 50 IKCA Cc1cc(I)cc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@H]21 13562255 XHUJUZMMNHEFPO-FRQCXROJSA-N 432.261 5.334 10 50 IKCA CC[C@@H](C)c1ccc(OCCOc2ccc(/C=C3\SC(=S)NC3=O)cc2OC)cc1 22229219 QSEBASHNGILISI-XWCAUFEOSA-N 443.590 5.155 10 50 IKCA CCOc1cc(/C=C2\SC(=S)N(CCCc3ccccc3)C2=O)cc(Cl)c1O 2817126 BXRRMVXULSIAJA-AQTBWJFISA-N 433.982 5.278 10 50 IKCA O=C1NC(=S)S/C1=C\c1ccc(OCCOc2ccc(C3CCCCC3)cc2)cc1 2993756 LRZHZROICVYVPX-JWGURIENSA-N 439.602 5.681 10 50 IKCA N=C1/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N=C2SC(C3CCCCC3)=NN12 13942153 AXHTXLUIYSWMJV-ZTHFNACSSA-N 449.492 5.054 10 50 IKCA CCOc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc(Br)c1OCC 1140315 PNBGPVUYAZYKNM-DHDCSXOGSA-N 444.416 5.104 10 50 IKCA CCN1C(=O)/C(=C\c2cn(CCCOc3ccc(C)cc3)c3ccccc23)SC1=S 6353564 ZQJGKHCEZJBMEB-PXLXIMEGSA-N 436.602 5.640 10 50 IKCA O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1c2ccccc2cc2ccccc12 2051738 AFFUDDFWSUQVHZ-HYARGMPZSA-N 426.859 5.313 10 50 IKCA COc1ccccc1-c1c(C(F)(F)F)oc2c(CN3CCCCC3)c(O)ccc2c1=O 946468 RJOBLLNKNDGUNW-UHFFFAOYSA-N 433.426 5.179 10 50 IKCA biogenic Cc1cccc(COc2ccccc2/C=C2/SC(=S)N(Cc3ccccc3)C2=O)c1 2851980 YZMSGBITRNDRTL-HZHRSRAPSA-N 431.582 5.975 10 50 IKCA COc1ccc(OC)c(NC(=O)c2c(NCc3cccc(F)c3)sc3c2CCC3)c1 920831 PIESFNPGFTXOSN-UHFFFAOYSA-N 426.513 5.258 10 50 IKCA CCC(=O)Oc1ccc(/C=C2/C(=O)N(c3cc(Cl)cc(Cl)c3)N=C2C)cc1OC 16266094 AAVVZWJSEVZXDT-REZTVBANSA-N 433.291 5.124 10 50 IKCA Oc1ccc(Cl)cc1[C@H]1Oc2c(Cl)cc(Cl)cc2[C@@H]2CC(c3ccccc3)=NN21 25558723 VGXKXBKMGRGZBW-SIKLNZKXSA-N 445.733 6.595 10 50 IKCA CC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@H]1CN3[C@@H](c1ccc(Br)cc1)[C@H]1CC=C[C@@H]21 239433299 XMOGORDPIWNJPL-PDLBJYQGSA-N 446.388 6.546 10 50 IKCA O=C1N=C(N2C=CC(=C(O)c3ccccc3)C=C2)/C(=C\N=NC(=O)c2ccncc2)S1 334157342 DNBUJNIKIDDXGH-ZBSNLJDVSA-N 429.461 5.093 10 50 IKCA Cc1cccc(C(=O)Oc2ccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)cc2)c1 2067421 ATVRHHZTBJFHGQ-RCCKNPSSSA-N 431.538 5.620 10 50 IKCA CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)NCCSc1ccc(Cl)cc1 9210622 ZVLQXKVCSYXJEY-CPNJWEJPSA-N 442.997 5.328 10 50 IKCA COc1cc(/C=C2/C(=O)N(c3cc(Cl)cc(Cl)c3)N=C2C)ccc1OCC(C)C 105903680 ZFWNIYSNGRRXGN-FBCYGCLPSA-N 433.335 5.843 10 50 IKCA CCOC(=O)C1=C(C(=O)OCC)SC(=C2C(=S)C(C)(C)Nc3cc(C)ccc32)S1 3878845 DHKRXLFHKUMNOX-UHFFFAOYSA-N 449.619 5.055 10 50 IKCA CN(C)c1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2c(Cl)cccc2Cl)cc1 13801085 ZNWKKBDFEGEAAG-NTCAYCPXSA-N 436.342 5.929 10 50 IKCA N=C1/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N=C2SC(C3CCCCC3)=NN12 13893433 IKVQBKLILAPQRR-OMLAYDHKSA-N 449.492 5.054 10 50 IKCA Cc1ccc(C(C)C)c(OCCCOc2cccc(/C=C3/SC(=S)NC3=O)c2)c1 2882668 WEOSIIDRCBFUGK-KGENOOAVSA-N 427.591 5.455 10 50 IKCA CCCCN1C(=O)/C(=C\c2cc(-c3cccs3)nn2-c2ccccc2)SC1=S 4820506 OMGQQCUBQIULCF-XMHGGMMESA-N 425.604 5.602 10 50 IKCA CCN1C(=O)/C(=C/c2ccc(OCc3ccc(Br)cc3)cc2)SC1=S 1160908 BWNQITLQMXBYPH-BOPFTXTBSA-N 434.380 5.249 10 50 IKCA O=C1N=C(Nc2ccc(O)cc2)S/C1=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 8821000 UPQKROPZXASXBH-VCHYOVAHSA-N 431.300 6.041 10 50 IKCA CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)ccc1OCc1cccc(Cl)c1 1163690 PPVRSATWRAJPRU-UNOMPAQXSA-N 433.982 5.539 10 50 IKCA CC1=NN(c2cccc(C(=O)O)c2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 8780901 YVGLAIVFIRFRAO-BOPFTXTBSA-N 441.270 5.758 10 50 IKCA COc1cc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)cc(Br)c1OC(C)=O 2873535 GOKHBAHBEIIDIK-VGOFMYFVSA-N 449.684 5.018 10 50 IKCA Cc1ccc(COc2cccc(/C=C3\SC(=S)N(c4ccc(F)cc4)C3=O)c2)cc1 13547631 ZDQURCOXIPWRFA-HMAPJEAMSA-N 435.545 6.119 10 50 IKCA O=C1N=C(O)/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1c1cccc(F)c1 8974238 BWCQTMLPZQOPFK-XKZIYDEJSA-N 439.446 5.335 10 50 IKCA Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccc(/N=N/c4ccccc4)cc3)cc12 9057016 FFQDNOMGHJIZFU-BYYHNAKLSA-N 437.528 7.063 10 50 IKCA O=C(O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N3C[C@@H]1CC=C[C@H]21 239432932 WXZHYNIYTFJYOW-SLEIARFRSA-N 448.360 6.042 10 50 IKCA CCC1=NN2C(=N)/C(=C\c3c(C)n(Cc4cccc(C)c4)c4ccccc34)C(=O)N=C2S1 15800252 WIJKPUSLTXAFKV-FEGZGKEQSA-N 441.560 5.336 10 50 IKCA CCCN(CCC)c1ccc([C@H]2Nc3ccccc3-c3nnc(SCC)nc3O2)cc1 2906195 QICHVLKERHTPLD-QFIPXVFZSA-N 435.597 5.780 10 50 IKCA CCCC1=NN2C(=N)/C(=C/c3ccc(OCc4ccccc4Cl)cc3)C(=O)N=C2S1 9008168 WHVFNWWSRSNBBI-WPTKKBASSA-N 438.940 5.338 10 50 IKCA COc1ccc(OC)c(NC(=O)c2c(NCc3cccs3)sc3c2CCCCC3)c1 920927 AHKWXSLIFNHFET-UHFFFAOYSA-N 442.606 5.960 10 50 IKCA CCN(CC)c1ccc(/C=C/c2cc(/C=C/c3ccc(N(CC)CC)cc3)nc(N)n2)cc1 22204930 DDYCHFVBCXKHLV-KAVGSWPWSA-N 441.623 6.092 10 50 IKCA COc1ccc2c(c1)CCCN2Cn1nc(-c2ccccc2)n(-c2ccccc2)c1=S 716267 JANFGVPGOPADCZ-UHFFFAOYSA-N 428.561 5.489 10 50 IKCA Cc1ccccc1C1=NN2C(=N)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)C(=O)N=C2S1 2828154 QELVETCQCOZSGY-QDLOHUEYSA-N 446.919 5.576 10 50 IKCA O=C1N=C(O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(=O)N1c1ccccc1 13897222 AVXSNWOQUAJGIE-WJDWOHSUSA-N 437.795 5.015 10 50 IKCA O=C(/C=C/c1cccc(Cl)c1)N1CCN(c2ccc(OCc3ccccc3)cc2)CC1 2789277 MMYNXLMBQJRBCN-NTEUORMPSA-N 432.951 5.281 10 50 IKCA COC(=O)c1ccccc1-c1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)o1 8828840 LLJPZJHEYLELEQ-MOHJPFBDSA-N 448.478 5.568 10 50 IKCA CC(=O)Nc1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N3C[C@@H]1CC=C[C@H]21 247917010 GCMLMVCXNLXJOT-VSALZBCGSA-N 427.504 5.448 10 50 IKCA CCc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccc(Cl)cc3)C2=O)cc1 1186875 ZRLMEWFVYCBWQS-XMHGGMMESA-N 445.009 5.523 10 50 IKCA COc1ccc(NC(=O)c2c(NCc3ccc(C)o3)sc3c2CC[C@@H](C)C3)c(OC)c1 729125 KBLIPTCCPDKSAU-CQSZACIVSA-N 440.565 5.656 10 50 IKCA CCCC[C@@H](CC)CN1C(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S 2262476 GOKGPACYOOXYIY-CTFRJJSNSA-N 444.578 6.272 10 50 IKCA Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccccc4)c3C)C2=O)cc1 6431740 PSPRFCYWOGFTSF-HYARGMPZSA-N 445.544 5.078 10 50 IKCA O=S(=O)(Nc1ccc(O)c(-c2c(O)ccc3ccccc23)c1)c1ccc(Cl)cc1 2485286 HRMJMXZVQQTHDA-UHFFFAOYSA-N 425.893 5.372 10 50 IKCA CCOc1ccccc1CNc1sc2c(c1C(=O)Nc1ccccc1OCC)CCC2 2993737 CRLMZEUMPPCPLL-UHFFFAOYSA-N 436.577 5.899 10 50 IKCA CCN1C(=O)/C(=C\c2cc(Cl)c(OCc3ccccc3C)c(OC)c2)SC1=S 6470426 LLWGQTYWEBRNCO-WOJGMQOQSA-N 433.982 5.457 10 50 IKCA CC[C@H](C)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)SC1=S 9427722 IEMQXEAZDGYPHV-AKGOGDBKSA-N 449.601 5.548 10 50 IKCA COc1ccc2c(c1)S[C@H](c1ccc(F)cc1F)CCN2Cc1ccc(O)c(OC)c1 14883872 NBYIWCTZNCHCFB-QHCPKHFHSA-N 443.515 5.931 10 50 IKCA CC[C@H](Cc1ccc(N)cc1)C(=O)OCC(=O)N1c2ccccc2Sc2ccccc21 225613407 IXMBRVYIPSDCOS-GOSISDBHSA-N 432.545 5.210 10 50 IKCA Cc1ccc(C)c(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC(C)C)C2=O)c1 9065641 OUXWWJPJUCJNGG-XKZIYDEJSA-N 447.629 6.013 10 50 IKCA COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 8836404 QMJYALQHUQUUHD-RNHFSVANSA-N 425.484 5.519 10 50 IKCA COc1c(Cl)cc(Br)cc1/C=C1\SC(=S)N(Cc2ccco2)C1=O 16214166 LJDSYZKMFLYYCU-MLPAPPSSSA-N 444.759 5.106 10 50 IKCA O=C1/C(=C\c2ccc(Sc3ccccc3)o2)SC(=S)N1c1ccc(F)c(Cl)c1 2826279 HTSCZEHXUGMGAP-GZTJUZNOSA-N 447.965 6.629 10 50 IKCA O=C(CC1(Cc2ccc(Br)cc2)C(=O)c2ccccc2C1=O)c1ccccc1 1226281 IGMXCOYWQPHWLL-UHFFFAOYSA-N 433.301 5.330 10 50 IKCA COc1ccc([C@H](NC(=O)Cc2ccccc2)c2c(O)ccc3ccccc23)cc1OC 2870332 JBXAVKWEIYMUAH-MHZLTWQESA-N 427.500 5.011 10 50 IKCA COc1ccc(OC)c(NC(=O)c2c(NCc3ccncc3)sc3c2CC[C@H](C)C3)c1 920901 NMIYVWQXIVTRSS-HNNXBMFYSA-N 437.565 5.150 10 50 IKCA O=C1/C(=C/c2ccccc2Br)SC(=S)N1c1ccc(Cl)cc1Cl 3461531 BXQTUWZBRADAGO-AUWJEWJLSA-N 445.190 6.162 10 50 IKCA CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)NC2=O)cc1 1467445 DIFWGBBHKSMEIJ-NDENLUEZSA-N 435.574 5.063 10 50 IKCA Cc1ccc2[nH]c(C)c(/C=C3/C(=N)N4C(SCc5ccccc5)=NSC4=NC3=O)c2c1 13750440 JHJQZJQUGZYNOD-MHHBVAOCSA-N 445.573 5.295 10 50 IKCA CC[C@H](C)c1ccccc1OCCOc1ccc(/C=C2\SC(=S)NC2=O)cc1OC 15800274 IPDYYBGSVUHKOB-JTMDUIFQSA-N 443.590 5.155 10 50 IKCA O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2 22146468 XKVSHNLQIOZNHH-PQNGQFLHSA-N 445.906 6.327 10 50 IKCA Cc1ccc(C)c(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C(C)C)C2=O)c1 2324024 OOGDOACCZNZWLN-FYJGNVAPSA-N 433.602 5.766 10 50 IKCA O=C1N=C(Nc2ccc(O)cc2)S/C1=C\c1ccc(OCc2ccc(Cl)cc2)cc1 8820813 RTEVGFMQBZEBSQ-BKUYFWCQSA-N 436.920 5.707 10 50 IKCA O=C1/C(=C\c2ccc(Cl)cc2Cl)SC(=S)N1C(=O)c1ccccc1Cl 408822870 ZPSKCXHOPXERHS-VGOFMYFVSA-N 428.749 5.688 10 50 IKCA O=C1/C(=C\c2ccc(-c3ccc(F)c(Cl)c3)o2)SC(=S)N1Cc1ccccc1 9310393 PJRBFLPJWSYOSY-YBFXNURJSA-N 429.925 6.141 10 50 IKCA Cc1ccc(NCN2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)c(C)c1 334160411 DGNRTRZIHWFBQX-YVLHZVERSA-N 433.396 5.337 10 50 IKCA CCC1=NN2C(=N)/C(=C\c3c(C)n(Cc4ccccc4)c4ccccc34)C(=O)N=C2S1 15800295 FAUIPZZQWFWQFF-GNMKNICSSA-N 427.533 5.027 10 50 IKCA CCCC(=O)N[C@@H](c1ccc(Cl)cc1Cl)c1cc([N+](=O)[O-])c2cccnc2c1O 16183925 RKMZHLGFWZGENP-SFHVURJKSA-N 434.279 5.161 10 50 IKCA CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OC 1156616 WPCJQDZAUHVPJH-LICLKQGHSA-N 439.480 5.519 10 50 IKCA CCCCSc1c(C(=O)Nc2ccc(F)cc2)ccc2c1C(=O)c1ccccc1C2=O 12410830 YBEMMFHVZSMHKB-UHFFFAOYSA-N 433.504 5.746 10 50 IKCA O=C1/C(=C\c2ccc(-c3ccc(F)cc3)o2)SC(=S)N1c1cccc2ccccc12 15012067 MTSXVLTXIKRNHF-HYARGMPZSA-N 431.513 6.645 10 50 IKCA COc1cccc(CNc2sc3c(c2C(=O)Nc2cc(OC)ccc2OC)CCC3)c1 920835 SAIHDSIMWPZOMU-UHFFFAOYSA-N 438.549 5.127 10 50 IKCA CCN1C(=O)/C(=C/c2cc(Cl)cc(Cl)c2OCc2ccc(F)cc2)SC1=S 2978249 BZCHGDPSKWPOQI-PXNMLYILSA-N 442.364 5.933 10 50 IKCA CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 16312096 RFZOWOCYQVLWLZ-XDHOZWIPSA-N 434.879 5.721 10 50 IKCA COc1cc(/C=C2/C(=O)N(c3cccc(Br)c3)N=C2C)ccc1OCC(C)C 100940515 IVENHGYNOZXUQS-VXLYETTFSA-N 443.341 5.299 10 50 IKCA Cc1cccc(OCCCOc2ccc(Cl)cc2/C=C2/SC(=S)N(C)C2=O)c1 2843990 MRVYYNRBIWZAPG-CPNJWEJPSA-N 433.982 5.327 10 50 IKCA Cc1c(Cl)cccc1-c1ccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)o1 8443063 SPJLRXDYJBLIMX-UHFFFAOYSA-N 441.870 5.936 10 50 IKCA CCN(CC)Cc1c(O)ccc2c(=O)c(-c3ccccc3Cl)c(C(F)(F)F)oc12 1747702 DASVCTYXBDDNAZ-UHFFFAOYSA-N 425.834 5.680 10 50 IKCA biogenic O=C(COC(=O)c1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)c1ccccc1 