smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1cccc([C@@H]2CN(Cc3ccco3)CCc3c2cc(O)c(O)c3Cl)c1 27183049 XZANZNDOULWJRM-IBGZPJMESA-N 383.875 4.843 10 1 GJCF Cc1cc(Cl)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1O 587698450 QFEISEXLUKZLCP-JDNHERCYSA-N 384.676 4.879 10 1 GJCF CCOc1ccc(N2CC[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C2)cc1 587512373 CXWIAHHOMITBRE-DEOSSOPVSA-N 377.484 4.578 10 1 GJCF Cc1cc(Cl)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1O 587695444 JWLQPTHYKVGGTN-ABKXIKBNSA-N 384.676 4.879 10 1 GJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Cl)cc2O)N1 587701918 YGXFYIJUXIPWJO-VVVCHXIZSA-N 384.676 4.745 10 1 GJCF Cc1cnc(SC[C@]2(C)c3ccsc3CCN2Cc2cccnc2)s1 963000910 XNMLCWZUPAFSCF-LJQANCHMSA-N 387.599 4.974 10 1 GJCF Cc1cnc(SC[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587609723 DBYOHWKYOHPXAH-JXFKEZNVSA-N 399.493 4.670 10 1 GJCF Cc1ccc([C@H]2N=C(c3ccc4c(c3)OCO4)C[C@H](c3ccccc3O)N2)cc1 53363237 MGVYUAIJJICLBX-YKSBVNFPSA-N 386.451 4.652 10 1 GJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(O)cccc2Cl)N1 587692071 JNHHKULOXLYLHB-XYZCENFISA-N 384.676 4.745 10 1 GJCF CC[C@H](C)Oc1ccc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)cc1 1772575309 RVIJMAAMJXVXFD-LLJLJFOGSA-N 396.531 4.719 10 1 GJCF COc1ccc2c(c1)[C@]1(Cc3ccccc3)CCN(C)[C@@H]1N2Cc1ccccc1 58522966 DPNSCHBYEBLOPZ-CLJLJLNGSA-N 384.523 4.858 10 1 GJCF Oc1cc(F)cc(Br)c1[C@H]1c2ccc(F)cc2C[C@@H]2CCCN21 963106822 NXVAZMIGKAOYMT-SCLBCKFNSA-N 380.232 4.543 10 1 GJCF Brc1ccsc1C1=NN[C@@H](c2ccc(N3CCCCC3)cc2)C1 103223527 OBJJPVDOJZQKOL-MRXNPFEDSA-N 390.350 4.940 10 1 GJCF CCN(C)c1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587742712 SWXFOIGNXDDIHJ-RNODOKPDSA-N 391.328 4.842 10 1 GJCF COc1cc(C)cc2c(-c3c(O)cc(O)c4c3C[C@H](C)N[C@@H]4C)ccc(O)c12 5848997 JOXWHCNNDTWJPX-QWHCGFSZSA-N 379.456 4.536 10 1 GJCF biogenic CC(C)=CCc1c(O)c(O)c2c(c1CC=C(C)C)C(=O)[C@H]1C(O)=CC=C(O)[C@@H]1O2 2356751195 OJFHQRYJPSDSRE-GCJKJVERSA-N 398.455 4.573 10 1 GJCF COc1ccc(NC(=S)N2N=C(c3ccc(O)cc3)C[C@H]2c2ccco2)cc1 45335898 GMUZBEPRONRVQZ-IBGZPJMESA-N 393.468 4.542 10 1 GJCF CC(=CCC[C@]1(C)C=Cc2cc(CCc3cccc(O)c3O)ccc2O1)CO 2356603983 MYFQBSFOYRALBJ-XMMPIXPASA-N 380.484 4.766 10 1 GJCF CCN1CCc2cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc21 587769116 XAOGLLVFPVSCOY-FKIZINRSSA-N 389.312 4.594 10 1 GJCF Oc1c([C@H](Nc2ncccn2)c2ccc(F)cc2F)cc(Cl)c2cccnc12 1772652344 JVNXIVUULSOGIF-QGZVFWFLSA-N 398.800 4.864 10 1 GJCF COc1ccc(CNCc2ccccc2)cc1COc1ccc(NC(C)=O)cc1 13831051 MKRNBMRLBNXQJI-UHFFFAOYSA-N 390.483 4.522 10 1 GJCF COc1ccc(NC(=O)Nc2ccc(/C=C/c3ccc(O)c(O)c3)cc2)cc1 87722559 LPZHHGVKDSOKQD-NSCUHMNNSA-N 376.412 4.921 10 1 GJCF CNc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccccc3nc2c1 