smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features OCC1(Cc2ccccc2Cl)CCN(Cc2cc(Cl)ccc2O)CC1 12210667 ZZTVGDBNQOPIHQ-UHFFFAOYSA-N 380.315 4.516 10 50 GJCA CC(C)CN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S 1112882 PZQFQBWXPZTULK-SXGWCWSVSA-N 388.470 4.712 10 50 GJCA COc1cccc(O)c1CN1CCC[C@@H](c2n[nH]cc2-c2ccc(Cl)cc2)C1 43083237 NEZNQPFRNYFALO-MRXNPFEDSA-N 397.906 4.824 10 50 GJCA CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)/C1=C/c1ccc(N(C)C)cc1 4798064 QGWRXIYOCKWCNF-CPNJWEJPSA-N 388.496 4.682 10 50 GJCA O=C1N=C(Nc2ccc(F)cc2)S/C1=C/c1cccc(Br)c1 1218338 KEIBGFUTCLVTCK-NTEUORMPSA-N 377.238 4.671 10 50 GJCA CCC(=S)/C=C1\Sc2ccc3ccccc3c2N1CCCS(=O)(=O)O 3082364 YZQXOUNUSPZCHV-ATVHPVEESA-N 393.555 4.651 10 50 GJCA Cc1ccccc1NC(=O)c1c(C)oc2ccc(O)c(CN3CCCCC3)c12 5182505 GGXTXJAHVGHBHF-UHFFFAOYSA-N 378.472 4.993 10 50 GJCA Oc1c(O)c(Br)c2cc(Br)ccc2c1Br 640475 VCRHHGUTGYCZRI-UHFFFAOYSA-N 396.860 4.539 10 50 GJCA C[C@@H](c1ccccc1)N1C(=O)/C(=C/C2=Cc3ccccc3OC2)SC1=S 1146994 FGEPKZAIDKJYQO-YQNUULROSA-N 379.506 4.968 10 50 GJCA COc1ccccc1[C@@H](NC(=O)C1CCCCC1)c1ccc2cccnc2c1O 869245 IYNFWIUVRYBAEN-JOCHJYFZSA-N 390.483 4.735 10 50 GJCA COc1ccc(COc2ccc3c(oc(=O)c4cc(OC)ccc43)c2C)cc1 1183828 QBBFEXCVSFFBAZ-UHFFFAOYSA-N 376.408 4.851 10 50 GJCA biogenic CCN(CC)c1ccc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)cc1 15011658 TVVGIGBBMVVMSQ-XMHGGMMESA-N 398.553 4.947 10 50 GJCA COc1ccccc1/C=C1\SC(=S)N(CNc2cc(C)ccc2C)C1=O 334160458 FDIGEAIZGRFSQJ-WQRHYEAKSA-N 384.526 4.583 10 50 GJCA CCN(CC)c1ccc([C@H](NC(=O)C(C)C)c2ccc3cccnc3c2O)cc1 869242 QMGIYQLIQGUDJE-NRFANRHFSA-N 391.515 4.648 10 50 GJCA COc1ccc(-c2cc(=O)oc3c(C)c(O)c(CN4CCC[C@@H](C)C4)cc23)cc1 2149997 CVHTWKYCYKUURC-OAHLLOKOSA-N 393.483 4.715 10 50 GJCA biogenic COc1ccc(O)c(CN2CCC[C@H](C(=O)c3cccc4ccccc34)C2)c1 14960970 AQHODXBYWAIHNS-SFHVURJKSA-N 375.468 4.649 10 50 GJCA COc1ccccc1/C=C1/SC(=S)N(CNc2ccccc2Cl)C1=O 1194606 UQCRTWVWYDXOJH-MHWRWJLKSA-N 390.917 4.619 10 50 GJCA C[C@H]1CCCN(C2=NC(=O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)S2)C1 4949509 RJKQSDZKHOSBER-FHXOWUIVSA-N 397.456 4.557 10 50 GJCA CC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc2c(c1)OCO2 100487700 QEWKGRPFDBMZDM-AWNIVKPZSA-N 375.211 4.528 10 50 GJCA CCCC(=O)N[C@@H](c1ccccc1OC)c1cc(Cl)c2cccnc2c1O 801080 AKOYFLRLPAVVCZ-IBGZPJMESA-N 384.863 4.608 10 50 GJCA CCc1ccc(N2C(=O)N=C(O)/C(=C/c3c(C)[nH]c4ccc(C)cc34)C2=O)cc1 20119392 UFJHTTSXGRIGMW-UNOMPAQXSA-N 387.439 4.854 10 50 GJCA CCOC(=O)c1sc2nc(C)c(C(C)=O)c(/C=C/c3ccccc3)c2c1N 951723419 BJKVVWMLKAPMLY-ZHACJKMWSA-N 380.469 4.737 10 50 GJCA COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(C(=O)O)cc1)N2 111478306 OXEWPAVNHQWPFP-QWQRMKEZSA-N 383.831 4.651 10 50 GJCA CNC(=S)Nc1ccc(OCCN2c3ccccc3Oc3ccccc32)cc1 72317724 IEFRKIYTMPORCY-UHFFFAOYSA-N 391.496 4.926 10 50 GJCA Oc1ccc(-c2cccnc2)cc1CN1CCC(O)(c2ccc(Cl)cc2)CC1 11786226 HKSPMOWJTKERQM-UHFFFAOYSA-N 394.902 4.591 10 50 GJCA CCOc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccc(OC)cc2)cc1 4616918 RHYHHKVCAIAUHO-QJOMJCCJSA-N 398.462 4.928 10 50 GJCA Cn1cc(C(c2ccc(O)c(O)c2O)c2cn(C)c3ccccc23)c2ccccc21 4978733 RLFIKCNKNUIQIE-UHFFFAOYSA-N 398.462 4.967 10 50 GJCA COc1ccc(N2CCN(c3ccc(OC)cc3)C2c2ccccc2OC)cc1 847793 XCPZYCWQFHSPJC-UHFFFAOYSA-N 390.483 4.738 10 50 GJCA O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)N=C(c2ccccc2)N1c1ccc(F)cc1 1213398 FEQPXAJKFSWCLY-XSFVSMFZSA-N 387.370 4.568 10 50 GJCA CCCC(=O)N[C@@H](/C=C/c1ccccc1)c1cc([N+](=O)[O-])c2cccnc2c1O 3000159 DQLDOCNVNZDYAT-DXRVJIQQSA-N 391.427 4.519 10 50 GJCA COc1ccc(Cl)cc1NC(=O)c1ccc(C(=O)C(=O)c2ccccc2)cc1 1781789 ISZBXSRPLGLSCA-UHFFFAOYSA-N 393.826 4.667 10 50 GJCA COc1cc(I)cc(CNc2ccc(C(C)C)cc2)c1O 2544782 PSFHTYYDJYEZBJ-UHFFFAOYSA-N 397.256 4.741 10 50 GJCA N=C1/C(=C\c2cccs2)C(=O)N=C2SC(C34CC5CC(CC(C5)C3)C4)=NN12 4648751 YBRWLTMNYINFHA-QYWZJITKSA-N 396.541 4.584 10 50 GJCA Cc1oc2c(c1C(=O)c1ccc(Br)cc1)C(=O)C(=O)c1ccccc1-2 2896456 WEFVGUKZSRKNIE-UHFFFAOYSA-N 395.208 4.628 10 50 GJCA CCN(CC)c1ccc(N2C(=O)/C(=C/c3cccc(O)c3)SC2=S)cc1 1236386 IVSSWTLOEAZUQM-AQTBWJFISA-N 384.526 4.644 10 50 GJCA O=C1/C(=C\c2ccc3c(c2)OCO3)SC(=S)N1c1ccc(F)c(Cl)c1 2768684 QPMHSWBHCZSLAV-GIDUJCDVSA-N 393.848 4.614 10 50 GJCA CCN1/C(=C2/SC(=S)N(Cc3ccccc3)C2=O)Sc2ccccc21 33382363 AUZKBEXHRJJNNK-VLGSPTGOSA-N 384.551 4.848 10 50 GJCA CCN1C(=O)/C(=C\c2cn(Cc3ccccc3)c3ccccc23)SC1=S 5090880 XKXHDDBOUNMRKJ-XDHOZWIPSA-N 378.522 4.911 10 50 GJCA COc1ccc(/C=C2/C(=O)N(c3ccc(C)c(C)c3)N=C2C)cc1Br 1205837 FTUUVALTDHGLDC-LICLKQGHSA-N 399.288 4.881 10 50 GJCA COc1ccc(OC)c(-c2ccc(O)c(CN(C)[C@H](C)c3nccs3)c2)c1 64152562 ZMMLXWVOFLDYEP-CQSZACIVSA-N 384.501 4.726 10 50 GJCA COc1ccc(CCN(C)Cc2cc(-c3ccc(F)cc3)ccc2O)cc1OC 299790347 CEJWSCGLKFUFMU-UHFFFAOYSA-N 395.474 4.890 10 50 GJCA COc1cccc(C=C2SC(=S)N(c3ccc(Cl)cc3)C2=O)c1OC 1857666843 PPEXWJYLTAIMEU-UHFFFAOYSA-N 391.901 4.763 10 50 GJCA COc1cc(/C=C2/C=C(c3cccc4ccccc34)OC2=O)cc(OC)c1OC 19894544 ONCUTYCCAJRVLX-BOPFTXTBSA-N 388.419 4.847 10 50 GJCA Cc1cc(C(=O)N[C@H]2CCC[C@H](C(=O)O)CC2)c(C)n1-c1cccc(C(C)C)c1 1875354080 QIURJNOBQCOOSS-ICSRJNTNSA-N 396.531 4.981 10 50 GJCA CCOc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCc1ccccc1C 1181145 LUYKIBGZBVLGES-XDHOZWIPSA-N 399.537 4.804 10 50 GJCA COc1ccc(N2CCN(Cc3csc(-c4ccccc4Cl)n3)CC2)cc1 55060377 YDYPQAJDTLCMLY-UHFFFAOYSA-N 399.947 4.794 10 50 GJCA COc1ccc(-c2ccc(C(=S)N3CCN(c4cccc(C)c4)CC3)o2)cc1 2847246 DIRHVHUBTSYBMR-UHFFFAOYSA-N 392.524 4.761 10 50 GJCA Cc1cccc(C)c1OCCOc1ccccc1/C=C1\SC(=S)N(C)C1=O 22229228 VBGMBQIMLVCWSU-AQTBWJFISA-N 399.537 4.592 10 50 GJCA Cc1cc(C(=O)N[C@@H]2CCC[C@H](C(=O)O)CC2)c(C)n1-c1cccc(C(C)C)c1 1875354079 QIURJNOBQCOOSS-AZUAARDMSA-N 396.531 4.981 10 50 GJCA CCOC(=O)c1cc(CC)sc1N/C=C1/C(=O)N(c2ccc(C)cc2)N=C1C 100209359 VAUDIEHNDDTBHO-LDADJPATSA-N 397.500 4.514 10 50 GJCA COc1ccc([C@H](Nc2cc(C)ccn2)c2ccc3cccnc3c2O)cc1O 15016434 FCTHDIWMHUZDNV-NRFANRHFSA-N 387.439 4.560 10 50 GJCA CCN(CC)c1ccc([C@@H](NC(=O)C(C)C)c2ccc3cccnc3c2O)cc1 869243 QMGIYQLIQGUDJE-OAQYLSRUSA-N 391.515 4.648 10 50 GJCA O=C(c1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@H]21)N1CCCC1 4132260 WLAHXIMORDOAIS-BBTUJRGHSA-N 389.455 4.657 10 50 GJCA O=C1c2ccccc2-c2onc3c(N4CCOCC4)cc(Nc4ccccc4)c1c23 100430237 KEULLWOZQZCLGL-UHFFFAOYSA-N 397.434 4.619 10 50 GJCA O=C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)OCc1ccccc1 941174 YARKCZSWXYZKPJ-UHFFFAOYSA-N 386.403 4.582 10 50 GJCA biogenic Cc1cc2c(n1-c1ccc(I)cc1)CC(C)(C)CC2=O 1112482 YLRQKEYJLJEVCK-UHFFFAOYSA-N 379.241 4.545 10 50 GJCA CC[C@H](C)N1C(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S 1480071 XSIKBOMHNMQCFX-OKHBPPCESA-N 388.470 4.855 10 50 GJCA Cc1ccc(OCCOc2cccc(/C=C3/SC(=S)N(C)C3=O)c2)cc1C 2958553 VLTWDUJKWLEMNF-CPNJWEJPSA-N 399.537 4.592 10 50 GJCA CCCCC(=O)N[C@H](c1ccc(OC)c(OC)c1)c1c(O)ccc2ccccc12 2870341 BKSDMVNJYNJHPO-XMMPIXPASA-N 393.483 4.958 10 50 GJCA Cc1ccc(C)c(OCCOc2ccccc2/C=C2\SC(=S)N(C)C2=O)c1 22228880 AUWLZQTWWLINSP-UYRXBGFRSA-N 399.537 4.592 10 50 GJCA CC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@H]1CN3[C@@H](c1ccc(F)cc1)[C@H]1CC=C[C@@H]21 239402677 QZEVZHPZXRMEDG-PDLBJYQGSA-N 385.482 5.923 10 50 GJCA C[C@@H]1CCCN(C2=NC(=O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)S2)C1 4949508 RJKQSDZKHOSBER-VBEHJTROSA-N 397.456 4.557 10 50 GJCA CC(C)Oc1ccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 4079548 JLVYLKHXIFLRKD-UHFFFAOYSA-N 385.419 4.502 10 50 GJCA O=C1/C(=C/c2ccc(N3CCCC3)cc2)SC(=S)N1CCc1ccccc1 1128311 IHNQMOFSUHDHFU-SILNSSARSA-N 394.565 4.731 10 50 GJCA COc1ccc(-n2cnc3cc(NCc4ccc(OC)c(OC)c4)ccc32)cc1 1250392 FLPMDKMKNCSOHN-UHFFFAOYSA-N 389.455 4.663 10 50 GJCA CC[C@@H](C)N1C(=O)/C(=C/c2cc(C)n(-c3ccc(C)cc3)c2C)C(O)=NC1=S 1127807 NTUUOWUQNNUIOZ-ONDHQXCVSA-N 395.528 4.668 10 50 GJCA Cc1ccc2ccc([C@@H](Nc3ccccn3)c3cccc([N+](=O)[O-])c3)c(O)c2n1 4755287 HXCJXMCLDZTEQI-FQEVSTJZSA-N 386.411 4.754 10 50 GJCA Cc1ccnc(N[C@H](c2ccc3c(c2)OCO3)c2ccc3cccnc3c2O)c1 15015680 QDORQCOMNULDDO-OAQYLSRUSA-N 385.423 4.574 10 50 GJCA Oc1ccc(-c2ncccn2)cc1CN[C@H](Cc1ccccc1)c1ccccc1 19838939 NTXKWEDUOAUOQO-HSZRJFAPSA-N 381.479 4.923 10 50 GJCA CCOc1ccc2ccc(OCC)c(/C=C3\SC(=S)N(CC)C3=O)c2c1 1163236 HFSNDQXCNQGLEM-PDGQHHTCSA-N 387.526 4.858 10 50 GJCA Cc1nc2n(n1)[C@@H](c1ccccc1C(F)(F)F)C=C(c1ccc(N(C)C)cc1)N2 100716772 OOEWRLLCDZRZSH-LJQANCHMSA-N 399.420 4.727 10 50 GJCA O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)C=C(c2ccccc2)N1c1ccc(O)cc1 5073018 GQDXXWHROQBAHL-NBVRZTHBSA-N 384.391 4.772 10 50 GJCA aggregator CCOC(=O)c1c(N/C=C2/C(=O)N(c3ccc(C)cc3)N=C2C)sc(C)c1C 100517996 VLQHTJCBTWNDRH-GZTJUZNOSA-N 397.500 4.569 10 50 GJCA CCCCN1C(=O)/C(=C/c2ccc(OCCC)c(OCC)c2)SC1=S 2811660 XIBMVQNYMXVMEQ-LGMDPLHJSA-N 379.547 4.875 10 50 GJCA CCOc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCc1cccc(C)c1 1181390 RQCOOQGKTBRYAD-XDHOZWIPSA-N 399.537 4.804 10 50 GJCA CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(Cl)c(Cl)c1 13602909 WIGOLPLZGNTLSY-ZSOIEALJSA-N 382.287 4.712 10 50 GJCA CCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)SC1=S 4819344 HWLVJGKTDROHEI-RIYZIHGNSA-N 393.873 4.519 10 50 GJCA O=C1/C(=C\c2ccc(O)c(O)c2)SC(=S)N1c1cccc2ccccc12 4524123 ORSOHWRZZUIVFE-WOJGMQOQSA-N 379.462 4.657 10 50 GJCA O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2)N1CCCC1 169697255 JXOIIPFRFQUXMS-WOIUINJBSA-N 389.455 4.657 10 50 GJCA O=C1/C(=C\c2cc([N+](=O)[O-])ccc2Cl)SC(=S)N1Cc1ccccc1 15769450 ZINMHTPBJNZXPT-OQLLNIDSSA-N 390.873 4.650 10 50 GJCA Cc1cc(C)cc(OCCCOc2cccc(/C=C3/SC(=S)NC3=O)c2)c1 2874092 NDBMPQKQRNIQJJ-CPNJWEJPSA-N 399.537 4.640 10 50 GJCA O=C(O)[C@H](Cc1c[nH]c2ccccc12)Nc1c2ccccc2nc2ccccc12 4073791 KLTRUWFOTALXPO-QFIPXVFZSA-N 381.435 4.977 10 50 GJCA biogenic Cc1cccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)n1 1156219 NAOYJGDVIZLJLJ-NTEUORMPSA-N 380.416 4.815 10 50 GJCA CCN(CC)c1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)c(O)c1 15011666 PTDFZLDAGLMJCC-XDHOZWIPSA-N 398.553 4.640 10 50 GJCA O=C(O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N3C[C@H]1CC=C[C@H]21 239274961 AZRBPQNKAPCMOS-YBVJTHMASA-N 387.454 5.418 10 50 GJCA CC(=O)COC(=O)c1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 4525892 AMILYDPVXUZQPA-UHFFFAOYSA-N 380.403 4.835 10 50 GJCA COc1ccc(C2=C/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=O)O2)cc1 1060921 VMKQLZUQVMYYDU-VBKFSLOCSA-N 389.363 4.845 10 50 GJCA COc1ccc(O)c(CN2CCC[C@@H](C(=O)c3cccc4ccccc34)C2)c1 14960965 AQHODXBYWAIHNS-GOSISDBHSA-N 375.468 4.649 10 50 GJCA Oc1ccc(C2=NN(c3cccc(Cl)c3)[C@@H](c3ccc(O)c(F)c3)C2)c(O)c1 299833666 VNOPTNCUEVRKCG-LJQANCHMSA-N 398.821 4.952 10 50 GJCA O=C1C[C@H](c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)CN1Cc1cccnc1 19145251 DRAMROYGKORHCT-NRFANRHFSA-N 394.478 4.655 10 50 GJCA CN(C)c1ccc(/C=C2/N=C(c3sc4ccccc4c3Cl)OC2=O)cc1 2981818 MINBQLIUBMUSNJ-RVDMUPIBSA-N 382.872 4.965 10 50 GJCA C[C@H](COc1ccccc1)COc1ccccc1/C=C1/SC(=S)N(C)C1=O 1181495 KHELLLLIXXNPNH-IYSPOMMRSA-N 399.537 4.612 10 50 GJCA Cc1ccc(OCCCOc2ccccc2/C=C2/SC(=S)NC2=O)c(C)c1 2882700 MVISVFYPWJLCKM-CPNJWEJPSA-N 399.537 4.640 10 50 GJCA COc1ccc(-c2cc(=O)oc3cc(OC(=O)c4ccco4)c(Cl)cc23)cc1 1154971 IQASDUKWAJGWGU-UHFFFAOYSA-N 396.782 4.934 10 50 GJCA COc1ccc(-c2cc(=O)oc3c(C)c(OC(=O)c4ccco4)ccc23)cc1 1143403 RBKPXFCYZYWLHF-UHFFFAOYSA-N 376.364 4.589 10 50 GJCA biogenic CCCCN1C(=O)/C(=C\C=C\C=C\N(C(C)=O)c2ccccc2)SC1=S 4499326 AVGNOKJNQONDNL-BWIWXMGNSA-N 386.542 4.654 10 50 GJCA COc1ccccc1N1C(=O)/C(=C\c2c(F)cccc2Cl)SC1=S 6007462 LTMQQUCAQXDBHG-OQLLNIDSSA-N 379.865 4.894 10 50 GJCA O=C(Oc1ccccc1)c1cc2c3c(c1O)[C@@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@H]21 4045277 PPHLXSUAQQATPK-ZAWLATJESA-N 385.463 4.764 10 50 GJCA CC(C)(C)[C@]12C(=O)C(=O)[C@]3(C(C)(C)C)[C@H]([C@@H]1C2(Cl)Cl)C3(Cl)Cl 229885804 ANVKBIDRBUAYNI-WKYFLPQNSA-N 386.146 4.811 10 50 GJCA O=C1/C(=C/C2=Cc3ccccc3OC2)SC(=S)N1Cc1ccc(F)cc1 2533553 CWSILSUGWFZSGL-ZDLGFXPLSA-N 383.469 4.546 10 50 GJCA Oc1ccc(-c2ncccn2)cc1CN[C@@H](Cc1ccccc1)c1ccccc1 19838937 NTXKWEDUOAUOQO-QHCPKHFHSA-N 381.479 4.923 10 50 GJCA CC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cccc([N+](=O)[O-])c1 100147849 VXUHNUSAQAZSMP-RIYZIHGNSA-N 376.199 4.708 10 50 GJCA CC1=NN(c2ccccc2)C(=O)/C1=C\N(Cc1ccccc1)Cc1ccccc1 101347659 XRVRJLMJGNWZKP-CLCOLTQESA-N 381.479 4.995 10 50 GJCA O=C(Nc1nc2ccccc2s1)c1ccc(C(=O)C(=O)c2ccccc2)cc1 1770327 PJQATLZBOHVIBG-UHFFFAOYSA-N 386.432 4.614 10 50 GJCA CCN1/C(=C2/SC(=S)N(CCc3ccccc3)C2=O)C=Cc2ccccc21 2520673 ZALIHOWCSGNPMY-FMQUCBEESA-N 392.549 4.854 10 50 GJCA CCOc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1O 12562048 OEPPUGNPHNOIGT-SXGWCWSVSA-N 391.901 4.850 10 50 GJCA Cc1cccc(COc2ccc(Cl)cc2/C=C2/SC(=S)NC2=O)c1 