13809999 BTMUODHMQOBROV-UHFFFAOYSA-N 442.474 6.129 10 50 IKCA COc1cc([C@H](Nc2cc(C)ccn2)c2ccc3ccc(C)nc3c2O)cc(Cl)c1OC 18204295 BITXZZNWWHVZPE-QFIPXVFZSA-N 449.938 5.824 10 50 IKCA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C)C2=O)cc1 33351770 WINKJZZNRYCLPV-XSFVSMFZSA-N 435.574 5.159 10 50 IKCA CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2ccccc21 4523077 DZNJMLVCIZGWSC-UHFFFAOYSA-N 442.559 5.947 10 50 IKCA CCc1ccc(OCCOc2ccc(/C=C3\SC(=S)N(CC)C3=O)cc2Cl)cc1 32670930 KBEMXFYPIZACOT-ZHZULCJRSA-N 448.009 5.581 10 50 IKCA O=C(C(=O)c1ccc2c(c1)[nH]c1cc(C(=O)C(=O)c3ccccc3)ccc12)c1ccccc1 2896382 ZXYUJSNGFZEIRO-UHFFFAOYSA-N 431.447 5.452 10 50 IKCA CCOc1cc(CNc2ccc(O)cc2)cc(Br)c1OCc1ccccc1F 2160146 SFFOHAQCMQMWJH-UHFFFAOYSA-N 446.316 5.884 10 50 IKCA CCN1C(=O)/C(=C\c2cc(Cl)c(OCc3cccc(C)c3)c(OC)c2)SC1=S 6470417 ZFXCESJUYKDCTJ-WOJGMQOQSA-N 433.982 5.457 10 50 IKCA CC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N3C[C@H]1CC=C[C@H]21 8425519 XMOGORDPIWNJPL-KRKXHZOKSA-N 446.388 6.546 10 50 IKCA CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1OCc1ccccc1)N2 4757794 BLUIHVLQEBVNNN-VHFRWLAGSA-N 425.528 6.269 10 50 IKCA CN(C)c1ccc(/C=C2\SC(=N)N(c3ccc(Cl)cc3Cl)C2=O)cc1[N+](=O)[O-] 4083396 LPNQFQYLJUIJDJ-UZAWYRGQSA-N 437.308 5.023 10 50 IKCA CCCCCN1C(=O)/C(=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)c2ccccc21 1808306 UQBNYVWWOHEANC-VXPUYCOJSA-N 438.574 5.008 10 50 IKCA COc1ccc(C(=O)c2coc3ccc(O)c(CN(C)Cc4ccccc4)c23)cc1OC 218035400 WFFBAQJTUZWJPU-UHFFFAOYSA-N 431.488 5.019 10 50 IKCA biogenic O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1cccc(Cl)c1 1180735 DKWYNTZCMPORAI-YBEGLDIGSA-N 437.373 5.223 10 50 IKCA Cc1cc(C)cc(OCCCOc2ccc(Cl)cc2/C=C2/SC(=S)NC2=O)c1 2878657 WVLCRZMFBBZFEY-XDHOZWIPSA-N 433.982 5.294 10 50 IKCA Cc1ccccc1[C@@H]1C(/C=C2\C(=O)NC(=O)N=C2O)=C(c2ccccc2)Oc2ccccc21 17017149 MAYYSCSVTBKIDJ-QHCPKHFHSA-N 436.467 5.063 10 50 IKCA CC1=NN(c2ccccc2)C(=O)/C1=C(/C=C/c1ccc(Br)cc1)c1ccccc1 100544251 MBAVTHSKXNBNIU-DNOXEFQFSA-N 443.344 6.339 10 50 IKCA CCN1C(=O)/C(=C\c2cc(Br)ccc2OCc2cccc(C)c2)SC1=S 22242039 CCQYNTPBTUBJAZ-WOJGMQOQSA-N 448.407 5.558 10 50 IKCA CCCCOP(=O)(OCCCC)[C@H](Nc1ccc(C(=O)O)cc1)c1ccccc1O 3878672 ZQUZYLDEHVQWQB-NRFANRHFSA-N 435.457 6.028 10 50 IKCA COc1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc(C(=O)O)c4)o3)SC2=S)cc1 6645261 QYPQWTWKHXMJRR-XDHOZWIPSA-N 437.498 5.059 10 50 IKCA COc1ccc(OC)c(NC(=O)c2c(NCc3ccc(C)o3)sc3c2CC[C@H](C)C3)c1 920908 PYMNHHOLIWZYKE-AWEZNQCLSA-N 440.565 5.656 10 50 IKCA O=C1/C(=C\c2ccc(O)c([N+](=O)[O-])c2)SC(=S)N1c1ccc(Cl)c(Cl)c1 15011905 KGEIGANHXODANB-MKMNVTDBSA-N 427.290 5.013 10 50 IKCA O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(Sc2ccc(Cl)cc2)cc1 1128726 MVDAJMCVDFLUCS-XSFVSMFZSA-N 434.904 5.158 10 50 IKCA COCCCN1C(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S 9327342 XWFNSAWEHPPCQC-MHWRWJLKSA-N 428.362 5.491 10 50 IKCA Cc1cc(OCCOc2ccc(Cl)cc2/C=C2\SC(=S)NC2=O)ccc1Cl 15800523 IYVQNMACOBTVQJ-YVLHZVERSA-N 440.373 5.248 10 50 IKCA O=C1/C(=C/c2cccc(Oc3ccccc3)c2)SC(=S)N1Cc1ccc2c(c1)OCO2 1160540 WVIAGPMXYLDIRH-XKZIYDEJSA-N 447.537 5.609 10 50 IKCA Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)C(=O)N(C)C2=S)cc1 1152198 DOCAMSRXULBVJK-CPNJWEJPSA-N 436.920 5.082 10 50 IKCA CCC1=NN2C(=N)/C(=C\c3c(C)n(Cc4ccccc4F)c4ccccc34)C(=O)N=C2S1 15800470 KVYYUDOVPCLBNU-OEEDQDNFSA-N 445.523 5.166 10 50 IKCA O=C1/C(=C/c2cccc(Br)c2)C(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1 252510702 ZOPWXUBEVNWZIC-XSFVSMFZSA-N 448.276 5.192 10 50 IKCA Cc1cccc(NC(=O)CCN2C(=O)/C(=C/c3ccccc3Cl)SC2=S)c1C 1183059 WDLCZFYPFCEWMY-PDGQHHTCSA-N 430.982 5.187 10 50 IKCA C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S 9186615 BDGVJRKAMQMRAU-ZXOFLVKFSA-N 436.514 5.817 10 50 IKCA N=C1/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N=C2SC=C(c3ccccc3)N12 16115988 UYBFCCKACDPGLH-IFSHFEHQSA-N 442.456 5.159 10 50 IKCA CC1=CC(C)(C)N(Cc2ccccc2)c2ccc(/C=C3\N=C(c4ccccc4)OC3=O)cc21 253495502 GUOBDRYNORJHSH-UQQQWYQISA-N 434.539 6.233 10 50 IKCA Cc1ccc(N2CCN(C(=S)c3ccc(-c4ccc(Cl)c(Cl)c4)o3)CC2)cc1 1153555 DJIUIBDHJBZNRX-UHFFFAOYSA-N 431.388 6.060 10 50 IKCA Cc1ccccc1COc1cccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)c1 2847778 UAEATRHZSOKKBH-HZHRSRAPSA-N 431.582 5.975 10 50 IKCA CN(c1ccccc1)c1ccc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 2988658 OOMMLSKFMUEMDU-KGENOOAVSA-N 447.541 5.769 10 50 IKCA O=C1/C(=C/c2ccc(OCc3ccccc3)cc2)SC(=S)N1c1ccc(Cl)cc1 2991883 ZMMVJIKNSWENAB-STZFKDTASA-N 437.973 6.325 10 50 IKCA CC(C)C1=NN2C(=N)/C(=C/c3ccc(Sc4ccc(Cl)cc4)o3)C(=O)N=C2S1 12382042 WMZYIUOYIFEMRU-AJUKGGFZSA-N 430.942 5.359 10 50 IKCA COc1cc(/C=C2\SC(=S)NC2=O)ccc1OCc1c(Cl)cccc1Cl 2776517 SAHHRWZSOAHXQW-PXNMLYILSA-N 426.346 5.070 10 50 IKCA CCc1ccc(N2N=C(C)/C(=C/c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)C2=O)cc1 15659904 AIKPALSPWTZFHN-BKUYFWCQSA-N 431.448 5.232 10 50 IKCA COc1ccc(C(=O)N[C@@H](c2ccc(OC)c(OC)c2)c2c(O)ccc3ccccc23)cc1 2978562 GBOPJVHLQFLIBP-SANMLTNESA-N 443.499 5.091 10 50 IKCA CC(C)(C)c1ccc(C2=C/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C(=O)O2)cc1 2909165 PRJDFZSNMWZWRH-VBKFSLOCSA-N 449.890 6.787 10 50 IKCA O=C(COC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@H]1CN3C[C@H]1CC=C[C@@H]21)c1ccc(Cl)cc1 101406124 WKHHQLYYQNVCOK-GMQQQROESA-N 445.946 5.533 10 50 IKCA CCOc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Cl)c1OCc1ccccc1F 1219225 ZKZJJZIWLWHBRH-LICLKQGHSA-N 437.945 5.288 10 50 IKCA O=C1/C(=C/c2ccc(Br)cc2)C(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1 8398836 SMQNSIZHFWMJTC-XSFVSMFZSA-N 448.276 5.192 10 50 IKCA CCN1C(=O)/C(=C/c2cn(CCOc3cc(C)ccc3C)c3ccccc23)SC1=S 1168761 RVZHAQKZIFZTFN-HMAPJEAMSA-N 436.602 5.558 10 50 IKCA O=C1/C(=C/NC2CCCCCCC2)C(c2ccccc2)=NN1c1nc2ccccc2s1 100614548 BWCLRTLMALDAPB-LVZFUZTISA-N 430.577 5.634 10 50 IKCA CCCC[C@@H](CC)CN1C(=O)/C(=C2/C(=O)N(CCCC)c3ccccc32)SC1=S 1798127 FPIKCQRYNPQHBA-DVSFIDLUSA-N 430.639 5.621 10 50 IKCA CCCCSc1c(C(=O)Nc2cccc(F)c2)ccc2c1C(=O)c1ccccc1C2=O 8869348 RPDMUZQGXDGGDQ-UHFFFAOYSA-N 433.504 5.746 10 50 IKCA CC(=O)Oc1ccc([C@@H]2Nc3c(C(=O)c4ccccc4)cc(Cl)cc3[C@@H]3C=CC[C@H]32)cc1 12380004 SZTXVDPMMIVKNV-RQTOMXEWSA-N 443.930 6.323 10 50 IKCA Cc1ccc(C)c(OCCOc2ccc(/C=C3\SC(=S)N(C)C3=O)cc2Cl)c1 16247156 KONIEGUHYGDEPD-UNOMPAQXSA-N 433.982 5.246 10 50 IKCA CCN1C(=O)/C(=C\c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)SC1=S 8733368 XIGIDHMVXJDZBB-MHWRWJLKSA-N 436.967 5.621 10 50 IKCA Oc1ccc(Br)cc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc(F)cc3)=NN12 25572788 IEFJFGHRKIGBDM-KNQAVFIVSA-N 439.284 5.536 10 50 IKCA O=S(=O)(Nc1ccccc1F)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2 1421031 HEQWCUKWRYJVJE-KHCICDEESA-N 438.499 5.592 10 50 IKCA CCOc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCc1cccc2ccccc12 2966845 MFFNJJHYZLMCBB-HYARGMPZSA-N 435.570 5.649 10 50 IKCA CCN1C(=O)/C(=C/c2ccccc2OCCOc2ccc(Cl)c(C)c2)SC1=S 2977245 JLLUPBJSXHWDLQ-UYRXBGFRSA-N 433.982 5.327 10 50 IKCA O=C(c1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@H]21)N1CCOCC1 10007337 MZXBRFVCLOJESL-QYWGDWMGSA-N 429.347 5.292 10 50 IKCA COc1ccc([C@@H](NC(=O)c2cccc(OC)c2)c2cc(Cl)c3cccnc3c2O)cc1 6405683 MZGLFQDAHATKPL-JOCHJYFZSA-N 448.906 5.130 10 50 IKCA Cc1ccccc1/N=N/c1ccc(NC(=O)COc2ccc(Cl)cc2Cl)c(C)c1 16790480 YCXWPGYLHSUOPX-CYYJNZCTSA-N 428.319 7.043 10 50 IKCA Cc1ccc([C@H]2C(/C=C3/C(=O)NC(=O)N=C3O)=C(c3cccs3)Oc3ccccc32)cc1 17042619 IGHCIGZYCVCEAX-OAQYLSRUSA-N 442.496 5.125 10 50 IKCA Cc1ccc(C(C)C)c(OCCCOc2ccc(/C=C3/SC(=S)NC3=O)cc2)c1 22257293 AIYJVVFTVVBUAN-KGENOOAVSA-N 427.591 5.455 10 50 IKCA O=C1/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)C(O)=NC(=S)N1Cc1ccco1 22478551 FOLVLNLIVALPNG-DHDCSXOGSA-N 447.299 5.514 10 50 IKCA COc1ccc(CN2C(=O)/C(=C/c3ccc(-c4ccccc4Cl)o3)SC2=S)cc1 1164989 ZOOGWOIBIPUWLC-NDENLUEZSA-N 441.961 6.010 10 50 IKCA C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 8430812 XIKQCLVQTJCGMT-GFCCVEGCSA-N 440.282 5.175 10 50 IKCA CCn1nc(C)c(CN2CC[C@@H](c3ccc(F)c(F)c3)Sc3cc(OC)ccc32)c1C 12243074 SWZDKYTWSONFQH-QHCPKHFHSA-N 443.563 6.050 10 50 IKCA Cc1ccc(Nc2cc(NCc3ccccc3)c3noc4c3c2C(=O)c2ccccc2-4)cc1 2023342 JVEIXXBFGJGOMD-UHFFFAOYSA-N 431.495 6.703 10 50 IKCA Oc1c([C@@H](Nc2cccnc2)c2ccccc2OCc2ccccc2)ccc2cccnc12 15017082 CNRARIIFXOGWOA-MHZLTWQESA-N 433.511 6.116 10 50 IKCA CN(c1ccccc1)c1ccc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 9310398 LCQHWGGRGPRITR-RCCKNPSSSA-N 447.541 5.769 10 50 IKCA COc1ccc(/C=C2\SC(=S)N(CNc3ccc(Cl)c(Cl)c3)C2=O)cc1 334160965 PTTJNNZHONRYRV-PXNMLYILSA-N 425.362 5.273 10 50 IKCA CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/c1ccc(-c2ccc(OC(F)(F)F)cc2)o1 12462209 UQTNRKFQYDXLGQ-FYJGNVAPSA-N 440.421 6.268 10 50 IKCA Cc1ccccc1-c1cnc(-c2ccncc2)nc1[C@@H]1CCCN(Cc2ccccc2O)C1 20997379 SWVVBFNORMPBJE-HSZRJFAPSA-N 436.559 5.599 10 50 IKCA Oc1ccc(-c2nc3ccccc3s2)cc1CN1CCN(c2cccc(Cl)c2)CC1 64120787 LQYDBAHRYLSRDL-UHFFFAOYSA-N 435.980 5.645 10 50 IKCA CCOc1cc(C=C2C(=O)OC3(CCCCC3)OC2=O)ccc1OCc1ccc(C)cc1 223207918 YQBHUEMNMUJGHN-UHFFFAOYSA-N 436.504 5.117 10 50 IKCA Cc1ccc(C(C)C)c(OCCCOc2ccccc2/C=C2/SC(=S)NC2=O)c1 2874214 BLVVBUPCBFFGCT-KGENOOAVSA-N 427.591 5.455 10 50 IKCA CC(C)(C)c1ccc(Oc2cc(N3CCCCC3)cc3c2C(=O)c2ccccc2C3=O)cc1 12381739 YEVOKOZRXYGYDR-UHFFFAOYSA-N 439.555 6.542 10 50 IKCA COC(=O)c1sc2nc(C)c(C(=O)Nc3ccccc3C)c(-c3cccc(F)c3)c2c1N 1123198 QQQMJVBLIKCYFV-UHFFFAOYSA-N 449.507 5.340 10 50 IKCA CCc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3cccc(F)c3)C2=O)cc1 1186878 SQMMUSGVZZUEGY-CPNJWEJPSA-N 428.554 5.008 10 50 IKCA Nc1ccc(Oc2cccc(S(=O)(=O)c3cccc(Oc4ccc(N)cc4)c3)c2)cc1 23283600 VZZOONBAZHZSEB-UHFFFAOYSA-N 432.501 5.268 10 50 IKCA O=C(Oc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1)c1ccco1 1136100 IYYKOELMEQXZGA-PDGQHHTCSA-N 441.917 5.558 10 50 IKCA CC(C)CN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccs2)SC1=S 12561386 NYFJDBJOFOZYCF-WOJGMQOQSA-N 425.604 5.458 10 50 IKCA Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cc(Br)ccc2O)cc1 8426562 CBEDKEKWWBISMC-NFBKMPQASA-N 435.321 5.705 10 50 IKCA O=C1/C(=C\c2ccc(F)c(Br)c2)SC(=S)N1c1cccc(Cl)c1 9296639 ZXWWKZCCZDGDLL-VGOFMYFVSA-N 428.735 5.647 10 50 IKCA CCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(C)c(F)c2)SC1=S 16729827 SISSPFMWCRUHQM-MOSHPQCFSA-N 437.565 5.598 10 50 IKCA COc1cccc(CN2CCC[C@@H](c3n[nH]cc3-c3cccc(C(F)(F)F)c3)C2)c1O 42942878 BYVIUVFLQOEUMC-MRXNPFEDSA-N 431.458 5.189 10 50 IKCA O=S(=O)(O)c1ccc(/N=N/c2ccc(NCCN3CCCCC3)c3ccccc23)cc1 96026708 SYFHGSRMYFJEGM-OCEACIFDSA-N 438.553 5.400 10 50 IKCA CC(=O)Nc1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N3C[C@H]1CC=C[C@H]21 8456400 GCMLMVCXNLXJOT-KRKXHZOKSA-N 427.504 5.448 10 50 IKCA O=C(O)c1cccc(-c2ccc(/C=C3\SC(=S)N(c4ccc(F)cc4)C3=O)o2)c1 16192857 QSUMEOAMVFQGOZ-WQRHYEAKSA-N 425.462 5.190 10 50 IKCA CCc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ccc4ccccc4c3)C2=O)cc1 22170934 HGPXXCMTBJIGJD-PXLXIMEGSA-N 446.597 5.632 10 50 IKCA O=C(O)c1cccc(-c2ccc(/C=C3\SC(=S)N(c4cccc(F)c4)C3=O)o2)c1 16386324 CHKYZUXRTNIWPO-WQRHYEAKSA-N 425.462 5.190 10 50 IKCA COc1ncc(/N=N/c2ccc(NCCN(C(C)C)C(C)C)c3ccccc23)c(OC)n1 71767051 SGAXXLLWWDNDJF-ZQHSETAFSA-N 436.560 5.593 10 50 IKCA O=C1OC(c2ccccc2)=C/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 22135378 JFSYPSPMHWJWSS-UVTDQMKNSA-N 438.233 5.599 10 50 IKCA O=C1/C(=C/c2ccc(Sc3ccccc3)o2)SC(=S)N1c1cccc(Cl)c1 3003867 GWDJHCQYQZRGPM-ATVHPVEESA-N 429.975 6.490 10 50 IKCA Cc1ccccc1-c1cnc(-c2ccncc2)nc1[C@H]1CCCN(Cc2ccccc2O)C1 20997381 SWVVBFNORMPBJE-QHCPKHFHSA-N 436.559 5.599 10 50 IKCA CCc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1 8757304 SETCPTBRVZSRSK-ITYLOYPMSA-N 432.527 5.908 10 50 IKCA COCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cc(C)ccc2C)SC1=S 2279136 ZLGKFHWQJRABTK-STZFKDTASA-N 449.601 5.004 10 50 IKCA CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCc1ccc(O)c(O)c1 4102443 MVVPIAAVGAWJNQ-DOFZRALJSA-N 439.640 6.902 10 50 IKCA in-vitro COc1ccc(N2CCN(c3c(-c4ccccc4)c4cc(Cl)ccc4[nH]c3=O)CC2)cc1 18106330 FMBWVDICPKTPID-UHFFFAOYSA-N 445.950 5.184 10 50 IKCA Cc1cc(C(=O)N[C@H](Cc2cc3ccccc3o2)C(=O)O)c(C)n1-c1cccc(C(C)C)c1 2325869211 CHNHWBHRLZFQOR-XMMPIXPASA-N 444.531 5.389 10 50 IKCA Cn1nc(-c2ccccc2)c2c(Br)cc(Br)c-2c1-c1ccccc1 3147222 MWQJAKVDHXRJGH-UHFFFAOYSA-N 442.154 6.384 10 50 IKCA biogenic CCOc1ccc(S(=O)(=O)Nc2ccc(O)c(-c3c(O)ccc4ccccc34)c2)cc1 2954881 PTPMKHFVUAOEDH-UHFFFAOYSA-N 435.501 5.118 10 50 IKCA COc1cc(C=C2C(=O)OC(C)(C(C)(C)C)OC2=O)ccc1OCc1ccccc1Cl 2971087 RUIMAFKGSUXQON-UHFFFAOYSA-N 444.911 5.173 10 50 IKCA O=C1OC(c2ccc(Cl)cc2)=C/C1=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1 22135268 PKUNPSFPUFPCRD-ZROIWOOFSA-N 427.239 5.933 10 50 IKCA COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C=C(c3ccc(C(C)(C)C)cc3)OC2=O)o1 22135419 DXMYYVNAHNNISA-LGMDPLHJSA-N 445.471 6.142 10 50 IKCA O=C(C(=O)c1ccc2c(c1)C(=O)c1cc(C(=O)C(=O)c3ccccc3)ccc1-2)c1ccccc1 9035661 BXAZQKCGTLQSNQ-UHFFFAOYSA-N 444.442 5.029 10 50 IKCA CCCCCOc1ccc(C2(CC(=O)Nc3ccccc3)C(=O)c3ccccc3C2=O)cc1 2810214 FZIKXDPUZKXSBP-UHFFFAOYSA-N 441.527 5.601 10 50 IKCA O=C(Nc1ccc(/N=N/c2ccccc2)cc1)c1sc2cccc(Cl)c2c1Cl 13590996 FOXNSIGKDJSUNS-OCEACIFDSA-N 426.328 7.876 10 50 IKCA O=[N+]([O-])c1ccccc1-c1ccc(/N=[N+](/O)c2ccc(-c3ccccc3[N+](=O)[O-])cc2)cc1 253406067 UDLUQTWRGDARNJ-UHFFFAOYSA-N 441.423 6.654 10 50 IKCA Cc1cccc(COc2ccc(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)cc2)c1 2840120 FBDHKVILQKJDDX-HZHRSRAPSA-N 431.582 5.975 10 50 IKCA O=C1c2ccccc2C(=O)c2c(NC(=O)[C@H]3CC3(c3ccccc3)c3ccccc3)cccc21 8955658 XGCPTORZWVSKKN-XMMPIXPASA-N 443.502 5.407 10 50 IKCA CCOc1ccc(NC(=O)CCCN2C(=O)/C(=C\c3ccc(C)cc3)SC2=S)cc1 9444593 DXRJWKRVWYHUDW-HMMYKYKNSA-N 440.590 5.014 10 50 IKCA CCOC(=O)[C@@H](Oc1ccc2c(-c3ccc(OC)cc3)cc(=O)oc2c1C)c1ccccc1 2812173 ZSAHHSWTCGDXCC-SANMLTNESA-N 444.483 5.460 10 50 IKCA aggregator O=C1c2cc3ccccc3cc2C(=O)[C@@H]2C[C@@H]3C(=O)c4cc5ccccc5cc4C(=O)[C@@H]3C[C@H]12 43214914 RSFWPFAWCIUFIO-FATVKVNYSA-N 444.486 5.710 10 50 IKCA O=C1C(=CNc2ccc3ccccc3c2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 1123187 GKWDHSOJEMHFND-UHFFFAOYSA-N 449.535 5.501 10 50 IKCA CCOC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(C(C)(C)C)cc3)SC2=S)cc1 1777696 QECBFCQKWSMWGU-RGEXLXHISA-N 425.575 5.567 10 50 IKCA CCCCN1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)SC1=S 2668107 VYEOYVUINGJKFH-MOSHPQCFSA-N 448.009 5.929 10 50 IKCA CCOC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N3C[C@@H]1CC=C[C@H]21 239038925 FDLIDSSHLDAKTN-VSALZBCGSA-N 431.963 6.411 10 50 IKCA CCN1C(=O)/C(=C/c2c(C)n(Cc3ccccc3Cl)c3ccccc23)SC1=S 2977563 FXSJOFUVHJHZGU-NDENLUEZSA-N 426.994 5.873 10 50 IKCA O=C1/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)SC(=S)N1CCc1ccccc1 8435054 JXCZVFRJRLIWLV-XSFVSMFZSA-N 425.962 6.044 10 50 IKCA CCOc1cccc(CN2CCC[C@H](c3[nH]ncc3-c3cccc(C(F)(F)F)c3)C2)c1O 15070451 QURBKXHDSIQEOM-KRWDZBQOSA-N 445.485 5.579 10 50 IKCA Cc1ccccc1C1=NN2C(=N)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)C(=O)N=C2S1 15855784 FNDLHBSDHJIFDE-QDLOHUEYSA-N 446.919 5.576 10 50 IKCA CCCOc1ccc2ccccc2c1/C=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)N=C1O 16156481 TYGVHYCUCBOMAL-XSFVSMFZSA-N 445.431 5.044 10 50 IKCA Cc1ccc(/N=N\c2c(O)ccc(N=Nc3ccc(S(=O)(=O)O)cc3)c2O)c(C)c1 257347745 SQOXGXCYIDDLGW-ZGYMDQIXSA-N 426.454 5.792 10 50 IKCA O=C(N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12)c1ccccc1Br 1774438 OMMKZQDOMZFSRC-QHCPKHFHSA-N 432.317 5.827 10 50 IKCA COc1cccc(C(=O)N[C@H](c2ccc(OC)c(OC)c2)c2c(O)ccc3ccccc23)c1 15821605 CXKKZFHOGHDFKI-AREMUKBSSA-N 443.499 5.091 10 50 IKCA CN1C(=O)/C(=C\c2ccc(OCCOc3ccc(C(C)(C)C)cc3)cc2)SC1=S 2966749 KMPOQHJUQBXDNI-HMMYKYKNSA-N 427.591 5.273 10 50 IKCA CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OC(=O)c1cccs1 8672233 OTGWKWLVMHNKNV-XMHGGMMESA-N 432.501 5.172 10 50 IKCA O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2)N1CCCc2ccccc21 16192663 YMDXXZNDQQUJMI-NOTUOJBMSA-N 440.974 6.760 10 50 IKCA Cc1oc2ccc(O)c(CN3C[C@@]4(C)C[C@H]3CC(C)(C)C4)c2c1C(=O)NCc1ccccc1 238923534 OMULAHCZLIAMNR-NGOKVRLYSA-N 446.591 5.777 10 50 IKCA CCc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1 17373724 VOCHNBPBPGXRHT-RCCKNPSSSA-N 438.618 5.486 10 50 IKCA O=C(Oc1ccc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc1)c1cccs1 1135976 FVVKSPKELXVPAR-WQRHYEAKSA-N 441.530 5.512 10 50 IKCA Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 8443077 KIGMHGZUFYHCRZ-UHFFFAOYSA-N 440.282 5.095 10 50 IKCA CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)cc(Cl)c1OCc1ccc(C)cc1 22241925 JVJIFMQKRHFPIH-XDHOZWIPSA-N 448.009 5.847 10 50 IKCA COc1ccc(OC)c(-c2ccc(O)c(CN3CCN(c4cccc(Cl)c4)CC3)c2)c1 55133825 QZPRZLPFGFRGKD-UHFFFAOYSA-N 438.955 5.052 10 50 IKCA COc1ccc(N2C(=O)/C(=C\c3cccc4c3-c3ccccc3C4=O)SC2=S)cc1 6645275 LANPHIWTSSVMSV-DEDYPNTBSA-N 429.522 5.312 10 50 IKCA COc1cc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3C=CC[C@H]32)cc(Br)c1OC 16448862 QHCYDFLRIGCOKI-LPMFXHHGSA-N 431.286 5.201 10 50 IKCA CCOC(=O)[C@H](Oc1ccc2c(-c3ccc(OC)cc3)cc(=O)oc2c1C)c1ccccc1 2812172 ZSAHHSWTCGDXCC-AREMUKBSSA-N 444.483 5.460 10 50 IKCA aggregator COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C/c2ccc(SC)cc2)cc1 106098641 SXQDUHQJOQZGHP-PXLXIMEGSA-N 445.500 5.160 10 50 IKCA COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2 227203853 DDCRWQPCZQRMBM-UMEGOILYSA-N 443.474 5.658 10 50 IKCA CCOC(=O)c1c(N/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2C)sc2c1CCCC2 100500786 BWLNDJAKXONLHO-ATVHPVEESA-N 443.956 5.176 10 50 IKCA CCN1C(=O)/C(=C/c2ccc(OCCOc3ccc(Cl)c(C)c3)cc2)SC1=S 2977527 MZGGAOKAHDWVGO-UYRXBGFRSA-N 433.982 5.327 10 50 IKCA CCN1C(=O)/C(=C\c2cc(Cl)ccc2OCCOc2cccc(OC)c2)SC1=S 6470473 QDUJQBJJBLGUPX-XDHOZWIPSA-N 449.981 5.028 10 50 IKCA CCOc1ccccc1N1CCN(Cc2cc(-c3nc4ccccc4s3)ccc2O)CC1 15071165 MVHQPVXMTVWLQR-UHFFFAOYSA-N 445.588 5.390 10 50 IKCA CC(=O)Nc1cc2c3c(c1)[C@@H]1C=CC[C@H]1CN3[C@@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21 247917007 GCMLMVCXNLXJOT-PDLBJYQGSA-N 427.504 5.448 10 50 IKCA Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@H]2NC(=O)c1ccnc2ccccc12 2325873619 NHKHSLIMPXHECH-QHCPKHFHSA-N 449.476 6.160 10 50 IKCA COC(=O)[C@@H](Oc1ccc2c(-c3ccc(OC)cc3)cc(=O)oc2c1C)c1ccccc1 1129497 SEGTYIUMLOFUGS-VWLOTQADSA-N 430.456 5.070 10 50 IKCA COc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2CC(=O)Oc1ccccc1 2080851 XTAOFQIODJXCLI-UHFFFAOYSA-N 429.588 5.875 10 50 IKCA O=C1N=C(N2C=CC(=C(O)c3ccccc3)C=C2)/C(=C\N=NC(=O)c2cccnc2)S1 334157345 KCAUQVXILGURPS-ZBSNLJDVSA-N 429.461 5.093 10 50 IKCA Oc1c(Cl)cc(Cl)cc1[C@H]1Nc2ccccc2C(c2ccccc2)(c2ccccc2)O1 12376052 QORKFCUJENAXDK-VWLOTQADSA-N 448.349 7.132 10 50 IKCA CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C)C2=O)cc1 22358355 WOQQFSMYUKNPHA-FYJGNVAPSA-N 449.601 5.405 10 50 IKCA Cc1ccc(S(=O)(=O)Nc2cc(C)c(O)c(Sc3nc4ccccc4s3)c2)cc1 948871 JZWUGBARYBOIMD-UHFFFAOYSA-N 442.587 5.571 10 50 IKCA C=CC(=O)Nc1ccc2c(c1Oc1ccc(C(C)(C)C)cc1)C(=O)c1ccccc1C2=O 8694290 QLRGFKZJTZXYCF-UHFFFAOYSA-N 425.484 5.676 10 50 IKCA O=C1/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC(=S)N1c1ccc(Cl)cc1 1158705 MYPJYLBRODHDEE-WOJGMQOQSA-N 442.905 5.914 10 50 IKCA COc1cc(CNc2ccc(O)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 2160159 SCVSORPAGYTUES-UHFFFAOYSA-N 438.738 6.552 10 50 IKCA CCN(CC)c1ccc(CC2(CC(=O)c3ccccc3)C(=O)c3ccccc3C2=O)cc1 3880459 HAXLEDNXMLKGEP-UHFFFAOYSA-N 425.528 5.414 10 50 IKCA COc1ccc(C(=O)N[C@H](c2ccc(C)cc2)c2cc(Cl)c3cccnc3c2O)cc1 15821577 MDWNHEVMSYQJKP-JOCHJYFZSA-N 432.907 5.430 10 50 IKCA biogenic CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1nnc(-c2ccc(Cl)cc2Cl)s1 100502016 AOPWQBCSUXLRKN-GDNBJRDFSA-N 430.320 5.230 10 50 IKCA CC[C@H](C)c1ccc(OCCCOc2cccc(/C=C3/SC(=S)N(C)C3=O)c2)cc1 2878274 UIXYOVBBJJPCGE-JMMZKRSASA-N 441.618 5.879 10 50 IKCA O=C(O)CCCN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S 2934416 GBZWJTSHYITMOY-DHDCSXOGSA-N 442.345 5.319 10 50 IKCA Cc1ccccc1C1=NN2C(=N)/C(=C/c3ccc(-c4ccccc4Cl)o3)C(=O)N=C2S1 2828075 NOLQGUIORDZDLQ-NWSLSDTJSA-N 446.919 5.576 10 50 IKCA COC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)o2)cc1 1209439 XTZDNEHMJXPPIL-DEDYPNTBSA-N 435.526 5.135 10 50 IKCA O=C1/C(=C\c2cccc(Br)c2)SC(=S)N1c1cccc(C(F)(F)F)c1 1781219 NBGMLGHWIHALBU-RIYZIHGNSA-N 444.297 5.874 10 50 IKCA Cc1cccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(F)cc4)cc3)SC2=S)c1 3003089 GWWFNUNHHHZZGV-HMAPJEAMSA-N 435.545 6.119 