5138582 WSIDMACYGUCWEA-UHFFFAOYSA-N 392.484 4.545 10 1 GJCF CC(=O)c1cccc(-n2c(C)cc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c2C)c1 587391715 XLZOMLRKABGNHX-HSZRJFAPSA-N 388.467 4.894 10 1 GJCF COc1cc(C)c(O)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587811406 ZXYSACRAXYKTRL-YPMLDQLKSA-N 394.284 4.543 10 1 GJCF O=C(Nc1ccc(CCc2ccc(O)c(O)c2)cc1)c1ccc2ccccc2c1O 28016269 ZHBKLXJMTQXZNE-UHFFFAOYSA-N 399.446 4.994 10 1 GJCF O=C1c2ccccc2C(=O)[C@H](O)[C@@H]1CCCc1ccc(Oc2ccccc2)cc1 28706443 CMFULNRWJMQIDR-RCZVLFRGSA-N 386.447 4.858 10 1 GJCF CCNC(=O)c1c(-c2ccccc2)oc2ccc(O)c(CN3CCCCC3)c12 1772622795 XUQMMQPHMWUVRQ-UHFFFAOYSA-N 378.472 4.541 10 1 GJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N(C)C)cc2Cl)N1 587693356 JRYVLNLGGBNULL-MLCYQJTMSA-N 397.719 4.931 10 1 GJCF Cc1nn(-c2ccccc2)c(-c2ccccc2)c1[C@@H]1CC(c2ccc(N)cc2)=NN1 103171863 JBXVFAWUSIPQAO-QHCPKHFHSA-N 393.494 4.869 10 1 GJCF Oc1cc2c3ccc(O)c(O)c3n(Cc3c(Cl)cccc3Cl)c2cc1O 3832364 MVSJQCKSFDKTSZ-UHFFFAOYSA-N 390.222 4.972 10 1 GJCF CC(=O)O[C@@H]1c2ccc(CN(C)C)n2-c2ccccc2S[C@@H]1c1ccccc1 13757071 KCEKMNJYZIZWOQ-DHIUTWEWSA-N 392.524 4.990 10 1 GJCF O=C(c1ccccc1NCc1ccc2ncccc2c1)c1c[nH]c2ncccc12 40896119 GJVCAJSUCFLULK-UHFFFAOYSA-N 378.435 4.954 10 1 GJCF O=C(c1ccncc1)N1N=C(c2cc3ccccc3o2)C[C@H]1c1ccccc1O 64564411 CZBMJIYJYWOCGQ-IBGZPJMESA-N 383.407 4.525 10 1 GJCF Nc1ccc(Oc2ccc3[nH]c(-c4ccc(F)c(Br)n4)nc3c2)cc1 587155371 KPTZQVSPTPFRDK-UHFFFAOYSA-N 399.223 4.901 10 1 GJCF CC[C@]1(c2cc(C)ccc2O)N[C@H](C)Cc2ccc(F)c(Br)c21 587820856 FYKILHSXKCPKGN-CWTRNNRKSA-N 378.285 4.790 10 1 GJCF O=C1c2ccccc2C(=O)c2c1cc(SCc1ccccc1)c1nsnc21 205707242 ZNIZEAISEMEJTC-UHFFFAOYSA-N 388.473 4.759 10 1 GJCF COc1cc(/C=C\c2nc3cc(Br)c(C)c(C)c3[nH]2)cc(O)c1O 587787098 ZLUZEKRRPIYLNA-PLNGDYQASA-N 389.249 4.532 10 1 GJCF O=c1cc2oc3cc(O)c(O)cc3c(-c3cccc(Cl)c3Cl)c-2cc1O 4904223 BQORZESIOCMVDH-UHFFFAOYSA-N 389.190 4.988 10 1 GJCF O=C1C[C@](c2ccccc2)(c2ccc(O)c(O)c2)Oc2c1ccc1c2CCCC1 587529854 FIUBACRYQCPVNR-VWLOTQADSA-N 386.447 4.886 10 1 GJCF COc1cc(Nc2c3ccccc3nc3ccccc23)cc(NS(C)(=O)=O)c1 27406331 YRPCNMZKWNJVHG-UHFFFAOYSA-N 393.468 4.512 10 1 GJCF Cc1cccc(NC(=S)N2N=C(c3ccc(O)cc3)C[C@@H]2c2ccco2)c1 45357457 TWYWKLFQWWAMKY-LJQANCHMSA-N 377.469 4.842 10 1 GJCF COc1cc(OC(C)C)ccc1N1CC(Oc2ccc([C@H](C)CC(C)=O)cc2)C1 96172869 ICBMFYJPDZKDGJ-QGZVFWFLSA-N 397.515 4.833 10 1 GJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Cl)ccc2O)N1 587703613 RDQZROHCYHIYMN-XLFHBGCDSA-N 384.676 4.745 10 1 GJCF Cc1c(C)c(O)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1O 587824032 YFJXFVWJGHDCDN-QPFGOUBPSA-N 394.284 4.548 10 1 GJCF O=[N+]([O-])c1ccc([C@H]2Nc3c(O)ccc(Br)c3[C@H]3C=CC[C@H]32)cc1 4165728 CMUIDCHCXUFPLC-OGHNNQOOSA-N 387.233 4.889 10 1 GJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(Cl)c2O)N1 587696976 VJVYLRQOIQKTLV-XLFHBGCDSA-N 384.676 4.745 10 1 GJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)cc(Cl)c2O)N1 587725765 FWQXVWCBNWIJJC-NZFNHWASSA-N 388.639 4.710 10 1 GJCF Oc1c([C@H](Nc2ncccn2)c2ccccc2F)cc(Cl)c2cccnc12 1772580692 XPWWGHMNJRDGDO-QGZVFWFLSA-N 380.810 4.724 10 1 GJCF CC[C@]1(c2ccc(C)cc2O)N[C@H](C)Cc2cc(Br)c(F)cc21 587822338 NBZQPAVQOKMEFJ-CWTRNNRKSA-N 378.285 4.790 10 1 GJCF CCc1ccc(O)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587823489 UQFARHJTPSWJPK-JEOXALJRSA-N 378.285 4.654 10 1 GJCF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(OC(F)(F)F)cc2O)N1 962951410 SWYAOONZPYHZDP-BBATYDOGSA-N 376.378 4.786 10 1 GJCF Cc1cc(-c2nnc3n2CCCCC3)c(C)n1-c1ccc(Br)cc1 103225952 VNVYZYFXCLGZPW-UHFFFAOYSA-N 385.309 4.842 10 1 GJCF CCCC(=O)c1cnc2c(OC)cccc2c1Nc1c(C)cc(O)c(O)c1C 13742191 BZCVZKHNWAPNDA-UHFFFAOYSA-N 380.444 4.998 10 1 GJCF CC(=O)OC1CCN([C@H](c2ccc(F)cc2)c2c(O)ccc3ccccc23)CC1 72180726 YCZOUVCOTZBMOL-XMMPIXPASA-N 393.458 4.801 10 1 GJCF COc1cc2c3c(c1)O[C@H](c1cc(C)n(-c4ccccc4OC)c1C)[C@@H](C2)C3=O 587431959 RYCCIUSUMLDNPY-MHECFPHRSA-N 389.451 4.600 10 1 GJCF Cc1c(CN2CCN(C)CC2)cc(-c2ccc(F)cc2)n1-c1ccc(F)cc1F 36472195 HEAOLCXKHKOCGX-UHFFFAOYSA-N 399.460 4.617 10 1 GJCF N[C@@H](N=O)c1ccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2c1 587078338 OGPMGQWPBRYPMV-ATNYCFDYSA-N 379.851 4.767 10 1 GJCF Oc1cc(-c2nc(Nc3ccc(Cl)cc3)c3ccccc3n2)cc(O)c1O 58590657 ZSGBXHXEPOOROG-UHFFFAOYSA-N 379.803 4.811 10 1 GJCF COc1ccc(-c2c(O)cc(O)c3c2C[C@@H](C)N[C@H]3C)c2cc(C)cc(OC)c12 33634085 PLLKZICNVDBVIE-KGLIPLIRSA-N 393.483 4.839 10 1 GJCF biogenic Cc1cc([C@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)c(C)n1-c1ccc(Cl)cc1 962901654 RNDROXVVQDFYTM-PZJWPPBQSA-N 398.865 4.575 10 1 GJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)cc(Cl)c2O)N1 587725762 FWQXVWCBNWIJJC-KWKYVRJSSA-N 388.639 4.710 10 1 GJCF Cc1cc(C)c(O)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587822588 POWOFAUZZHZMHW-BUXKBTBVSA-N 378.285 4.708 10 1 GJCF CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1F 26935919 IVTHGDVJTLMHTC-UHFFFAOYSA-N 381.432 4.642 10 1 GJCF O=C1c2ccccc2C(=O)c2c1cc(Sc1ccc(F)cc1)c1nsnc21 219721853 IDCSMKGRTGAXBF-UHFFFAOYSA-N 392.436 4.757 10 1 GJCF CCCOc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587798799 ZJLARVWEYFCNAO-WLRWDXFRSA-N 394.284 4.706 10 1 GJCF Nc1c(Br)cccc1-n1c(CCC(=O)O)ccc1-c1cccs1 587937704 WKBHZXALJWXMCI-UHFFFAOYSA-N 391.290 4.568 10 1 GJCF COc1ccc(-c2c(O)cc(O)c3c2C[C@H](C)N[C@@H]3C)c2cc(C)cc(OC)c12 33634082 PLLKZICNVDBVIE-UONOGXRCSA-N 393.483 4.839 10 1 GJCF biogenic CC[C@]1(c2cc(C)ccc2O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587819927 CEBNSAFDKRGBCA-BUXKBTBVSA-N 378.285 4.790 