1179985 INEDAYNQACDDNW-CXUHLZMHSA-N 375.902 4.716 10 50 GJCA COc1ccc(OC)c(C2=C/C(=C\c3c(OC)ccc4ccccc34)C(=O)O2)c1 4472062 IOBCJVGXRSFAKN-FOWTUZBSSA-N 388.419 4.847 10 50 GJCA COc1cccc(CN[C@@H]2CC(C)(C)Cc3c2cnn3-c2ccc(F)cc2)c1O 15065687 BYHJFTJFZQPUAY-LJQANCHMSA-N 395.478 4.529 10 50 GJCA Cc1ccccc1[C@@H]1CCN(C(=O)NCc2ccc(N3CCCCC3)cc2)C1 2325701886 CLRDFFXNOFPIGY-OAQYLSRUSA-N 377.532 4.684 10 50 GJCA Cc1ccc2ccc([C@H](Nc3ccccn3)c3ccc4c(c3)OCO4)c(O)c2n1 18190334 SLGDNPHLIHHAMH-OAQYLSRUSA-N 385.423 4.574 10 50 GJCA COc1ccc2c(c1)c(=O)oc1cc(OCC(=O)c3ccc(Cl)cc3)ccc12 1123730 LUEIHCMHZRPJSS-UHFFFAOYSA-N 394.810 4.870 10 50 GJCA CC1=NN(c2ccc3ccccc3c2)C(=O)/C1=C1/C(=O)Nc2ccc(Cl)cc21 15016632 RBEZJFFIBUFUQQ-FMQUCBEESA-N 387.826 4.622 10 50 GJCA O=C(CCc1ccccc1)N[C@H](c1cccs1)c1ccc2cccnc2c1O 801028 WFKOFHFTIBUSFS-QFIPXVFZSA-N 388.492 4.840 10 50 GJCA COc1ccc(C2=NN(C(=O)c3cccs3)[C@H](c3cccs3)C2)c(O)c1 241435216 NLTRIXADWRJWBJ-HNNXBMFYSA-N 384.482 4.515 10 50 GJCA CCOC(=O)c1sc2nc(-c3ccc(OC)cc3)cc(C(F)(F)F)c2c1N 1009917 LGNBTVFAKSIGIZ-UHFFFAOYSA-N 396.390 4.750 10 50 GJCA COC(=O)c1ccc(-n2c(CCC(=O)O)ccc2-c2ccc(Cl)cc2)cc1 1118328 ORGOVVHMIRRZFO-UHFFFAOYSA-N 383.831 4.602 10 50 GJCA CCOc1ccc(CC2(CC(=O)c3ccccc3)C(=O)c3ccccc3C2=O)cc1 1201967 SVLOVGOQOYIRKQ-UHFFFAOYSA-N 398.458 4.966 10 50 GJCA CCCCCCN1C(=O)/C(=C2/C(=O)N(CCC)c3ccccc32)SC1=S 2672928 MAOPDIRZQLSCOA-MSUUIHNZSA-N 388.558 4.595 10 50 GJCA Cn1cc(/C=C2/C(=O)N(c3ccccc3Cl)C(=S)N=C2O)c2ccccc21 1249107 WDSBTCIKRCVGIR-GXDHUFHOSA-N 395.871 4.503 10 50 GJCA O=[N+]([O-])c1ccc([C@@H]2Nc3c(O)cc(Cl)c([N+](=O)[O-])c3[C@@H]3C=CC[C@H]32)cc1 239235918 WZGYQFWANGEGHU-HSMVNMDESA-N 387.779 4.689 10 50 GJCA CCCC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(OC)c(OC)cc1Cl 15010985 KOFSYAUSJNHBDI-WJDWOHSUSA-N 384.863 4.944 10 50 GJCA CC(=O)Nc1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc1 1023076 VUJURDFWSXSPMK-CXUHLZMHSA-N 388.901 4.704 10 50 GJCA O=c1c(-c2ccccc2)c(C(F)(F)F)oc2c(CN3CCCC3)c(O)ccc12 19791536 JZDIJVJTSVUKFO-UHFFFAOYSA-N 389.373 4.780 10 50 GJCA biogenic CCCCOc1ccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 5092610 OEZKNUGCIXHULB-UHFFFAOYSA-N 399.446 4.893 10 50 GJCA O=C1/C(=C/c2ccccc2F)C(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1 100292238 LAVMWJBTRDLUBD-XMHGGMMESA-N 387.370 4.568 10 50 GJCA CCN(CC)c1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1 2677799 NEMODXIEZKXMLA-SILNSSARSA-N 396.581 4.977 10 50 GJCA CCOC(=O)[C@@H]1CCCN(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)C1 4987365 KKQJGFBCASOIAI-MRXNPFEDSA-N 375.553 4.762 10 50 GJCA Cc1ccc(CN2C(=O)/C(=C/C3=Cc4ccccc4OC3)SC2=S)cc1 6476337 GUEISZAAYPIEKR-ODLFYWEKSA-N 379.506 4.715 10 50 GJCA Cc1cnc(O)n1-c1ccc([C@@H](C)N[C@H](C)c2cc3c(cc2O)CCCC3)cc1 2325734841 XGPPHBLVXZFTNM-IAGOWNOFSA-N 391.515 4.883 10 50 GJCA COc1cc([C@@H](Nc2cc(C)ccn2)c2ccc3cccnc3c2O)ccc1O 19843022 HKVBLSRMZHSZFQ-OAQYLSRUSA-N 387.439 4.560 10 50 GJCA COc1ccc(O)c(CN2CCC[C@@H](c3n[nH]cc3-c3ccc(Cl)cc3)C2)c1 15001000 SACLPJPUKJJAOB-MRXNPFEDSA-N 397.906 4.824 10 50 GJCA CCOc1cc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)ccc1OC(C)=O 1105884 IOWYMLWKMULVQW-MHWRWJLKSA-N 384.815 4.645 10 50 GJCA Oc1ccc(-c2ccc3c(c2)OCO3)cc1CN1CCCC[C@@H]1c1cccnc1 23580634 FPDVLECASGUFRB-OAQYLSRUSA-N 388.467 4.910 10 50 GJCA CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccc(C)c([N+](=O)[O-])c2)o1 16116040 UWIGMOJDTMRMMG-UYRXBGFRSA-N 387.395 4.969 10 50 GJCA O=C(CCc1ccccc1)N[C@@H](c1cccs1)c1ccc2cccnc2c1O 801029 WFKOFHFTIBUSFS-JOCHJYFZSA-N 388.492 4.840 10 50 GJCA COc1ccccc1-c1coc2c(CN(C)C3CCCCC3)c(O)ccc2c1=O 19790399 STHFPZWEWMEHAF-UHFFFAOYSA-N 393.483 4.939 10 50 GJCA biogenic Cc1ccc(OCCOc2cccc(/C=C3\SC(=S)N(C)C3=O)c2)c(C)c1 22228989 HALXXJJIKCLUFS-UYRXBGFRSA-N 399.537 4.592 10 50 GJCA CCN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC1=S 5017649 BBTWWEAYMQBAIJ-RIYZIHGNSA-N 394.861 4.729 10 50 GJCA Cc1c(Cc2ccccc2)c(=O)oc2c(CN3CCC[C@H](C)C3)c(O)ccc12 1256337 BHJNDUBILNOCKM-INIZCTEOSA-N 377.484 4.630 10 50 GJCA COc1ccc(N(C)Cc2csc(-c3cccc(OC)c3OC)n2)cc1F 121776954 FFENQHRNMUBMSE-UHFFFAOYSA-N 388.464 4.611 10 50 GJCA O=C1OC(c2ccc(Cl)cc2)=C/C1=C\c1ccc(I)o1 4739031 ZYUCXGPJTNEBTA-JXMROGBWSA-N 398.583 4.519 10 50 GJCA CCOc1ccc(N2C(=O)/C(=C/c3ccc(N(C)C)cc3)SC2=S)cc1 1009679 DDYBRHBWQWKDJY-AQTBWJFISA-N 384.526 4.557 10 50 GJCA CCC(/C=C1/Sc2ccc(OC)cc2N1CC)=C1/SC(=S)N(C)C1=O 1317727 HCPCQDJNMAIKJV-VGJYFWKZSA-N 392.571 4.623 10 50 GJCA COc1ccc(OC)c(-c2ccc(O)c(CN(C)[C@@H](C)c3nccs3)c2)c1 64152560 ZMMLXWVOFLDYEP-AWEZNQCLSA-N 384.501 4.726 10 50 GJCA CCC(=O)N[C@H](c1ccc(Cl)cc1)c1cc(Cl)c2cccnc2c1O 869283 LINXHMFDDAUTFG-QGZVFWFLSA-N 375.255 4.863 10 50 GJCA CSc1c(C(=O)Nc2ccc(F)cc2)ccc2c1C(=O)c1ccccc1C2=O 4689416 VAQHGWRTKVMCII-UHFFFAOYSA-N 391.423 4.575 10 50 GJCA CCN1C(=O)/C(=C\c2ccccc2OCCCOc2ccccc2)SC1=S 4725624 XXYBBAARFGVNFT-XDJHFCHBSA-N 399.537 4.756 10 50 GJCA COc1ccc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)cc1OC 4836842 YFFUUXSGDJRMRK-FDIDITGRSA-N 385.510 4.666 10 50 GJCA COc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)ccc1OCc1ccccc1 1177412 LNOIJHDGGCWMDG-UNOMPAQXSA-N 399.537 4.884 10 50 GJCA C[C@H](c1ccccc1)N1C(=O)/C(=C/C2=Cc3ccccc3OC2)SC1=S 1146998 FGEPKZAIDKJYQO-VCRXTVNUSA-N 379.506 4.968 10 50 GJCA COc1ccc(-c2ccc(C(=S)N3CCN(c4ccc(C)cc4)CC3)o2)cc1 1153581 ZEHDKYJTSRAHQG-UHFFFAOYSA-N 392.524 4.761 10 50 GJCA Cc1ccc(N/C=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)cc1 4706810 YKUXWDNDGJYWIT-RCCKNPSSSA-N 398.422 4.650 10 50 GJCA CC(C)(C)C1(C)OC(=O)C(=Cc2ccccc2OCc2ccccc2F)C(=O)O1 2970410 WJFWEGYABLOZNC-UHFFFAOYSA-N 398.430 4.650 10 50 GJCA Cc1ccnc(N[C@@H](c2ccc(N(C)C)cc2)c2ccc3cccnc3c2O)c1 2470366 XFTMHNBUYOONGV-QFIPXVFZSA-N 384.483 4.911 10 50 GJCA O=C1/C(=C/c2c(F)cccc2Cl)SC(=S)N1CCc1ccccc1 975208 MFQAECOQKMZRSV-WJDWOHSUSA-N 377.893 4.923 10 50 GJCA Cc1cc(/C=C2/SC(=S)NC2=O)c(C)n1-c1cccc(C(F)(F)F)c1 1185970 XUHZYWNBOVBDNN-VGOFMYFVSA-N 382.432 4.602 10 50 GJCA Cc1ccc(S(=O)(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)cc1 638390 DWAGBYCBADIBTR-UHFFFAOYSA-N 396.493 4.778 10 50 GJCA CCCCC1(C)OC(=O)C(=Cc2cccc(OCc3ccccc3)c2)C(=O)O1 4649276 MDCAPCHTYGPRCX-UHFFFAOYSA-N 380.440 4.655 10 50 GJCA COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1ccc(Cl)c(Cl)c1 753591 RGLGURTVWGJTKI-GDNBJRDFSA-N 394.298 4.999 10 50 GJCA COc1ccccc1-c1c(C)oc2c(CN3CCCC[C@@H]3C)c(O)ccc2c1=O 3653128 LEXIIBMSVNOCIL-HNNXBMFYSA-N 393.483 4.857 10 50 GJCA biogenic Cc1cc2c3c(c1)[C@@H]1C=CC[C@H]1CN3[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@@H]21 239425994 VOUNWWOTGCOYHY-DXGKXZIESA-N 384.479 5.798 10 50 GJCA COc1cc(C2=NN(C(=O)c3cccs3)[C@H](c3cccs3)C2)ccc1O 328597665 IOOZGZQJFDSDLL-AWEZNQCLSA-N 384.482 4.515 10 50 GJCA CC[C@H](C)N1C(=O)/C(=C/c2cc(C)n(-c3ccc(C)cc3)c2C)C(O)=NC1=S 1127809 NTUUOWUQNNUIOZ-BXUJETTOSA-N 395.528 4.668 10 50 GJCA COc1ccc(/C=C2/SC(Nc3ccc(Br)cc3)=NC2=O)cc1 1218219 RBWMPDWRPKFITP-XNTDXEJSSA-N 389.274 4.540 10 50 GJCA Cc1cccc(N[C@@H](c2ccc3c(c2)OCO3)c2ccc3ccc(C)nc3c2O)n1 4164772 ASZDPGHRTDVQCH-QFIPXVFZSA-N 399.450 4.882 10 50 GJCA COc1ccc(/C=C2/SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc1 1416641 KOZJIEDRGFYXRT-CXUHLZMHSA-N 391.901 4.763 10 50 GJCA CN1C(=O)/C(=C\c2ccccc2OCc2ccc(Cl)cc2)SC1=S 5102991 YDDVAUOCQQAWPG-MHWRWJLKSA-N 375.902 4.750 10 50 GJCA Cc1c(Cl)cccc1-c1ccc(/C=C2/C(=O)NN(c3ccc(F)cc3)C2=O)o1 15837031 NLIJWBUUHABTON-BOPFTXTBSA-N 396.805 4.509 10 50 GJCA CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cccc(OC)c1 22130514 ALKAOSRHDZBEDT-STZFKDTASA-N 391.467 4.579 10 50 GJCA Cc1cc(/C=C2/SC(=S)NC2=O)c(-c2ccccc2)n1-c1ccccc1 1198376 NUTPCRJEECRYLS-QGOAFFKASA-N 376.506 4.942 10 50 GJCA CCN1C(=O)/C(=C\c2ccc(COc3cccc(Cl)c3)o2)SC1=S 4652227 DVFHTNPCIYEOCN-OQLLNIDSSA-N 379.890 4.733 10 50 GJCA CC[C@]1(C)C[C@](CCNCc2ccccc2O)(c2ccc(OC)cc2)CCO1 4029063 JIQAHUHUQCSDSD-DNQXCXABSA-N 383.532 4.798 10 50 GJCA biogenic Cc1ccc(SCCOc2ccc(/C=C3\SC(=S)NC3=O)cc2)cc1 16183097 KRMQZHAPCXKKLZ-ATVHPVEESA-N 387.551 4.655 10 50 GJCA CN(C)Cc1c(O)ccc2c(=O)c(Oc3ccccc3F)c(C(F)(F)F)oc12 22242134 MCWBZGCPBHXBRP-UHFFFAOYSA-N 397.324 4.510 10 50 GJCA COc1cc(/C=C2/C(=O)N(c3ccccc3Cl)N=C2C)cc(Cl)c1O 4613833 RCKDYYQKEYUSNA-KPKJPENVSA-N 377.227 4.514 10 50 GJCA CCc1cc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc2c(CN(C)C)c1O 1165778 UTGGEOVXGGMXKL-UHFFFAOYSA-N 391.389 4.808 10 50 GJCA O=C1/C(=C/c2cccc(O)c2)SC(=S)N1c1ccc(Br)cc1 16667578 HKZATHNOABFWKS-ZROIWOOFSA-N 392.299 4.561 10 50 GJCA O=C(Oc1ccccc1)c1cc2c3c(c1O)[C@@H]1C=CC[C@@H]1CN3C[C@@H]1CC=C[C@@H]21 101640248 PPHLXSUAQQATPK-QFHJOOASSA-N 385.463 4.764 10 50 GJCA COC(=O)c1ccc([C@@H]2Nc3c([N+](=O)[O-])cc(C)c(C)c3[C@H]3C=CC[C@H]32)cc1 4151406 XMQNBARUIWVRMS-QKLQHJQFSA-N 378.428 4.825 10 50 GJCA FC(F)(F)c1cc(NC(=S)NCc2ccccn2)cc(C(F)(F)F)c1 33808194 SLENHPFYYXWNKA-UHFFFAOYSA-N 379.329 4.606 10 50 GJCA COc1ccc(-n2c(C)c([N+](=O)[O-])c3ccc(O)c(CN4CCCCC4)c32)cc1 1234002 VKQDQUKUVXGKRA-UHFFFAOYSA-N 395.459 4.547 10 50 GJCA Cc1ccc(C)n1-c1ccsc1C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 739792613 VAZHQADLWRKNGX-GOSISDBHSA-N 382.485 4.576 10 50 GJCA Cc1cccc(N[C@H](c2ccc3c(c2)OCO3)c2ccc3cccnc3c2O)n1 5740606 NGWUXABAUGUHJZ-OAQYLSRUSA-N 385.423 4.574 10 50 GJCA COc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc(Cl)c1O 974628 JDGBVQNBSVIAIO-NTEUORMPSA-N 383.922 4.588 10 50 GJCA CCN1C(=O)/C(=C/c2ccc(OC)c(COc3ccccc3C)c2)SC1=S 1019077 CIDLJRHMFIVLGG-UNOMPAQXSA-N 399.537 4.804 10 50 GJCA CCCC(=O)N[C@H](c1ccc(Cl)cc1)c1cc([N+](=O)[O-])c2cccnc2c1O 4844874 QYTDJFIAPKSMEO-GOSISDBHSA-N 399.834 4.508 10 50 GJCA O=C(c1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@@H]21)N1CCCC1 1216665 WLAHXIMORDOAIS-LVCYWYKZSA-N 389.455 4.657 10 50 GJCA CCCCOC(=O)CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S 2333388 NJSDWGSDGVVFMD-QINSGFPZSA-N 397.949 4.665 10 50 GJCA Cc1cnc(O)n1-c1ccc([C@H](C)N[C@@H](C)c2cc3c(cc2O)CCCC3)cc1 2325734842 XGPPHBLVXZFTNM-IRXDYDNUSA-N 391.515 4.883 10 50 GJCA Cc1cc(N2CCCCC2)ccc1/C=C1/NC(=O)N(c2cccc(Cl)c2)C1=O 16266920 UWPBTWZZLKXTCT-DEDYPNTBSA-N 395.890 4.736 10 50 GJCA COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OC(C)C 1215527 DHJXDRVMVGQVNG-YVLHZVERSA-N 384.863 4.942 10 50 GJCA Cc1cc(/C=C2\NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccccc1 2830390 SFWMMZCFLPUBBI-NDENLUEZSA-N 391.858 4.845 10 50 GJCA COc1ccc(-c2cc(=O)oc3c(C)c(O)c(CN4CCC[C@H](C)C4)cc23)cc1 2150002 CVHTWKYCYKUURC-HNNXBMFYSA-N 393.483 4.715 10 50 GJCA biogenic Cc1cc(C(=O)N[C@@H]2CCC[C@@H](C(=O)O)CC2)c(C)n1-c1cccc(C(C)C)c1 1875354082 QIURJNOBQCOOSS-UYAOXDASSA-N 396.531 4.981 10 50 GJCA CCOC(=O)[C@H]1CCCN(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)C1 4987369 KKQJGFBCASOIAI-INIZCTEOSA-N 375.553 4.762 10 50 GJCA O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)SC(=S)N1c1cccc(Cl)c1 4482682 XWPAVFSXCWNDDE-RIYZIHGNSA-N 376.846 4.654 10 50 GJCA O=C(O)CCCCCN1C(=O)/C(=C/c2cccc3ccccc23)SC1=S 1916921 PKMHMWGVNCYMTB-LGMDPLHJSA-N 385.510 4.686 10 50 GJCA CCc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)NC2=O)cc1 12616801 FCCVFVFNEOWXSY-PDGQHHTCSA-N 391.521 4.591 10 50 GJCA CC[C@H](C1=NN2C(=N)/C(=C\c3cccs3)C(=O)N=C2S1)c1ccccc1 4949297 DTPZBBKWGWRHOD-YJFZHMCLSA-N 380.498 4.561 10 50 GJCA O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 5092934 KOHSPYVAMBRDJG-KPKJPENVSA-N 387.822 4.767 10 50 GJCA COc1ccc(NC(=O)c2c(NCc3ccccn3)sc3c2CCC3)cc1 798213 RSVJERYFDJHENX-UHFFFAOYSA-N 379.485 4.505 10 50 GJCA COc1ccc(O)c([C@H](C)NC(=O)c2cc3c(s2)-c2ccccc2CC3)c1 170621239 PEXLIJYTQSIQHG-ZDUSSCGKSA-N 379.481 4.719 10 50 GJCA CCN1/C(=C\C=C2\SC(=S)N(c3ccccc3)C2=O)Oc2ccccc21 100707120 KHCYVJJRVIYFQI-PWDIZTEBSA-N 380.494 4.696 10 50 GJCA COc1cc(/C=C2\C(=O)N(c3cccc(Cl)c3)N=C2C)cc(Cl)c1O 5034221 FCRXSADZPPJXMG-NSIKDUERSA-N 377.227 4.514 10 50 GJCA CCCC(=O)N[C@@H](c1ccc(N(C)C)cc1)c1cc(Cl)c2cccnc2c1O 801071 LHHBXTYLAYAKHI-FQEVSTJZSA-N 397.906 4.666 10 50 GJCA CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3C)c(OC)c2)SC1=S 4725603 CTIGPFJHJRYEMD-XDHOZWIPSA-N 399.537 4.804 10 50 GJCA Oc1ccccc1CN(Cc1cccnc1)C[C@H]1CCCN(C2CCCCC2)C1 12308901 QGKBCLGNKHSZCD-JOCHJYFZSA-N 393.575 4.834 10 50 GJCA COc1ccc(OC)c(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)c1 1184590 LLODAVMLOQEJTO-MHWRWJLKSA-N 391.901 4.763 10 50 GJCA Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(C(=O)c2ccccc2)c1 5701289 IIEROUFTGSFZKX-UHFFFAOYSA-N 385.872 4.680 10 50 GJCA Cc1ccc([C@@H](NC(=O)Cc2ccccc2)c2ccc3cccnc3c2O)cc1 855588 SGMUTMBUJAZEJZ-HSZRJFAPSA-N 382.463 4.697 10 50 GJCA CCCN1C(=O)/C(=C2\SC(=S)N(c3ccc(C)cc3)C2=O)c2ccccc21 13590587 QHWTXZZETGKVLH-ZCXUNETKSA-N 394.521 4.528 10 50 GJCA CC[C@]1(O)[C@@H](C)[C@H](c2ccc(N(C)C)cc2)N[C@@H](c2ccc(N(C)C)cc2)[C@H]1C 