10 50 IKCA O=C(O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N3C[C@H]1CC=C[C@H]21 239432933 WXZHYNIYTFJYOW-YBVJTHMASA-N 448.360 6.042 10 50 IKCA COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(F)cc1)N2 1128075 DDCRWQPCZQRMBM-OHUGHZGNSA-N 443.474 5.658 10 50 IKCA CCOC(=O)[C@@H](Oc1ccc2c(-c3ccc(OC)cc3)cc(=O)oc2c1)c1ccccc1 8763285 OQDAPAQAWBCPJQ-VWLOTQADSA-N 430.456 5.152 10 50 IKCA biogenic CCCC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(OC)c(OC)cc1Br 15229699 WJUHLKNUFWFHQM-WJDWOHSUSA-N 429.314 5.053 10 50 IKCA Cc1ccc(C(C)C)c(OCCOc2cccc(/C=C3/SC(=S)N(C)C3=O)c2)c1 2962190 PWSGZGKWDLRJTL-KGENOOAVSA-N 427.591 5.407 10 50 IKCA N=C1/C(=C\c2c[nH]c3ccccc23)C(=O)N=C2SC(C34CC5CC(CC(C5)C3)C4)=NN12 16265379 VULIADUIAFDMAF-PTNPWHBRSA-N 429.549 5.003 10 50 IKCA Cc1cc(NC(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2ccc(F)cc2)N3)ccc1[N+](=O)[O-] 257370772 NAULBUWJGXCSOS-DNRQZRRGSA-N 443.478 6.121 10 50 IKCA COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1)N2 8927177 QMJYALQHUQUUHD-FHAGJXEFSA-N 425.484 5.519 10 50 IKCA Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccc(F)c(Cl)c3)C2=O)cc1 1182979 LGHZZTWJNIRMSS-WOJGMQOQSA-N 448.972 5.408 10 50 IKCA Cc1c(Cl)cccc1NC1=NC(=O)/C(=C/c2ccc(-c3ccccc3C(=O)O)o2)S1 22135372 GLTGDMUHVGRXHM-ODLFYWEKSA-N 438.892 5.689 10 50 IKCA O=C1c2cc3ccccc3cc2C(=O)[C@H]2C[C@H]3C(=O)c4cc5ccccc5cc4C(=O)[C@H]3C[C@H]12 101094110 RSFWPFAWCIUFIO-ASDGIDEWSA-N 444.486 5.710 10 50 IKCA COc1cccc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@@H]32)c1OC 871799 MEFSZRVSQIJVBG-BIENJYKASA-N 433.289 5.135 10 50 IKCA COc1ccc(-n2c(C)cc(C(=O)Nc3cccc(N(C)C(=O)OC(C)(C)C)c3)c2C)cc1 1875316856 JNNBOWICMJUUTK-UHFFFAOYSA-N 449.551 5.726 10 50 IKCA COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(F)cc1)N2 9076608 DDCRWQPCZQRMBM-FHAGJXEFSA-N 443.474 5.658 10 50 IKCA CC(C)C1=NN2C(=N)/C(=C/c3cc(Cl)ccc3OCc3ccccc3)C(=O)N=C2S1 8453018 JTNAMIRFSUPAIJ-GLGSTRKCSA-N 438.940 5.194 10 50 IKCA Cc1ccc(OCCCOc2ccc(Cl)cc2/C=C2/SC(=S)N(C)C2=O)cc1C 2878586 JRXXSJMAKKUTDH-DEDYPNTBSA-N 448.009 5.636 10 50 IKCA O=C(N[C@@H](Nc1ccc(/N=N/c2ccccc2)cc1)C(=O)c1ccccc1)c1cccs1 100534429 RUGXSZXNFBPZKD-RVGLIBJPSA-N 440.528 6.214 10 50 IKCA CC[C@@H](C)c1ccc(OCCCOc2ccc(/C=C3/SC(=S)NC3=O)cc2)cc1 2874072 PMURTXAYJZCKRX-GXPOEHQZSA-N 427.591 5.537 10 50 IKCA CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(C(C)C)cc1 33399389 OSOXXRPXUJVZII-OVVQPSECSA-N 446.554 6.469 10 50 IKCA CCc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccc(C)cc3C)C2=O)cc1 22228651 GKFUBJUHZQOATQ-RCCKNPSSSA-N 438.618 5.486 10 50 IKCA CCCCC1=NN2C(=N)/C(=C/c3ccc(OCc4ccccc4)c(OC)c3)C(=O)N=C2S1 15837957 TXZKUAUQKGWYPJ-OQYABBNDSA-N 448.548 5.084 10 50 IKCA Cc1ccc(N=Nc2c(O)ccc(N=Nc3ccc(S(=O)(=O)O)cc3)c2O)c(C)c1 257358293 SQOXGXCYIDDLGW-UHFFFAOYSA-N 426.454 5.792 10 50 IKCA CCOc1cc(/C=C2/SC(=S)NC2=O)ccc1OCCCOc1ccccc1Cl 2878644 PTEPAWVDCMNHIL-CPNJWEJPSA-N 449.981 5.075 10 50 IKCA CCc1ccc(OCCCOc2cccc(/C=C3/SC(=S)N(CC)C3=O)c2)cc1 22257283 GMQUMSMMUDAHCJ-LTGZKZEYSA-N 427.591 5.318 10 50 IKCA CCN(CC)Cc1cc(CN[C@@H](C)c2cnn(-c3ccc(F)cc3F)c2C)ccc1OC 12480880 SWFPGDLVJWRTLK-KRWDZBQOSA-N 442.554 5.160 10 50 IKCA CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C)C2=O)cc1 13801416 NOYXKZHAHGYWGB-QNGOZBTKSA-N 449.601 5.549 10 50 IKCA CC(C)CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(S)=NC2=O)cc1 1822589 BPIQOSHXQWHSPF-STZFKDTASA-N 449.601 5.864 10 50 IKCA CCCCN(CCCC)c1ccc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)cc1 3994863 RADFYAVRXHDMCO-MNDPQUGUSA-N 434.627 5.159 10 50 IKCA Oc1ccc(Cl)cc1[C@H]1Oc2c(Cl)cc(Cl)cc2[C@H]2CC(c3ccccc3)=NN21 25558733 VGXKXBKMGRGZBW-DENIHFKCSA-N 445.733 6.595 10 50 IKCA O=C1/C(=C\c2ccc(Cl)cc2Cl)SC(=S)N1C(=O)c1ccc(Cl)cc1 408822613 PJIOPMFAIULADR-VGOFMYFVSA-N 428.749 5.688 10 50 IKCA Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccc(Cl)cc3)C2=O)cc1 1180912 XFWAHYZWPLXVJP-QGOAFFKASA-N 430.982 5.269 10 50 IKCA O=C(N[C@H](c1ccccc1)c1c(O)ccc2ccccc12)c1ccc(Br)cc1 1782194 KQKZXJDBKZDKMY-HSZRJFAPSA-N 432.317 5.827 10 50 IKCA COc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)N=C2C)ccc1OCCc1ccccc1 101351702 LBDHLLPOQODNBF-XQNSMLJCSA-N 430.479 5.262 10 50 IKCA Cc1ccc(C2=NN3[C@H](c4cc(Br)ccc4O)Oc4ccccc4[C@H]3C2)cc1 239284797 CBEDKEKWWBISMC-OFNKIYASSA-N 435.321 5.705 10 50 IKCA Cc1ccc(N2C(=O)C(=Cc3ccc(Cl)cc3)C(=O)N(c3ccc(C)cc3)C2=O)cc1 1509910 MGOGBZCHBGUDHM-UHFFFAOYSA-N 430.891 5.540 10 50 IKCA O=C1/C(=C/c2ccccc2OCc2ccccc2F)SC(=S)N1Cc1cccnc1 15010841 JGZKMRQDGDKHLJ-MTJSOVHGSA-N 436.533 5.201 10 50 IKCA COc1cccc(OCCCOc2ccc(Cl)cc2/C=C2/SC(=S)N(C)C2=O)c1 15857131 DSDMBCWLZJXWSK-XDHOZWIPSA-N 449.981 5.028 10 50 IKCA COc1ccc(OCCCOc2ccc(Cl)cc2/C=C2/SC(=S)N(C)C2=O)cc1 15857320 VQTYZGYJOCRGIO-CPNJWEJPSA-N 449.981 5.028 10 50 IKCA COc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)ccc1OCc1ccccc1 2674182 NNISLMMBLACSTE-JCMHNJIXSA-N 439.602 5.808 10 50 IKCA Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)O)cc4)o3)SC2=S)c(C)c1 2919815 XXRJEEBUTHZRQI-NDENLUEZSA-N 435.526 5.667 10 50 IKCA CCCC1=NN2C(=N)/C(=C\c3cn(Cc4ccccc4C)c4ccccc34)C(=O)N=C2S1 8450628 MLNPKXOTFKYHIQ-FEGZGKEQSA-N 441.560 5.417 10 50 IKCA COc1ccc([C@H]2N=NC(C3C(=O)c4ccccc4C3=O)=C[C@@H]2c2ccccc2)cc1OC 103465891 AGZYMSLTCSDPPF-CJFMBICVSA-N 438.483 5.574 10 50 IKCA CN1C(=O)/C(=C/c2cccc(OCCOc3cc(Cl)ccc3Cl)c2)SC1=S 3004383 ILEYCGXAUHDMBS-YVLHZVERSA-N 440.373 5.282 10 50 IKCA O=C(c1cc2sc(N3CCCC3)nc2s1)N(Cc1ccco1)Cc1ccccc1O 225421897 VNHMLNXWRFOREX-UHFFFAOYSA-N 439.562 5.099 10 50 IKCA CCCCC1=NN2C(=N)/C(=C/c3cccc(OCc4ccc(F)cc4)c3)C(=O)N=C2S1 15837887 OJUMPCYDXXQICW-QGUUBAPPSA-N 436.512 5.214 10 50 IKCA Cc1cc(I)cc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21 8435036 TWHFOXCYUSMAFM-FRQCXROJSA-N 432.261 5.334 10 50 IKCA COc1ccc(CNc2sc3c(c2C(=O)Nc2ccc(OC)cc2OC)CCC3)cc1 798209 QILMLIYKOVBCCZ-UHFFFAOYSA-N 438.549 5.127 10 50 IKCA CCCc1ccc(C(=O)C[C@H](c2ccccc2)C2(Cl)C(=O)c3ccccc3C2=O)cc1 864599 OHFKFWICULLBAT-HSZRJFAPSA-N 430.931 6.053 10 50 IKCA COc1c(Cl)cc(Cl)cc1/C=C1\SC(=S)N(CCCc2ccccc2)C1=O 2815435 VVMMJZXLCOCPEX-BOPFTXTBSA-N 438.401 5.836 10 50 IKCA CC[C@@H](C)c1ccccc1OCCCOc1ccccc1/C=C1/SC(=S)NC1=O 2878435 MLZGSZHFKOVLGO-GXPOEHQZSA-N 427.591 5.537 10 50 IKCA O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccc(-c2cccc(Cl)c2)o1 15799303 YILGKPBHZGVSSN-UHFFFAOYSA-N 427.843 5.628 10 50 IKCA O=[N+]([O-])c1ccc([C@@H]2[C@@H]3CC=C[C@@H]3c3cc(Br)cc4c3N2C[C@H]2CC=C[C@@H]42)cc1 244866335 VUGPWWVPSRHYQI-BSTKLLGTSA-N 449.348 6.252 10 50 IKCA O=C(COc1ccccc1)N[C@H](/C=C/c1ccccc1)c1cc(Cl)c2cccnc2c1O 6457216 HPNHVAVMMGWFEQ-YAOQVBECSA-N 444.918 5.544 10 50 IKCA Cc1sc(NC(=O)c2ccc(C(=O)C(=O)c3ccccc3)cc2)nc1-c1ccccc1 1781780 HXONRGBJKNVQQJ-UHFFFAOYSA-N 426.497 5.436 10 50 IKCA COc1ccc(Cl)cc1/C=C1\SC(=S)N(c2ccc(Cl)cc2Cl)C1=O 16192791 FHBOTNYDWWBWLQ-CHHVJCJISA-N 430.765 6.061 10 50 IKCA C[C@@H](Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)C(=O)OCc1ccccc1Cl 1778908 STBUKZXZHVCMNE-MRXNPFEDSA-N 434.875 5.624 10 50 IKCA Cc1ccccc1[C@H]1C(/C=C2/C(=O)NC(=O)N=C2O)=C(c2ccccc2)Oc2ccccc21 17017151 MAYYSCSVTBKIDJ-HSZRJFAPSA-N 436.467 5.063 10 50 IKCA O=C1/C(=C\c2c3ccccc3cc3ccccc23)SC(=S)N1C(=O)c1ccccc1 109769598 WVKLEOLEKFKCPL-PXLXIMEGSA-N 425.534 6.035 10 50 IKCA CCOc1cc(/C=C2\SC(c3ccccc3)=NC2=O)cc(Br)c1OCC 671222 BLVGCWLNGUPMDH-ATVHPVEESA-N 432.339 5.308 10 50 IKCA CC[C@H](C)c1ccc(OCCOc2ccc(/C=C3/SC(=S)N(C)C3=O)cc2)cc1 2962052 DPUJFRJDYWASKS-WASCAKKMSA-N 427.591 5.489 10 50 IKCA O=C1/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)SC(=S)N1C[C@H]1CCCO1 13590970 NVNXJRIIIGQALF-LFMVTYOGSA-N 440.373 5.634 10 50 IKCA O=C(Oc1cccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1)c1ccc(F)cc1 2822003 BJDDDOZABURSFD-STZFKDTASA-N 449.528 5.446 10 50 IKCA O=C1/C(=C\c2cccc(Br)c2)SC(=S)N1C(=O)c1ccc(Cl)cc1 408822480 MTJFKMRQLUKYMK-NTEUORMPSA-N 438.755 5.144 10 50 IKCA O=C(O)CCc1ccc(-c2ccc(Br)cc2)n1-c1cccc(C(F)(F)F)c1 8783633 LVUDWSVFXDNMHF-UHFFFAOYSA-N 438.243 5.943 10 50 IKCA biogenic COc1cccc(O)c1CN1CCC[C@H](c2[nH]ncc2-c2cccc(C(F)(F)F)c2)C1 15004796 ZRRDMCXBCVKPQL-INIZCTEOSA-N 431.458 5.189 10 50 IKCA CN1C(=O)/C(=C\c2cccc(OCCCOc3ccc(C(C)(C)C)cc3)c2)SC1=S 2874183 ARVXCVDRIARFSM-LTGZKZEYSA-N 441.618 5.663 10 50 IKCA O=C(COc1ccccc1)N[C@@H](/C=C/c1ccccc1)c1cc(Cl)c2cccnc2c1O 6457215 HPNHVAVMMGWFEQ-ZVQQDINOSA-N 444.918 5.544 10 50 IKCA Cc1cccc(N2CCN(C(=S)c3ccc(-c4ccc(Cl)cc4Cl)o3)CC2)c1 939665 FAPCRHUJDLYUKQ-UHFFFAOYSA-N 431.388 6.060 10 50 IKCA CC[C@H](C)N1C(=O)/C(=C/c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)SC1=S 2812004 KCNTUXAEUPNTTH-CYUIRQCWSA-N 431.966 5.559 10 50 IKCA O=C(O)CCc1ccc(-c2ccc(Br)cc2)n1-c1ccccc1C(F)(F)F 2991668 OCUKOJUZSNFVFQ-UHFFFAOYSA-N 438.243 5.943 10 50 IKCA Cc1nn(-c2ccc(I)cc2)c(C)c1N=Nc1cccc([N+](=O)[O-])c1 244796151 RUAAPMDPZDFLBY-UHFFFAOYSA-N 447.236 5.417 10 50 IKCA COc1ccc(Br)cc1[C@@H]1Nc2ccc(Br)cc2[C@@H]2C=CC[C@@H]21 9804739 LDCHGWAVJJMAPB-BIENJYKASA-N 435.159 6.047 10 50 IKCA Oc1c(Cl)cc(Cl)cc1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 25868971 XZDKUPMCVMDSRN-SIKLNZKXSA-N 445.733 6.595 10 50 IKCA Cc1cccc(NC(=O)CCCCCN2C(=O)/C(=C\c3cccs3)SC2=S)c1C 32694316 PRYFEHPGVROOON-XMHGGMMESA-N 444.647 5.765 10 50 IKCA COc1ccc2c(c1)S[C@H](c1cc3c(cc1Cl)OCO3)CCN2Cc1cc[nH]n1 12150861 WROMWSCALBXHKE-FQEVSTJZSA-N 429.929 5.044 10 50 IKCA O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(c2ccccc2)=NN1c1ccccc1 101126630 XJEPTHCZRREENG-HAVVHWLPSA-N 435.439 5.689 10 50 IKCA COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2cc(Cl)ccc2O)cc1 239309789 HVUGFBRDTPAFJP-REWPJTCUSA-N 441.314 5.950 10 50 IKCA Oc1c([C@@H](Nc2nc3ccccc3s2)c2ccc(OC(F)F)cc2)ccc2cccnc12 2708576 YDSHHDISKUSKFW-FQEVSTJZSA-N 449.482 6.353 10 50 IKCA CCn1cc(CN2CC[C@@H](c3ccc(OC)c(C)c3)Sc3cc(OC)ccc32)c(C)n1 12152273 QOQWCCKWQPMYLD-DEOSSOPVSA-N 437.609 5.781 10 50 IKCA COc1ccc(C2=NN3[C@H](c4cc(Cl)ccc4O)Oc4ccc(Cl)cc4[C@H]3C2)cc1 239309787 HVUGFBRDTPAFJP-OFNKIYASSA-N 441.314 5.950 10 50 IKCA CCN1C(=O)/C(=C\c2ccccc2OCCCOc2ccc(Cl)cc2)SC1=S 6470651 BXRVDNFCVYDQFE-XMHGGMMESA-N 433.982 5.409 10 50 IKCA Cc1ccc(OCc2ccccc2F)c(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c1 22497118 VDCMQHQVGGZKOM-MTJSOVHGSA-N 439.533 5.708 10 50 IKCA O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccccc2)SC(=S)N1C1CCCC1 