10 1 GJCF Cc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1C 587820453 DDYXMGFCRHJRJY-WYRIXSBYSA-N 378.285 4.708 10 1 GJCF CCOC(=O)[C@@]1(C)C(/N=N\c2ccccc2Cl)=C(O)C(=O)N1c1ccccc1 102742939 HNKMMWNZUCJYTD-UXDFZSADSA-N 399.834 4.562 10 1 GJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(Cl)ccnc3[nH]1)[C@H]1CC=C[C@@H]21 587271459 CFJVWWHZRIANMI-WQGACYEGSA-N 381.823 4.654 10 1 GJCF Cc1c(C)c(O)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1O 587824036 YFJXFVWJGHDCDN-WNWIJWBNSA-N 394.284 4.548 10 1 GJCF O=c1cc(-c2ccc(O)c(O)c2)oc2cc(OCC3CCCCC3)cc(O)c12 1857751266 XXHYMPNRMWFQBH-UHFFFAOYSA-N 382.412 4.536 10 1 GJCF COc1c(Nc2c3ccccc3nc3ccccc23)cccc1NS(C)(=O)=O 11616759 TVDGLYCGPBWLCV-UHFFFAOYSA-N 393.468 4.512 10 1 GJCF world CC(=O)N[C@@H](CSC/C=C(\C)CC/C=C(\C)CCC=C(C)C)C(=O)C=[N+]=[N-] 27632733 ZDCOXJRYDUMNAM-QHHPALHRSA-N 391.581 4.513 10 1 GJCF COC(=O)c1cc(C[C@@H]2C(C)=CC[C@H]3C(C)(C)CCC[C@]23C)c(O)c(O)c1O 13431226 SZRAUMXGPDDLLB-SAHWJRBASA-N 388.504 4.931 10 1 GJCF biogenic COc1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@@H]43)[nH]c2c1 587276865 OHQRXKHYUCGCCL-QEEYODRMSA-N 376.416 4.615 10 1 GJCF Cc1ccc(S(=O)(=O)Oc2ccccc2/N=N/c2ccc(O)cc2O)cc1 145940216 RXBJKMZZONCKBP-QZQOTICOSA-N 384.413 4.589 10 1 GJCF COc1cc(C)c(-c2c(O)cc(O)c3c2C[C@@H](C)N(C)[C@H]3C)c2cccc(O)c12 2356709100 OXCYAWQTEUVBOF-KGLIPLIRSA-N 393.483 4.878 10 1 GJCF COc1cccc(NC(=S)N2N=C(c3ccc(O)cc3)C[C@H]2c2ccco2)c1 45389726 XXQOTYNBNCAALK-IBGZPJMESA-N 393.468 4.542 10 1 GJCF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3ccc4c(c3O)CCCC4)[nH]c21 586897437 FJDBQGBBOHNVHU-UHFFFAOYSA-N 394.430 4.590 10 1 GJCF CCc1ccc(-n2c(C)cc([C@@H]3c4ccsc4CCN3C(N)=O)c2C)cc1 962710554 MJAVEITVHBBVSY-NRFANRHFSA-N 379.529 4.744 10 1 GJCF COc1cc2nc3c(cc2c(CN(C)C)c1O)CSc1c(C)cc(C)cc1-3 43012226 UFDOTWNZSZWLFE-UHFFFAOYSA-N 380.513 4.900 10 1 GJCF Oc1cc(F)cc(Br)c1[C@@H]1c2ccc(F)cc2C[C@H]2CCCN12 963106818 NXVAZMIGKAOYMT-ACJLOTCBSA-N 380.232 4.543 10 1 GJCF Oc1cc2ncnc(Nc3ccc(OCc4ccc(F)cc4)cc3)c2cc1O 1857534451 UISZUGFCRKXVBF-UHFFFAOYSA-N 377.375 4.503 10 1 GJCF CC(=CC=C[C@H](C)CCC=C(C)[C@H]1OC(=O)C(=O)C1=O)CCCc1ccoc1 2356613527 OTLUUQOHVRZSKD-KSFYIVLOSA-N 384.472 4.531 10 1 GJCF CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@@H]1/N=N\c1cccc(O)c1 102664168 PNRJHXQNMQTJEC-LINNUKDLSA-N 391.456 4.699 10 1 GJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(C)cnc(Cl)c3[nH]1)[C@@H]1CC=C[C@@H]21 587272568 VLABGTTZZRIQLO-XNJGSVPQSA-N 395.850 4.963 10 1 GJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Cl)ncc3[nH]1)[C@H]1CC=C[C@@H]21 587272900 XTQPSBQYTJAQES-SOZUMNATSA-N 381.823 4.654 10 1 GJCF CC(=O)OC1CCN([C@H](c2ccc(C)cc2)c2c(O)ccc3ccccc23)CC1 72180502 IVOHJWONGBYPBH-RUZDIDTESA-N 389.495 4.971 10 1 GJCF