239331264 KJQBZHDKPAMYIE-MRMVSFONSA-N 395.591 4.618 10 50 GJCA COc1cc(/C=C2/SC(N3CCCCC3)=NC2=O)ccc1OCCC(C)C 1158967 HPSHJJVQFZLDBX-XMHGGMMESA-N 388.533 4.576 10 50 GJCA Cc1cc(Br)c(-c2ccc(/C=C3/SC(=S)NC3=O)o2)cc1C 1203064 OYDSBVQGRSHFQU-VGOFMYFVSA-N 394.315 4.815 10 50 GJCA O=C(O)CCc1ccc(-c2cccs2)n1CCOc1ccccc1Cl 2870397 DJLOEXZQMGRLLW-UHFFFAOYSA-N 375.877 4.966 10 50 GJCA Cc1ccc(N2C(=O)N=C(O)/C(=C/c3cc(C)n(-c4ccccc4)c3C)C2=O)cc1 8741262 XCNPSDBWWMTZMS-STZFKDTASA-N 399.450 4.909 10 50 GJCA COC(=O)c1ccc([C@@H]2Nc3c([N+](=O)[O-])cc(C)c(C)c3[C@H]3C=CC[C@@H]32)cc1 4151404 XMQNBARUIWVRMS-ZWOKBUDYSA-N 378.428 4.825 10 50 GJCA CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@@H]1/N=N/c1ccccc1O 100354148 MMXLXKHLGDUTHT-KGNHYALCSA-N 391.456 4.699 10 50 GJCA CCN(CC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2 222372281 FAYALEOOHOCRDV-WOIUINJBSA-N 391.471 4.903 10 50 GJCA Cc1c(CCNC(=O)c2conc2-c2ccccc2)c2cccc3c2n1CCC3 670446550 GESNUHUVCXSDOL-UHFFFAOYSA-N 385.467 4.523 10 50 GJCA CCOCc1cc(CN[C@H](C)c2cnn(-c3cccc(F)c3)c2C)ccc1OC 12200092 QXHBIHGWOOUROD-MRXNPFEDSA-N 397.494 4.716 10 50 GJCA COC(=O)c1ccccc1N[C@@H](c1ccccc1)c1ccc2cccnc2c1O 762974 ZPJOAKSLQZOQOG-NRFANRHFSA-N 384.435 4.929 10 50 GJCA Cc1ccc(-n2c(/C=C/c3ccc(N(C)C)cc3)nc3ccccc3c2=O)cc1 4725796 FETRPPNVMGIURI-SFQUDFHCSA-N 381.479 4.931 10 50 GJCA Cc1cccc(OCCCOc2ccccc2/C=C2/SC(=S)NC2=O)c1C 4755080 OZPBYHXQBNQCGG-CPNJWEJPSA-N 399.537 4.640 10 50 GJCA CCN1C(=O)/C(=C\c2ccccc2OC/C=C/c2ccccc2)SC1=S 6951861 DLZFXAFRXHUIII-URDYEQAASA-N 381.522 5.000 10 50 GJCA O=C(c1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)N1CCOCC1 4322665 FCUUUEKXVCVQGJ-UHFFFAOYSA-N 393.446 4.562 10 50 GJCA Oc1ccc2c(oc3c(-c4cccc(OC(F)F)c4)c4cn[nH]c4nc32)c1O 218260752 CFDXJWUBGGABFS-UHFFFAOYSA-N 383.310 4.537 10 50 GJCA COc1ccc2cc(C(=O)[C@@H]3CCCN(Cc4ccccc4O)C3)ccc2c1 11934256 XYFUMCMZKMWQMK-OAQYLSRUSA-N 375.468 4.649 10 50 GJCA CC1=NN(c2ccccc2)C(=O)/C1=C\NN(Cc1ccccc1)c1ccccc1 22015619 WLEVORTVRAXLCS-QJOMJCCJSA-N 382.467 4.504 10 50 GJCA COc1ccc2c(c1)c(=O)oc1c(C)c(OCC(=O)c3ccc(C)cc3)ccc12 2422204 PVKVGJANZDQEBD-UHFFFAOYSA-N 388.419 4.833 10 50 GJCA CC1CCN(C2=NC(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)S2)CC1 2825697 IPOMPQVOQQFLSE-QNGOZBTKSA-N 392.524 4.968 10 50 GJCA c1ccc2[nH]c(-c3ccc(N4CCC(NC5CCOCC5)CC4)cc3)cc2c1 23369058 RDQXZIYRHICFBA-UHFFFAOYSA-N 375.516 4.572 10 50 GJCA COc1ccc(N2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)cc1Cl 1136773 LZTXORKZJANVTP-NVNXTCNLSA-N 379.865 4.894 10 50 GJCA O=C1/C(=C\c2cccc([N+](=O)[O-])c2)SC(=S)N1c1ccc(F)c(Cl)c1 1123226 RRTOBVPHPOCPJT-VGOFMYFVSA-N 394.836 4.793 10 50 GJCA Cc1ccc([C@H](NC(=O)Cc2ccccc2)c2ccc3cccnc3c2O)cc1 4903390 SGMUTMBUJAZEJZ-QHCPKHFHSA-N 382.463 4.697 10 50 GJCA O=C(O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N3C[C@@H]1CC=C[C@H]21 239274960 AZRBPQNKAPCMOS-SLEIARFRSA-N 387.454 5.418 10 50 GJCA CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)ccc1OCc1ccccc1 13942668 XWGGFGPAQMKKBR-CPNJWEJPSA-N 399.537 4.885 10 50 GJCA CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)c(O)c(Br)c1 14011382 MZZVGQHMAZNGIR-QPEQYQDCSA-N 391.652 4.614 10 50 GJCA O=C(N[C@H](c1ccc([N+](=O)[O-])cc1)c1c(O)ccc2ccccc12)c1ccccc1 855828 BGGZYWOTOAUQIO-HSZRJFAPSA-N 398.418 4.973 10 50 GJCA COc1cc(CN[C@H](C)c2cccc(C(F)(F)F)c2O)c2ccccc2n1 225408849 ADSJOGRCZCGJET-GFCCVEGCSA-N 376.378 4.819 10 50 GJCA CC(C)CC(=O)N[C@H](c1cccc([N+](=O)[O-])c1)c1c(O)ccc2ccccc12 801033 ULMIGBBHDBXDDR-JOCHJYFZSA-N 378.428 4.705 10 50 GJCA CC[C@H](C)N1C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S 1165107 ALZJUYNYMOIOMT-OKHBPPCESA-N 388.470 4.855 10 50 GJCA COc1ccc(/C=C2/SC(=S)N(c3cccc4ccccc34)C2=O)cc1O 1177673 UUNPQGGUMAMRCZ-XDHOZWIPSA-N 393.489 4.960 10 50 GJCA COc1ccc(N2C(=O)/C(=C\c3c(F)cccc3Cl)SC2=S)cc1 5670556 MGWNGRYXBOSMML-OQLLNIDSSA-N 379.865 4.894 10 50 GJCA CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/c1ccc(-c2cccc(C(=O)O)c2)o1 16292679 DQOICLOFNRDRBS-DEDYPNTBSA-N 386.407 4.759 10 50 GJCA CSc1c(C(=O)Nc2cccc(F)c2)ccc2c1C(=O)c1ccccc1C2=O 4694296 JRLHGBMDQQUUNF-UHFFFAOYSA-N 391.423 4.575 10 50 GJCA CCN(CC)c1ccc(N2C(=O)/C(=C/c3ccc(OC)cc3)SC2=S)cc1 1002925 WSHMGONZXBPPGS-RGEXLXHISA-N 398.553 4.947 10 50 GJCA CCCSc1nnc2c(n1)O[C@H](c1ccc(N(C)C)cc1)Nc1ccccc1-2 2911875 YVEJUCSVKVSFOV-LJQANCHMSA-N 393.516 4.610 10 50 GJCA CCN(CC)Cc1cc(Nc2c3ccccc3nc3c2c(C)nn3C)ccc1O 4517925 SJZLHMXSCJOUNV-UHFFFAOYSA-N 389.503 4.721 10 50 GJCA Cc1cc(O)ccc1NS(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1 740700709 BMIOCCGIEJYCEE-UHFFFAOYSA-N 389.860 4.947 10 50 GJCA COc1ccccc1/C=C/C=C1\SC(=S)N(Cc2ccc(C)cc2)C1=O 1164527 MDDOODZPMOBEHY-GIRMVSSCSA-N 381.522 4.961 10 50 GJCA Cc1cccc(Oc2c(C(F)(F)F)oc3c(CN(C)C)c(O)ccc3c2=O)c1 20010830 MNQVMQNTOFNCKX-UHFFFAOYSA-N 393.361 4.680 10 50 GJCA O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2)N1CCCC1 101691785 JXOIIPFRFQUXMS-KNKQGSTJSA-N 389.455 4.657 10 50 GJCA Oc1ccc(Cl)cc1CN1CCOc2c(O)cc(-c3cccs3)cc2C1 12190846 UVQUDMLRMNJVSI-UHFFFAOYSA-N 387.888 4.874 10 50 GJCA CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(Cl)cc1 12413431 WUYIGLKNHCIPNQ-UYRXBGFRSA-N 397.858 4.616 10 50 GJCA CC(C)CC1=NN2C(=N)/C(=C/c3ccc(-c4ccc(F)cc4)o3)C(=O)N=C2S1 4645988 KWJSVNPMKPPLEX-HUHIGAQKSA-N 396.447 4.751 10 50 GJCA O=C1N=C(Nc2ccccc2Cl)S/C1=C/c1cc([N+](=O)[O-])ccc1Cl 7003898 CQRGZVHWFOHZKY-RIYZIHGNSA-N 394.239 4.984 10 50 GJCA CCCCC(=O)N[C@@H](c1ccc(OC)c(OC)c1)c1c(O)ccc2ccccc12 2870340 BKSDMVNJYNJHPO-DEOSSOPVSA-N 393.483 4.958 10 50 GJCA Cc1cc(C(=O)N2CCC([C@@H](O)c3cccs3)CC2)c(C)n1-c1ccccc1 1506405234 YGWKJQREODCOTB-JOCHJYFZSA-N 394.540 4.741 10 50 GJCA COc1ccc(-n2c(/C=C/c3ccc(N(C)C)cc3)nc3ccccc3c2=O)cc1 4725797 VECPEGLSVITVTK-LICLKQGHSA-N 397.478 4.631 10 50 GJCA Cc1ccccc1Cn1cc(/C=C2\SC(=S)N(C)C2=O)c2ccccc21 5102416 RMQUMKQHBJQGHU-ODLFYWEKSA-N 378.522 4.829 10 50 GJCA CC[C@H]1CCCCN1Cc1c(O)c(Cl)cc2c3c(c(=O)oc12)CCCC3 19800094 LGEMGRJHQBCNPF-ZDUSSCGKSA-N 375.896 4.795 10 50 GJCA COC(=O)c1ccccc1-c1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)o1 666785 PJKOSSHMRUAAGZ-XSFVSMFZSA-N 386.407 4.539 10 50 GJCA Oc1ccc(-c2ccc(O)c(CN3CCCCC3)c2)cc1CN1CCCCC1 3635757 KJSLTUMJIPXMHI-UHFFFAOYSA-N 380.532 4.737 10 50 GJCA Cc1ccc2ccc([C@@H](Nc3ccccn3)c3ccc4c(c3)OCO4)c(O)c2n1 18190332 SLGDNPHLIHHAMH-NRFANRHFSA-N 385.423 4.574 10 50 GJCA Cc1cccc(C)c1OCCCOc1ccc(/C=C2/SC(=S)NC2=O)cc1 4755096 LYTLXUASFMBCDY-QGOAFFKASA-N 399.537 4.640 10 50 GJCA Cc1ccc(C)c(OCCCOc2ccccc2/C=C2/SC(=S)NC2=O)c1 4755118 FFEMBIDFFXPDHG-CPNJWEJPSA-N 399.537 4.640 10 50 GJCA Cc1ccnc(N[C@@H](c2cccc([N+](=O)[O-])c2)c2ccc3cccnc3c2O)c1 2978255 CKWCYYXSFATAIE-FQEVSTJZSA-N 386.411 4.754 10 50 GJCA COc1ccccc1[C@@]1(CCNCc2ccc(N(C)C)cc2)CCOC(C)(C)C1 3999244 OAVTYOIOESAJKW-VWLOTQADSA-N 396.575 4.768 10 50 GJCA biogenic CCN(CC)c1ccc(/C=C2/N=C(c3cc(Cl)ccc3OC)OC2=O)cc1 1160552 COGHZZUFFLNGRO-LDADJPATSA-N 384.863 4.539 10 50 GJCA Cc1[nH]c2ccccc2c1/C=C1/SC(=S)N(c2cccc(C(=O)O)c2)C1=O 1255220 FZXKZVJTFWWGLD-LICLKQGHSA-N 394.477 4.580 10 50 GJCA O=C1/C(=C/c2ccccc2)SC(=S)N1c1cccc(Br)c1 1045910 ZGWJLVBFAPBIRR-ZROIWOOFSA-N 376.300 4.855 10 50 GJCA CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)SC1=S 5069017 FAABGFLXHVEGKO-MHWRWJLKSA-N 376.934 4.969 10 50 GJCA CC(C)(C)OC(=O)NC1CCN([C@H](c2cccs2)c2ccccc2O)CC1 25760643 UUMHTMZBVBXNOV-IBGZPJMESA-N 388.533 4.532 10 50 GJCA Cc1ccc(C)n1-c1ccsc1C(=O)Nc1ccc(O[C@H]2CCOC2)cc1 739792625 VAZHQADLWRKNGX-SFHVURJKSA-N 382.485 4.576 10 50 GJCA CC[C@H]1CCCCN1Cc1c(O)ccc2c(=O)c(-c3ccccc3OC)coc12 19790386 OPXBESCOSXERIC-INIZCTEOSA-N 393.483 4.939 10 50 GJCA O=S(=O)(Nc1cccc(N2CCCC2)c1)c1ccc2c(c1)Cc1ccccc1-2 1141323 MTQJAGPUYZQOGM-UHFFFAOYSA-N 390.508 4.659 10 50 GJCA CC[C@@H](C)N1C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S 1165105 ALZJUYNYMOIOMT-FFCYNSPCSA-N 388.470 4.855 10 50 GJCA Cc1ccccc1[C@H]1CCN(C(=O)NCc2ccc(N3CCCCC3)cc2)C1 2325701885 CLRDFFXNOFPIGY-NRFANRHFSA-N 377.532 4.684 10 50 GJCA CCN(CC)c1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1 1748609 KLHTVTDQTMTROY-XMHGGMMESA-N 382.554 4.934 10 50 GJCA CCN(CC)c1ccc(/C=C2/SC(=O)N(CNc3ccc(F)cc3)C2=O)cc1 2055925 YPYXAYZAEQMFHZ-CPNJWEJPSA-N 399.491 4.778 10 50 GJCA O=C(O)CCc1ccc(-c2cccs2)n1-c1ccc(Br)cc1 1053950 SJGAIPIRNMBJAT-UHFFFAOYSA-N 376.275 4.986 10 50 GJCA O=C1/C(=C/c2ccc(Br)cc2)SC(=S)N1Nc1ccccc1 2282869 AMEOZEMBGPGLDY-UVTDQMKNSA-N 391.315 4.677 10 50 GJCA CN(C)c1ccc(CNCC[C@H](c2ccccc2)c2ccc3c(c2)OCO3)cc1 2289909 UVNVEQCDFHIDNB-HSZRJFAPSA-N 388.511 4.793 10 50 GJCA CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(-c2ccc(C(=O)O)cc2)o1 13895294 JHTAALUEVLIBMF-UNOMPAQXSA-N 390.370 4.590 10 50 GJCA O=C(Oc1ccccc1)c1cc2c3c(c1O)[C@@H]1C=CC[C@@H]1CN3C[C@@H]1CC=C[C@H]21 101640251 PPHLXSUAQQATPK-OGWHTMIXSA-N 385.463 4.764 10 50 GJCA COc1ccc(C2=C/C(=C\c3c(OC)ccc4ccccc34)C(=O)O2)c(OC)c1 4472060 OKJFCNQRDKFAJZ-FOWTUZBSSA-N 388.419 4.847 10 50 GJCA CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)SC1=S 1462021 KLCBPUHSDVOQSZ-BOPFTXTBSA-N 395.484 4.509 10 50 GJCA O=C1/C(=C\c2ccco2)C(c2ccccc2)=NN1c1cccc(Br)c1 101525184 SKSVUKZUBYVTNZ-AQTBWJFISA-N 393.240 4.877 10 50 GJCA CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ccc(N)cc1C(F)(F)F 200857804 QCRGRVUAKQVTQI-UHFFFAOYSA-N 376.375 4.964 10 50 GJCA CC(C)Oc1ccc(-c2c3cn[nH]c3nc3c2oc2c(O)c(O)ccc23)cc1 217735291 LGFNHLZTKKVXOJ-UHFFFAOYSA-N 375.384 4.723 10 50 GJCA biogenic CN1C(=O)/C(=C\c2cc(Cl)ccc2OCc2ccc(F)cc2)SC1=S 5103113 DXKDAFSBCLZXNO-CXUHLZMHSA-N 393.892 4.889 10 50 GJCA O=C1N=C(Nc2cccc(Cl)c2Cl)S/C1=C\c1cccc([N+](=O)[O-])c1 16755480 RIYOHMVPMMRTBD-JYRVWZFOSA-N 394.239 4.984 10 50 GJCA O=C(O)[C@@H](Cc1c[nH]c2ccccc12)Nc1c2ccccc2nc2ccccc12 4073792 KLTRUWFOTALXPO-JOCHJYFZSA-N 381.435 4.977 10 50 GJCA biogenic CCC(=O)Oc1ccc(/C=C2\C(=O)N(c3ccc4ccccc4c3)N=C2C)cc1 15016475 ONFKLVJBOAVVLN-HMAPJEAMSA-N 384.435 4.961 10 50 GJCA CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccc(C)cc2[N+](=O)[O-])o1 15723985 KISJJJXRBCMBCV-UYRXBGFRSA-N 387.395 4.969 10 50 GJCA CCCC(=O)N[C@H](/C=C/c1ccccc1)c1cc([N+](=O)[O-])c2cccnc2c1O 3000161 DQLDOCNVNZDYAT-IENJSVCTSA-N 391.427 4.519 10 50 GJCA O=C1/C(=C\c2ccc3c(c2)OCCO3)SC(=S)N1c1ccc(Cl)cc1 6332898 SAKNCVHTSCGFAH-MHWRWJLKSA-N 389.885 4.517 10 50 GJCA CC1CCN(C(=O)c2cccc(-c3ccc(Oc4ccc(N)cn4)cc3)c2)CC1 534656654 ODCUFVVFNQKFEU-UHFFFAOYSA-N 387.483 4.995 10 50 GJCA Cc1ccc(NS(=O)(=O)c2cccc(Cl)c2)c(C(=O)c2ccccc2)c1 170618141 LILZDGMNIAUMSA-UHFFFAOYSA-N 385.872 4.680 10 50 GJCA CC(C)(C)[C@]12C(=O)C(=O)[C@]3(C(C)(C)C)[C@@H]([C@@H]1C2(Cl)Cl)C3(Cl)Cl 226840928 ANVKBIDRBUAYNI-ZPAAZFHLSA-N 386.146 4.811 10 50 GJCA Cc1ccc(OCCCOc2ccc(/C=C3/SC(=S)NC3=O)cc2)cc1C 2874379 OQCOWMOJINCLRG-CPNJWEJPSA-N 399.537 4.640 10 50 GJCA COc1ccc(N2C(=O)/C(=C\c3cn(C)c4ccccc34)SC2=S)cc1 2402207 XKDANAWHQFOUBK-WOJGMQOQSA-N 380.494 4.593 10 50 GJCA O=C(/C=C/c1ccccc1)N1CCN(c2ccc(OCc3ccccc3)cc2)CC1 1457105 DNISFMNDUPEVBF-LFIBNONCSA-N 398.506 4.628 10 50 GJCA COc1ccc([C@@H](Nc2ccccn2)c2ccc3cccnc3c2O)cc1OC 4139997 KVIWTXYWCVKZLF-OAQYLSRUSA-N 387.439 4.554 10 50 GJCA CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(Br)cc1 22015890 HNWCAJNGEKQJRS-YBEGLDIGSA-N 375.653 4.909 10 50 GJCA CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1cc2c(cc1Cl)OCO2 100147932 YQXHZOBGXSQJDQ-LHHJGKSTSA-N 375.211 4.528 10 50 GJCA CC[C@]1(O)[C@@H](C)[C@@H](c2ccc(N(C)C)cc2)N[C@@H](c2ccc(N(C)C)cc2)[C@H]1C 239331262 KJQBZHDKPAMYIE-DGEYCZFQSA-N 395.591 4.618 10 50 GJCA COc1ccc2c(c1)N(C)/C(=C1\SC(=S)N(C3CCCCC3)C1=O)S2 13573456 MGSCGPQFMDAVDP-BMRADRMJSA-N 392.571 4.599 10 50 GJCA Oc1ccc(Cl)cc1CN1CCC[C@@H](c2[nH]ncc2-c2cccc(F)c2)C1 20781399 IOHOEJRYVDNTPY-OAHLLOKOSA-N 385.870 4.954 10 50 GJCA Cc1cnc(C)c(-c2ccc(O)c(CNCc3ccccc3C(F)(F)F)c2)n1 299757448 HNBQXMVABREVGV-UHFFFAOYSA-N 387.405 4.775 10 50 GJCA Cc1cc(/C=C2/SC(=S)NC2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 1195738 ZYMOKNLVUCEJSA-MKMNVTDBSA-N 383.325 4.890 10 50 GJCA CCCCOc1ccc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc1OC 22258229 JFOARPGVISRCLB-BOPFTXTBSA-N 379.547 4.731 10 50 GJCA CC[C@@]1(C)C[C@@](CCNCc2ccccc2O)(c2ccc(OC)cc2)CCO1 4029062 JIQAHUHUQCSDSD-ZEQRLZLVSA-N 383.532 4.798 10 50 GJCA biogenic Cc1ccc(OCCCOc2ccc(/C=C3/SC(=S)N(C)C3=O)cc2)cc1 2843950 GXIMMAAQSQAEPY-XMHGGMMESA-N 399.537 4.674 10 50 GJCA CN(CCc1ccccc1)Cc1cc(Br)cc(Br)c1O 19632884 XWYFVCGRTPSVBR-UHFFFAOYSA-N 399.126 4.592 10 50 GJCA COc1ccc(N2CCN(C(=O)C34CC5(C)CC(C)(CC(C)(C5)C3)C4)CC2)cc1 4335379 YVBBOFKXDDJRGC-UHFFFAOYSA-N 396.575 4.731 10 50 GJCA O=C(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2)N1CCCC1 101691780 JXOIIPFRFQUXMS-DXIQSLLYSA-N 389.455 4.657 10 50 GJCA CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)NCc1ccccc1Cl 4741220 