2533128 JADPIPLSPVBREE-QNGOZBTKSA-N 431.586 5.683 10 50 IKCA CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2Cc2ccccc2Cl)cc1 13758406 FHTHNPSINGICMV-LGPLSSKUSA-N 427.032 6.055 10 50 IKCA CCn1cc(Cl)c(C(=O)N2N=C(c3ccc4ccccc4c3)C[C@H]2c2ccccc2O)n1 654049 VFCFBVVKGKWBBH-QFIPXVFZSA-N 444.922 5.407 10 50 IKCA Cc1ccc2ccc([C@H](Nc3ccccn3)c3cccc(OCc4ccccc4)c3)c(O)c2n1 6456123 HCTZDSCZZMIZFD-HHHXNRCGSA-N 447.538 6.424 10 50 IKCA O=C1/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)SC(=S)N1Cc1cccnc1 15010821 KTWUBWYJALOFPW-MFOYZWKCSA-N 447.368 6.050 10 50 IKCA COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 22241905 AAQFMRCJNSFSBK-RQZCQDPDSA-N 440.373 5.412 10 50 IKCA CCOc1cc(/C=C2/C(=O)N(c3cccc(Br)c3)N=C2C)cc(Cl)c1OC 998550 GAFOBHQAGJPDKD-LZYBPNLTSA-N 449.732 5.316 10 50 IKCA O=[N+]([O-])c1ccc([C@@H]2[C@@H]3CC=C[C@@H]3c3cc(Br)cc4c3N2C[C@@H]2CC=C[C@H]42)cc1 229960259 VUGPWWVPSRHYQI-REJRFELZSA-N 449.348 6.252 10 50 IKCA O=C1/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC(=S)N1c1ccc(F)cc1 1159538 VHIMQFMNNLPWQH-WQRHYEAKSA-N 426.450 5.400 10 50 IKCA O=C1N=C(N2CCN(c3cccc4ccccc34)CC2)S/C1=C/c1ccc(Cl)cc1 13532643 IWENOSXOJHQCHT-CJLVFECKSA-N 433.964 5.286 10 50 IKCA CCN1C(=O)/C(=C/c2ccc(OC)c(COc3ccc(F)c(Cl)c3)c2)SC1=S 1015980 POSXCTDBXZBMHV-NVMNQCDNSA-N 437.945 5.288 10 50 IKCA CCc1cc2c(=O)c(Oc3ccccc3F)c(C(F)(F)F)oc2c(CN(C)C)c1O 1171752 DIMLCRDMPLQZGM-UHFFFAOYSA-N 425.378 5.073 10 50 IKCA COC(=O)c1ccc(-n2c(C)cc(/C=C3\SC(=O)N(c4ccccc4)C3=O)c2C)cc1 1186491 PKWZYWVRJWTTPH-STZFKDTASA-N 432.501 5.122 10 50 IKCA CCCCSc1c(C(=O)Nc2ccc(OC)cc2)ccc2c1C(=O)c1ccccc1C2=O 12410832 SNBWWEUPYYJVSG-UHFFFAOYSA-N 445.540 5.615 10 50 IKCA Oc1ccc(Cl)cc1[C@@H]1Oc2c(Cl)cc(Cl)cc2[C@H]2CC(c3ccccc3)=NN12 25558728 VGXKXBKMGRGZBW-KNQAVFIVSA-N 445.733 6.595 10 50 IKCA Cc1ccc(C)c(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C(C)C)C2=O)c1 2324025 OOGDOACCZNZWLN-BKUYFWCQSA-N 433.602 5.766 10 50 IKCA O=C1/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC(=S)N1C1CCCCC1 8426550 DDYVFHADHINGME-LDADJPATSA-N 437.508 6.499 10 50 IKCA CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OC(=O)c1ccc(F)cc1 16247250 FZWUJBKTEUWTKP-PXLXIMEGSA-N 444.462 5.250 10 50 IKCA Oc1ccc(Br)cc1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc(F)cc3)=NN21 25572784 IEFJFGHRKIGBDM-SIKLNZKXSA-N 439.284 5.536 10 50 IKCA Cc1ccc(N2C(=O)/C(=C/c3ccccc3I)SC2=S)cc1 2899023 OVHCMNPLEHGRFL-GDNBJRDFSA-N 437.327 5.005 10 50 IKCA COC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(c4ccccc4F)C3=O)o2)cc1 16193073 QUBQHQJQXTXVKD-UNOMPAQXSA-N 439.489 5.278 10 50 IKCA COc1ccc(OC)c(NC(=O)c2c(NCc3ccc(C)o3)sc3c2CC[C@@H](C)C3)c1 920910 PYMNHHOLIWZYKE-CQSZACIVSA-N 440.565 5.656 10 50 IKCA COc1ccc2c(c1)S[C@H](c1ccc(F)c(F)c1)CCN2Cc1ccc(O)c(OC)c1 14886205 ZABPBEDEMAOEBU-QHCPKHFHSA-N 443.515 5.931 10 50 IKCA O=C1N=C(N2C=CC(=C(O)c3ccccc3)C=C2)/C(=C\N=NC(=O)c2ccccc2)S1 334157351 XBLVSXCXXQVUGK-UASJYCSOSA-N 428.473 5.698 10 50 IKCA Cc1ccc(OCCCOc2ccc(Cl)cc2/C=C2/SC(=S)NC2=O)c(C)c1 2874064 SCMIUPAKNYZQEE-XDHOZWIPSA-N 433.982 5.294 10 50 IKCA CC(=O)c1ccc(NC(=O)c2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)cc1 8435057 TWLFTCMJWXGBIV-UHFFFAOYSA-N 441.490 6.544 10 50 IKCA CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(N(C)C)cc2)cc1 248022796 GACKBCGBQGSCSV-AHWVRZQESA-N 447.966 6.047 10 50 IKCA CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\c1c(C)nn(-c2cccc3ccccc23)c1O 8384783 HFWFPZLTYQMKJC-HAHDFKILSA-N 436.515 5.462 10 50 IKCA CCN1C(=O)/C(=C\c2ccccc2OCCCOc2ccccc2Cl)SC1=S 6470659 ODMHFOYZVPWRLK-XMHGGMMESA-N 433.982 5.409 10 50 IKCA COc1ccc(NC(=O)c2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)cc1 13563443 ABIAUPSWCCVJMS-UHFFFAOYSA-N 429.479 6.350 10 50 IKCA COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(N(C)C)cc2)cc1 13616531 DMXOQHWJPHAHJT-ILBGXUMGSA-N 433.939 5.657 10 50 IKCA Cc1ccc([C@H](NC(=O)COc2ccccc2)c2cc(Cl)c3cccnc3c2O)cc1 15821826 OQNQXFLPBUDTCY-QHCPKHFHSA-N 432.907 5.187 10 50 IKCA biogenic CC(C)c1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)CN=[N+]=[N-])c2ccccc2)cc1 111954727 HSXWGWBEPUSWEK-XMMPIXPASA-N 433.556 5.644 10 50 IKCA CCOc1cc(/C=C2/SC(=S)NC2=O)ccc1OCCCOc1ccc(C)c(C)c1 2878620 SZDVVZZEEFCXHO-KGENOOAVSA-N 443.590 5.039 10 50 IKCA O=C(O)c1cc(Br)cc2c1N[C@H](c1ccccc1C(F)(F)F)[C@@H]1CC=C[C@H]21 16400857 FSJSKGPHUKTDIJ-JKDFXYPNSA-N 438.243 5.993 10 50 IKCA Cc1cc(Oc2c(C(F)(F)F)oc3c(CN(C)C)c(O)ccc3c2=O)cc(C)c1Cl 6162990 CQBMJPKTEQSHNO-UHFFFAOYSA-N 441.833 5.642 10 50 IKCA COc1ccc([C@@H]2N=NC(C3C(=O)c4ccccc4C3=O)=C[C@@H]2c2ccccc2)cc1OC 103465888 AGZYMSLTCSDPPF-NLFFAJNJSA-N 438.483 5.574 10 50 IKCA O=C1/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)SC(=S)N1Cc1ccco1 1133638 WCQDBZZDDFJZDJ-SXGWCWSVSA-N 436.341 6.248 10 50 IKCA CCN1C(=O)/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)SC1=S 1161669 MFWLMPWHBJDJIY-YVLHZVERSA-N 434.926 5.048 10 50 IKCA Cc1cccc(N[C@H](c2ccc(OC3CCCC3)cc2)c2ccc3ccc(C)nc3c2O)n1 15015895 XPYSRKPOTZOHOF-AREMUKBSSA-N 439.559 6.475 10 50 IKCA O=C1NC(=S)S/C1=C/c1cc(Cl)ccc1OCCCOc1ccccc1Cl 2878461 FDBZBXJDYDXZNB-GZTJUZNOSA-N 440.373 5.330 10 50 IKCA COc1cccc(C(=O)N[C@H](/C=C/c2ccccc2)c2cc(Cl)c3cccnc3c2O)c1 6427093 MIDIVLDQHNVZLB-MDRMPYQZSA-N 444.918 5.787 10 50 IKCA COc1cccc([C@H]2N=NC(C3C(=O)c4ccccc4C3=O)=C[C@@H]2c2ccccc2)c1OC 103465882 DQILQMCELXQZLN-HYBUGGRVSA-N 438.483 5.574 10 50 IKCA Cc1cccc(COc2ccc(Br)cc2/C=C2/SC(=S)N(C)C2=O)c1 2843846 FLFUWQCHXKCKLY-LICLKQGHSA-N 434.380 5.168 10 50 IKCA O=C1c2cc3ccccc3cc2C(=O)[C@@H]2C[C@H]3C(=O)c4cc5ccccc5cc4C(=O)[C@@H]3C[C@H]12 101094105 RSFWPFAWCIUFIO-POTDNYQPSA-N 444.486 5.710 10 50 IKCA CC(C)(C)c1cc(-c2ccc(N)c3c2C(=O)c2ccccc2C3=O)cc(C(C)(C)C)c1O 4981414 MKBYWOKTFUJBKR-UHFFFAOYSA-N 427.544 6.012 10 50 IKCA COc1ccc(Br)cc1[C@@H]1Nc2ccc(Br)cc2[C@@H]2C=CC[C@H]21 20598097 LDCHGWAVJJMAPB-PJIJBLCYSA-N 435.159 6.047 10 50 IKCA O=C1/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)SC(=S)N1C[C@H]1CCCO1 13590967 ANUBAMYZSAOOSS-ZLYHGVDXSA-N 440.373 5.634 10 50 IKCA CCn1cc(CN2CC[C@@H](c3ccc(F)cc3F)Sc3cc(OC)ccc32)c(C)n1 15000014 AYCCILZQGHIBGP-QFIPXVFZSA-N 429.536 5.742 10 50 IKCA CCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC1=S 19878946 DYOBMMIYFBIJLA-CPNJWEJPSA-N 439.993 5.804 10 50 IKCA O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)C1CCN(Cc2ccccc2O)CC1 20998103 HGBLEEKFVQMTSH-UHFFFAOYSA-N 427.504 5.051 10 50 IKCA CCOc1ccc(C2=C/C(=C/c3ccc(-c4cccc(Cl)c4Cl)o3)C(=O)O2)cc1 22135393 CLSWHTOLSFBVKO-QINSGFPZSA-N 427.283 6.633 10 50 IKCA CC[C@H](C)c1ccccc1OCCCOc1ccc(/C=C2/SC(=S)N(C)C2=O)cc1 2878584 SIAXBDHSHKFNFW-JMMZKRSASA-N 441.618 5.879 10 50 IKCA CCN1C(=O)/C(=C\c2cccc(OCCCOc3ccc(Cl)cc3)c2)SC1=S 6470609 SDYKTLZISAJFTH-XMHGGMMESA-N 433.982 5.409 10 50 IKCA CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)ccc1OCc1ccc(Cl)cc1 16677206 SGPMKNKJBYIGQQ-XDHOZWIPSA-N 433.982 5.539 10 50 IKCA O=C(O)c1cc(Br)cc2c1N[C@H](c1ccccc1C(F)(F)F)[C@H]1CC=C[C@@H]21 2873695 FSJSKGPHUKTDIJ-PEBVRCNWSA-N 438.243 5.993 10 50 IKCA CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2Cc2ccccc2Cl)cc1 13758403 FHTHNPSINGICMV-SKBVVQJISA-N 427.032 6.055 10 50 IKCA CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 16160942 NMIUSRFVQQDAHM-BOPFTXTBSA-N 441.270 5.758 10 50 IKCA Nc1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(N)cc4)cc3)cc2)cc1 639322 UTDAGHZGKXPRQI-UHFFFAOYSA-N 432.501 5.268 10 50 IKCA in-vitro C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 8430811 XIKQCLVQTJCGMT-LBPRGKRZSA-N 440.282 5.175 10 50 IKCA CC(=O)Oc1ccc([C@@H]2Nc3c(C(=O)c4ccccc4)cc(Cl)cc3[C@H]3C=CC[C@H]32)cc1 2818008 SZTXVDPMMIVKNV-FBLLAGFSSA-N 443.930 6.323 10 50 IKCA O=C1NC(=S)S/C1=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl 2965842 KTDOXJNQLKAOJL-GIDUJCDVSA-N 430.765 5.715 10 50 IKCA CCCN(CCC)c1ccc([C@@H]2Nc3ccccc3-c3nnc(SCC)nc3O2)cc1 2906196 QICHVLKERHTPLD-JOCHJYFZSA-N 435.597 5.780 10 50 IKCA O=C1/C(=C\c2cc(Br)ccc2F)SC(=S)N1c1cccc2ccccc12 9310401 ZBVGJGWPHBNLBB-WOJGMQOQSA-N 444.350 6.147 10 50 IKCA Oc1c(Br)cc(Br)cc1CN1CC=C(c2ccc(F)cc2)CC1 23279928 ALSOWWDWZNMFGK-UHFFFAOYSA-N 441.138 5.346 10 50 IKCA C[C@H]1CC(C)(C)N(Cc2ccccc2)c2ccc(/C=C3\N=C(c4ccccc4)OC3=O)cc21 253496034 ZJJXQLCFUKZGPK-JTOYMXJDSA-N 436.555 6.324 10 50 IKCA O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccc(F)c(Cl)c1 1218073 KIQBMERGARWITO-XNTDXEJSSA-N 440.974 5.161 10 50 IKCA CCCC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(C(=O)O)cc2)cc1 13124851 JQFHVIXDOTUIRX-ULJHMMPZSA-N 440.499 5.550 10 50 IKCA CN(C)c1ccc(/C=C/CN2CCC(n3c([C@@H]4CCCO4)nc4ccccc43)CC2)cc1 12218878 ZETGYYQNBINQSF-MXDXTTGUSA-N 430.596 5.304 10 50 IKCA Cc1ccc(N2C(=O)/C(=C/c3ccc(I)cc3)SC2=S)cc1 2905817 UEKQAQJSUPSPAN-GDNBJRDFSA-N 437.327 5.005 10 50 IKCA O=C1C(=CNc2cccc(Cl)c2)C(=O)N(C2CCCCC2)C(=O)N1C1CCCCC1 6974451 QXDCHVPLAQTAPO-UHFFFAOYSA-N 429.948 5.092 10 50 IKCA COc1cccc([C@@H]2N=NC(C3C(=O)c4ccccc4C3=O)=C[C@@H]2c2ccccc2)c1OC 103465878 DQILQMCELXQZLN-YKSBVNFPSA-N 438.483 5.574 10 50 IKCA CCN(CC)c1ccc2c(c1Oc1ccc(C(C)(C)C)cc1)C(=O)c1ccccc1C2=O 4981635 LZMDKVSAYYFEPR-UHFFFAOYSA-N 427.544 6.398 10 50 IKCA CCN1C(=O)/C(=C\c2cccc(OCCCOc3ccccc3Cl)c2)SC1=S 6470616 SVQVPTIJKNTGFA-XMHGGMMESA-N 433.982 5.409 10 50 IKCA COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)N(Cc1ccc(N(C)C)cc1)CC2 16672210 ZLVPBCWNMROIEP-SANMLTNESA-N 436.983 5.571 10 50 IKCA CC[C@H](C)c1ccccc1OCCCOc1cccc(/C=C2/SC(=S)NC2=O)c1 2882680 XBQPTVHKMOYMGZ-WASCAKKMSA-N 427.591 5.537 10 50 IKCA O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2)N1CCCc2ccccc21 16192664 YMDXXZNDQQUJMI-AZSVPQILSA-N 440.974 6.760 10 50 IKCA CN(C)c1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc1Br 16193366 UNHPWIAWXLFVIG-YBEGLDIGSA-N 437.359 5.060 10 50 IKCA O=C1c2ccccc2C(=O)c2c1c(C(=O)OCc1ccccc1)c1cc3ccccc3cn21 950306 PZOHJGLEQFGSAT-UHFFFAOYSA-N 431.447 5.225 10 50 IKCA C[C@@H](Oc1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1)c1ccccc1 2959102 NWAPFUHJSAIMPZ-OZHVRZOASA-N 431.582 6.228 10 50 IKCA COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(Cl)cc1C(=O)c1ccccc1 2882210 QFLNDZVGMNITNO-UHFFFAOYSA-N 438.936 5.015 10 50 IKCA Cc1c(C(c2ccc(O)c(O)c2O)c2c(C)n(C)c3ccccc23)c2ccccc2n1C 15016746 GYTPYFOOWTUICX-UHFFFAOYSA-N 426.516 5.584 10 50 