O=c1oc2ccccc2cc1C1=NN(c2ccccc2)[C@@H](c2ccc(O)c(O)c2)C1 96932486 HROSMEJLZZYDJV-HXUWFJFHSA-N 398.418 4.560 10 1 GJCF CCOC(=O)[C@]1(C)C(N=Nc2cccc(Cl)c2)=C(O)C(=O)N1c1ccccc1 299813104 OMKNGPROZOYFFI-FQEVSTJZSA-N 399.834 4.562 10 1 GJCF CC(=O)c1ccc(N2CCN(c3c(C)c(C)c4c(c3C)CC(C)(C)O4)CC2)cc1 114332120 VXMVVYWBIBPCBY-UHFFFAOYSA-N 392.543 4.855 10 1 GJCF O=C1c2ccccc2C(=O)c2c1cc(Sc1cccc(F)c1)c1nsnc21 219713443 IJYDUPLBULKFNJ-UHFFFAOYSA-N 392.436 4.757 10 1 GJCF C[C@@]1(c2cccc(NC(=O)CN=[N+]=[N-])c2)CC(=O)c2ccc3c(c2O1)CCCC3 587512397 XIHWORRFPZJHCK-QFIPXVFZSA-N 390.443 4.695 10 1 GJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Cl)ccc2O)N1 587695423 BFUWNGJMXTXUNI-VVVCHXIZSA-N 384.676 4.745 10 1 GJCF COc1cc2c(cc1OC)[C@@H](c1c(O)cc(C(F)(F)F)cc1F)N(C)[C@@H](C)C2 962638179 OXECNMGPYGPKDS-OVWNDWIMSA-N 399.384 4.533 10 1 GJCF COc1cc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@H]43)[nH]c2cc1F 587275816 GTOYKJDEWJUMCC-VFGMZZLHSA-N 394.406 4.754 10 1 GJCF CCN(CC)Cc1cc(Nc2cc[n+]([O-])c3cc(Cl)ccc23)cc(C)c1O 28012285 JFPYLBXPDSSTDY-UHFFFAOYSA-N 385.895 4.726 10 1 GJCF CCCOc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587798801 ZJLARVWEYFCNAO-WYRIXSBYSA-N 394.284 4.706 10 1 GJCF Clc1ccc2c(c1)Oc1cc(Cl)c(Cl)cc1N2CCc1nn[nH]n1 621485646 CXTSOPAQFDNBFD-UHFFFAOYSA-N 382.638 4.646 10 1 GJCF COc1ccc2nc3ccccc3c(NC(=S)NCCc3cccs3)c2c1 45284365 MUXKMHNYYWNVJH-UHFFFAOYSA-N 393.537 4.987 10 1 GJCF CN1c2ccccc2C(=O)N2CCc3c(n(Cc4ccccc4)c4ccccc34)[C@H]21 64453546 JLZMNPQHVZPOMM-VWLOTQADSA-N 393.490 4.837 10 1 GJCF CC(=O)C[C@@H](C)c1ccc(OC2CN(c3ccc(OCC4CC4)cc3F)C2)cc1 96172899 MNZJFTAJMZJYSP-MRXNPFEDSA-N 397.490 4.965 10 1 GJCF O=C(CCCCCNCc1cc(Cl)c2cccnc2c1O)Nc1ccccc1 1857615123 ZBSNKMXWTMTTIP-UHFFFAOYSA-N 397.906 4.883 10 1 GJCF CC(C)=CCc1c2c(c(O)c3c(=O)c4cc(O)c(O)cc4oc13)C(C)(C)[C@H](C)O2 13411998 PLLOTPLQTBKOBW-NSHDSACASA-N 396.439 4.630 10 1 GJCF biogenic CCCCN1C(=O)C2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2)cc1 13809126 UOKNLTXKKVAFNA-UHFFFAOYSA-N 376.500 4.800 10 1 GJCF CC(C)=CCOc1cc(O)c2c(=O)c3cc(O)c(O)cc3oc2c1CC=C(C)C 14763070 BSTCBFOOKDBOOF-UHFFFAOYSA-N 396.439 4.917 10 1 GJCF biogenic O=S(=O)(O)c1cccc2c(/N=N\c3ccc(O)c4ncccc34)cccc12 102745077 CWPNTHMHJUMFNM-DQRAZIAOSA-N 379.397 4.756 10 1 GJCF Cc1cc(C)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587823876 WZQPOSCRHLPTKT-BUXKBTBVSA-N 378.285 4.708 10 1 GJCF Cc1ccc2nc3ccccc3c(N3CCN(C(=O)c4ccccc4)CC3)c2c1 9885158 OQOBWDMRAWVRLH-UHFFFAOYSA-N 381.479 4.659 10 1 GJCF Oc1ccc(NC(=S)/N=N/c2c(O)[nH]c3ccc(Br)cc23)cc1 101491872 ACKCEYIVRXUHDK-FMQUCBEESA-N 391.250 4.822 10 1 GJCF CC(=O)N[C@@H](C)CCc1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1 149971123 IKOHQCQVJBTZRT-SFHVURJKSA-N 392.543 4.536 10 1 GJCF CC(=O)N[C@@H](C)c1ccc(C2CN(c3ccc(OC4CCCC4)cc3)C2)cc1 