YFTXYODASDZGCS-LDADJPATSA-N 396.903 4.736 10 50 GJCA CCCN1CCN(Cc2cc(-c3ccnc4cc(Cl)ccc34)ccc2O)CC1 23159296 AFHQHEPWGXDRDK-UHFFFAOYSA-N 395.934 4.788 10 50 GJCA O=C(C[C@H](c1ccccc1)c1ccccc1Cl)NCc1ccc(O)cc1O 95524067 DUJPPPDMYSVSAJ-LJQANCHMSA-N 381.859 4.590 10 50 GJCA COc1ccc(NC2(c3ccc(Cl)cc3)C(=O)c3ccccc3C2=O)cc1 970410 FKGBNJGNLSFMAF-UHFFFAOYSA-N 377.827 4.735 10 50 GJCA CCN(Cc1ccccc1)Cc1cc(Br)cc(Br)c1O 19635168 YZHMVXLCUILPKN-UHFFFAOYSA-N 399.126 4.939 10 50 GJCA CCCCC1=NN2C(=N)/C(=C/c3cc(Cl)c(O)c(Cl)c3)C(=O)N=C2S1 4725328 PWSCPFNCUVQKJB-FGECJLSQSA-N 397.287 4.508 10 50 GJCA COc1ccc2cc(C(=O)[C@H]3CCCN(Cc4ccccc4O)C3)ccc2c1 11934257 XYFUMCMZKMWQMK-NRFANRHFSA-N 375.468 4.649 10 50 GJCA CCOC(=O)[C@@H]1CCCCN1Cc1cc(-c2nc3ccccc3s2)ccc1O 20599975 AIJRPXVDIIKZND-SFHVURJKSA-N 396.512 4.587 10 50 GJCA CCCCOc1cc([N+](=O)[O-])c(OCCCC)cc1N(C)C[C@H]1CCCO1 5193184 XCQBMQVVMZIJLZ-MRXNPFEDSA-N 380.485 4.568 10 50 GJCA CCc1cccc(NC(=O)CC2(c3ccccc3)C(=O)c3ccccc3C2=O)c1 22014953 DHAWSCVEKNNVGE-UHFFFAOYSA-N 383.447 4.595 10 50 GJCA Cc1ccnc(N[C@H](c2ccc(N(C)C)cc2)c2ccc3cccnc3c2O)c1 2470370 XFTMHNBUYOONGV-JOCHJYFZSA-N 384.483 4.911 10 50 GJCA COc1cc(C2=NN(C(=O)c3cccs3)[C@@H](c3cccs3)C2)ccc1O 328597673 IOOZGZQJFDSDLL-CQSZACIVSA-N 384.482 4.515 10 50 GJCA O=C(Nc1ccc(-c2ccco2)cc1)[C@@H]1CCCN(Cc2ccccc2O)C1 39358087 KEVOERSWOZWCEO-LJQANCHMSA-N 376.456 4.503 10 50 GJCA Cc1cc(C(=O)N[C@H]2CCC[C@@H](C(=O)O)CC2)c(C)n1-c1ccc(C(C)C)cc1 1875354494 XZVDHVLDEJBQMA-UXHICEINSA-N 396.531 4.981 10 50 GJCA O=C(COc1ccccc1)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12 943241 BXYRYLJIIOSAOP-VWLOTQADSA-N 383.447 4.830 10 50 GJCA CCc1cccc(C)c1N1C(=O)/C(=C/c2ccc(C(=O)O)cc2)SC1=S 2835078 RLYQKPOQGNTSSK-WJDWOHSUSA-N 383.494 4.661 10 50 GJCA O=C1/C(=C/c2cccc(O)c2)SC(=S)N1c1cccc(Br)c1 16667324 RVSHNUDYYIKAQB-ZSOIEALJSA-N 392.299 4.561 10 50 GJCA O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2)N1CCOCC1 22289025 CLWRPOOIPCVOTC-KNKQGSTJSA-N 394.902 4.639 10 50 GJCA CCN1C(=O)/C(=C\C=C2\Sc3ccc(Cl)cc3N2CC)SC1=S 33907847 ZHTUWYKCQFHRAT-FNCQTZNRSA-N 382.963 4.878 10 50 GJCA Cc1ccc(/C=C2\SC(Nc3cccc(Cl)c3C)=NC2=O)cc1[N+](=O)[O-] 1200930 YLVYPYAOQFXXQJ-SXGWCWSVSA-N 387.848 4.947 10 50 GJCA COc1cc(/C=C2\SC(=S)N(CCC3CCCCC3)C2=O)ccc1O 15011206 ONNIMFNXWVBFRB-ATVHPVEESA-N 377.531 4.572 10 50 GJCA CC(C)(C)C1(C)OC(=O)C(=Cc2ccccc2OCc2ccccc2)C(=O)O1 2969324 FSIKJCJLQSAESK-UHFFFAOYSA-N 380.440 4.511 10 50 GJCA CN(C)c1ccc(/C=C2\C(=O)N(c3ccccc3F)N=C2c2ccccc2)cc1 3998750 GKZNSMFFHPRDAS-SILNSSARSA-N 385.442 4.726 10 50 GJCA CN(C)Cc1c(O)ccc2c(=O)c(-c3ccccc3Cl)c(C(F)(F)F)oc12 19681938 JWHFEESSGPEHHV-UHFFFAOYSA-N 397.780 4.899 10 50 GJCA biogenic O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C\c1c2ccccc2cc2ccccc12 1225685 OMLUNGQGHDIHID-JCMHNJIXSA-N 398.462 4.788 10 50 GJCA COc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc(Cl)c1O 12418337 WZADKFLHKUWABH-ZSOIEALJSA-N 395.864 4.599 10 50 GJCA COc1cccc(COc2ccc3c(oc(=O)c4cc(OC)ccc43)c2C)c1 949219 LSSAAQRFNLLVFJ-UHFFFAOYSA-N 376.408 4.851 10 50 GJCA biogenic CC(C)(C)OC(=O)NC1CCN([C@@H](c2cccs2)c2ccccc2O)CC1 25760638 UUMHTMZBVBXNOV-LJQANCHMSA-N 388.533 4.532 10 50 GJCA COC(=O)c1ccc(N2C(=O)/C(=C\c3ccccc3Cl)SC2=S)cc1 4482826 SWZZRQNGOIZNMQ-XNTDXEJSSA-N 389.885 4.532 10 50 GJCA O=C1/C(=C/c2ccccc2)SC(=S)N1c1ccccc1Br 1227336 UAZJWUXGEMKWPG-UVTDQMKNSA-N 376.300 4.855 10 50 GJCA COc1ccc(OC)c(C2=C/C(=C\c3c(Cl)cccc3Cl)C(=O)O2)c1 5017500 GOEIFQMFFHZZHM-DHZHZOJOSA-N 377.223 4.992 10 50 GJCA COc1ccc(NC(=O)CSc2ccc(NCc3ccccc3O)cc2)cc1 2544810 BYNXVHQMAJZOLA-UHFFFAOYSA-N 394.496 4.744 10 50 GJCA O=C1N=C(c2ccccc2)S/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 22342635 ZUMQZPPGEDRZLC-LDADJPATSA-N 376.393 4.916 10 50 GJCA O=C1/C(=C\c2ccc(Cl)cc2Cl)SC(=S)N1CNc1ccccn1 334161158 VEXWMDPRPQVWBP-NTUHNPAUSA-N 396.324 4.659 10 50 GJCA CCCC(=O)N[C@@H](c1ccc(OC)c(OC)c1)c1c(O)ccc2ccccc12 2870203 HELAODKXWJARJK-QHCPKHFHSA-N 379.456 4.568 10 50 GJCA biogenic CCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccs2)SC1=S 5050739 YOMUBHCFAJMQQL-LFIBNONCSA-N 397.550 4.822 10 50 GJCA O=S(=O)(Nc1ccc(O)cc1)c1ccc(Oc2ccccc2Cl)cc1 776745133 SGKQAQGVYXGDCF-UHFFFAOYSA-N 375.833 4.639 10 50 GJCA CCc1cccc(C)c1N1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 1136420 POZDCNDXIRYSAS-YVLHZVERSA-N 383.494 4.692 10 50 GJCA O=C1N=C(Nc2ccc(Cl)cc2)S/C1=C\c1ccc(Br)o1 1163328 IGGVNPLJMRFDLI-XFFZJAGNSA-N 383.654 4.778 10 50 GJCA CC(C)(C)C1(C)OC(=O)C(=Cc2ccc(OCc3ccccc3F)cc2)C(=O)O1 2969012 PKRSZAKRZBBREH-UHFFFAOYSA-N 398.430 4.650 10 50 GJCA O=C(OC12CC3CC(CC(C3)C1)C2)c1ccc(NCc2cc(O)ccc2O)cc1 3941698 YJZSUCFGHXQWDM-UHFFFAOYSA-N 393.483 4.836 10 50 GJCA investigational O=C1/C(=C/c2ccc(Br)cc2)SC(=S)N1Cc1ccccc1 985372 WCPRGAHOGBHLPT-GDNBJRDFSA-N 390.327 4.851 10 50 GJCA Cc1scnc1C(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccccc1O 6527599 FMIPYPWEIHDGOF-QGZVFWFLSA-N 397.887 4.802 10 50 GJCA Cc1cc(C(=O)N[C@@H]2CCC[C@H](C(=O)O)CC2)c(C)n1-c1ccc(C(C)C)cc1 1875354495 XZVDHVLDEJBQMA-VQTJNVASSA-N 396.531 4.981 10 50 GJCA Cc1cccc(Nc2cc(N3CCCC3)c(N)c3c2C(=O)c2ccccc2C3=O)c1 4817420 AESXXACXJVIUIO-UHFFFAOYSA-N 397.478 4.696 10 50 GJCA O=C1/C(=C/c2cccc(Br)c2)SC(=S)N1c1cccc(O)c1 1210470 FJESRHIXVHFGOM-ZSOIEALJSA-N 392.299 4.561 10 50 GJCA CCN1C(=O)/C(=C\c2cc(Cc3ccccc3Cl)ccc2O)SC1=S 4724615 ROHQDSVKFWJZIR-GZTJUZNOSA-N 389.929 4.858 10 50 GJCA Cc1ccccc1-n1c(/C=C/c2ccc(N(C)C)cc2)nc2ccccc2c1=O 4859629 YJFKGWIBBMGMJW-SAPNQHFASA-N 381.479 4.931 10 50 GJCA aggregator CCn1cc(/C=C2\C(=O)N(C3CCCCCC3)C(=O)N=C2O)c2ccccc21 33311494 DTAVZMZAWVXDBW-AQTBWJFISA-N 379.460 4.686 10 50 GJCA COc1ccccc1[C@H](NC(=O)C1CCCCC1)c1ccc2cccnc2c1O 869244 IYNFWIUVRYBAEN-QFIPXVFZSA-N 390.483 4.735 10 50 GJCA COc1cc(/C=C2/C=C(c3ccc4ccccc4c3)OC2=O)cc(OC)c1OC 6681998 RORWGNUOHHNHAF-GRSHGNNSSA-N 388.419 4.847 10 50 GJCA CCOC(=O)c1c(C)oc2ccc(O)c(CN3C[C@@]4(C)C[C@H]3CC(C)(C)C4)c12 238900259 IHEALTAVBHOTTP-CMJOXMDJSA-N 385.504 5.024 10 50 GJCA CCOc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCc1ccc(C)cc1 1182997 IQMRXJWVRZJJFU-XDHOZWIPSA-N 399.537 4.804 10 50 GJCA COc1ccc2c(c1)S[C@@H](c1ccc(F)cc1F)CCN2Cc1ncc[nH]1 12245890 JKBQJZMKWNGEIZ-GOSISDBHSA-N 387.455 4.940 10 50 GJCA CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C\c1ccc(C(C)C)cc1 4471247 UVJAUFAPWQEHBT-YVLHZVERSA-N 382.847 4.968 10 50 GJCA N=C1/C(=C/c2cccc3ccccc23)C(=O)N=C2SC(Cc3ccccc3)=NN12 4725361 HAKSCSUMNNIRKX-ANDFITQPSA-N 396.475 4.702 10 50 GJCA Cc1cc(C)cc(NC(=O)[C@@H]2CC23CCN(Cc2cc(Cl)ccc2O)CC3)c1 11968849 XRRDRQDEKCFARW-FQEVSTJZSA-N 398.934 4.903 10 50 GJCA CCOc1cc(/C=C2\SC(Nc3cccc(Cl)c3C)=NC2=O)ccc1O 1091318 OZVYZLMIFCZDGN-YVLHZVERSA-N 388.876 4.835 10 50 GJCA COc1c(Cl)cc(Cl)cc1/C=C1\SC(=S)N(CC(C)C)C1=O 1112020 ASSPTUOEJLYBNP-XGICHPGQSA-N 376.330 4.859 10 50 GJCA Cc1cc(C(=O)N[C@H]2CCC[C@@H](C(=O)O)CC2)c(C)n1-c1cccc(C(C)C)c1 1875354081 QIURJNOBQCOOSS-QUCCMNQESA-N 396.531 4.981 10 50 GJCA CCCCOC(=O)CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S 4996971 PVUXAIQEIPTUBJ-ICFOKQHNSA-N 391.558 4.792 10 50 GJCA CC[C@@H](C1=NN2C(=N)/C(=C\c3cccs3)C(=O)N=C2S1)c1ccccc1 32674674 DTPZBBKWGWRHOD-UMVVCUJPSA-N 380.498 4.561 10 50 GJCA Cc1coc(-c2ccc(C)c(NCc3ccc(N4CCOCC4)c(F)c3)c2)n1 152567670 OJKNJGMYCDWGPR-UHFFFAOYSA-N 381.451 4.546 10 50 GJCA CN(C)c1ccc(-c2nc3cc(NC(=O)COc4ccccc4)ccc3o2)cc1 986737 WCEUQHZNHZEKPS-UHFFFAOYSA-N 387.439 4.578 10 50 GJCA COc1ccc(N2CCN(C(=O)c3sc4ccccc4c3Cl)CC2)cc1 1128969 WJOSRFMOXORELV-UHFFFAOYSA-N 386.904 4.526 10 50 GJCA COC(=O)c1cc(-c2ccc(C)c(C)c2)n(-c2cc([N+](=O)[O-])ccc2OC)c1C 4237786 JWFHQRPZEOACAF-UHFFFAOYSA-N 394.427 4.773 10 50 GJCA Cc1cccc(OCCCOc2cccc(/C=C3/SC(=S)NC3=O)c2)c1C 2874325 VCLCXFONCAPOGN-CPNJWEJPSA-N 399.537 4.640 10 50 GJCA Nc1ccc(Nc2cccc(C(F)(F)F)c2)c2c1C(=O)c1ccccc1C2=O 5673123 HLRLADUCZBWRHA-UHFFFAOYSA-N 382.341 4.807 10 50 GJCA Cc1ccc(OCCCOc2cccc(/C=C3/SC(=S)NC3=O)c2)cc1C 4755128 ZUPZMTUUGMAINF-CPNJWEJPSA-N 399.537 4.640 10 50 GJCA O=S(=O)(Nc1nc(-c2ccccc2)cs1)c1cc(Cl)ccc1Cl 4818005 SCRKSXXFCOXJCD-UHFFFAOYSA-N 385.297 4.918 10 50 GJCA COC(=O)c1ccc([C@@H]2Nc3c([N+](=O)[O-])cc(C)c(C)c3[C@@H]3C=CC[C@H]32)cc1 4151405 XMQNBARUIWVRMS-HLIPFELVSA-N 378.428 4.825 10 50 GJCA Oc1ccc(-c2ccccn2)cc1CNCC1(N2CCCCC2)CCCCC1 32529732 AYLJFTKRIHMHCH-UHFFFAOYSA-N 379.548 4.733 10 50 GJCA CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1ccc(Br)cc1 1857524827 WDSSBYFCANCORA-UHFFFAOYSA-N 384.277 4.784 10 50 GJCA COc1ccc(C2=N/C(=C/c3ccccc3OC)C(=O)N2c2ccccc2)cc1 15768179 AQZFFVAPLXECOR-LTGZKZEYSA-N 384.435 4.538 10 50 GJCA C[C@@H]1Oc2ccccc2C=C1/C=C1\SC(=S)N(Cc2ccccc2)C1=O 16156656 JCQGIVSDDJGSEY-YQNUULROSA-N 379.506 4.795 10 50 GJCA CCN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])c(Cl)c3)o2)SC1=S 4844886 AJWLUVBMGUHYGR-RIYZIHGNSA-N 394.861 4.729 10 50 GJCA O=C1/C(=C/c2cccs2)SC(=S)N1c1ccc(Br)cc1 1043743 FLPMZKDREFIYEU-WQLSENKSSA-N 382.329 4.916 10 50 GJCA O=S(=O)(Nc1ccc(O)c(-c2c(O)ccc3ccccc23)c1)c1cccs1 793392 NYXDSXZBPWSAFA-UHFFFAOYSA-N 397.477 4.780 10 50 GJCA in-vitro COc1ccccc1NCc1cc(Br)cc(Br)c1O 1406663 IPSCWEDONORGTQ-UHFFFAOYSA-N 387.071 4.538 10 50 GJCA O=C1/C(=C/c2cc(Cl)ccc2O)SC(=S)N1CCCc1ccccc1 1157150 DDQHMRWDLOQNGW-ATVHPVEESA-N 389.929 4.880 10 50 GJCA CC(C)Cn1cc(/C=C2\C(=O)N(C3CCCCC3)C(=O)N=C2O)c2ccccc21 2587745 IEYLKIHMKIKNLQ-UNOMPAQXSA-N 393.487 4.932 10 50 GJCA COc1ccccc1-n1c(/C=C/c2ccc(N(C)C)cc2)nc2ccccc2c1=O 4728991 KWZAFMIQOCMYHO-SAPNQHFASA-N 397.478 4.631 10 50 GJCA CCOc1cccc(/C=C2\SC(=S)N(CCC3CCCCC3)C2=O)c1O 15011202 QOUZVGFWWQRHTG-LGMDPLHJSA-N 391.558 4.963 10 50 GJCA CC(C)CC(=O)N[C@@H](c1cccc([N+](=O)[O-])c1)c1c(O)ccc2ccccc12 801032 ULMIGBBHDBXDDR-QFIPXVFZSA-N 378.428 4.705 10 50 GJCA Cc1cccc(N[C@H](c2ccc3c(c2)OCO3)c2ccc3ccc(C)nc3c2O)n1 4164774 ASZDPGHRTDVQCH-JOCHJYFZSA-N 399.450 4.882 10 50 GJCA CC(=O)N1N=C(c2ccc(O)cc2)C[C@H]1c1ccc(OCc2ccccc2)cc1 4247916 LIYSJJYEQVFMJQ-DEOSSOPVSA-N 386.451 4.669 10 50 GJCA C[C@H](NC(=O)CN(Cc1ccccc1O)C1CCCC1)c1ccccc1Cl 731847063 BPVBSGPLQNCCRS-INIZCTEOSA-N 386.923 4.668 10 50 GJCA Cc1cnc(O)n1-c1ccc([C@H](C)N[C@H](C)c2cc3c(cc2O)CCCC3)cc1 2325734840 XGPPHBLVXZFTNM-DLBZAZTESA-N 391.515 4.883 10 50 GJCA CCOC(=O)c1c(CSc2ccccc2)oc2ccc(O)c(CN(C)C)c12 634225 FWOMJMKPXGUDOG-UHFFFAOYSA-N 385.485 4.669 10 50 GJCA COc1ccc2c(c1)S[C@H](c1ccc(F)cc1F)CCN2Cc1ncc[nH]1 12245889 JKBQJZMKWNGEIZ-SFHVURJKSA-N 387.455 4.940 10 50 GJCA CCCCOc1cccc(/C=C2/SC(Nc3cccc(C(=O)O)c3)=NC2=O)c1 20109823 MMMCETRTCDVAIE-LDADJPATSA-N 396.468 4.646 10 50 GJCA COc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)N=C2C)ccc1OCC(C)C 4844622 SJUOSSQHGKFNAZ-YBFXNURJSA-N 382.435 4.675 10 50 GJCA CCOc1ccc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc1OC 13552767 SUXUBSCPDJGLIK-PDGQHHTCSA-N 385.510 4.808 10 50 GJCA CC[C@@H]1CCCCN1Cc1c(O)ccc2c(=O)c(-c3ccccc3OC)coc12 19790385 OPXBESCOSXERIC-MRXNPFEDSA-N 393.483 4.939 10 50 GJCA CC(C)c1ccc(OCCOc2ccccc2/C=C2\SC(=S)NC2=O)cc1 22310337 ONYHHQQCUAZDNP-UYRXBGFRSA-N 399.537 4.757 10 50 GJCA CCc1ccc(N2C(=O)/C(=C/c3ccc(OC(C)=O)cc3)SC2=S)cc1 1136528 BYINUGUXHMPESI-PDGQHHTCSA-N 383.494 4.580 10 50 GJCA O=C(O)CC/C(=C1\C=C(c2ccc(Cl)cc2)NC1=O)c1ccc(Cl)cc1 2496848 BTXITMQNZMNSAE-MSUUIHNZSA-N 388.250 4.783 10 50 GJCA CCOc1cc(/C=C2\SC(Nc3ccc(C)c(Cl)c3)=NC2=O)ccc1O 19925491 CHZHGJAMNIWXBF-MFOYZWKCSA-N 388.876 4.835 10 50 GJCA CCOc1ccc(N/C=C2\Sc3scc(-c4ccccc4)[n+]3C2=O)cc1 102308748 DXPSSCKWPGUDSP-UHFFFAOYSA-O 381.502 4.801 10 50 GJCA Cc1cc(C)cc(NC(=O)[C@H]2CC23CCN(Cc2cc(Cl)ccc2O)CC3)c1 11968859 XRRDRQDEKCFARW-HXUWFJFHSA-N 398.934 4.903 10 50 GJCA Oc1cccnc1N[C@H](c1ccc(Cl)cc1)c1ccc2cccnc2c1O 49757088 KKYHNYRUBSYTCZ-GOSISDBHSA-N 377.831 4.896 10 50 GJCA in-vitro O=C(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2)N1CCOCC1 250233958 CLWRPOOIPCVOTC-DXIQSLLYSA-N 394.902 4.639 10 50 GJCA Cc1cc(C(=O)N[C@@H]2CCC[C@@H](C(=O)O)CC2)c(C)n1-c1ccc(C(C)C)cc1 1875354496 XZVDHVLDEJBQMA-WOJBJXKFSA-N 396.531 4.981 10 50 GJCA CC[C@]1(O)[C@H](C)[C@@H](c2ccc(N(C)C)cc2)N[C@@H](c2ccc(N(C)C)cc2)[C@H]1C 239331265 KJQBZHDKPAMYIE-YPHZUOLQSA-N 395.591 4.618 10 50 GJCA CCOc1cc(/C=C2\SC(=S)N(c3cccc(C)c3C)C2=O)ccc1O 1211067 HPCPVUGNGFJESO-WQRHYEAKSA-N 385.510 4.814 10 50 GJCA CCC1(O)[C@H](C)[C@H](c2ccc(N(C)C)cc2)N[C@@H](c2ccc(N(C)C)cc2)[C@H]1C 239331263 KJQBZHDKPAMYIE-MCJPXMOYSA-N 395.591 4.618 10 50 GJCA CCOc1ccc(N2C(=O)/C(=C/c3c[nH]c4ccccc34)SC2=S)cc1 1209494 WYCUPFNZOFINFQ-WQRHYEAKSA-N 380.494 4.972 10 50 GJCA O=C1/C(=C\c2c(F)cccc2Cl)SC(=S)N1CCc1ccccc1 19800044 MFQAECOQKMZRSV-LFIBNONCSA-N 377.893 4.923 10 50 GJCA CCc1cccc(C)c1N1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S 1136018 SKRPTOCQIKHQDH-WJDWOHSUSA-N 384.482 4.871 10 50 GJCA Cc1cc(Cl)ccc1OC(=O)c1ccc(C(=O)C(=O)c2ccccc2)cc1 1779849 OVAXCRKIKFWZQO-UHFFFAOYSA-N 378.811 4.933 10 50 GJCA