IKCA O=S(=O)(Nc1cc(SCc2ccccc2)c(O)c2ccccc12)c1ccc(F)cc1 2856111 YBFIWGGSPVJORF-UHFFFAOYSA-N 439.533 5.778 10 50 IKCA CCc1ccc(OCCCOc2ccc(Cl)cc2/C=C2/SC(=S)NC2=O)cc1 2874002 GYVMQOBPYABRSY-CPNJWEJPSA-N 433.982 5.239 10 50 IKCA Cc1cccc(C2=NN3C(=N)/C(=C\c4cc(C)n(-c5ccccc5)c4C)C(=O)N=C3S2)c1 6188431 QGFFTJWUQFMMHN-SMKDVUIYSA-N 439.544 5.070 10 50 IKCA Cc1cc(NC(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2ccc(F)cc2)N3)ccc1[N+](=O)[O-] 257370773 NAULBUWJGXCSOS-TYBLODHISA-N 443.478 6.121 10 50 IKCA CCN1C(=O)/C(=C\c2ccc(OCCCOc3ccc(C)c(C)c3)cc2)SC1=S 6470568 PLLZKFCPZRFWDK-RCCKNPSSSA-N 427.591 5.372 10 50 IKCA CC(C)CC1=NN2C(=N)/C(=C/c3ccc(OCc4ccccc4F)cc3)C(=O)N=C2S1 12382182 YWTANFZAFLGUDP-JLFKZYKSSA-N 436.512 5.070 10 50 IKCA O=C(O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N3C[C@H]1CC=C[C@@H]21 239432931 WXZHYNIYTFJYOW-QKZKXAEISA-N 448.360 6.042 10 50 IKCA COc1ccc(N2C(=O)/C(=C/c3ccc4c5ccccc5n(C)c4c3)SC2=S)cc1 1152323 DTBANQZXJKAKIF-HMAPJEAMSA-N 430.554 5.746 10 50 IKCA O=C1/C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)SC(=S)N1c1ccccc1 15012081 GKPNYBGIYHOLLH-SFQUDFHCSA-N 429.975 6.490 10 50 IKCA CCN1C(=O)/C(=C\c2cc(Cl)ccc2OCCCOc2ccccc2)SC1=S 22241867 DNIAAELSGMGURC-XMHGGMMESA-N 433.982 5.409 10 50 IKCA COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(c4ccccc4)N=C3C(F)(F)F)o2)cc1 22298599 RELBRUBTDSFJAL-AQTBWJFISA-N 440.377 5.082 10 50 IKCA Cc1cccc(N[C@@H](c2ccc(OC3CCCC3)cc2)c2ccc3ccc(C)nc3c2O)n1 2874257 XPYSRKPOTZOHOF-SANMLTNESA-N 439.559 6.475 10 50 IKCA Cc1cc(NC(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2ccc(F)cc2)N3)ccc1[N+](=O)[O-] 39936370 NAULBUWJGXCSOS-OTPAQWSUSA-N 443.478 6.121 10 50 IKCA O=C1/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC(=S)N1c1ccc(F)cc1 1159619 YAFLBGBFLFIXKE-WQRHYEAKSA-N 426.450 5.400 10 50 IKCA CN(C)c1ccc(-c2nc3cc(NC(=O)c4ccc(Cl)cc4Cl)ccc3o2)cc1 2893079 MDOFTAOZBKQLRW-UHFFFAOYSA-N 426.303 6.120 10 50 IKCA CC(C)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC1=S 16729795 BOXMSABAFSEPJC-UNOMPAQXSA-N 439.993 5.802 10 50 IKCA CCOC(=O)c1c(C)sc2c1N(C(=O)CN(CC)CC)c1cc(Cl)ccc1S2 8453944 XCWZWVQOWUAVHN-UHFFFAOYSA-N 439.002 5.358 10 50 IKCA CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)ccc1OCc1ccccc1Cl 22185050 VXYGSJZRUIZCAV-XDHOZWIPSA-N 433.982 5.539 10 50 IKCA COc1ccc(CCN2C(=O)/C(=C/c3ccc(C(C)C)cc3)SC2=S)cc1OC 1091470 NOADFBKZJAQHQN-STZFKDTASA-N 427.591 5.271 10 50 IKCA COc1cccc(C(=O)N[C@H](c2ccc(C)cc2)c2cc(Cl)c3cccnc3c2O)c1 6432018 DYRXAXDGAQMJDP-JOCHJYFZSA-N 432.907 5.430 10 50 IKCA biogenic [N-]=[N+]=NCc1ccc(/C(=C(\c2ccccc2)c2ccc(CN=[N+]=[N-])cc2)c2ccccc2)cc1 202231825 IXQXFSMBYFNNPN-BYYHNAKLSA-N 442.526 8.315 10 50 IKCA CC(C)c1sc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)nc1-c1ccccc1 1875298824 OVIBDQFOYQUFCX-UHFFFAOYSA-N 442.484 5.633 10 50 IKCA CC[C@@H](C)c1ccccc1OCCCOc1cccc(/C=C2/SC(=S)N(C)C2=O)c1 2882385 FUORUULZHCKFKL-FIOICXDGSA-N 441.618 5.879 10 50 IKCA COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4Cl)o3)SC2=S)cc1 8386686 WYTSMQXWILZQLB-XDHOZWIPSA-N 427.934 6.014 10 50 IKCA CC1=NN(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(-c2cccc(C(=O)O)c2)o1 100148196 XLFWCHROOHQZQJ-XDHOZWIPSA-N 440.377 5.470 10 50 IKCA Cc1cc(C(=O)CSc2nnc3ccccn23)c(C)n1-c1cc(Cl)ccc1Cl 1109743 LFIHTORSSMNOGA-UHFFFAOYSA-N 431.348 5.419 10 50 IKCA COc1cccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(N(C)C)cc2)c1 25581941 MJNBPQFGXZARHX-UKILVPOCSA-N 433.939 5.657 10 50 IKCA CCOC(=O)c1c(N/C=C2\C(=O)N(c3ccc(C)c(C)c3)N=C2C)sc2c1CCCC2 100535535 BKTAWUBJJQZUCE-UYRXBGFRSA-N 437.565 5.139 10 50 IKCA O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2 101854361 XKVSHNLQIOZNHH-ZFGGDYGUSA-N 445.906 6.327 10 50 IKCA Cc1ccc(C)c(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CC(C)C)C2=O)c1 33431710 OUXWWJPJUCJNGG-LPYMAVHISA-N 447.629 6.013 10 50 IKCA Cc1cc(/C=C2\C(=N)N3N=C(Cc4cccs4)SC3=NC2=O)c(C)n1-c1ccccc1 16248037 AROKCXCMQAHXRN-DGIAZZNKSA-N 445.573 5.018 10 50 IKCA Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)o1 22298747 DJRXFNUMSGYNEN-PDGQHHTCSA-N 441.365 5.512 10 50 IKCA CCN(CC)c1ccc(/C=C\C=C/C=C\c2cc[n+](CCC[N+](CC)(CC)CC)cc2)cc1 33364576 QIMSZQJQVSKLAI-UHFFFAOYSA-N 447.711 6.370 10 50 IKCA in-vitro O=S(=O)(Nc1ccc(O)c(Sc2nc3ccccc3s2)c1)c1ccc(F)cc1 781558 LSZXXNGUMSFATP-UHFFFAOYSA-N 432.523 5.093 10 50 IKCA CCCCC1(Cc2ccc([N+](=O)[O-])cc2)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O 2995330 YDLMGZKDOGOGKB-UHFFFAOYSA-N 443.503 5.309 10 50 IKCA COc1ccc2c(c1)S[C@H](c1ccc(F)cc1F)CCN2Cc1c(C)nn(C)c1Cl 12244317 JNJDZAPJNIXLOH-FQEVSTJZSA-N 449.954 5.912 10 50 IKCA O=C1/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C(O)=NC(=S)N1c1ccccc1F 1182376 WPRTXKVCDFDGCQ-RVDMUPIBSA-N 426.856 5.411 10 50 IKCA COc1ccc2c(c1)c(/C=C/c1nc3ccccc3c(=O)n1Cc1ccccc1)c(C)n2C 16393899 SBAZMMTUFFUFMF-JQIJEIRASA-N 435.527 5.424 10 50 IKCA CC[C@H](C)c1ccc(OCCCOc2ccc(/C=C3/SC(=S)NC3=O)cc2)cc1 2874074 PMURTXAYJZCKRX-WASCAKKMSA-N 427.591 5.537 10 50 IKCA CCOC(=O)[C@H](Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)c1ccccc1 2976745 ICRLYMQARHYWKP-XMMPIXPASA-N 434.875 5.797 10 50 IKCA CC(C)N(C(=S)Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)C(C)C 12382427 ZAJFNVFXSCFVPY-UHFFFAOYSA-N 438.600 6.905 10 50 IKCA CC[C@@H](C)c1ccc(OCCCOc2ccccc2/C=C2/SC(=S)N(C)C2=O)cc1 2882441 XMCKYLORCNNMGH-FIOICXDGSA-N 441.618 5.879 10 50 IKCA COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)c(OC)c1 16192850 HJEIXSKSANGGGK-APSNUPSMSA-N 426.346 5.416 10 50 IKCA CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 100148077 VWXSRBJMGWTPIA-GZTJUZNOSA-N 441.270 5.758 10 50 IKCA O=C1/C(=C\c2ccc(-c3cccc4ccccc34)o2)SC(=S)N1Cc1ccccc1 6142340 YXUNKSIFACTDGB-HZHRSRAPSA-N 427.550 6.501 10 50 IKCA COc1cc([C@@H](Nc2cc(C)ccn2)c2ccc3ccc(C)nc3c2O)cc(Cl)c1OC 18208675 BITXZZNWWHVZPE-JOCHJYFZSA-N 449.938 5.824 10 50 IKCA CCCN1C(=O)/C(=C/c2ccc(OC(=O)c3oc4ccccc4c3C)cc2)SC1=S 1254980 UOPGTZWBVZVMHJ-UYRXBGFRSA-N 437.542 5.572 10 50 IKCA Cc1c(C(=O)O)cc(-c2ccc(Br)cc2)n1-c1ccc(Br)cc1 4237799 NLBFIICBXBRJMW-UHFFFAOYSA-N 435.115 5.676 10 50 IKCA COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(C(=O)O)cc4)o3)SC2=S)cc1 6645254 FFIQXMCJQFNVID-XDHOZWIPSA-N 437.498 5.059 10 50 IKCA CC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@H]1CN3[C@@H](c1cccc(Br)c1)[C@H]1CC=C[C@@H]21 239339136 LTANIYNVENJTCN-PDLBJYQGSA-N 446.388 6.546 10 50 IKCA Cc1ccc(-n2c(C)cc(/C=C3/SC(=S)N(c4cccc([N+](=O)[O-])c4)C3=O)c2C)cc1 2988119 WJWFVMASYOEAGT-CIAFOILYSA-N 449.557 5.717 10 50 IKCA Nc1ccc(Oc2ccc3nc(-c4ccccc4)c(-c4ccc([N+](=O)[O-])cc4)nc3c2)cc1 8666840 RWRLGYYQFKUVIX-UHFFFAOYSA-N 434.455 6.247 10 50 IKCA Cc1ccc([C@@H](NC(=O)COc2ccccc2)c2cc(Cl)c3cccnc3c2O)cc1 15821823 OQNQXFLPBUDTCY-HSZRJFAPSA-N 432.907 5.187 10 50 IKCA biogenic COc1ccc(-c2csc(NCc3c(O)ccc4ccccc34)n2)cc1Br 2845779 UCDKXRPMJJDCNF-UHFFFAOYSA-N 441.350 6.052 10 50 IKCA Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)SC2=S)cc1 8872060 OHACJBMBYNAUJT-YBFXNURJSA-N 446.380 6.968 10 50 IKCA COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)N(Cc1cccc(OC)c1O)CC2 22023188 HBVYDHUANVAJAP-XMMPIXPASA-N 439.939 5.219 10 50 IKCA O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2)N1CCCCC1 6144588 JYWBBHQMIZZTQG-PMAPCBKXSA-N 427.375 6.446 10 50 IKCA COc1cccc(CN2CCC[C@H](c3[nH]ncc3-c3cccc(C(F)(F)F)c3)C2)c1O 42942875 BYVIUVFLQOEUMC-INIZCTEOSA-N 431.458 5.189 10 50 IKCA CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2Cc2ccccc2Cl)cc1 57316915 FHTHNPSINGICMV-ARMFNRFLSA-N 427.032 6.055 10 50 IKCA CC(C)c1ccc(/C=C2\SC(=S)N(CNc3ccc(Br)cc3)C2=O)cc1 334160523 GOWXBFDTOQVBBP-WQRHYEAKSA-N 447.423 5.843 10 50 IKCA Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)N[C@H](C)c2ccc3ccccc3c2)cc1 2325702158 GVHCHZGWULTIPJ-HXUWFJFHSA-N 426.516 5.282 10 50 IKCA CCOc1cc(/C=C2\SC(=S)N([C@H](C)CC)C2=O)ccc1OCc1ccccc1 2668103 AGZPYVJGTLNMSC-QAIWHXNASA-N 427.591 5.664 10 50 IKCA O=C(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2)N1CCCCC1 6144586 JYWBBHQMIZZTQG-IEGUWTFLSA-N 427.375 6.446 10 50 IKCA Cc1ccccc1N1C(=O)C(=Cc2c[nH]c3ccccc23)C(=O)N(c2ccccc2C)C1=O 1062619 ZYKQSCGEAMHBDT-UHFFFAOYSA-N 435.483 5.368 10 50 IKCA Cc1cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)c(C)n1-c1ccccc1 1156951 YADWDLPWBYGWQZ-UDWIEESQSA-N 435.530 5.408 10 50 IKCA CN1C(=O)/C(=C\c2ccc(OCCCOc3ccc(C(C)(C)C)cc3)cc2)SC1=S 15857110 WQYFDJGKNVTQBF-LTGZKZEYSA-N 441.618 5.663 10 50 IKCA Cc1ncc(-c2ccc(F)cc2)c([C@@H]2CCCN(Cc3c(O)ccc4ccccc34)C2)n1 20995790 WLVCZSHPOQCQBR-OAQYLSRUSA-N 427.523 5.830 10 50 IKCA CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C)C2=O)cc1 13785847 JGUUSZBJRSXCGZ-MOSHPQCFSA-N 435.574 5.158 10 50 IKCA O=C1/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC(=S)N1C1CCCCC1 2287292 XCDIOPMBNVFORS-WOJGMQOQSA-N 438.401 6.787 10 50 IKCA COC(=O)c1cc(-c2ccc(Br)cc2)n(-c2ccc(Br)cc2)c1C 4237812 JIYTVTRASFOWEI-UHFFFAOYSA-N 449.142 5.764 10 50 IKCA CC(C)(C)c1cc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c(O)c(C(C)(C)C)c1 12381538 JSXSOJGJGYFYID-UHFFFAOYSA-N 448.573 6.328 10 50 IKCA CC/C(NCc1ccccc1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 100158072 CEGGOUGATWDISX-VKAVYKQESA-N 430.455 5.015 10 50 IKCA CCn1cc(Cl)c(C(=O)N2N=C(c3ccc4ccccc4c3)C[C@@H]2c2ccccc2O)n1 654047 VFCFBVVKGKWBBH-JOCHJYFZSA-N 444.922 5.407 10 50 IKCA Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3c(C)cc(C)cc3C)C2=O)cc1 1181743 UIIVXJLNYZUOJD-XSFVSMFZSA-N 438.618 5.540 10 50 IKCA CC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N3C[C@@H]1CC=C[C@H]21 239433301 XMOGORDPIWNJPL-VSALZBCGSA-N 446.388 6.546 10 50 IKCA O=C(O)c1cc2c3c(c1)[C@@H]1CC=C[C@@H]1[C@H](c1ccc(Br)cc1)N3C[C@@H]1CC=C[C@H]21 247394024 LWUPMVGMGQEQBX-SLEIARFRSA-N 448.360 6.042 10 50 IKCA CCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cccc5ccccc45)c3C)C(=O)N=C2S1 8453474 FEPKCFWTAWEWHC-HRXHUYTNSA-N 427.533 5.277 10 50 IKCA COc1ccc(CCN2C(=O)/C(=C\c3ccc(C(C)C)cc3)SC2=S)cc1OC 1091469 NOADFBKZJAQHQN-KGENOOAVSA-N 427.591 5.271 10 50 IKCA CCc1ccccc1NC(=O)CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S 1182955 DQAPJOAKCOISGB-AQTBWJFISA-N 430.982 5.132 10 50 IKCA CN(C)c1ccc(/C=C/CN2CCC(n3c([C@H]4CCCO4)nc4ccccc43)CC2)cc1 12218879 ZETGYYQNBINQSF-UJWGQFCKSA-N 430.596 5.304 10 50 IKCA