149973672 LGUQVSVVJQBFCQ-KRWDZBQOSA-N 378.516 4.809 10 1 GJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](/C=C/c2ccc(N(C)C)cc2)N1 587758553 YAUBCXSYYWOPAB-RMEGVTILSA-N 389.312 4.943 10 1 GJCF Cc1cc(C2=NN(C(=O)c3ccncc3)[C@H](c3ccc(Cl)cc3)C2)ccc1O 35013062 SUDCPFDNHVXWEY-FQEVSTJZSA-N 391.858 4.741 10 1 GJCF CC(C)=CCc1c(O)c(O)cc2c(=O)c3c4c(c(O)cc3oc12)C(C)(C)[C@H](C)O4 299826742 DXLLCIZIWGLPGA-NSHDSACASA-N 396.439 4.630 10 1 GJCF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)cc1)(c1ccc(O)c(O)c1)O2 587377014 FRNJQJKIPJNINI-JOCHJYFZSA-N 395.842 4.551 10 1 GJCF Cc1cc(O)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl 587694240 PRGLIYDSXNUNOS-XYZCENFISA-N 384.676 4.879 10 1 GJCF CC(C)c1ccccc1[C@@H]1CC(c2ccc(O)cc2)=NN1C(=O)c1cccnc1 1772616674 FYTBWPGEIIEQMR-QHCPKHFHSA-N 385.467 4.902 10 1 GJCF Cc1cnc(SC[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587609726 DBYOHWKYOHPXAH-OXJNMPFZSA-N 399.493 4.670 10 1 GJCF CCOC(=O)[C@@]1(C)C(/N=N/c2cccc(Cl)c2)=C(O)C(=O)N1c1ccccc1 101897988 OMKNGPROZOYFFI-QAHCAUCSSA-N 399.834 4.562 10 1 GJCF COC(=O)[C@]12CCCC(C)(C)[C@@H]1C[C@H](OC)c1cc(C(C)C)c(O)c(O)c12 1857591211 CBMYMGVEDZJJKH-PONJGIIJSA-N 376.493 4.550 10 1 GJCF Cc1cc2c(c(O)c1Br)C(=O)C(=O)C[C@]1(C)CC[C@H](C(C)C)[C@H]21 211316729 VXWUTGGQGOJSKP-VWCVUJCZSA-N 379.294 4.775 10 1 GJCF O=C1c2ccccc2C(=O)[C@H](CCCc2ccc(Oc3ccccc3)cc2)[C@H]1O 102198534 CMFULNRWJMQIDR-WIOPSUGQSA-N 386.447 4.858 10 1 GJCF O=C(N=Nc1c(O)n([C@@H]2OC(=O)c3ccccc32)c2ccccc12)c1ccco1 299812511 DMFOUMKRDVWWBK-HXUWFJFHSA-N 387.351 4.581 10 1 GJCF Nc1ccc(Oc2ccc3nc(C[C@@H]4OCCc5ccsc54)[nH]c3c2)cc1 587035853 UUXJAXCHAGCXTG-IBGZPJMESA-N 377.469 4.855 10 1 GJCF Cc1ccc2c3c(cc(C4C(=O)c5ccccc5C4=O)nc13)-c1ccccc1C2=O 587101762 VPKNCBHPQQBNMH-UHFFFAOYSA-N 389.410 4.917 10 1 GJCF Cc1cccc(NC(=O)Cc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c1C 587239768 XEQOUPWUYUAPFZ-UHFFFAOYSA-N 386.455 4.735 10 1 GJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc([N+](=O)[O-])c3[nH]1)[C@@H]1CC=C[C@H]21 587276405 LDNKXOKFYPEXAP-JCGVRSQUSA-N 391.387 4.514 10 1 GJCF COc1ccc([C@@H](O)[C@H](C)c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc1 587934416 DMSINOVYMLJZHY-FPTDNZKUSA-N 389.455 4.783 10 1 GJCF Cc1cc(O)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C 587822944 RVEMVXNRGTUNGW-BUXKBTBVSA-N 378.285 4.708 10 1 GJCF Oc1c([C@H](Nc2ncccn2)c2ccc(F)cc2)cc(Cl)c2cccnc12 1772613085 LBFWHGGINDRKHJ-QGZVFWFLSA-N 380.810 4.724 10 1 GJCF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3csc4ccc(O)cc34)[nH]c21 587032357 IKXIUUYJZJTSGP-UHFFFAOYSA-N 396.427 4.926 10 1 GJCF CC[C@@]1(c2cccc(Cl)c2O)c2cc(OC)c(OC)cc2C[C@H](C)N1C 962627011 KHUJCFPYFPTFTH-YEJXKQKISA-N 375.896 4.593 10 1 GJCF [N-]=[N+]=NCCCN1CCC[C@H](COC(=O)c2ccccc2-c2ccccc2)C1 