COc1ccccc1[C@H]1CN(Cc2c(O)cccc2OC)Cc2ccccc2O1 20910735 DLAVEMMBYVWVFT-XMMPIXPASA-N 391.467 4.545 10 50 GJCA CCCCSc1nnc2c(n1)O[C@H](c1ccccc1O)Nc1ccccc1-2 2057032 WDGGLTNSKRCZLU-GOSISDBHSA-N 380.473 4.640 10 50 GJCA COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12 3812923 XCPGHVQEEXUHNC-UHFFFAOYSA-N 393.468 4.512 10 50 GJCA biogenic,world O=C1C[C@@H](c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)CN1Cc1cccnc1 19145248 DRAMROYGKORHCT-OAQYLSRUSA-N 394.478 4.655 10 50 GJCA O=C1C(c2ccccc2)=S=C2N=C(c3ccccc3)c3cc(Cl)ccc3N12 334157885 AOUYODBNMDDWTH-UHFFFAOYSA-N 388.879 4.579 10 50 GJCA CN(C)C(=O)c1cccc2c1N[C@H](c1ccc(Br)cc1)[C@H]1CC=C[C@@H]21 1102663 QFVKLZGECVOENR-JTDSTZFVSA-N 397.316 4.977 10 50 GJCA CCCCC(=O)N[C@@H](c1ccc(OC)cc1)c1cc(Cl)c2cccnc2c1O 2812832 PZIGIJXIFUBGOH-FQEVSTJZSA-N 398.890 4.998 10 50 GJCA O=C1NC(=S)S/C1=C\c1cccc(OCc2c(F)cccc2Cl)c1 16225701 HYCAPMVKEYHWAJ-NVNXTCNLSA-N 379.865 4.547 10 50 GJCA O=C(O)CCc1ccc(-c2cccs2)n1-c1cccc(Br)c1 1150529 VFQANOSHZNCMMM-UHFFFAOYSA-N 376.275 4.986 10 50 GJCA C[C@@H]1Oc2ccccc2C=C1/C=C1\SC(=S)N(CCc2ccccc2)C1=O 15798909 LKLNVJSWQQXHKA-CPOQMQJTSA-N 393.533 4.838 10 50 GJCA Cc1ccc(C)c(OCCOc2cccc(/C=C3\SC(=S)N(C)C3=O)c2)c1 5102367 OQVSHCMDALHXKS-UYRXBGFRSA-N 399.537 4.592 10 50 GJCA Cc1cccc(C)c1OCCCOc1cccc(/C=C2/SC(=S)NC2=O)c1 2878518 YKDNOJKULAQLFU-QGOAFFKASA-N 399.537 4.640 10 50 GJCA COc1ccc2c(c1)N(C)/C(=C\C=C\c1sc3ccc(OC)cc3[n+]1C)S2 247832962 LVDWEVPJGLYMLN-UHFFFAOYSA-N 397.545 4.840 10 50 GJCA CC[C@@]1(C)C[C@](CCNCc2ccccc2O)(c2ccc(OC)cc2)CCO1 4029064 JIQAHUHUQCSDSD-BJKOFHAPSA-N 383.532 4.798 10 50 GJCA biogenic COc1ccccc1[C@@H]1CN(Cc2c(O)cccc2OC)Cc2ccccc2O1 20910731 DLAVEMMBYVWVFT-DEOSSOPVSA-N 391.467 4.545 10 50 GJCA CC(=O)Nc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 16156281 PHKGXWZNJHZHHP-YBEGLDIGSA-N 388.901 4.704 10 50 GJCA COc1ccc(N2CCN(C(=S)Nc3cc(Cl)ccc3Cl)CC2)cc1 17080958 JYCPGVREZAXMDZ-UHFFFAOYSA-N 396.343 4.521 10 50 GJCA Cc1ccc(N2C(=O)N=C(O)/C(=C\c3cc(Cl)c(O)c(Cl)c3)C2=O)cc1 8742368 LKUKBMXNOKYYCJ-WUXMJOGZSA-N 391.210 4.514 10 50 GJCA Cc1ccc(N2C(=O)/C(=C/c3ccc(Br)o3)SC2=S)cc1 1160121 QMCMTVVYIZUPPV-WQLSENKSSA-N 380.288 4.756 10 50 GJCA Cc1ccnc(N[C@@H](c2ccccc2[N+](=O)[O-])c2ccc3cccnc3c2O)c1 1171698 LQKHZFASLJFUJQ-NRFANRHFSA-N 386.411 4.754 10 50 GJCA CCCC(=O)N[C@@H](c1ccc(Cl)cc1)c1cc([N+](=O)[O-])c2cccnc2c1O 4844873 QYTDJFIAPKSMEO-SFHVURJKSA-N 399.834 4.508 10 50 GJCA O=C(O)CCc1ccc(-c2ccc(Br)cc2)n1-c1ccccc1O 4151215 LWMHWURMKNUKQS-UHFFFAOYSA-N 386.245 4.630 10 50 GJCA CC(C)(C)C1=NN(c2ccccc2)C(=O)C1=CC=Cc1ccc([N+](=O)[O-])cc1 2049243852 ZVLRRPQGJPIJSP-UHFFFAOYSA-N 375.428 4.983 10 50 GJCA COc1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1Cl 15010719 WEPMEJNETTVQPK-ATVHPVEESA-N 389.929 4.793 10 50 GJCA O=C1C(C23CC4CC(CC(C4)C2)C3)C(=O)N(c2ccccc2)N1c1ccccc1 100301154 KJUJZBCNDZBMFW-UHFFFAOYSA-N 386.495 4.814 10 50 GJCA COc1ccccc1[C@]1(CCNCc2ccc(N(C)C)cc2)CCOC(C)(C)C1 3999245 OAVTYOIOESAJKW-RUZDIDTESA-N 396.575 4.768 10 50 GJCA biogenic Cc1ccc2ccc([C@@H](Nc3ccccn3)c3ccc([N+](=O)[O-])cc3)c(O)c2n1 4755409 RPNDUXSAUMEQGW-FQEVSTJZSA-N 386.411 4.754 10 50 GJCA O=C1N=C(Nc2ccc(F)cc2)S/C1=C/c1ccc(Br)cc1 1217229 VUSZUVKODXKPJZ-NTEUORMPSA-N 377.238 4.671 10 50 GJCA COc1ccc(Cl)c(NC2=NC(=O)/C(=C\c3c[nH]c4ccccc34)S2)c1 16192683 YQZQYFLUTXKJOV-CAOOACKPSA-N 383.860 4.912 10 50 GJCA COc1ccc(/C=C2\SC(=S)N(CCC3CCCCC3)C2=O)c(OC)c1 1133699 MIEUXUQWMFSBLM-PDGQHHTCSA-N 391.558 4.875 10 50 GJCA O=C(O)CCCCCN1C(=O)/C(=C\c2cccc3ccccc23)SC1=S 1916919 PKMHMWGVNCYMTB-GHRIWEEISA-N 385.510 4.686 10 50 GJCA CCOc1ccc(C=C2C(=O)OC(C)(c3ccccc3)OC2=O)c2ccccc12 2812333 LNVRIULQONJMEM-UHFFFAOYSA-N 388.419 4.595 10 50 GJCA Cc1ccc(C)c(OCCOc2ccc(/C=C3\SC(=S)N(C)C3=O)cc2)c1 22228955 GFYNLDVLFYKZQE-UYRXBGFRSA-N 399.537 4.592 10 50 GJCA CCc1cc2c(=O)c(-c3nc4ccccc4s3)c(C)oc2c(CN(C)C)c1O 38528033 ADXDZPMECNDKCE-UHFFFAOYSA-N 394.496 4.708 10 50 GJCA O=[N+]([O-])c1ccc([C@@H]2Nc3c(O)cc(Cl)c([N+](=O)[O-])c3[C@@H]3C=CC[C@@H]32)cc1 169688982 WZGYQFWANGEGHU-WQGACYEGSA-N 387.779 4.689 10 50 GJCA OCC[C@H](NCc1ccc2c(c1)CCN2Cc1ccccc1)c1cccs1 796313897 XWQQYYLRCNFEMP-NRFANRHFSA-N 378.541 4.524 10 50 GJCA O=C1N=C(N2CCN(c3cccc4ccccc34)CC2)S/C1=C\c1ccccc1 950640 RFNUJXXVKYJWIG-XLNRJJMWSA-N 399.519 4.632 10 50 GJCA CC(=O)c1ccc(N2C(=O)/C(=C/c3ccccc3F)N=C2c2ccccc2)cc1 4525389 ILTTZJNKKHNGAZ-JCMHNJIXSA-N 384.410 4.863 10 50 GJCA CCCCOc1cc([N+](=O)[O-])c(OCCCC)cc1N(C)C[C@@H]1CCCO1 5193172 XCQBMQVVMZIJLZ-INIZCTEOSA-N 380.485 4.568 10 50 GJCA COc1ccc(/C=C2\SC(=S)N(c3cccc(C)c3C)C2=O)cc1OC 1086567 WGCWUXUYFNLURP-WQRHYEAKSA-N 385.510 4.726 10 50 GJCA CCN1C(=O)/C(=C\c2ccc(OCCCOc3ccccc3)cc2)SC1=S 4725614 SEJKEQQZPXJCIR-XDJHFCHBSA-N 399.537 4.756 10 50 GJCA COc1ccc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)cc1OC 1087670 YFFUUXSGDJRMRK-CYUIRQCWSA-N 385.510 4.666 10 50 GJCA CCCCCN1C(=O)/C(=C2/C(=O)N(CCCC)c3ccccc32)SC1=S 2672913 ZUGSTPKPEBTJIW-MSUUIHNZSA-N 388.558 4.595 10 50 GJCA CC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N3C[C@H]1CC=C[C@@H]21 239402678 QZEVZHPZXRMEDG-PLNGWDEDSA-N 385.482 5.923 10 50 GJCA CCC(=O)N[C@@H](c1ccc(Cl)cc1)c1cc(Cl)c2cccnc2c1O 869282 LINXHMFDDAUTFG-KRWDZBQOSA-N 375.255 4.863 10 50 GJCA COc1ccc(-n2c(CCC(=O)O)ccc2-c2ccc(Cl)cc2)c(OC)c1 1139617 QQMAHEHSHZXONN-UHFFFAOYSA-N 385.847 4.832 10 50 GJCA CC(C)=CCc1c(O)cc2oc3cc(O)c(O)c(CC=C(C)C)c3c(=O)c2c1O 5195818 VEZXFTKZUMARDU-UHFFFAOYSA-N 396.439 4.786 10 50 GJCA endogenous,in-man Cc1cc(C)cc(OCCOc2ccc(/C=C3\SC(=S)N(C)C3=O)cc2)c1 22229157 IGVNSULZGDJXFW-UYRXBGFRSA-N 399.537 4.592 10 50 GJCA OCC[C@@H](NCc1ccc2c(c1)CCN2Cc1ccccc1)c1cccs1 796313899 XWQQYYLRCNFEMP-OAQYLSRUSA-N 378.541 4.524 10 50 GJCA CN(C)C(=O)c1cccc2c1N[C@H](c1ccc(Br)cc1)[C@@H]1CC=C[C@@H]21 15240534 QFVKLZGECVOENR-GPMSIDNRSA-N 397.316 4.977 10 50 GJCA COc1ccc(N2CCC(N3CCC[C@@H]3c3ccc(CN(C)C)cc3)CC2)cc1 1506396015 GBIYIRVWHWZWFJ-RUZDIDTESA-N 393.575 4.563 10 50 GJCA CCCCC(=O)N[C@H](c1ccc(OC)cc1)c1cc(Cl)c2cccnc2c1O 2812833 PZIGIJXIFUBGOH-HXUWFJFHSA-N 398.890 4.998 10 50 GJCA CCOCc1cc(CN[C@@H](C)c2cnn(-c3ccccc3)c2C)ccc1OC 12704607 MYBDMOVKFLYFMP-KRWDZBQOSA-N 379.504 4.577 10 50 GJCA CN(C)c1ccc(CN(C(=O)c2cc(-c3ccccc3)on2)c2ccccn2)cc1 28292525 HZCGBRHMQNVINU-UHFFFAOYSA-N 398.466 4.650 10 50 GJCA CCN1/C(=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)C=Cc2ccccc21 100854223 MCMSMFPAGAROFX-VHEBQXMUSA-N 394.521 4.825 10 50 GJCA O=C1NC(=S)S/C1=C/c1cc(Cl)ccc1OCc1ccccc1F 1219786 AQUAPCRSHHONHO-OVCLIPMQSA-N 379.865 4.547 10 50 GJCA COc1ccc(/C=C2\C(=O)N(c3ccc(Cl)cc3Cl)N=C2C)cc1OC 5008579 NWDLDIHXKGJYBS-ZSOIEALJSA-N 391.254 4.817 10 50 GJCA O=C(Nc1ccc(-c2ccco2)cc1)[C@H]1CCCN(Cc2ccccc2O)C1 39358086 KEVOERSWOZWCEO-IBGZPJMESA-N 376.456 4.503 10 50 GJCA CC(C)CC(=O)N[C@H](c1ccc([N+](=O)[O-])cc1)c1c(O)ccc2ccccc12 801037 LIURNHRZIXEXIT-JOCHJYFZSA-N 378.428 4.705 10 50 GJCA COc1ccc(/C=C2/C(=O)N(c3cccc(C(F)(F)F)c3)N=C2C)cc1OC 4747625 TYJIOPXNGBWZPB-CXUHLZMHSA-N 390.361 4.529 10 50 GJCA N=C1/C(=C/c2ccc(-c3ccccc3)o2)C(=O)N=C2SC(c3ccccc3)=NN12 5102279 DUSXQOGHFLNJPC-JSIBOBQWSA-N 398.447 4.614 10 50 GJCA O=C1/C(=C/c2ccc(O)c(O)c2)SC(=S)N1c1ccc(Cl)cc1Cl 22309858 DHLGAYKSLLPARE-NSIKDUERSA-N 398.292 4.810 10 50 GJCA COc1cccc(O)c1CN1CCC[C@H](c2n[nH]cc2-c2ccc(Cl)cc2)C1 43083234 NEZNQPFRNYFALO-INIZCTEOSA-N 397.906 4.824 10 50 GJCA CCn1ccc2ccc(-c3c(-c4ccccc4)ncn3Cc3nnc(C)o3)cc21 65406084 JYERYMBTHRYCFK-UHFFFAOYSA-N 383.455 4.931 10 50 GJCA COc1cccc(/C=C2/C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)c1O 1188383 JAVMHXOTFVMGAM-MDWZMJQESA-N 377.227 4.514 10 50 GJCA COc1ccc([N+](=O)[O-])cc1-n1c(-c2ccc(C)c(C)c2)cc(C(=O)O)c1C 4237781 CKZDGNNNDJGYPJ-UHFFFAOYSA-N 380.400 4.685 10 50 GJCA CN(C)Cc1c(O)ccc2c(=O)c(-c3ccc(Cl)cc3)c(C(F)(F)F)oc12 19791511 YKOKWJNZHIUVPU-UHFFFAOYSA-N 397.780 4.899 10 50 GJCA CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccc(-c2ccccc2F)o1 100510859 UIQLVASACOZBNN-LDADJPATSA-N 390.370 4.590 10 50 GJCA CCOC(=O)C1=C(C)N=C2c3ccccc3C(=O)[C@H]2[C@@H]1c1ccc(Cl)cc1 19733262 IPQWVKCFKOWFSG-MOPGFXCFSA-N 379.843 4.576 10 50 GJCA O=C1c2ccccc2-c2onc3c(Br)cc(Br)c1c23 850490 QBUSQHSUWRIYDP-UHFFFAOYSA-N 379.007 4.564 10 50 GJCA CCOCc1cc(CN[C@@H](C)c2cnn(-c3cccc(F)c3)c2C)ccc1OC 12200084 QXHBIHGWOOUROD-INIZCTEOSA-N 397.494 4.716 10 50 GJCA CCCCSc1nnc2c(n1)O[C@@H](c1ccccc1O)Nc1ccccc1-2 2057033 WDGGLTNSKRCZLU-SFHVURJKSA-N 380.473 4.640 10 50 GJCA CCCC1=NN2C(=N)/C(=C/c3ccc(-c4ccc(F)cc4)o3)C(=O)N=C2S1 4811368 VMIZPFMMKOKITQ-QBILMKHKSA-N 382.420 4.505 10 50 GJCA O=C1/C(=C\c2cccc(O)c2)SC(=S)N1c1cccc(C(F)(F)F)c1 1194075 GJOOOSPLPCJMGC-RIYZIHGNSA-N 381.400 4.817 10 50 GJCA CCCc1ccc(CNCc2ccc(OC)c(COC3CCOCC3)c2)cc1 1875257185 GXQGUMUCMABNOX-UHFFFAOYSA-N 383.532 4.633 10 50 GJCA Cc1ccc(-c2ccc(/C=C3/SC(=S)N(C)C3=O)o2)c(Br)c1 1204162 PIWYWNNNNSAVBO-RIYZIHGNSA-N 394.315 4.849 10 50 GJCA O=C(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2)N1CCOCC1 226722063 CLWRPOOIPCVOTC-XQBPLPMBSA-N 394.902 4.639 10 50 GJCA O=C(O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N3C[C@H]1CC=C[C@@H]21 239274959 AZRBPQNKAPCMOS-QKZKXAEISA-N 387.454 5.418 10 50 GJCA CC(=O)Nc1ccc(C=C2SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 1857666830 PHKGXWZNJHZHHP-UHFFFAOYSA-N 388.901 4.704 10 50 GJCA Cc1oc2c(CN3CCCC3)c(O)ccc2c(=O)c1-c1nc2ccccc2s1 2667133 AQRVLANKVSZHSJ-UHFFFAOYSA-N 392.480 4.680 10 50 GJCA biogenic O=C(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2)N1CCCC1 169697253 JXOIIPFRFQUXMS-XQBPLPMBSA-N 389.455 4.657 10 50 GJCA CN(C)C(=O)c1cccc2c1N[C@H](c1ccc(Br)cc1)[C@@H]1CC=C[C@H]21 4142718 QFVKLZGECVOENR-FRQCXROJSA-N 397.316 4.977 10 50 GJCA Fc1cc(F)c(F)c(OCc2nc(-c3ccc(-n4cccc4)cc3)no2)c1F 1423379 KHCPCZAJGALSBH-UHFFFAOYSA-N 389.308 4.663 10 50 GJCA O=C1/C(=C/c2c[nH]nc2-c2ccccc2)SC(=S)N1CCc1ccccc1 2195437 ZKTXXFQIOGMVTN-AQTBWJFISA-N 391.521 4.521 10 50 GJCA COc1cccc(-n2c(/C=C/c3ccc(N(C)C)cc3)nc3ccccc3c2=O)c1 4543583 OLAVATCFCGUZCR-DTQAZKPQSA-N 397.478 4.631 10 50 GJCA O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(F)c(F)cc1Cl 5948345 CVVUCRUVMMQCTK-UHFFFAOYSA-N 397.764 4.646 10 50 GJCA COc1cc(C)c(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1OC 1131514 ZEECDBPBRCQTBA-ODLFYWEKSA-N 399.537 4.722 10 50 GJCA COc1ccc(N2CCN(C(=S)c3ccc(-c4ccccc4)cc3)CC2)cc1 2871245 PFOQFSDCRLSQQE-UHFFFAOYSA-N 388.536 4.860 10 50 GJCA CCOc1ccccc1NC(=O)c1c(NCc2ccccn2)sc2c1CCC2 920856 UXQZRAOCIUXEKL-UHFFFAOYSA-N 393.512 4.895 10 50 GJCA O=C(N[C@H](c1ccccc1)c1cc(Cl)c2cccnc2c1O)c1cccnc1 17360755 QDYVWPBPZWJQMG-LJQANCHMSA-N 389.842 4.508 10 50 GJCA CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@@H]1/N=N/c1cccc(O)c1 100345514 PNRJHXQNMQTJEC-KGNHYALCSA-N 391.456 4.699 10 50 GJCA Cc1nc2cc(NCc3cc([N+](=O)[O-])ccc3O)ccc2n1Cc1ccccc1 169364949 HSCUDSYIDYCLPT-UHFFFAOYSA-N 388.427 4.619 10 50 GJCA CCOc1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)SC2=S)cc1 5178519 DDYBRHBWQWKDJY-QGOAFFKASA-N 384.526 4.557 10 50 GJCA Cc1ccccc1-c1c(C(F)(F)F)oc2c(C)c(O)c(CN(C)C)cc2c1=O 1158990 HCTURZHVKHIMTI-UHFFFAOYSA-N 391.389 4.863 10 50 GJCA COc1ccc2c(c1)c(=O)oc1c(C)c(O[C@H](C)C(=O)c3ccccc3)ccc12 1183681 XRFSCPCLTGLABK-OAHLLOKOSA-N 388.419 4.913 10 50 GJCA biogenic CC(C)(C)c1ccc(/C=C2/SC(=S)N(CCCCCC(=O)O)C2=O)cc1 2553828 HVWOPZUDFYNAFC-DTQAZKPQSA-N 391.558 4.830 10 50 GJCA COc1ccc(OC)c(-c2ccc(O)c(CN3CCc4ccccc4C3)c2)c1 12190179 LSYZPZOILNMCEJ-UHFFFAOYSA-N 375.468 4.635 10 50 GJCA CCN(CC)c1ccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c(OC)c1 1180449 AMXHOKTWZNMWRF-UYRXBGFRSA-N 382.485 4.782 10 50 GJCA O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1CNc1ccccc1Cl 195774005 QITXCFADGVIDIY-DHDCSXOGSA-N 378.881 4.750 10 50 GJCA O=C1/C(=C/c2ccc(O)c(Cl)c2)SC(=S)N1CCCc1ccccc1 1138298 XUWXISZSQCDUCX-ATVHPVEESA-N 389.929 4.880 10 50 GJCA Cc1cc(Cl)ccc1NC(=O)c1ccc(C(=O)C(=O)c2ccccc2)cc1 1777503 FEOIWXFGLSZHMG-UHFFFAOYSA-N 377.827 4.966 10 50 GJCA COc1cc([N+](=O)[O-])cc(CN(CCc2ccccc2)Cc2ccccc2)c1O 759077 OCCXKQWISOKWDY-UHFFFAOYSA-N 392.455 4.554 10 50 GJCA CCOCc1cc(CN[C@H](C)c2cnn(-c3ccccc3)c2C)ccc1OC 12704612 MYBDMOVKFLYFMP-QGZVFWFLSA-N 379.504 4.577 10 50 GJCA CCOc1cc(/C=C2\SC(=S)N(CCCc3ccccc3)C2=O)ccc1O 1137498 WKTYYOFRQOPYIM-RGEXLXHISA-N 399.537 4.625 10 50 GJCA CN(C)c1ccc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1 2825544 LFPBYQAXAFCQKJ-CXUHLZMHSA-N 392.908 4.951 10 50 GJCA Cc1ccc(OCCOc2ccccc2/C=C2\SC(=S)N(C)C2=O)c(C)c1 5102431 TZOIMDYALSCWES-UYRXBGFRSA-N 399.537 4.592 10 50 GJCA COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1cccs1 1078045 JSUJHEZUGFPAOV-GDNBJRDFSA-N 393.386 4.644 10 50 GJCA CN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)SC1=S 5674991 KLCBPUHSDVOQSZ-GZTJUZNOSA-N 395.484 4.509 10 50 GJCA COc1cccc(C2=NN(C(=O)c3cccs3)[C@@H](c3cccs3)C2)c1O 