Nc1c(Cl)cc(N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc1Cl 2907282 ZTWOHLNDHNIQDC-UHFFFAOYSA-N 444.916 5.990 10 50 IKCA Cc1nc(N)sc1-c1csc(Nc2ccc(Br)cc2Br)n1 841151 LBBHSCPCROUSTN-UHFFFAOYSA-N 446.193 5.426 10 50 IKCA O=C1/C(=C/c2ccccc2OCCOc2ccccc2)SC(=S)N1c1ccccc1 2993623 OVQZQPRLPPWXHT-XLNRJJMWSA-N 433.554 5.550 10 50 IKCA COc1ccccc1OCCCOc1ccc(Cl)cc1/C=C1/SC(=S)N(C)C1=O 15857096 DGGWVTKKKFXQRM-CPNJWEJPSA-N 449.981 5.028 10 50 IKCA Oc1c(Cl)cc(Cl)cc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccc(Cl)cc3)=NN21 25868980 XZDKUPMCVMDSRN-DENIHFKCSA-N 445.733 6.595 10 50 IKCA CC[C@H](C)N1C(=O)/C(=C2/C(=O)N(Cc3ccccc3Cl)c3ccccc32)SC1=S 2672261 ZFEQFGJTVADGTQ-UNQMGURYSA-N 442.993 5.257 10 50 IKCA CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C)C2=O)cc1C 19912637 IPMVBBPLDKTQIY-DEDYPNTBSA-N 435.574 5.077 10 50 IKCA CN(Cc1csc(-c2ccccc2)n1)Cc1cc(-c2nc3ccccc3s2)ccc1O 14987268 QRCOANVOZQMHQX-UHFFFAOYSA-N 443.597 6.424 10 50 IKCA N=C1/C(=C\c2ccc(-c3ccc(F)cc3)o2)C(=O)N=C2SC(Cc3cccs3)=NN12 16265854 CXMSTJYKDWJTEE-ONVPTEKUSA-N 436.493 5.009 10 50 IKCA CCOC(=O)C1=C(C(=O)OCC)SC(=C2C(=S)C(C)(C)Nc3ccc(C)cc32)S1 3878848 SKZHBAMWWCDALS-UHFFFAOYSA-N 449.619 5.055 10 50 IKCA CC(=O)Nc1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C=C2c2ccccc2)cc1 6196043 AIWJGVFHSBBCCN-HMMYKYKNSA-N 425.444 5.025 10 50 IKCA CCOC(=O)c1ccc(N2N=C(C)/C(=C/c3ccc(-c4ccc(C)c(Cl)c4)o3)C2=O)cc1 16192542 JYYLGFIUALTOOL-STZFKDTASA-N 448.906 5.891 10 50 IKCA O=C1/C(=C\c2cccc(OCc3ccccc3)c2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 9310726 XOBYHHZALPNJHD-KGENOOAVSA-N 448.525 5.580 10 50 IKCA CCOC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(c4ccccc4C)C3=O)o2)cc1 22309694 LPNWOXCFSBZCGZ-STZFKDTASA-N 449.553 5.838 10 50 IKCA COc1ccc(-c2csc(N3N=C(C)[C@@H](/N=N/c4nc5ccccc5s4)C3=O)n2)cc1 100506438 OSIPDQYFTNUHSJ-PZPYUUCDSA-N 448.533 5.303 10 50 IKCA CN(C)c1ccc([C@@H]2Nc3ccccc3-c3nnc(SCc4ccccc4)nc3O2)cc1 2977674 IWRNTRUANRBILT-HSZRJFAPSA-N 441.560 5.400 10 50 IKCA CCCOc1c(Br)cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1OC 16156308 RMZOEKQFTIHGQR-GZTJUZNOSA-N 429.314 5.053 10 50 IKCA CN(C)c1ccc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc1Br 16192899 QHWGUCHDOWLTPZ-YBEGLDIGSA-N 437.359 5.060 10 50 IKCA CC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Br)c1)N3C[C@H]1CC=C[C@@H]21 239339137 LTANIYNVENJTCN-PLNGWDEDSA-N 446.388 6.546 10 50 IKCA COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2 227204249 QMJYALQHUQUUHD-UMEGOILYSA-N 425.484 5.519 10 50 IKCA COc1ccc(Nc2cc(NC[Si](C)(C)C)c3noc4c3c2C(=O)c2ccccc2-4)cc1 195814794 NUZXUWHDTVPCFV-UHFFFAOYSA-N 443.579 6.081 10 50 IKCA COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)N(Cc1cc(Cl)ccc1O)CC2 22023269 PKXNQUUEFVHQSL-XMMPIXPASA-N 444.358 5.864 10 50 IKCA O=C(O)CCCN1C(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S 13343561 YGLUYWUCUITNSZ-OQLLNIDSSA-N 442.345 5.319 10 50 IKCA CCN1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccccc2C)SC1=S 6470485 RBCGHNMAIXAUPD-WOJGMQOQSA-N 448.407 5.558 10 50 IKCA O=C1/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)SC(=S)N1C[C@@H]1CCCO1 13590965 ANUBAMYZSAOOSS-OLWAXZHHSA-N 440.373 5.634 10 50 IKCA CCN1C(=O)/C(=C\c2ccccc2OCCCOc2cccc(C)c2C)SC1=S 6470657 IJBJHAUYWOBTRH-RCCKNPSSSA-N 427.591 5.372 10 50 IKCA O=C(c1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@H]21)N1CCOCC1 10007341 MZXBRFVCLOJESL-MRUHUIDDSA-N 429.347 5.292 10 50 IKCA O=C(CCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1cc(Cl)cc(Cl)c1 1217965 NYPQRJCJTXSZIU-PXNMLYILSA-N 437.373 5.223 10 50 IKCA O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(C(=O)C(=O)c2ccccc2)cc1 1774160 AEPCPXAUKUITPN-UHFFFAOYSA-N 431.797 5.677 10 50 IKCA CCOC(=O)c1cccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)SC2=S)c1 1777714 VGBXMTQXPJANOT-SXGWCWSVSA-N 438.357 5.576 10 50 IKCA CC(C)(C)c1cc2c(c(C(C)(C)C)c1)O[C@@H](c1ccc(I)o1)N2 2283403 JPIPREULRGGIBP-KRWDZBQOSA-N 425.310 5.982 10 50 IKCA O=C1/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)SC(=S)N1Cc1ccco1 19893710 SOPPOOGQGAAMEC-MFOYZWKCSA-N 436.341 6.248 10 50 IKCA COc1ccc(/C(C)=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1OC 1164382 PVCPQWSSQNASEG-BOPFTXTBSA-N 439.480 5.519 10 50 IKCA COc1ccc2c(c1)S[C@@H](c1cc3c(cc1Cl)OCO3)CCN2Cc1cc[nH]n1 12150862 WROMWSCALBXHKE-HXUWFJFHSA-N 429.929 5.044 10 50 IKCA COc1cc(C)c(/C=C2\SC(=S)N(CCCc3ccccc3)C2=O)cc1C(C)C 2815202 LVWWLEFMWHFWLA-JCMHNJIXSA-N 425.619 5.961 10 50 IKCA O=C1/C(=C\c2ccc(OCc3ccccc3)cc2)SC(=S)N1c1ccc(Cl)cc1 2991882 ZMMVJIKNSWENAB-KGENOOAVSA-N 437.973 6.325 10 50 IKCA COc1ccccc1NC(=O)CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S 32694310 RTLXZCYIKNAANI-NBVRZTHBSA-N 446.619 5.157 10 50 IKCA Cc1cccc(NC(=O)CCCN2C(=O)/C(=C/c3ccccc3Cl)SC2=S)c1C 1180860 CFVBYKQYXDCOEA-UYRXBGFRSA-N 445.009 5.577 10 50 IKCA CC[C@H](C1=NN2C(=N)/C(=C\c3c(C)[nH]c4ccc(C)cc34)C(=O)N=C2S1)c1ccccc1 16265716 DAWADMWMKMKANI-HUTDIXDBSA-N 441.560 5.598 10 50 IKCA CN(C)c1ccc([C@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccccc4)=NN32)cc1 25559542 KBTPBDVRURBDLC-LADGPHEKSA-N 448.364 5.757 10 50 IKCA CCN1C(=O)/C(=C/c2cc(Cl)ccc2OCCOc2ccccc2OC)SC1=S 2993367 SWOCQYLCKAAMCY-UYRXBGFRSA-N 449.981 5.028 10 50 IKCA O=C(COC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1CN3C[C@@H]1CC=C[C@H]21)c1ccc(Cl)cc1 713141 WKHHQLYYQNVCOK-VVIORFSUSA-N 445.946 5.533 10 50 IKCA Oc1c(-c2ccc(I)cc2)c2nc3ccccc3nc2c2ccccc12 8434799 JHHFVGNTWDIUKC-UHFFFAOYSA-N 448.263 5.913 10 50 IKCA COc1ccc(O)c(CN2CC[C@H](c3ccccc3F)Sc3cc(OC)ccc32)c1 14880180 DDYQRKBERCVVGU-HSZRJFAPSA-N 425.525 5.792 10 50 IKCA CCOc1cc(/C=C2\SC(=S)NC2=O)ccc1OCc1c(Cl)cccc1Cl 15932146 YWYKORKQJNKGSP-MFOYZWKCSA-N 440.373 5.460 10 50 IKCA Nc1ccc(Oc2ccc3nc(-c4ccc([N+](=O)[O-])cc4)c(-c4ccccc4)nc3c2)cc1 2839597 WSGZAWGRKGZPLA-UHFFFAOYSA-N 434.455 6.247 10 50 IKCA CC(=O)Oc1c(-c2ccc(Br)cc2)c2nc3ccccc3nc2c2ccccc12 12379979 NKIYYOVFMXYALU-UHFFFAOYSA-N 443.300 6.291 10 50 IKCA Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@H]2NC(=O)c1ccnc2ccccc12 2325873618 NHKHSLIMPXHECH-HSZRJFAPSA-N 449.476 6.160 10 50 IKCA C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)SC1=S 12383804 OJTQHEBLBKOMMM-ZXOFLVKFSA-N 425.962 6.562 10 50 IKCA CCC(=C\c1sc2ccc(OC)cc2[n+]1C)/C=C1/Sc2ccc(OC)cc2N1C 146056028 CNFIUNSPCXRCPW-UHFFFAOYSA-N 425.599 5.620 10 50 IKCA Cc1ccc(C2=NN3C(=N)/C(=C/c4ccc(-c5ccc(Cl)cc5)o4)C(=O)N=C3S2)cc1 8493092 FRGFXGGFCSYFCZ-QDLOHUEYSA-N 446.919 5.576 10 50 IKCA Cn1c(/N=N/c2c(Nc3cccc4ccccc34)ccc3ccccc23)nc2ccccc21 3876970 QLSMUSMMEACDFW-QNEJGDQOSA-N 427.511 8.039 10 50 IKCA COc1ccc(O)c(CN(Cc2cccnc2)CC2CCN(Cc3ccccc3C)CC2)c1 12076568 DIFSSUQGIPDYDE-UHFFFAOYSA-N 445.607 5.019 10 50 IKCA Cc1cccc(C)c1OCCOc1ccc(Cl)cc1/C=C1\SC(=S)N(C)C1=O 22228841 DFDPOPFTPRRSON-PDGQHHTCSA-N 433.982 5.246 10 50 IKCA CCc1cc(C)cc(OCCn2cc(/C=C3/SC(=S)N(C)C3=O)c3ccccc32)c1 2954764 AJGPLRPMGSIKFZ-HYARGMPZSA-N 436.602 5.422 10 50 IKCA CCn1cc(CN2CC[C@H](c3ccc(F)cc3F)Sc3cc(OC)ccc32)c(C)n1 15000017 AYCCILZQGHIBGP-JOCHJYFZSA-N 429.536 5.742 10 50 IKCA CCOC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@H]1CN3[C@@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@@H]21 239038923 FDLIDSSHLDAKTN-PDLBJYQGSA-N 431.963 6.411 10 50 IKCA CCOc1ccccc1NC(=O)c1c(NCc2cccs2)sc2c1CCCCC2 2909672 MMRREUOQJGKJOO-UHFFFAOYSA-N 426.607 6.342 10 50 IKCA CC[C@@H](C)c1ccc(OCCCOc2cccc(/C=C3/SC(=S)N(C)C3=O)c2)cc1 2878272 UIXYOVBBJJPCGE-FIOICXDGSA-N 441.618 5.879 10 50 IKCA O=C(N[C@@H](c1ccccc1Cl)c1cc([N+](=O)[O-])c2cccnc2c1O)C1CCCCC1 16213894 HILDICTWZVGPGX-FQEVSTJZSA-N 439.899 5.288 10 50 IKCA Oc1c(Cl)cc(Cl)cc1[C@@H]1Nc2ccccc2C(c2ccccc2)(c2ccccc2)O1 12376053 QORKFCUJENAXDK-RUZDIDTESA-N 448.349 7.132 10 50 IKCA O=S(=O)(Nc1ccccc1F)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(F)cc1)N2 2879241 HEQWCUKWRYJVJE-YDIMBITNSA-N 438.499 5.592 10 50 IKCA COc1ccc2c(c1)c(=O)oc1c(C)c(OCc3ccc(Br)cc3)ccc12 1164969 DZGBYJZUMDIXBM-UHFFFAOYSA-N 425.278 5.605 10 50 IKCA CCOC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N3C[C@H]1CC=C[C@H]21 8935285 HIMBFNXQVZJWIJ-KRKXHZOKSA-N 442.515 5.666 10 50 IKCA O=C1/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC(=S)N1CCc1ccccc1 11617148 CRBYLYMBTMGTHZ-XSFVSMFZSA-N 436.514 5.299 10 50 IKCA CC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N3C[C@H]1CC=C[C@@H]21 239433300 XMOGORDPIWNJPL-PLNGWDEDSA-N 446.388 6.546 10 50 IKCA Cc1cc(C(=O)CSc2nnc3sc4ccccc4n23)c(C)n1-c1cccc(F)c1 628449 XKLQQJGURFBEJU-UHFFFAOYSA-N 436.537 5.466 10 50 IKCA Oc1c([C@H](Nc2ccccn2)c2ccccc2Br)cc(Cl)c2cccnc12 6457192 ZGPXGWJYXQSINJ-LJQANCHMSA-N 440.728 5.953 10 50 IKCA Cc1cccc(OCCCOc2ccc(Cl)cc2/C=C2/SC(=S)NC2=O)c1C 2874146 FXIWOVZMSXMOEF-XDHOZWIPSA-N 433.982 5.294 10 50 IKCA CC(C)=CC[C@]1(Cl)C(=O)c2c(O)cc(O)cc2C(=O)[C@@]1(O)CC1=C(C)CC(C)(C)CC1 2332924335 TYBKVNCIJNGZBZ-DQEYMECFSA-N 446.971 5.459 10 50 IKCA COc1cc(-c2c3c(nc4ccc5ccccc5c24)-c2ccccc2C3=O)ccc1OC(C)=O 2869492 BCNKTKXLYNFUBV-UHFFFAOYSA-N 445.474 6.200 10 50 IKCA O=C1/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)SC(=S)N1Cc1cccnc1 6456784 MRFFRXOIJOQUBC-NVMNQCDNSA-N 447.368 6.050 10 50 IKCA CCN1/C(=C\C=C2\SC(=S)N(c3ccccc3)C2=O)Sc2ccc3ccccc3c21 102133521 RHUFKOXKFGBNMI-OZNQKUEASA-N 446.622 6.562 10 50 IKCA O=C1N=C(N2C=CC(=C(O)c3ccccc3)C=C2)/C(=C/N=NC(=O)c2ccncc2)S1 334157341 DNBUJNIKIDDXGH-OMDQEHPVSA-N 429.461 5.093 10 50 IKCA Cc1ccc(CN2C(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)SC2=S)cc1 1164265 WWUIOVVLWLUYKE-NDENLUEZSA-N 436.514 5.565 10 50 IKCA Cc1cc(C(=O)N[C@@H](Cc2cc3ccccc3o2)C(=O)O)c(C)n1-c1cccc(C(C)C)c1 2325869210 CHNHWBHRLZFQOR-DEOSSOPVSA-N 444.531 5.389 10 50 IKCA COc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc(Cl)c1O 1123289 HOEHTUVWUFWSIG-MKMNVTDBSA-N 430.309 5.253 10 50 IKCA Cc1c(Sc2cc(C(C)C)c(O)c(CN(C)C)c2C)cc(C(C)C)c(O)c1CN(C)C 71769667 IZMBDGJMARSUPB-UHFFFAOYSA-N 444.685 6.236 10 50 IKCA COc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S 1136097 ZXOVKVFOSODJLQ-UNOMPAQXSA-N 438.486 5.269 10 50 IKCA CCc1ccc(N2N=C(C)/C(=C/c3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)C2=O)cc1 15659766 QLWAMXOJWOAAGL-UYRXBGFRSA-N 434.879 5.667 10 50 IKCA C[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)SC1=S 12383805 OJTQHEBLBKOMMM-GNUZOCDUSA-N 425.962 6.562 