82150293 AJSHLWHIUSWBIR-SFHVURJKSA-N 378.476 4.923 10 1 GJCF COc1ccc(N2CCN(c3cc(-c4ccccn4)nc4ccccc34)CC2)cc1 96269562 JSKOBBAIXHUWTC-UHFFFAOYSA-N 396.494 4.632 10 1 GJCF O=C(C(=O)c1ccccn1)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 66258351 SRWJPUABGKSYDP-UHFFFAOYSA-N 399.233 4.706 10 1 GJCF O=C1c2ccccc2C(=O)c2c1ccc1nc([C@@H]3C[C@@H]3c3cccc(F)c3)[nH]c21 587162714 YNMVESBMGQTTIH-QZTJIDSGSA-N 382.394 4.749 10 1 GJCF Nc1ccc(Oc2ccc3nc(-c4cc(Br)cnc4F)[nH]c3c2)cc1 587177866 DAXKDDWPIOFRLH-UHFFFAOYSA-N 399.223 4.901 10 1 GJCF O=C(c1ccccc1NCc1ccc2cnccc2c1)c1n[nH]c2ccccc12 40875017 UAVAQFBWBVCGMG-UHFFFAOYSA-N 378.435 4.954 10 1 GJCF CC(=O)OC1CCN([C@@H](c2ccc(C)cc2)c2c(O)ccc3ccccc23)CC1 72180501 IVOHJWONGBYPBH-VWLOTQADSA-N 389.495 4.971 10 1 GJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccnc(Cl)c3[nH]1)[C@H]1CC=C[C@@H]21 587273043 ZAZAJSPGOAXZOZ-WQGACYEGSA-N 381.823 4.654 10 1 GJCF Cc1cc(O)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl 587695342 RPPJRDDAIHTICC-VVVCHXIZSA-N 384.676 4.879 10 1 GJCF CN(C)c1ccc(-c2cc3c4c(c2)-c2c(ccc(O)c2O)C[C@H]4N(C)CC3)cc1 40392711 BSBMMXOBOAVGQD-OAQYLSRUSA-N 386.495 4.583 10 1 GJCF Cc1ccccc1C(C)(C)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587955689 TUWRDCGTHFEDCF-UHFFFAOYSA-N 380.447 4.973 10 1 GJCF Cc1cc(C=Cc2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccn1 1911578379 UYCOWDUQKMIPSQ-UHFFFAOYSA-N 383.519 4.703 10 1 GJCF CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\Nc1ccc(Cl)c2cccnc12 100515292 OOKBOIROONBISQ-ATVHPVEESA-N 376.847 4.915 10 1 GJCF COc1cc(/C=C/c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc(O)c1O 587786485 UQGWVUPQFGZVQA-XNWCZRBMSA-N 389.411 4.528 10 1 GJCF Cc1cc(O)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C 587822266 MMTGROMVZWAKQI-CWTRNNRKSA-N 378.285 4.708 10 1 GJCF CCc1ccc(-n2c(C)cc([C@H]3c4ccsc4CCN3C(N)=O)c2C)cc1 962710568 MJAVEITVHBBVSY-OAQYLSRUSA-N 379.529 4.744 10 1 GJCF Nc1ccc(Nc2nc(-c3ccccc3)nc3c2ncn3Cc2ccccc2)cc1 40424850 RVUVWWRSIWGIQQ-UHFFFAOYSA-N 392.466 4.867 10 1 GJCF in-vivo Oc1ccc(Cl)c(F)c1[C@@H]1c2cccc(F)c2CCN1[C@H]1CCSC1 962720474 UILPIICLIZYIGG-WLRWDXFRSA-N 381.875 4.777 10 1 GJCF C/C=C/C=C(\C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)cccc1C3=O 85594007 ZXIQVHNSLVXOKG-RKEQOFPCSA-N 386.403 4.562 10 1 GJCF CCNc1cc(C(=O)O)cc(OCc2ccccc2)c1C(=O)c1ccccc1 169343318 LTAPKUZTPMDLPA-UHFFFAOYSA-N 375.424 4.627 10 1 GJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(c2)C[C@@H](C)N3C)N1 587760831 LZQYAPOLJURFEV-FKANQGBASA-N 389.312 4.593 10 1 GJCF Cc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccccc3nc2c1 5138902 MIQXPRFXQPFOSN-UHFFFAOYSA-N 377.469 4.812 10 1 GJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(Cl)c2O)N1 