170615253 HNHMAIZEQRAYLJ-CQSZACIVSA-N 384.482 4.515 10 50 GJCA Cc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3cccc(C)c3)C2=O)cc1 13573537 LDALRVXDLIHNSO-AQTBWJFISA-N 396.537 4.533 10 50 GJCA C[C@@H](COc1ccccc1)COc1ccccc1/C=C1/SC(=S)N(C)C1=O 1181493 KHELLLLIXXNPNH-UZUMKDMXSA-N 399.537 4.612 10 50 GJCA COc1ccc(N2C(=O)/C(=C/c3c(C)[nH]c4ccccc34)SC2=S)cc1 18190367 ZCIALKBOJLRMQM-WQRHYEAKSA-N 380.494 4.891 10 50 GJCA O=C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)OC1CCCCC1 952279 ODWKPHMSNGAZTH-UHFFFAOYSA-N 378.424 4.715 10 50 GJCA COC(=O)c1ccc(COc2ccc3c(-c4ccccc4)cc(=O)oc3c2C)o1 1147482 SATARCXMFIJUBO-UHFFFAOYSA-N 390.391 4.727 10 50 GJCA biogenic Cc1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc1[N+](=O)[O-] 1148205 RJMGQXYYDCHYLE-OVCLIPMQSA-N 390.873 4.962 10 50 GJCA Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2Cc3cnn(-c4ccccc4)c3C2)c1 1875329884 IJBOYVJLIKJCMF-UHFFFAOYSA-N 396.494 4.744 10 50 GJCA O=C1N=C(Nc2cccc(Cl)c2Cl)S/C1=C\c1ccc([N+](=O)[O-])cc1 12032565 BXURRECLRWVEQO-JYRVWZFOSA-N 394.239 4.984 10 50 GJCA COc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1OC 1009750 PWUAGYCEUXVQGG-MHWRWJLKSA-N 391.901 4.763 10 50 GJCA O=S(=O)(O)c1cccc2cccc(/N=N\c3ccc(O)c4ncccc34)c12 5716755 GSKZELLAORVLLX-DQRAZIAOSA-N 379.397 4.756 10 50 GJCA COc1ccc(OC)c(/C=C2\SC(Nc3cccc(Cl)c3C)=NC2=O)c1 8277355 JOIXXOSDLBQECH-YVLHZVERSA-N 388.876 4.748 10 50 GJCA Cc1cc(C)cc(N2C(=O)N=C(O)/C(=C\c3cccn3-c3ccccc3)C2=O)c1 1173012 WYMGWKSXJRAELN-XSFVSMFZSA-N 385.423 4.601 10 50 GJCA COc1ccc(OC)c([C@@H]2Nc3c(Cl)ccc(C(=O)O)c3[C@@H]3C=CC[C@H]32)c1 13152840 NFQIZAIUORKUBD-VLXJIEOASA-N 385.847 4.882 10 50 GJCA Cc1ccsc1C(=O)N1CCN(c2ccc(OCc3ccccc3)cc2)CC1 2782985 GTPIBVKXQNUTEM-UHFFFAOYSA-N 392.524 4.598 10 50 GJCA COc1cccc(CN[C@H]2CC(C)(C)Cc3c2cnn3-c2ccc(F)cc2)c1O 15065688 BYHJFTJFZQPUAY-IBGZPJMESA-N 395.478 4.529 10 50 GJCA O=[N+]([O-])c1ccc(N2N=C(c3ccc(O)cc3)C[C@@H]2c2ccc(F)cc2)cc1 4257508 HPYCSMRZVJTSRQ-OAQYLSRUSA-N 377.375 4.795 10 50 GJCA Cc1cccc(C)c1OCCOc1cccc(/C=C2\SC(=S)N(C)C2=O)c1 22228985 HZFUIRSWHPYSCA-AQTBWJFISA-N 399.537 4.592 10 50 GJCA Cc1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N3C[C@@H]1CC=C[C@H]21 239425995 VOUNWWOTGCOYHY-LBUOEMMASA-N 384.479 5.798 10 50 GJCA CCCSc1nnc2c(n1)O[C@@H](c1ccc(N(C)C)cc1)Nc1ccccc1-2 2911876 YVEJUCSVKVSFOV-IBGZPJMESA-N 393.516 4.610 10 50 GJCA COc1ccc2c(c1)N(C)/C(=C1/SC(=S)N(C3CCCCC3)C1=O)S2 100505403 MGSCGPQFMDAVDP-ICFOKQHNSA-N 392.571 4.599 10 50 GJCA O=C1/C(=C/c2ccc(Br)o2)SC(=S)N1Cc1ccc(F)cc1 1104049 MTQNIROPBRYIIH-GHXNOFRVSA-N 398.278 4.583 10 50 GJCA COCc1cccc(NC2(c3ccc(Cl)cc3)C(=O)c3ccccc3C2=O)c1 1099830 VBPCXDGYPWMEAL-UHFFFAOYSA-N 391.854 4.873 10 50 GJCA COc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)ccc1OCCC(C)C 22258498 VXDWUUMGKHTBKZ-BOPFTXTBSA-N 379.547 4.730 10 50 GJCA Cc1cnc(C)c(-c2ccc(O)c(CN3CC=C(c4ccc(F)cc4)CC3)c2)n1 12454200 FEIYVNFGEZPQJI-UHFFFAOYSA-N 389.474 4.894 10 50 GJCA O=C1NC(=S)S/C1=C\c1cccc(OC(=O)c2cccc3ccccc23)c1 15769805 IJQTXOSIGORDOZ-PDGQHHTCSA-N 391.473 4.548 10 50 GJCA CN(C)C(=O)c1cccc2c1N[C@H](c1ccc(Br)cc1)[C@H]1CC=C[C@H]21 4142715 QFVKLZGECVOENR-TXPKVOOTSA-N 397.316 4.977 10 50 GJCA Cc1cc(C)cc(OCCOc2cccc(/C=C3\SC(=S)N(C)C3=O)c2)c1 5102361 CNQOGGPIILAQGI-UYRXBGFRSA-N 399.537 4.592 10 50 GJCA COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1cccc(Cl)c1 1137501 CJHLXUSMULAQLN-RGEXLXHISA-N 385.891 4.903 10 50 GJCA COc1cccc(C2=NN(C(=O)c3cccs3)[C@H](c3cccs3)C2)c1O 170615252 HNHMAIZEQRAYLJ-AWEZNQCLSA-N 384.482 4.515 10 50 GJCA CCOC(=O)[C@H]1CCCCN1Cc1cc(-c2nc3ccccc3s2)ccc1O 20599976 AIJRPXVDIIKZND-GOSISDBHSA-N 396.512 4.587 10 50 GJCA CC(C)[S@@](=O)c1ccc(C(=O)Nc2cccc(N3CCCCCC3)c2)cc1 170644489 QBJHAPYTSPOHAJ-HHHXNRCGSA-N 384.545 4.835 10 50 GJCA O=C1/C(=C/c2ccccc2F)SC(=S)N1CNc1ccccc1Cl 334161073 SDAOBUNTGQKBBF-DHDCSXOGSA-N 378.881 4.750 10 50 GJCA CCN1/C(=C2/SC(=S)N(c3ccccc3)C2=O)C=Cc2cc(OC)ccc21 100288684 CBSSPOJGCYUDRY-VHEBQXMUSA-N 394.521 4.825 10 50 GJCA CN(C)c1ccc(CNCC[C@@H](c2ccccc2)c2ccc3c(c2)OCO3)cc1 2289908 UVNVEQCDFHIDNB-QHCPKHFHSA-N 388.511 4.793 10 50 GJCA O=C1C[C@@H](c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)CN1Cc1ccccn1 19939716 MPFDOUGFTQETEC-HXUWFJFHSA-N 394.478 4.655 10 50 GJCA O=C1/C(=C\c2c(F)cccc2Cl)SC(=S)N1c1ccc([N+](=O)[O-])cc1 4819856 AILJZEWLLZKSJO-RIYZIHGNSA-N 394.836 4.793 10 50 GJCA CCOC(=O)C1CCN(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)CC1 4988323 OVOXBRRVJMNAKV-UHFFFAOYSA-N 375.553 4.762 10 50 GJCA O=C1/C(=C\c2c(F)cccc2Cl)SC(=S)N1c1cccc([N+](=O)[O-])c1 13546259 UWZCSBMPXRSEIN-RIYZIHGNSA-N 394.836 4.793 10 50 GJCA CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\Nc1nnc(-c2ccccc2)s1 100500482 DNIQNKNDBXKBKI-PDGQHHTCSA-N 389.484 4.540 10 50 GJCA CCN(CC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2 222372226 FAYALEOOHOCRDV-XQBPLPMBSA-N 391.471 4.903 10 50 GJCA Cc1[nH]c2ccccc2c1[C@@H](c1cc(Cl)cc(Cl)c1O)N1CCOCC1 19939161 QUVZHOBLJFFCEX-LJQANCHMSA-N 391.298 4.910 10 50 GJCA COc1cc(/C=C2/C(=O)N(c3ccc(C)cc3)N=C2C)ccc1OCC(C)C 4844907 PBMYVIJJMMXBHK-UDWIEESQSA-N 378.472 4.845 10 50 GJCA COc1ccc(C2=NN(C(=O)c3cccs3)[C@@H](c3cccs3)C2)c(O)c1 252494120 NLTRIXADWRJWBJ-OAHLLOKOSA-N 384.482 4.515 10 50 GJCA Oc1cccnc1N[C@@H](c1ccc(Cl)cc1)c1ccc2cccnc2c1O 49757089 KKYHNYRUBSYTCZ-SFHVURJKSA-N 377.831 4.896 10 50 GJCA in-vitro COc1cc(CN[C@@H](C)c2cccc(C(F)(F)F)c2O)c2ccccc2n1 225408895 ADSJOGRCZCGJET-LBPRGKRZSA-N 376.378 4.819 10 50 GJCA CC(=O)[C@H](/N=N/c1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccccc1Cl 100045260 QTSNFLIDNYOATQ-IWKHNONTSA-N 395.202 4.582 10 50 GJCA in-vitro CC(C)COc1ccc(-c2c3cn[nH]c3nc3c2oc2c(O)c(O)ccc23)cc1 217809193 ALCGSHSVGMEOAZ-UHFFFAOYSA-N 389.411 4.970 10 50 GJCA biogenic Cc1ccnc(N[C@@H](c2ccc3c(c2)OCO3)c2ccc3cccnc3c2O)c1 15015679 QDORQCOMNULDDO-NRFANRHFSA-N 385.423 4.574 10 50 GJCA O=C1/C(=C/c2ccc(Br)o2)SC(=S)N1c1ccc(F)cc1 1159225 KIPRJEVOLYSCRR-XFFZJAGNSA-N 384.251 4.587 10 50 GJCA O=C1NC(=S)S/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 9109884 KCARIPIYMVAJGW-MHWRWJLKSA-N 397.912 4.682 10 50 GJCA Oc1ccc(Cl)cc1CN1CCC[C@H](c2[nH]ncc2-c2cccc(F)c2)C1 20781402 IOHOEJRYVDNTPY-HNNXBMFYSA-N 385.870 4.954 10 50 GJCA COC(=O)c1ccc(N2C(=O)/C(=C/c3cccc(Cl)c3)SC2=S)cc1 1153859 NNIVPRRHDYVGOO-GDNBJRDFSA-N 389.885 4.532 10 50 GJCA COc1ccc(N2C(=O)/C(=C\C=C\c3ccc(N(C)C)cc3)SC2=S)cc1 2916555 RTQIALWBDZNZSA-QZRSKMOPSA-N 396.537 4.723 10 50 GJCA CC(=O)N1N=C(c2ccc(O)cc2)C[C@@H]1c1ccc(OCc2ccccc2)cc1 4247917 LIYSJJYEQVFMJQ-XMMPIXPASA-N 386.451 4.669 10 50 GJCA O=S(=O)(Nc1ccc(O)c(-c2c(O)ccc3ccccc23)c1)c1ccccc1 781555 UUWGREFGSDPMIN-UHFFFAOYSA-N 391.448 4.719 10 50 GJCA Cc1cccc(N[C@@H](c2ccc3c(c2)OCO3)c2ccc3cccnc3c2O)n1 5740603 NGWUXABAUGUHJZ-NRFANRHFSA-N 385.423 4.574 10 50 GJCA CN(C)c1cccc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)c1Cl 16265801 OOOLMDLIDOKTPR-PTNGSMBKSA-N 380.966 4.940 10 50 GJCA CCOc1cc([C@@H](Nc2ccccn2)c2ccc3cccnc3c2O)ccc1O 19842991 HTVCMQHJWJYEJU-OAQYLSRUSA-N 387.439 4.641 10 50 GJCA COc1ccc2c(c1)c(=O)oc1c(C)c(O[C@@H](C)C(=O)c3ccccc3)ccc12 1183680 XRFSCPCLTGLABK-HNNXBMFYSA-N 388.419 4.913 10 50 GJCA biogenic O=C(N[C@@H](c1ccc([N+](=O)[O-])cc1)c1c(O)ccc2ccccc12)c1ccccc1 855827 BGGZYWOTOAUQIO-QHCPKHFHSA-N 398.418 4.973 10 50 GJCA Cc1cc(C)cc(OCCCOc2ccccc2/C=C2/SC(=S)NC2=O)c1 2882400 XSNUXCFLIFVVSJ-CPNJWEJPSA-N 399.537 4.640 10 50 GJCA COc1ccc(S(=O)(=O)O)cc1/N=N/c1ccc(N(C)C)c2ccccc12 5140500 YSWLWOIMNIOBLV-QZQOTICOSA-N 385.445 4.577 10 50 GJCA Cc1ccc(C(=O)c2ccccc2NS(=O)(=O)c2cccc(Cl)c2)cc1 252484723 GFRNFJWNROOJRK-UHFFFAOYSA-N 385.872 4.680 10 50 GJCA CN1C(=O)/C(=C\c2cn(Cc3ccc(F)cc3)c3ccccc23)SC1=S 5090877 BNLLIRHEOMRTKS-VCHYOVAHSA-N 382.485 4.660 10 50 GJCA CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(\C)Nc1cccc(Cl)c1C 18250798 CWHZNXJLXZQUES-LDADJPATSA-N 384.823 4.665 10 50 GJCA C/C(=C1/SC(=S)N(c2ccc(C(=O)O)cc2)C1=O)c1ccc(Cl)cc1 2700337 OWSDOFIYMYHWPL-GDNBJRDFSA-N 389.885 4.834 10 50 GJCA Cc1cc(/C=C2/SC(=O)N(C)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 1101627 OISBXKSEYRNIFQ-OVCLIPMQSA-N 380.391 4.779 10 50 GJCA CCCC(=O)N[C@H](c1ccc(OC)c(OC)c1)c1c(O)ccc2ccccc12 2870204 HELAODKXWJARJK-HSZRJFAPSA-N 379.456 4.568 10 50 GJCA biogenic O=C(CSc1nc2ccccc2nc1-c1ccccc1)c1ccc(O)c(O)c1 334163089 LITFYRUWLGDIMP-UHFFFAOYSA-N 388.448 4.683 10 50 GJCA CCCOc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1OC 16677519 KDXHWSLKLCPGTK-AQTBWJFISA-N 385.510 4.890 10 50 GJCA CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(\C)Nc1ccc(Cl)cc1C 18250797 MGDNEMRAFCVGOX-LDADJPATSA-N 384.823 4.665 10 50 GJCA COC(=O)c1ccccc1N[C@H](c1ccccc1)c1ccc2cccnc2c1O 762975 ZPJOAKSLQZOQOG-OAQYLSRUSA-N 384.435 4.929 10 50 GJCA CCCCC1=NN2C(=N)/C(=C/c3ccc(Cl)cc3Cl)C(=O)N=C2S1 4725343 RNSHXQTWSYGBTQ-UZVPZDMXSA-N 381.288 4.803 10 50 GJCA CCCCc1ccc(NC(=S)N2CCN(c3ccc(OC)cc3)CC2)cc1 2835280 SRUVVUBHDGQYJI-UHFFFAOYSA-N 383.561 4.557 10 50 GJCA O=C1/C(=C\c2cccs2)SC(=S)N1c1cccc(Br)c1 5009685 OAHQWRBAGGWDKT-XYOKQWHBSA-N 382.329 4.916 10 50 GJCA COc1ccc(NC(=O)c2c(NCc3cccnc3)sc3c2CCC3)cc1 798215 OYFBFKPQXDRZTP-UHFFFAOYSA-N 379.485 4.505 10 50 GJCA Cc1ccc(OCCOc2ccc(/C=C3\SC(=S)N(C)C3=O)cc2)c(C)c1 22228852 AHNWUFCZXIKGOF-UYRXBGFRSA-N 399.537 4.592 10 50 GJCA COc1ccc(O)c([C@@H](C)NC(=O)c2cc3c(s2)-c2ccccc2CC3)c1 170621240 PEXLIJYTQSIQHG-CYBMUJFWSA-N 379.481 4.719 10 50 GJCA COc1ccc2c(c1)c(=O)oc1c(C)c(OCc3ccccc3OC)ccc12 1155955 VJIRYFDDXYWMAC-UHFFFAOYSA-N 376.408 4.851 10 50 GJCA biogenic Cc1cc(/C=C2\C(=O)N(Cc3ccco3)C(=O)N=C2O)c(C)n1C1CCCCC1 15800033 BEZNITMERCOOHX-UNOMPAQXSA-N 395.459 4.705 10 50 GJCA Cn1cc(/C=C2\C(=O)N(c3ccccc3Cl)C(=S)N=C2O)c2ccccc21 17160440 WDSBTCIKRCVGIR-UVTDQMKNSA-N 395.871 4.503 10 50 GJCA O=C(c1ccccc1)c1ccccc1NC(=S)Nc1ccc([N+](=O)[O-])cc1 5041589 RMFWIBXAEDTZDU-UHFFFAOYSA-N 377.425 4.635 10 50 GJCA CCOc1cc([C@H](Nc2ccccn2)c2ccc3cccnc3c2O)ccc1O 19842992 HTVCMQHJWJYEJU-NRFANRHFSA-N 387.439 4.641 10 50 GJCA C[C@H]1Oc2ccccc2C=C1/C=C1\SC(=S)N(Cc2ccccc2)C1=O 16156658 JCQGIVSDDJGSEY-VCRXTVNUSA-N 379.506 4.795 10 50 GJCA COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccc(C(=O)O)cc1)N2 111478310 OXEWPAVNHQWPFP-HBUWYVDXSA-N 383.831 4.651 10 50 GJCA CC(=O)Oc1ccc(Cl)cc1/C=C1\C=C(c2ccc(Cl)cc2)OC1=O 2873519 BRVIRHUGELONLB-RIYZIHGNSA-N 375.207 4.900 10 50 GJCA COc1ccccc1-c1coc2c(CN3[C@@H](C)CCC[C@@H]3C)c(O)ccc2c1=O 19790389 HITBXRASXIBMQP-HOTGVXAUSA-N 393.483 4.937 10 50 GJCA Cc1ccc2c(c1)C(C)(C)[C@@]1(/C=C/c3ccc(N(C)C)cc3)N=C(O)CCN21 707289 UXNSSCNZYKLMHJ-ZOBSEURRSA-N 375.516 4.929 10 50 GJCA biogenic O=c1c2ccccc2nc(/C=C/c2ccccc2[N+](=O)[O-])n1CCc1ccccc1 4949342 TXJCWRIONDXCHM-CCEZHUSRSA-N 397.434 4.718 10 50 GJCA Oc1ccccc1CN(Cc1cccnc1)C[C@@H]1CCCN(C2CCCCC2)C1 12308900 QGKBCLGNKHSZCD-QFIPXVFZSA-N 393.575 4.834 10 50 GJCA CC(C)CC(=O)N[C@@H](c1ccc([N+](=O)[O-])cc1)c1c(O)ccc2ccccc12 801036 LIURNHRZIXEXIT-QFIPXVFZSA-N 378.428 4.705 10 50 GJCA O=C(COc1ccccc1)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12 943242 BXYRYLJIIOSAOP-RUZDIDTESA-N 383.447 4.830 10 50 GJCA O=[N+]([O-])c1ccc(N2N=C(c3ccc(O)cc3)C[C@H]2c2ccc(F)cc2)cc1 4257507 HPYCSMRZVJTSRQ-NRFANRHFSA-N 377.375 4.795 10 50 GJCA O=C1/C(=C/c2ccc3c(c2)OCO3)SC(=S)N1CCC1CCCCC1 1147506 CREAGJJJZVLPHZ-BOPFTXTBSA-N 375.515 4.587 10 50 GJCA O=C1/C(=C/c2ccc(Br)cc2)SC(=S)N1c1ccccc1 1229672 RMKBTOVVJDDQBO-UVTDQMKNSA-N 376.300 4.855 10 50 GJCA CCCCC1=NN2C(=N)/C(=C/c3ccc(-c4ccc(F)cc4)o3)C(=O)N=C2S1 4725356 YURSGAFBUYCHTH-AXPJIBDUSA-N 396.447 4.895 10 50 GJCA CCN1C(=O)/C(=C\c2ccc(OCc3cccc(C)c3)c(OC)c2)SC1=S 4754590 NWDVMPFEQMNWBW-XDHOZWIPSA-N 399.537 4.804 10 50 GJCA Cc1ccccc1Cn1c(C)c(/C=C2\SC(=S)NC2=O)c2ccccc21 5102467 JKPHDFQGJIPNLS-ODLFYWEKSA-N 378.522 4.795 10 50 GJCA O=c1c(-c2nc3ccccc3s2)coc2c(CN3CCCCC3)c(O)ccc12 19707090 RHLLQZYAULWSJE-UHFFFAOYSA-N 392.480 4.761 10 50 GJCA biogenic CC(=O)[C@@H](/N=N/c1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccccc1Cl 88263412 QTSNFLIDNYOATQ-WGLILOHCSA-N 395.202 4.582 10 50 GJCA in-vitro Cc1c(O)c(CN(C)C)cc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc12 2581658 HPGLUAODPLNMOE-UHFFFAOYSA-N 377.362 4.554 10 50 GJCA CCN1/C(=C2/SC(=S)N(Cc3ccccc3)C2=O)C=Cc2ccccc21 100302939 YFTLMFFPUPJAFS-VHEBQXMUSA-N 378.522 4.812 10 50 GJCA Cc1[nH]c2ccccc2c1/C=C1\C(=O)N(c2ccccc2Cl)C(=S)N=C1O 38163051 QQEOYQUFAQVVQE-UVTDQMKNSA-N 395.871 4.801 10 50 GJCA Cc1ccc2ccc([C@H](Nc3ccccn3)c3cccc([N+](=O)[O-])c3)c(O)c2n1 4755286 HXCJXMCLDZTEQI-HXUWFJFHSA-N 386.411 4.754 10 50 GJCA CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C/NCCc1ccccc1 100163438 MJZWNMLAUXDQQS-BMRADRMJSA-N 390.512 4.515 10 50 GJCA Cc1cc(C)cc(OCCCOc2ccc(/C=C3/SC(=S)NC3=O)cc2)c1 2874196 PPACVSIMSGKOBC-CPNJWEJPSA-N 399.537 4.640 10 50 GJCA COc1ccc(-n2c(C)cc(/C=C3/N=C(c4ccc(F)cc4)OC3=O)c2C)cc1 