10 50 IKCA CCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cc(C)ccc2C)SC1=S 38206553 GDNSHFYGRPVIRN-PXLXIMEGSA-N 447.629 6.157 10 50 IKCA CCCCCN1C(=O)/C(=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)c2ccccc21 1808282 VCEAWZVQFRWFQY-HNENSFHCSA-N 442.993 5.653 10 50 IKCA Cc1ccc(C(C)C)c(OCCOc2ccc(/C=C3/SC(=S)N(C)C3=O)cc2)c1 2958976 VSDHYHXAPRPWRK-KGENOOAVSA-N 427.591 5.407 10 50 IKCA CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(-c2cc(C)c(C)cc2[N+](=O)[O-])o1 8856164 JLVJPTTYWLYEMW-XDHOZWIPSA-N 435.867 5.931 10 50 IKCA COCCCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S 13775250 RTLCXLBGPLCBIN-MHWRWJLKSA-N 428.362 5.491 10 50 IKCA C[C@H](Oc1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc1)c1ccccc1 16193309 CLRSSTQQYNXACC-AABCQZNVSA-N 435.545 6.372 10 50 IKCA Cc1ccc(Sc2cc(Nc3ccccc3)c3c4c(onc24)-c2ccccc2C3=O)cc1 100435937 MWJRSUGHTOQPCG-UHFFFAOYSA-N 434.520 7.242 10 50 IKCA O=C(O)c1cc2c3c(c1)[C@@H]1CC=C[C@@H]1[C@H](c1ccc(Br)cc1)N3C[C@H]1CC=C[C@H]21 247394036 LWUPMVGMGQEQBX-YBVJTHMASA-N 448.360 6.042 10 50 IKCA O=C(O)CCCCCN1C(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)SC1=S 1805117 QKGYQYGCEPXQGO-SFQUDFHCSA-N 435.954 5.446 10 50 IKCA CC(C)(C)c1ccc(OCCCOc2ccccc2/C=C2/SC(=S)NC2=O)cc1 15857087 UNJBYDXKBMELBO-HMMYKYKNSA-N 427.591 5.321 10 50 IKCA Cc1cc(F)ccc1-c1ccc(/N=N/c2cc(S(=O)(=O)O)c3ccccc3c2N)cn1 114817349 QOLHSSNEBRFIEQ-CYYJNZCTSA-N 436.468 5.594 10 50 IKCA O=C1c2ccccc2C(=O)c2c(NC(=O)[C@H](Sc3ccccc3)c3ccccc3)cccc21 8443785 RBPQWNGXGAXVKL-HHHXNRCGSA-N 449.531 5.934 10 50 IKCA COc1ccc([C@@H](Nc2cccc(C)n2)c2ccc3ccc(C)nc3c2O)c(OC)c1OC 18188422 PWOPJJWARHVWIL-QHCPKHFHSA-N 445.519 5.180 10 50 IKCA Cc1cc(C)c(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)c(C)c1 6767775 POFGNYWRLHJKKK-SFQUDFHCSA-N 430.620 5.293 10 50 IKCA Oc1ccc(Cl)cc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc4ccccc4c3)=NN12 25577460 PWGZGULYMMNJJP-BVAGGSTKSA-N 426.903 6.441 10 50 IKCA O=[N+]([O-])c1ccc(/N=N/C(Sc2nnc(-c3cccnc3)o2)=C(/O)c2ccccc2)cc1 101123536 SQJVYFPJKRITLV-DVMUUFOFSA-N 446.448 5.800 10 50 IKCA O=C(Nc1ccc(/N=N/c2ccccc2)cc1)c1sc2cc(Cl)ccc2c1Cl 13590945 KZHAEINZUXXFDZ-OCEACIFDSA-N 426.328 7.876 10 50 IKCA CC[C@H](C)c1ccc(OCCCOc2ccccc2/C=C2/SC(=S)NC2=O)cc1 22257463 KRWCCPMCYWOMBG-WASCAKKMSA-N 427.591 5.537 10 50 IKCA CCN(CC)c1ccc2c(c1)OC1=N[C@H](c3ccc(O)cc3)n3c(nc4ccccc43)C1=C2 9275520 HOJRTBOZQZXWRE-VWLOTQADSA-N 436.515 5.480 10 50 IKCA CCc1ccc(Oc2c(C(F)(F)F)oc3c(CN4CCCC4)c(O)ccc3c2=O)cc1 19793042 AXTZOWXYLTZLJT-UHFFFAOYSA-N 433.426 5.468 10 50 IKCA Cc1ccc(COc2ccccc2/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1 2852197 CFAUUHNKAOTTOR-HZHRSRAPSA-N 431.582 5.975 10 50 IKCA Cc1cc(CN(Cc2cc(C)cc(C(C)(C)C)c2O)CC(C)C)c(O)c(C(C)(C)C)c1 4686853 ZIQGZFCJRDPDKZ-UHFFFAOYSA-N 425.657 6.968 10 50 IKCA CCOc1ccccc1NC(=O)CCCN1C(=O)/C(=C/c2ccc(C)cc2)SC1=S 1180726 VOFREFLKTWCHCS-HKWRFOASSA-N 440.590 5.014 10 50 IKCA O=C(CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccc(F)cc1 2381796 UZUUYCUMKDIUOT-GHRIWEEISA-N 434.583 5.288 10 50 IKCA O=S(=O)(Nc1cc(Sc2ccccc2)c(O)c2ccccc12)c1ccc(F)cc1 2685361 ZLHHOVZCOQHSGX-UHFFFAOYSA-N 425.506 5.637 10 50 IKCA COc1ccc2c(c1)S[C@H](c1cc3c(cc1Cl)OCO3)CCN2Cc1cccnc1 12245735 MBAWEEDPUGLKCY-QFIPXVFZSA-N 440.952 5.716 10 50 IKCA O=c1c(-c2ccccc2Cl)c(C(F)(F)F)oc2c(CN3CCCCC3)c(O)ccc12 1747710 PZCDEBPCTKJHHP-UHFFFAOYSA-N 437.845 5.824 10 50 IKCA biogenic COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1OC 16192757 WTXYEFBSRWUPIZ-PXNMLYILSA-N 426.346 5.416 10 50 IKCA Cc1ccc(C2=NN3C(=N)/C(=C/c4ccc(-c5cccc(Cl)c5)o4)C(=O)N=C3S2)cc1 13893631 WFBYMYXMEOZAPM-QDLOHUEYSA-N 446.919 5.576 10 50 IKCA CCCCC1(Cc2ccccc2OC)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O 2365842 SDMPVERKAPDMJJ-UHFFFAOYSA-N 428.532 5.409 10 50 IKCA CC(C)(C)c1ccc(OCCCOc2ccc(/C=C3/SC(=S)NC3=O)cc2)cc1 2878470 ORUVGNNWNJYLIR-HMMYKYKNSA-N 427.591 5.321 10 50 IKCA O=C1/C(=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)SC(=S)N1c1ccccc1 9260841 FHMPMEWOSLVXNT-WOJGMQOQSA-N 442.905 5.914 10 50 IKCA O=C1/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(C(F)(F)F)=NN1c1ccccc1 16183234 JVGCBGLXGNDMCT-VBKFSLOCSA-N 427.338 5.203 10 50 IKCA CN(C)c1ccccc1NC(=O)c1cc(/N=N/c2ccc(Cl)cc2)c2ccccc2c1O 4048201 UJDHAJCLVKJAHE-ZQHSETAFSA-N 444.922 6.933 10 50 IKCA Cc1ccc(C)n1-c1ccc(Oc2cccc(Oc3ccc(-n4c(C)ccc4C)cc3)c2)cc1 1833563 ZZKUFQMDHIBXPI-UHFFFAOYSA-N 448.566 8.086 10 50 IKCA S=C(NNc1ccccc1)Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 2862336 KLLUZTYDJMVUAC-UHFFFAOYSA-N 447.567 6.277 10 50 IKCA COc1ccc(NC(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2ccc(Cl)cc2)N3)cc1 226849298 VSNYNWKZXCVVPL-OTNCWRBYSA-N 430.935 6.427 10 50 IKCA CN(C)c1ccc([C@@H]2Oc3c(Cl)cc(Cl)cc3[C@@H]3CC(c4ccccc4)=NN32)cc1 25578318 DDFODXNBWVAKQG-UPVQGACJSA-N 438.358 6.302 10 50 IKCA COc1ccccc1N1C(=O)/C(=C\c2cc(C)n(-c3ccc(C)cc3)c2C)C(O)=NC1=S 1287728 JWYBVWCRMPHTKY-ZHZULCJRSA-N 445.544 5.083 10 50 IKCA Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)C2=O)cc1 13549080 YJLVYFHWOZHAJA-GZTJUZNOSA-N 441.270 5.228 10 50 IKCA COc1ccc2c(c1)S[C@@H](c1cccc(F)c1)CCN2Cc1c(O)cccc1OC 12158703 NZILGZKIFBIYNO-HSZRJFAPSA-N 425.525 5.792 10 50 IKCA CC(C)=CC[C@]1(Cl)C(=O)c2c(O)cc(O)cc2C(=O)[C@]1(O)CC1=C(C)CC(C)(C)CC1 2332924337 TYBKVNCIJNGZBZ-LOSJGSFVSA-N 446.971 5.459 10 50 IKCA C[C@H](Oc1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1)c1ccccc1 2959098 NWAPFUHJSAIMPZ-RPNTZMPASA-N 431.582 6.228 10 50 IKCA CCN1C(=O)/C(=C/c2cc(Cl)cc(Cl)c2OCc2ccccc2F)SC1=S 2977397 HNMWNCWEMSPDTQ-PXNMLYILSA-N 442.364 5.933 10 50 IKCA COc1cccc(O)c1CN1CCC(C(=O)Nc2cccc(-c3cccc(F)c3)c2)CC1 12705919 HTVOPHQXUKZXCS-UHFFFAOYSA-N 434.511 5.058 10 50 IKCA COc1ccc(N2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])N=C2c2ccc(Cl)cc2)cc1 2978510 QTQVLRJJQJARAP-XSFVSMFZSA-N 433.851 5.091 10 50 IKCA CCN(CC)Cc1cc(Nc2c3ccc(Cl)cc3nc3ccc(OC)cc23)ccc1O 4366191 GICKTUQFXCPPNY-UHFFFAOYSA-N 435.955 6.341 10 50 IKCA Cc1ccccc1COc1ccccc1/C=C1/SC(=S)N(Cc2ccccc2)C1=O 2844109 PQXCMCKDZHUMSE-HZHRSRAPSA-N 431.582 5.975 10 50 IKCA CCO/C(C)=C1\C(=O)N(c2nc3ccccc3s2)N=C1CSc1ccc(Cl)cc1 9056774 OWUYDHSTYUUEKG-UYRXBGFRSA-N 443.981 5.755 10 50 IKCA O=C1N=C(N2CCC(Cc3ccccc3)CC2)S/C1=C/c1cn[nH]c1-c1ccccc1 12507978 SLWXFCRSCZNISO-CJLVFECKSA-N 428.561 5.002 10 50 IKCA aggregator CCSc1nnc2c(n1)O[C@H](c1ccc(N(CC)CC)cc1OC)Nc1ccccc1-2 2977464 JQYPHNORTUERJZ-OAQYLSRUSA-N 437.569 5.009 10 50 IKCA Cc1ccccc1C1=NN2C(=N)/C(=C/c3ccc(-c4ccc(F)cc4)o3)C(=O)N=C2S1 15837875 FAAVPBCAWNDDOG-QDLOHUEYSA-N 430.464 5.062 10 50 IKCA CCN(CC)c1ccc(/C=C(/NC(=O)c2cccc(C)c2)C(=O)Nc2ccc(C)cc2)cc1 16156310 VIKXKYSHVVZEJE-LGUFXXKBSA-N 441.575 5.559 10 50 IKCA C[C@H]1CN(C2=NC(=O)/C(=C\c3ccc(-c4cccc(C(F)(F)F)c4)o3)S2)C[C@H](C)O1 15799322 UXLCMHBQTNGESC-ZASVFINYSA-N 436.455 5.045 10 50 IKCA CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC1=S 2533054 WXVZSMQFGQBMDE-PDGQHHTCSA-N 425.966 5.414 10 50 IKCA CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CC)C2=O)cc1 33340198 QNEWSFZUVBCWBJ-XSFVSMFZSA-N 435.574 5.159 10 50 IKCA Cc1cc(C(=O)NS(=O)(=O)c2cccc3ccccc23)c(C)n1-c1cccc(Cl)c1 1875345049 UCRBLORCJOUSIJ-UHFFFAOYSA-N 438.936 5.019 10 50 IKCA CC(C)(C)c1ccc(C(=O)N2CCN(c3ccc(OCc4ccccc4)cc3)CC2)cc1 648246 HBZSLHPDDXGNRA-UHFFFAOYSA-N 428.576 5.526 10 50 IKCA CN(C)Cc1c(O)ccc2c(=O)c(Oc3ccc4ccccc4c3)c(C(F)(F)F)oc12 947508 ZLDPDHWNKCMIBH-UHFFFAOYSA-N 429.394 5.525 10 50 IKCA biogenic CC[C@H](C)c1ccccc1OCCn1cc(/C=C2/SC(=S)NC2=O)c2ccccc21 15746798 NFNRIUJBBWORJR-SITPEIFSSA-N 436.602 5.723 10 50 IKCA CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)cc1 1167398 PQHGCRDZHDHMQE-MOSHPQCFSA-N 428.941 5.105 10 50 IKCA CN(C)c1ccc([C@@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccccc4)=NN32)cc1 25559537 KBTPBDVRURBDLC-UPVQGACJSA-N 448.364 5.757 10 50 IKCA CCCC[C@H](CC)CN1C(=O)/C(=C2/C(=O)N(CCCC)c3ccccc32)SC1=S 1798130 FPIKCQRYNPQHBA-JVMRMLDLSA-N 430.639 5.621 10 50 IKCA CN(C)c1ccc(-c2nc3ccccc3n2-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 9779408 ANZMBQONUSMDFY-UHFFFAOYSA-N 441.619 7.059 10 50 IKCA CC(C)COc1ccc(C2=N/C(=C/c3ccc4c(c3)OCO4)C(=O)N2c2ccccc2)cc1 674494 GDFINKGIRIISAS-OEAKJJBVSA-N 440.499 5.285 10 50 IKCA O=C1N=C(N2C=CC(=C(O)c3ccccc3)C=C2)C(=CN=NC(=O)c2ccccc2)S1 1857524795 XBLVSXCXXQVUGK-UHFFFAOYSA-N 428.473 5.698 10 50 IKCA CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1cccc2ccccc12 756589 CNXUAVONRXYIJZ-ULJHMMPZSA-N 427.500 5.506 10 50 IKCA COc1cccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(N(C)C)cc2)c1 25581946 MJNBPQFGXZARHX-ILBGXUMGSA-N 433.939 5.657 10 50 IKCA COc1ccc(C(=O)N[C@H](c2ccccc2OC)c2cc(Cl)c3cccnc3c2O)cc1 20755888 BONUUJAVGIBKMT-JOCHJYFZSA-N 448.906 5.130 10 50 IKCA biogenic CCCCOP(=O)(OCCCC)[C@@H](Nc1ccc(C(=O)O)cc1)c1ccccc1O 3878673 ZQUZYLDEHVQWQB-OAQYLSRUSA-N 435.457 6.028 10 50 IKCA O=C1/C(=C\c2ccc(Cl)cc2Cl)SC(=S)N1c1ccc(Br)cc1 33345971 NLADSJLRXSKLPG-VGOFMYFVSA-N 445.190 6.162 10 50 IKCA CN(C)Cc1c(O)ccc2c(=O)c(-c3ccc(Cl)cc3Cl)c(C(F)(F)F)oc12 944289 GHOHWHCXCLPJEI-UHFFFAOYSA-N 432.225 5.553 10 50 IKCA O=C(O)c1cc(-c2ccc(/C=C3/SC(=S)N(C4CCCCC4)C3=O)o2)ccc1Cl 2989900 JIDGMEIDOSXHDA-WOJGMQOQSA-N 447.965 5.832 10 50 IKCA Cc1cc(OCCCOc2ccccc2/C=C2/SC(=S)N(C)C2=O)ccc1Cl 2873982 ZPBAUUPNAKYFHZ-CPNJWEJPSA-N 433.982 5.327 10 50 IKCA O=C1C(=Cc2cccc(Br)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 1513840 ZRRPIVSNIHYNMV-UHFFFAOYSA-N 447.288 5.033 10 50 IKCA CC[C@H](C)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)SC1=S 2367712 RXTNFGXKMQIACF-HYTQYMIGSA-N 437.565 5.678 10 50 IKCA COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)SC2=S)cc1 13096272 LWBURZOPYYXGCJ-XDHOZWIPSA-N 438.486 5.269 10 50 IKCA Cc1cc(OCCn2cc(/C=C3\SC(=S)N(C)C3=O)c3ccccc32)ccc1Cl 15800507 UTUHWJQHYQPZOC-NDENLUEZSA-N 442.993 5.513 10 50 IKCA COc1ccc(O)c(CN2CCC[C@@H](c3[nH]ncc3-c3cccc(C(F)(F)F)c3)C2)c1 14997527 NLIGNKKAIYPFNJ-MRXNPFEDSA-N 431.458 5.189 10 50 IKCA Cc1cc(/C=C2\SC(=S)N(CCCc3ccccc3)C2=O)c(C)n1-c1cccnc1 9296081 NEOZWYJXFJHYJO-JCMHNJIXSA-N 433.602 5.323 10 50 IKCA O=C1/C(=C2\SC(=S)N(c3ccccc3)C2=O)c2ccccc2N1Cc1ccccc1 1090140 JDNGZTJJQHIPFB-MRCUWXFGSA-N 428.538 5.009 10 50 IKCA COc1ccc2c(c1)S[C@H](c1cccc(F)c1)CCN2Cc1cccc2nccnc12 12159109 YUKCUPPAPAJJGJ-QHCPKHFHSA-N 431.536 6.021 10 50 IKCA