1120309 PCMLHIDZGPYAFI-FYJGNVAPSA-N 390.414 4.586 10 50 GJCA Cc1cc(C(=O)N[C@H]2CCC[C@H](C(=O)O)CC2)c(C)n1-c1ccc(C(C)C)cc1 1875354493 XZVDHVLDEJBQMA-PMACEKPBSA-N 396.531 4.981 10 50 GJCA COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OC(C)C 1160252 WRDNPUYLLWRWDG-UNOMPAQXSA-N 399.537 4.884 10 50 GJCA Cc1cccc(C2=NN3C(=N)/C(=C\c4ccc(C(C)C)cc4)C(=O)N=C3S2)c1 4845917 FKIHIGKRIVULTC-VKGGKSIRSA-N 388.496 4.786 10 50 GJCA Cc1ccc2c(c1)C(C)(C)[C@]1(/C=C/c3ccc(N(C)C)cc3)N=C(O)CCN21 1023768 UXNSSCNZYKLMHJ-SWDTZWKESA-N 375.516 4.929 10 50 GJCA biogenic Cc1ccc(C)c(OCCCOc2ccc(/C=C3/SC(=S)NC3=O)cc2)c1 2882572 RPEUYOATNLGDCJ-CPNJWEJPSA-N 399.537 4.640 10 50 GJCA COc1cc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)cc(Cl)c1O 15011115 MBXKQVFIFMFSNY-GDNBJRDFSA-N 397.949 4.836 10 50 GJCA COc1ccccc1-c1coc2c(CN3[C@H](C)CCC[C@H]3C)c(O)ccc2c1=O 19790390 HITBXRASXIBMQP-HZPDHXFCSA-N 393.483 4.937 10 50 GJCA CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@H]1/N=N/c1ccccc1O 100354154 MMXLXKHLGDUTHT-CCWVLBSLSA-N 391.456 4.699 10 50 GJCA O=C1/C(=C/c2cc([N+](=O)[O-])ccc2Cl)SC(=S)N1c1ccccc1 2187799 GGDBIMMTGQTCBB-ZROIWOOFSA-N 376.846 4.654 10 50 GJCA CN(C)c1ccc(/C=C/CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 4981094 LUUNXYPBZBXBKT-SNAWJCMRSA-N 389.465 4.607 10 50 GJCA O=C1C[C@H](c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)CN1Cc1ccccn1 19939717 MPFDOUGFTQETEC-FQEVSTJZSA-N 394.478 4.655 10 50 GJCA O=[N+]([O-])c1ccc([C@@H]2[C@@H]3CC=C[C@@H]3c3cc(F)cc4c3N2C[C@H]2CC=C[C@@H]42)cc1 239358364 NCRCCPRHMJZJEF-BSTKLLGTSA-N 388.442 5.628 10 50 GJCA Nc1ccc2c(c1Oc1ccc(Br)cc1)C(=O)c1ccccc1C2=O 4819216 IYEWPGBXCNUTSR-UHFFFAOYSA-N 394.224 4.599 10 50 GJCA CCN(Cc1ccccc1)c1ccc(CNc2nnc(C(F)(F)F)o2)cc1 225568207 ULVLZIMBGSBXHM-UHFFFAOYSA-N 376.382 4.727 10 50 GJCA COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1ccc(SC)cc1 1126227 LLTPKHKUVMJALE-VBKFSLOCSA-N 399.899 4.939 10 50 GJCA COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccccc1Cl 1160640 IZKBVNKQLVWSLC-WJDWOHSUSA-N 388.250 4.871 10 50 GJCA CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@H]1/N=N/c1cccc(O)c1 100345518 PNRJHXQNMQTJEC-CCWVLBSLSA-N 391.456 4.699 10 50 GJCA O=C1/C(=C/c2ccccc2F)SC(=S)N1CNc1cccc(Cl)c1 334161220 WRFPPDBBQSXEQL-NVNXTCNLSA-N 378.881 4.750 10 50 GJCA C[C@H]1Oc2ccccc2C=C1/C=C1\SC(=S)N(CCc2ccccc2)C1=O 1182274 LKLNVJSWQQXHKA-KWPCUBQOSA-N 393.533 4.838 10 50 GJCA CCN1C(=O)/C(=C\c2ccc(-c3ccc(OC)c(Cl)c3)o2)SC1=S 4838784 KXHQVOFTSZDAIN-OQLLNIDSSA-N 379.890 4.830 10 50 GJCA CCc1cccc2c(/C=C3\C(=O)N(c4cccc(C)c4C)C(=O)N=C3O)c[nH]c12 20235749 BIEGCPXABBFOFB-WQRHYEAKSA-N 387.439 4.854 10 50 GJCA CCCCC1=NN2C(=N)/C(=C/c3ccc(-c4ccccc4)o3)C(=O)N=C2S1 32640983 RDMFHVRORGOLDM-FVLYSNIGSA-N 378.457 4.756 10 50 GJCA Cc1nc2n(n1)[C@H](c1ccccc1C(F)(F)F)C=C(c1ccc(N(C)C)cc1)N2 100716775 OOEWRLLCDZRZSH-IBGZPJMESA-N 399.420 4.727 10 50 GJCA CN(C)c1ccc(/C=C/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1 2919089 PLTLLHRLJWJBDK-AVSIYSEJSA-N 380.538 4.710 10 50 GJCA COc1ccccc1N1C(=O)/C(=C/c2c(F)cccc2Cl)SC1=S 1220851 LTMQQUCAQXDBHG-DHDCSXOGSA-N 379.865 4.894 10 50 GJCA Cc1oc2c(CNCc3cccs3)c(O)ccc2c(=O)c1-c1ccc(F)cc1 32501388 UKADBLYUJWIKIK-UHFFFAOYSA-N 395.455 4.964 10 50 GJCA biogenic O=C(c1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@@H]21)N1CCCC1 22108892 WLAHXIMORDOAIS-DBXWQHBBSA-N 389.455 4.657 10 50 GJCA Cc1[nH]c2ccccc2c1/C=C1\C(=N)N2N=C(C3CCCCC3)SC2=NC1=O 55498180 UHXODXFAZMCQCM-JUVBEIPNSA-N 391.500 4.676 10 50 GJCA CN(C)c1ccc(/C=C/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1 2980596 BTXVDGJZMQQZSY-CRVGVPJFSA-N 394.565 4.753 10 50 GJCA CC(/C=C1\SC(=S)N(c2ccccc2C(=O)O)C1=O)=C\c1ccccc1 5045466 PGVKLXHEOWCSIG-YMGXUNRSSA-N 381.478 4.737 10 50 GJCA COc1ccc(CN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)cc1 1144167 XRWZGNWTIBLCBA-YBEGLDIGSA-N 375.902 4.750 10 50 GJCA Cc1cccc(OCCCOc2ccc(/C=C3/SC(=S)N(C)C3=O)cc2)c1 2856596 DVPGXONCWPUQBN-XMHGGMMESA-N 399.537 4.674 10 50 GJCA Cc1scnc1C(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccccc1O 6527597 FMIPYPWEIHDGOF-KRWDZBQOSA-N 397.887 4.802 10 50 GJCA Cc1cccc(Cn2cc(/C=C3\SC(=S)N(C)C3=O)c3ccccc32)c1 15800597 UUNPOHGTCZVOCP-ODLFYWEKSA-N 378.522 4.829 10 50 GJCA Cc1cc(/C=C2/SC(=O)N(C)C2=O)c(C)n1-c1ccc(Br)cc1 1207293 FVVCXLUNZYTBGH-OQLLNIDSSA-N 391.290 4.523 10 50 GJCA CCC(=O)N[C@@H](c1ccccc1Cl)c1cc(Cl)c2cccnc2c1O 869284 QOAKBXJYFIBKGC-KRWDZBQOSA-N 375.255 4.863 10 50 GJCA CCN(CC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2 4881506 FAYALEOOHOCRDV-DXIQSLLYSA-N 391.471 4.903 10 50 GJCA COc1ccc(/C=C2\SC(Nc3cccc(Cl)c3C)=NC2=O)c(OC)c1 15016096 FDMDYIRWSDNZKW-MFOYZWKCSA-N 388.876 4.748 10 50 GJCA O=C(O)c1cc2c3c(c1)[C@@H]1C=CC[C@H]1CN3[C@@H](c1ccc(F)cc1)[C@H]1CC=C[C@@H]21 239274958 AZRBPQNKAPCMOS-BJTMNOAGSA-N 387.454 5.418 10 50 GJCA O=C1/C(=C/c2ccc(N3CCCC3)c(F)c2)SC(=S)N1c1ccccc1 1126628 LXCINTLRXJCPQS-AQTBWJFISA-N 384.501 4.832 10 50 GJCA CN(C)c1ccc(/C=C2\SC(=S)N(CCCc3ccccc3)C2=O)cc1 15011179 PIYMVDWLWICGON-CYVLTUHYSA-N 382.554 4.587 10 50 GJCA Cc1cccc(OCCCOc2ccc(C)cc2/C=C2\SC(=S)NC2=O)c1 2811658 QPXYXDFZUHITFU-UYRXBGFRSA-N 399.537 4.640 10 50 GJCA CN1C(=O)/C(=C\c2ccc(OCc3ccccc3Cl)cc2)SC1=S 5102438 ICCBOXUXEPGYNG-MHWRWJLKSA-N 375.902 4.750 10 50 GJCA COc1ccc(N2CCN(Cc3cc(C(C)C)c(O)c(C(C)C)c3)CC2)cc1 63110738 JDRKZVNXMWECLM-UHFFFAOYSA-N 382.548 4.970 10 50 GJCA CC(C)c1ccc(/C=C2/C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)cc1 4725414 YXBIHIJINYOTMQ-PBOWYIGHSA-N 388.496 4.672 10 50 GJCA CCN(CC)c1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 15010111 VNZGWTGOQNLOIB-UYRXBGFRSA-N 384.476 4.908 10 50 GJCA CN(C)c1ccc(/C=C/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)cc1 2062270 YPJIQOCDYBUYOF-PVMIXHCPSA-N 384.501 4.854 10 50 GJCA Cc1oc2c(CN(C)C)c(O)ccc2c(=O)c1Oc1ccc2ccccc2c1 19883659 JVGJCACCTYZOGH-UHFFFAOYSA-N 375.424 4.814 10 50 GJCA CCCN(Cc1cc(Br)cc(Br)c1O)CC1CC1 19633035 LVRNKYAWQONPQX-UHFFFAOYSA-N 377.120 4.539 10 50 GJCA CCCN1C(=O)/C(=C/c2ccc(OCc3ccccc3)c(OC)c2)SC1=S 1177450 GRRANIMYXHXZFC-UYRXBGFRSA-N 399.537 4.885 10 50 GJCA COC(=O)c1ccc([C@@H]2Nc3c([N+](=O)[O-])cc(C)c(C)c3[C@@H]3C=CC[C@@H]32)cc1 4151403 XMQNBARUIWVRMS-UWVAXJGDSA-N 378.428 4.825 10 50 GJCA Cc1[nH]c2ccccc2c1[C@H](c1cc(Cl)cc(Cl)c1O)N1CCOCC1 19939160 QUVZHOBLJFFCEX-IBGZPJMESA-N 391.298 4.910 10 50 GJCA O=C1/C(=C\c2cc(Br)ccc2O)SC(=S)N1C1CCCCC1 1175847 MMPASIKIYLGMPB-NTEUORMPSA-N 398.347 4.689 10 50 GJCA CCOc1ccc(-c2nc(-c3ccc(-n4cccc4)cc3)no2)cc1OCC 1423382 MSVQNLPPOMZZOR-UHFFFAOYSA-N 375.428 4.992 10 50 GJCA COc1ccc(CC2(CC(=O)c3ccccc3)C(=O)c3ccccc3C2=O)cc1 1229793 SHUGJFYVMSHNKV-UHFFFAOYSA-N 384.431 4.576 10 50 GJCA CN1C(=O)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)SC1=S 1194697 LAHHOEUNNUXFEL-JYRVWZFOSA-N 380.288 4.540 10 50 GJCA Cc1ccc(OCCn2cc(/C=C3/SC(=S)NC3=O)c3ccccc32)cc1 2954728 CQVINTVFCZCNIW-XDHOZWIPSA-N 394.521 4.518 10 50 GJCA O=C(O)CCc1ccc(-c2ccc(Br)cc2)n1-c1ccc(O)cc1 4172187 XASKSINGCXKCFW-UHFFFAOYSA-N 386.245 4.630 10 50 GJCA O=C1c2ccccc2C(=O)C1(Nc1cccc(Br)c1)c1ccccc1 1430206 XJRRJKYJGTWBLI-UHFFFAOYSA-N 392.252 4.836 10 50 GJCA CCN(CC)P(N=[N+]=[N-])(=NS(=O)(=O)c1ccc(C)cc1)N(CC)CC 4557261 DOXJWHCAOCLCRP-UHFFFAOYSA-N 386.462 4.624 10 50 GJCA COc1ccc([C@@H](Nc2cc(C)ccn2)c2ccc3cccnc3c2O)cc1O 15016433 FCTHDIWMHUZDNV-OAQYLSRUSA-N 387.439 4.560 10 50 GJCA CCCCOC(=O)COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl 1927099 XGCMQQZGPOAAHM-UHFFFAOYSA-N 386.831 4.836 10 50 GJCA CCOC(=O)C1=C(C)N=C2c3ccccc3C(=O)[C@H]2[C@H]1c1ccc(Cl)cc1 1194833 IPQWVKCFKOWFSG-OALUTQOASA-N 379.843 4.576 10 50 GJCA O=C1N=C(O)/C(=C\c2ccc(Sc3ccccc3)o2)C(=O)N1c1ccccc1 1210718 XQUMFWWBIGLTJU-GHRIWEEISA-N 390.420 4.938 10 50 GJCA CN(C)c1ccc(C(c2ccc(N(C)C)cc2)c2cccc([N+](=O)[O-])c2)cc1 4365603 LKSBXXBXHWRXRR-UHFFFAOYSA-N 375.472 4.907 10 50 GJCA CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\Nc1cc([N+](=O)[O-])ccc1Cl 100044287 OHFASWFSYHHIJV-YBEGLDIGSA-N 384.823 4.584 10 50 GJCA CCOC(=O)C1=C(C)N=C2c3ccccc3C(=O)[C@@H]2[C@@H]1c1ccc(Cl)cc1 17435108 IPQWVKCFKOWFSG-RTBURBONSA-N 379.843 4.576 10 50 GJCA Oc1ccc2ccccc2c1CN1CCN(c2cccc(C(F)(F)F)c2)CC1 19790497 AJVROWDAWQIMEN-UHFFFAOYSA-N 386.417 4.886 10 50 GJCA CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1ccc(Cl)cc1[N+](=O)[O-] 100499918 FYTGOYCDQHTOIM-ZROIWOOFSA-N 391.214 4.620 10 50 GJCA CC(C)(C)OC(=O)COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl 639317 ALUDYILHKBLFDL-UHFFFAOYSA-N 386.831 4.834 10 50 GJCA Cc1cc(C)c(S(=O)(=O)Nc2cc(Cl)c(O)c3ccccc23)cc1C 1131688 SAQVFKHUPWIQSZ-UHFFFAOYSA-N 375.877 4.925 10 50 GJCA CCC(=O)N[C@H](c1ccccc1Cl)c1cc(Cl)c2cccnc2c1O 869285 QOAKBXJYFIBKGC-QGZVFWFLSA-N 375.255 4.863 10 50 GJCA CC(=O)Nc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 1146841 PHKGXWZNJHZHHP-MHWRWJLKSA-N 388.901 4.704 10 50 GJCA CCc1cccc2c(/C=C3\C(=O)N(c4ccc(C)cc4)C(=S)N=C3O)c[nH]c12 20232958 HSZIAZWTYVOPAX-WQRHYEAKSA-N 389.480 4.710 10 50 GJCA Cc1ccc(Oc2ccc(N3C(=O)c4ccc(C(=O)O)cc4C3=O)cc2)cc1C 1233019 BHPAHHGMQRFMGC-UHFFFAOYSA-N 387.391 4.595 10 50 GJCA O=C(C[C@@H](c1ccccc1)c1ccccc1Cl)NCc1ccc(O)cc1O 95524068 DUJPPPDMYSVSAJ-IBGZPJMESA-N 381.859 4.590 10 50 GJCA COc1cc([C@H](Nc2cc(C)ccn2)c2ccc3cccnc3c2O)ccc1O 19843023 HKVBLSRMZHSZFQ-NRFANRHFSA-N 387.439 4.560 10 50 GJCA CC(C)[S@](=O)c1ccc(C(=O)Nc2cccc(N3CCCCCC3)c2)cc1 170644491 QBJHAPYTSPOHAJ-MHZLTWQESA-N 384.545 4.835 10 50 GJCA O=C1c2ccccc2C(=O)c2c(NC(=O)c3csc4ccccc34)cccc21 4180324 JCUFQNUEYGAPNP-UHFFFAOYSA-N 383.428 4.929 10 50 GJCA CCN1/C(=C2\SC(=S)N(Cc3ccccc3)C2=O)Sc2ccccc21 2923887 AUZKBEXHRJJNNK-FBMGVBCBSA-N 384.551 4.848 10 50 GJCA Cc1nc(C2(NC(=O)c3cc(C)n(-c4cccc(C(C)C)c4)c3C)CCC2)no1 170651533 NDOHVJIIQSYGRU-UHFFFAOYSA-N 392.503 4.718 10 50 GJCA COc1ccc2c(c1)c(=O)oc1c(C)c(OCC(=O)c3ccc(F)cc3)ccc12 950421 LYHQPORYCJJAQA-UHFFFAOYSA-N 392.382 4.664 10 50 GJCA COc1cc(Cl)cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)c1O 1175673 HUZUAVZJTJGLSE-RIYZIHGNSA-N 383.922 4.588 10 50 GJCA CC[C@@H](C)N1C(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S 1480069 XSIKBOMHNMQCFX-FFCYNSPCSA-N 388.470 4.855 10 50 GJCA COc1ccc(C(=O)Nc2ccc3oc(-c4ccc(N(C)C)cc4)nc3c2)cc1 826367 ODNQVDUUVDWOJT-UHFFFAOYSA-N 387.439 4.822 10 50 GJCA Cc1ccc(N2C(=O)C(=Cc3ccccc3)C(=O)N(c3ccc(C)cc3)C2=O)cc1 1509901 LTGSYUIAOVPKSM-UHFFFAOYSA-N 396.446 4.887 10 50 GJCA Cc1oc(C(=O)O)cc1COc1ccc2c(-c3ccccc3)cc(=O)oc2c1C 1140219 XQJGEJVSJJJWJI-UHFFFAOYSA-N 390.391 4.947 10 50 GJCA biogenic COc1ccc(Cl)cc1/C=C1\SC(=S)N(Cc2ccccc2)C1=O 22309820 NBMFFHFHOCQIPM-YBEGLDIGSA-N 375.902 4.750 10 50 GJCA CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccccc2)SC1=S 2507804 DKKWATHNOGPOLH-AQTBWJFISA-N 391.521 4.760 10 50 GJCA CCCCC1(C)OC(=O)C(=Cc2ccc(OCc3ccccc3)cc2)C(=O)O1 5093303 ZXMFFTARDPRPJI-UHFFFAOYSA-N 380.440 4.655 10 50 GJCA COc1ccc(OC)c([C@@H]2Nc3c(Cl)ccc(C(=O)O)c3[C@H]3C=CC[C@@H]32)c1 4810891 NFQIZAIUORKUBD-WTOJCKNJSA-N 385.847 4.882 10 50 GJCA CCOC(=O)C1=C(C)N=C2c3ccccc3C(=O)[C@@H]2[C@H]1c1ccc(Cl)cc1 4624144 IPQWVKCFKOWFSG-RBUKOAKNSA-N 379.843 4.576 10 50 GJCA COc1ccc([C@H](Nc2ccccn2)c2ccc3cccnc3c2O)cc1OC 4139996 KVIWTXYWCVKZLF-NRFANRHFSA-N 387.439 4.554 10 50 GJCA CC(C)C1=NN2C(=N)/C(=C/c3ccc(-c4ccccc4Cl)o3)C(=O)N=C2S1 31842148 HDTABFLJBCJKMZ-XCGHDDSDSA-N 398.875 4.875 10 50 GJCA CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C/NCc1cccs1 100617686 MCVLKGKBOJAPAV-WYMLVPIESA-N 382.514 4.534 10 50 GJCA COc1ccc(/C=C2\SC(c3ccc(C)cc3)=NC2=O)cc1Br 1191266 NYPVOLUWHFARBJ-YBEGLDIGSA-N 388.286 4.827 10 50 GJCA O=C(O)CCc1ccc(-c2ccc(Br)cc2)n1-c1cccc(O)c1 2483138 QCNISVWVLREULS-UHFFFAOYSA-N 386.245 4.630 10 50 GJCA CCN1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)SC1=S 4499219 VMYVJNSJXUHGJS-NTEUORMPSA-N 394.315 4.930 10 50 GJCA CCc1ccc(OCCCOc2cccc(/C=C3/SC(=S)NC3=O)c2)cc1 2882549 PTLHXSBBLYAQFE-XMHGGMMESA-N 399.537 4.586 10 50 GJCA COc1ccc(CNCc2cc(-c3nc4ccccc4s3)ccc2O)cc1 11871688 GNQFUEAEYQPUBP-UHFFFAOYSA-N 376.481 4.967 10 50 GJCA O=C1NC(=S)S/C1=C\c1ccc(OCc2cccc3ccccc23)cc1 1216278 MKEPCBKAUSRHCQ-UNOMPAQXSA-N 377.490 4.908 10 50 GJCA COc1ccccc1-c1coc2c(CN3[C@@H](C)CCC[C@H]3C)c(O)ccc2c1=O 13125337 HITBXRASXIBMQP-IYBDPMFKSA-N 393.483 4.937 10 50 GJCA Cc1c(Cc2ccccc2)c(=O)oc2c(CN3CCC[C@@H](C)C3)c(O)ccc12 1256335 BHJNDUBILNOCKM-MRXNPFEDSA-N 377.484 4.630 10 50 GJCA O=C1NC(=S)S/C1=C\c1cn(Cc2ccc(Cl)cc2)c2ccccc12 15800415 NLVZCDXGSURODM-MFOYZWKCSA-N 384.913 4.832 10 50 GJCA Cc1cnc(O)n1-c1ccc([C@@H](C)N[C@@H](C)c2cc3c(cc2O)CCCC3)cc1 2325734843 XGPPHBLVXZFTNM-SJORKVTESA-N 391.515 4.883 10 50 GJCA COc1ccc(C2=NN3[C@H](c4ccc(N(C)C)cc4)Oc4ccccc4[C@H]3C2)cc1 239433771 YKVWVXBPVGBHDJ-NOZRDPDXSA-N 399.494 5.004 10 50 GJCA CCN1C(=O)/C(=C\c2ccc(COc3ccccc3Cl)o2)SC1=S 4652214 HTYRTFQFTCJELG-OQLLNIDSSA-N 379.890 4.733 10 50 GJCA COc1ccccc1-c1c(C)oc2c(CN3CCCC[C@H]3C)c(O)ccc2c1=O 3653125 LEXIIBMSVNOCIL-OAHLLOKOSA-N 393.483 4.857 10 50 GJCA biogenic Cc1cc(N2CCC3(CCCN3Cc3ccccc3O)CC2)c2ccccc2n1 72422504 OSYYGNSMROAAFT-UHFFFAOYSA-N 387.527 4.884 10 50 GJCA Cc1ccc(OCCCOc2ccccc2/C=C2/SC(=S)NC2=O)cc1C 4755069 DCMGOZHKBPTLDE-CPNJWEJPSA-N 399.537 4.640 10 50 GJCA COc1ccc([C@@H](C)[C@@H](N=[N+]=[N-])C(=O)N2C(=O)OC[C@@H]2c2ccccc2)c(C)c1 104148007 CWYJHTQTVJXVND-NIKGAXFTSA-N 394.431 4.506 10 50 GJCA COc1cccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)c1OC 1151337 PPEXWJYLTAIMEU-XNTDXEJSSA-N 391.901 4.763 10 50 GJCA CCC1=NN2C(=N)/C(=C/c3ccc(-c4ccc(C)c(Cl)c4)o3)C(=O)N=C2S1 4859875 AOVYJVTXRHYHJV-JBTBNTSXSA-N 398.875 4.938 10 50 GJCA COc1ccc(N2CCN(C(=S)Nc3ccc(Cl)cc3Cl)CC2)cc1 1162301 ZBZXCWRTULUZNN-UHFFFAOYSA-N 396.343 4.521 10 50 GJCA O=C1NC(=S)S/C1=C\c1cccc(OCc2cccc3ccccc23)c1 1216200 PRFCICSJTUSZHA-UNOMPAQXSA-N 377.490 4.908 10 50 GJCA CCCOc1ccc(/C=C2\C(=O)N(c3cccc(C)c3)N=C2C)cc1OCC 4613892 CEXYEXMKQGCZNB-ZHZULCJRSA-N 378.472 4.989 10 50 GJCA O=C(O)c1cccc(-c2ccc(/C=C3/SC(=O)N(c4ccccc4)C3=O)o2)c1 13477013 GEYUYMIKXNQPKI-LDADJPATSA-N 391.404 4.886 10 50 GJCA Nc1c(C2CCCCC2)cc(Br)c2c1C(=O)c1ccccc1C2=O 3879168 OFAZBIKMAGMEHY-UHFFFAOYSA-N 384.273 4.854 10 50 GJCA O=C(c1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@H]21)N1CCCC1 4132264 WLAHXIMORDOAIS-WAOWUJCRSA-N 389.455 4.657 10 50 GJCA CCc1ccc(OCCCOc2ccc(/C=C3/SC(=S)NC3=O)cc2)cc1 2874294 PBGZJGNJBFYEAY-XMHGGMMESA-N 399.537 4.586 10 50 GJCA Cc1ccc2ccc([C@H](Nc3ccccn3)c3ccc([N+](=O)[O-])cc3)c(O)c2n1 4755407 RPNDUXSAUMEQGW-HXUWFJFHSA-N 386.411 4.754 10 50 GJCA CN(Cc1ccccc1)Cc1cc(Br)cc(Br)c1O 23281984 ANCCKQJNAMPMHL-UHFFFAOYSA-N 385.099 4.549 10 50 GJCA O=C(OCCC1(c2ccccc2)C(=O)c2ccccc2C1=O)Oc1ccccc1 22017891 WRMIHUXHSAOYSY-UHFFFAOYSA-N 386.403 4.609 10 50 GJCA Cc1cccc(OCCCOc2ccc(/C=C3/SC(=S)NC3=O)cc2)c1C 2882752 WANQDSAXFZJBQQ-CPNJWEJPSA-N 399.537 4.640 10 50 GJCA C[C@@H](NC(=O)CN(Cc1ccccc1O)C1CCCC1)c1ccccc1Cl 731847065 BPVBSGPLQNCCRS-MRXNPFEDSA-N 386.923 4.668 10 50 GJCA CCOc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c(OCC)c1 13895352 OKKSBZUDNJYDIR-UNOMPAQXSA-N 399.537 4.885 10 50 GJCA COCCNC(=O)Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 15684959 SVQFKHHGPSMBGI-UHFFFAOYSA-N 396.450 4.857 10 50 GJCA Cc1ccc(OCCCOc2cccc(/C=C3/SC(=S)NC3=O)c2)c(C)c1 2874177 JNQCYBZXOAFMRQ-CPNJWEJPSA-N 399.537 4.640 10 50 GJCA CC(=O)N(c1ccccc1)C1(c2ccc(Cl)cc2)C(=O)c2ccccc2C1=O 1207409 RSCKAPAQPXQVDS-UHFFFAOYSA-N 389.838 4.668 10 50 GJCA O=C1/C(=C/c2cccc(Cl)c2)SC(=S)N1c1cccc([N+](=O)[O-])c1 15685386 UXONNHAMQDBNOA-ZSOIEALJSA-N 376.846 4.654 10 50 GJCA COc1ccc(CN2Cc3ccccc3O[C@H](c3ccccc3OC)C2)c(O)c1 20821497 SXJNBAVEEVXBAM-DEOSSOPVSA-N 391.467 4.545 10 50 GJCA CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\Nc1ccc(Cl)cc1[N+](=O)[O-] 100501236 AEEDXFZQPFBBDE-YBEGLDIGSA-N 384.823 4.584 10 50 GJCA Cc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccccc3C)C2=O)cc1 13810043 DKXNHVYZQOPMLT-AQTBWJFISA-N 396.537 4.533 10 50 GJCA O=C1c2ccccc2C(=O)C1(Cc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 1173525 MHICARHOVGYWAG-UHFFFAOYSA-N 391.810 4.808 10 50 GJCA O=C1/C(=C\c2cccc([N+](=O)[O-])c2)SC(=S)N1c1ccc(Cl)cc1 2549295 GQSUGSDHAAAKEK-NTEUORMPSA-N 376.846 4.654 10 50 GJCA Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C)C2=O)cc1 2688615 YWSSMSCCTHQXCJ-LDADJPATSA-N 391.521 4.679 10 50 GJCA CCn1ccnc1-c1cccc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)c1 130902723 BBZIWIIXKABYQJ-UHFFFAOYSA-N 385.471 4.625 10 50 GJCA Cc1c(/C=C2/C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2O)c2ccccc2n1C 1270075 HPYRLNMDFZOURS-GZTJUZNOSA-N 393.830 4.647 10 50 GJCA Oc1c(Br)cc(Br)cc1CNc1ccc(F)cc1 1406683 RSAVHLHUQZXMTJ-UHFFFAOYSA-N 375.035 4.668 10 50 GJCA CCCCN(CC)Cc1c(O)ccc2c(=O)c(-c3ccccc3OC)coc12 19790395 JIVIVOGQAJHJAH-UHFFFAOYSA-N 381.472 4.796 10 50 GJCA biogenic Oc1ccc(C2=NN(c3cccc(Cl)c3)[C@H](c3ccc(O)c(F)c3)C2)c(O)c1 299833664 VNOPTNCUEVRKCG-IBGZPJMESA-N 398.821 4.952 10 50 GJCA CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccccc1Sc1ccccc1)C(=O)C2=O 2391323 WLWZOZUZEZXMHK-PKTZIBPZSA-N 393.508 4.741 10 50 GJCA Cc1ccnc(N[C@@H](c2ccc([N+](=O)[O-])cc2)c2ccc3cccnc3c2O)c1 15016408 WRUZNTSXJKBYPR-FQEVSTJZSA-N 386.411 4.754 10 50 GJCA CC[C@@H]1CCCCN1Cc1c(O)c(Cl)cc2c3c(c(=O)oc12)CCCC3 19800092 LGEMGRJHQBCNPF-CYBMUJFWSA-N 375.896 4.795 10 50 GJCA Cc1ccccc1OCCCOc1ccccc1/C=C1/SC(=S)N(C)C1=O 2874237 BEBYNHCWTCXKKE-XMHGGMMESA-N 399.537 4.674 10 50 GJCA CCc1ccc(OCCCOc2ccccc2/C=C2/SC(=S)NC2=O)cc1 2878516 ZHYBVSHZWTYHKA-XMHGGMMESA-N 399.537 4.586 10 50 GJCA CCOc1ccc(Br)c(/C=C2\C(=O)N(c3ccccc3)N=C2C)c1 15016521 FCUUBODWCYDVKT-ATVHPVEESA-N 385.261 4.654 10 50 GJCA CCN(CC)c1ccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 55292241 FVYIKQXARQMQHC-UHFFFAOYSA-N 391.481 4.874 10 50 GJCA Cc1cc(C(=O)N2CCC([C@H](O)c3cccs3)CC2)c(C)n1-c1ccccc1 1506405242 YGWKJQREODCOTB-QFIPXVFZSA-N 394.540 4.741 10 50 GJCA CN(C)c1ccc(CC2(CC(=O)c3ccccc3)C(=O)c3ccccc3C2=O)cc1 3140704 OVXACAHEJLBCRE-UHFFFAOYSA-N 397.474 4.634 10 50 GJCA O=C(/C=C/c1ccc(Cl)cc1)Nc1cccc2c1C(=O)c1ccccc1C2=O 4894475 JDMMSVLFQOASBC-JLHYYAGUSA-N 387.822 4.767 10 50 GJCA O=C1/C(=C\c2ccc(O)cc2)SC(=S)N1c1cccc(C(F)(F)F)c1 15011645 PZGSAAGYVLUUNY-RIYZIHGNSA-N 381.400 4.817 10 50 GJCA COc1ccc(CN2C(=O)/C(=C/c3cccc(Cl)c3)SC2=S)cc1 1165292 NERVLQJXBHJYMZ-YBEGLDIGSA-N 375.902 4.750 10 50 GJCA Cc1ccc(C)c(OCCCOc2cccc(/C=C3/SC(=S)NC3=O)c2)c1 2878609 VIFYYQIEADIRSP-CPNJWEJPSA-N 399.537 4.640 10 50 GJCA CC[C@]1(C)C[C@@](CCNCc2ccccc2O)(c2ccc(OC)cc2)CCO1 4029061 JIQAHUHUQCSDSD-RPWUZVMVSA-N 383.532 4.798 10 50 GJCA biogenic Cc1ccc(N2C(=O)c3ccc(Oc4ccc(N)cc4)cc3C2=O)cc1Cl 2878897 HNZFQQAJOSKEDI-UHFFFAOYSA-N 378.815 4.824 10 50 GJCA COc1cc(/C=C2/C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)ccc1O 3970057 JBSTZSMPPUVWOY-NTUHNPAUSA-N 377.227 4.514 10 50 GJCA CCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccco2)SC1=S 5671752 VCCACJPDGMJBIT-SFQUDFHCSA-N 395.509 4.744 10 50 GJCA COc1ccc(OC)c(/C=C2\SC(=S)N(CCCc3ccccc3)C2=O)c1 15011170 JTFBILNCVBAOHC-RGEXLXHISA-N 399.537 4.538 10 50 GJCA O=C(Oc1ccccc1)c1cc2c3c(c1O)[C@@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@@H]21 101640242 PPHLXSUAQQATPK-PSBWJHGTSA-N 385.463 4.764 10 50 GJCA CCCC(=O)N[C@H](c1ccccc1OC)c1cc(Cl)c2cccnc2c1O 801081 AKOYFLRLPAVVCZ-LJQANCHMSA-N 384.863 4.608 10 50 GJCA Cc1ccnc(N[C@H](c2ccc([N+](=O)[O-])cc2)c2ccc3cccnc3c2O)c1 15016409 WRUZNTSXJKBYPR-HXUWFJFHSA-N 386.411 4.754 10 50 GJCA CCCC(=O)N[C@H](c1ccc(N(C)C)cc1)c1cc(Cl)c2cccnc2c1O 801072 LHHBXTYLAYAKHI-HXUWFJFHSA-N 397.906 4.666 10 50 GJCA Cc1cccc(NC(=O)CCN2C(=O)/C(=C/c3ccccc3)SC2=S)c1C 1217932 ADOYXTFOCLGQCD-AQTBWJFISA-N 396.537 4.533 10 50 GJCA COc1ccc(N2CCC(N3CCC[C@H]3c3ccc(CN(C)C)cc3)CC2)cc1 1506396031 GBIYIRVWHWZWFJ-VWLOTQADSA-N 393.575 4.563 10 50 GJCA Cc1cc(C)cc(OCCOc2ccccc2/C=C2\SC(=S)N(C)C2=O)c1 5102399 XEKGBGZIFXOSRA-UYRXBGFRSA-N 399.537 4.592 10 50 GJCA O=S(=O)(Nc1nc(-c2cccc(F)c2)cs1)c1ccc(F)cc1Cl 170593417 AFQKUSGKVCIACB-UHFFFAOYSA-N 386.832 4.543 10 50 GJCA O=C(Nc1ccc(Cl)cc1)Nc1cccc2c1C(=O)c1ccccc1C2=O 3995907 CWWZXEXZUSLZPP-UHFFFAOYSA-N 376.799 4.759 10 50 GJCA CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(C)cc1 16948754 BTDFCRAVQFRMSI-STZFKDTASA-N 375.468 4.879 10 50 GJCA Cc1c(OCc2ccc(C(=O)O)o2)ccc2c(-c3ccccc3)cc(=O)oc12 1151510 KKWJAVLPKUAQOI-UHFFFAOYSA-N 376.364 4.639 10 50 GJCA biogenic CCN1C(=O)/C(=C\c2ccc(OCc3ccc(C)cc3)c(OC)c2)SC1=S 4754624 BGDCXIANXLEHAN-XDHOZWIPSA-N 399.537 4.804 10 50 GJCA CN(C)c1ccc(CN(C(=O)c2ccccc2)C2CC(C)(C)NC(C)(C)C2)cc1 4571351 SVCOIBVTVUGEOT-UHFFFAOYSA-N 393.575 4.704 10 50 GJCA O=C1/C(=C/c2ccc(O)cc2)SC(=S)N1c1ccc(Br)cc1 13601312 XSXACFSZNVHGDZ-ZROIWOOFSA-N 392.299 4.561 10 50 GJCA COc1cccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)c1OC 13712059 PPEXWJYLTAIMEU-GDNBJRDFSA-N 391.901 4.763 10 50 GJCA O=C1/C(=C/c2cccc(Br)c2)SC(=S)N1c1ccc(O)cc1 1002975 XCVQKXMSKDWAQL-ZROIWOOFSA-N 392.299 4.561 10 50 GJCA CCN(CC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2 4881508 FAYALEOOHOCRDV-KNKQGSTJSA-N 391.471 4.903 10 50 GJCA CC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N3C[C@@H]1CC=C[C@H]21 239402679 QZEVZHPZXRMEDG-VSALZBCGSA-N 385.482 5.923 10 50 GJCA O=C1/C(=C/c2ccccc2)SC(=S)N1CNc1cccc(C(F)(F)F)c1 334160396 CWJLDBONTOASPW-DHDCSXOGSA-N 394.443 4.976 10 50 GJCA COc1ccc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc1OC 1203070 FKRKXZMATBLYBL-WQRHYEAKSA-N 385.510 4.726 10 50 GJCA Cc1ccc(-c2csc(NS(=O)(=O)c3ccc(F)cc3Cl)n2)cc1 170593216 MZWRVLZHVMEOQT-UHFFFAOYSA-N 382.869 4.712 10 50 GJCA COc1ccc(O)c(CN2CCC[C@H](c3n[nH]cc3-c3ccc(Cl)cc3)C2)c1 15001003 SACLPJPUKJJAOB-INIZCTEOSA-N 397.906 4.824 10 50 GJCA O=C(c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2)N1CCOCC1 22289028 CLWRPOOIPCVOTC-WOIUINJBSA-N 394.902 4.639 10 50 GJCA CCCCOC(=O)COc1cc2oc(=O)cc(-c3ccccc3)c2cc1CC 5554499 VOTWRQHLLRZAHM-UHFFFAOYSA-N 380.440 4.745 10 50 GJCA O=C1/C(=C/c2ccc(Br)o2)SC(=S)N1c1cccc(F)c1 1136267 NWICDFSUSVCEAU-XFFZJAGNSA-N 384.251 4.587 10 50 GJCA COc1ccc(OC)c([C@@H]2Nc3c(Cl)ccc(C(=O)O)c3[C@@H]3C=CC[C@@H]32)c1 101956178 NFQIZAIUORKUBD-QHRIQVFBSA-N 385.847 4.882 10 50 GJCA COc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2c2ccccc2)c(OC)c1 4544896 HPIIMDHBKWVJQS-RCCKNPSSSA-N 384.435 4.538 10 50 GJCA COc1ccc(OC)c([C@@H]2Nc3c(Cl)ccc(C(=O)O)c3[C@H]3C=CC[C@H]32)c1 4810890 NFQIZAIUORKUBD-XEKQOVJPSA-N 385.847 4.882 10 50 GJCA Cc1ccccc1COc1ccc(Cl)cc1/C=C1/SC(=S)NC1=O 1179637 GPSHLSVDVYQVHJ-CXUHLZMHSA-N 375.902 4.716 10 50 GJCA O=C1/C(=C/c2ccccc2Br)SC(=S)N1c1ccc(F)cc1 1159857 SWQKBQWKTORGRP-ZROIWOOFSA-N 394.290 4.994 10 50 GJCA Oc1ccc(-c2ccc3c(c2)OCO3)cc1CN1CCCC[C@H]1c1cccnc1 23580636 FPDVLECASGUFRB-NRFANRHFSA-N 388.467 4.910 10 50 GJCA Cc1oc(C(=O)O)cc1COc1ccc2c(-c3ccccc3)cc(=O)oc2c1 4028242 HEGBJLYFFFHNEM-UHFFFAOYSA-N 376.364 4.639 10 50 GJCA biogenic COc1ccc(/C=C2\C(=O)N(c3nc(-c4ccc(F)cc4)cs3)N=C2C)cc1 33323533 SJHQKZHUFMMWQX-WQRHYEAKSA-N 393.443 4.764 10 50 GJCA C=CC(=O)Nc1cc(NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)ccc1F 176721565 JDJUSHZWZXUJRF-UHFFFAOYSA-N 395.409 4.749 10 50 GJCA COc1cccc(-c2ccc(O)c(CN3CCc4c([nH]c5ccccc45)C3)c2)n1 14886642 MVIOIZMUOYOCEM-UHFFFAOYSA-N 385.467 4.502 10 50 GJCA CCC1=NN2C(=N)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)C(=O)N=C2S1 3864203 YNBUEGMAGPIROI-PNZWKLPWSA-N 384.848 4.629 10 50 GJCA COCCCN1C(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)SC1=S 2678088 VVNWBIHFSDBGSZ-RGEXLXHISA-N 399.537 4.503 10 50 GJCA CCCN1C(=O)/C(=C\c2ccc(OC(=O)c3ccccc3)cc2)SC1=S 4802077 SKDPJKBCYRAFFL-GHRIWEEISA-N 383.494 4.517 10 50 GJCA CC(C)(C)C1(C)OC(=O)C(=Cc2ccc(OCc3ccccc3)cc2)C(=O)O1 2971013 IZPCMLNDKUVSMD-UHFFFAOYSA-N 380.440 4.511 10 50 GJCA O=C1/C(=C\c2cccc3ccccc23)C(O)=NC(=S)N1c1ccccc1F 1245621 CENLOHOENZSIND-VBKFSLOCSA-N 376.412 4.651 10 50 GJCA CCCCOc1ccc(/C=C2\SC(=S)N(C(C)C)C2=O)cc1OCC 16713545 GHNASAUBAINOPZ-ATVHPVEESA-N 379.547 4.874 10 50 GJCA CC(=O)Oc1ccc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc1 16193328 BMGVVTSTAYLHHJ-SXGWCWSVSA-N 389.885 4.671 10 50 GJCA O=C(N[C@@H](c1ccccc1)c1cc(Cl)c2cccnc2c1O)c1cccnc1 17360752 QDYVWPBPZWJQMG-IBGZPJMESA-N 389.842 4.508 10 50 GJCA Cc1ccnc(N[C@H](c2ccccc2[N+](=O)[O-])c2ccc3cccnc3c2O)c1 1171699 LQKHZFASLJFUJQ-OAQYLSRUSA-N 386.411 4.754 10 50 GJCA CCN(CC)Cc1c(O)ccc2oc(C)c(C(=O)c3ccc(OC)cc3OC)c12 22779545 DLIHFLDYGISQRO-UHFFFAOYSA-N 397.471 4.537 10 50 GJCA O=C1c2ccccc2C(=O)c2c1oc(-c1ccccc1)c2C(=O)c1ccccc1 1215085 LLVULZDXNBPGIC-UHFFFAOYSA-N 378.383 4.953 10 50 GJCA biogenic CC(C)(C)c1ccc(C(=O)Oc2cccc(/C=C3\SC(=S)NC3=O)c2)cc1 16247692 KAZWDXQMMGXFHD-ATVHPVEESA-N 397.521 4.692 10 50 GJCA CSc1c(C(=O)Nc2ccc(C)cc2)ccc2c1C(=O)c1ccccc1C2=O 4451899 XTPHTPQRSGZTOX-UHFFFAOYSA-N 387.460 4.745 10 50 GJCA Cc1ccnc(N[C@H](c2cccc([N+](=O)[O-])c2)c2ccc3cccnc3c2O)c1 2978256 CKWCYYXSFATAIE-HXUWFJFHSA-N 386.411 4.754 10 50 GJCA CCc1cccc(C)c1N1C(=O)/C(=C/c2ccc(OC)c(OC)c2)SC1=S 1136306 QQQJIGMZEWLRHI-PDGQHHTCSA-N 399.537 4.980 10 50 GJCA COc1cc(C)c(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)cc1C(C)C 13895291 LSZDHFWWMGYLHF-GRSHGNNSSA-N 398.553 4.923 10 50 GJCA COc1ccc(CN2Cc3ccccc3O[C@@H](c3ccccc3OC)C2)c(O)c1 20821499 SXJNBAVEEVXBAM-XMMPIXPASA-N 391.467 4.545 10 50 GJCA O=C1/C(=C\c2ccc(O)c(O)c2)SC(=S)N1c1cccc(C(F)(F)F)c1 13590155 JOFYGVGLDWMWPK-VGOFMYFVSA-N 397.399 4.522 10 50 GJCA O=C1N=C(O)/C(=C\c2ccc(-c3ccc(F)cc3)o2)C(=O)N1Cc1ccccc1 1270846 JLQHQRIIWKBGSS-LDADJPATSA-N 390.370 4.588 10 50 GJCA O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccc2ccccc2c1 5092449 LVPXXDZRUXMZDT-UHFFFAOYSA-N 377.399 4.868 10 50 GJCA