587691826 IREMTKMDODUOEE-XYZCENFISA-N 384.676 4.745 10 1 GJCF CC(C)(C)c1cc(I)c(O)c(CNC2CCCCC2)c1 27869153 SADTVBOTSASOFI-UHFFFAOYSA-N 387.305 4.717 10 1 GJCF O[C@]1(C(F)(F)F)CC(c2ccccc2)=NN1c1ccnc2cc(Cl)ccc12 28568297 GVHJGAFWVWTQQX-SFHVURJKSA-N 391.780 4.754 10 1 GJCF COc1cc2c(cc1OC)[C@](c1ccccc1)(c1ccccc1O)N(C)[C@@H](C)C2 962626881 NONUTMRLXDITFC-GKVSMKOHSA-N 389.495 4.578 10 1 GJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(C)cnc(Cl)c3[nH]1)[C@@H]1CC=C[C@H]21 587272565 VLABGTTZZRIQLO-AHIWAGSCSA-N 395.850 4.963 10 1 GJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(c2)CCCN3C)N1 587768690 VRVOONBNDIPZFH-YUNKPMOVSA-N 389.312 4.594 10 1 GJCF C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(c1ccccc1)CCN2CCc1ccc(N)cc1 169314772 KNYMXYHIQUFFKH-PIVNMMCNSA-N 398.550 4.770 10 1 GJCF O=C1/C(=C/c2ccccc2Cl)SC(=S)N1Cc1nc2ccccc2[nH]1 103175738 QIPMARAZZVBFQD-DHDCSXOGSA-N 385.901 4.618 10 1 GJCF Cc1ccc(/C=C\c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1F 587146387 KECKJMCCEBPEEY-FLIBITNWSA-N 382.394 4.956 10 1 GJCF CC(=O)c1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@@H]43)[nH]c2c1 587276115 JHYFVCSBMOUYCO-CKJXQJPGSA-N 388.427 4.809 10 1 GJCF COc1ccc2c(c1)[C@@]1(Cc3ccccc3)CCN(C)[C@@H]1N2Cc1ccccc1 169369012 DPNSCHBYEBLOPZ-FTJBHMTQSA-N 384.523 4.858 10 1 GJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N(C)C)cc2Cl)N1 587693354 JRYVLNLGGBNULL-MGNBDDOMSA-N 397.719 4.931 10 1 GJCF CC[C@@]1(c2cc(C)ccc2O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587819931 CEBNSAFDKRGBCA-HXPMCKFVSA-N 378.285 4.790 10 1 GJCF COc1ccc2c(c1OC)[C@@H](c1ccc(N3CCCCC3)cc1)N(C)[C@H](C)C2 962628104 OFSYQCOUECYYAL-UZUQRXQVSA-N 380.532 4.660 10 1 GJCF COc1c(C)c(O)c2c(=O)cc(-c3cc(O)c(O)c(CC=C(C)C)c3)oc2c1C 14727468 PCAHZXLEUZEBMU-UHFFFAOYSA-N 396.439 4.711 10 1 GJCF biogenic O=[N+]([O-])c1ccc([C@H]2Nc3c(O)ccc(Br)c3[C@@H]3C=CC[C@@H]23)cc1 22309357 CMUIDCHCXUFPLC-PBFPGSCMSA-N 387.233 4.889 10 1 GJCF O[C@@]1(C(F)(F)F)CC(c2ccccc2)=NN1c1ccnc2cc(Cl)ccc12 28568296 GVHJGAFWVWTQQX-GOSISDBHSA-N 391.780 4.754 10 1 GJCF O=c1oc2ccccc2cc1C1=NN(c2ccccc2)[C@H](c2ccc(O)cc2O)C1 96932487 VBGMBGSDDWRLFP-NRFANRHFSA-N 398.418 4.560 10 1 GJCF CCN(C)c1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587742885 USECBRITHZXJLL-RNODOKPDSA-N 391.328 4.842 10 1 GJCF C[C@@H]1C(=O)[C@@H](C)[C@H](c2cc(Cl)ccc2O)N[C@@H]1c1cc(Cl)ccc1O 34859713 YBLSMVRDZNJMBC-LXQUVBGXSA-N 380.271 4.632 10 1 GJCF CC(=O)O[C@@H]1C[C@H](C)c2c(cc(C(=O)O)c(O)c2O)[C@H]1[C@@H](C)CCC=C(C)C 2356510279 SPQIFYGJYQZMOT-RPLLJCPNSA-N 390.476 4.701 10 1 GJCF COc1cc(C)c(-c2c(O)cc(O)c3c2C[C@@H](C)N(C)[C@@H]3C)c2cccc(O)c12 2356709101 OXCYAWQTEUVBOF-ZIAGYGMSSA-N 393.483 4.878 10 1 GJCF COc1cc2c3c(c1)O[C@@H](c1cc(C)n(-c4ccc(F)cc4)c1C)[C@@H](C2)C3=O 587428435 NAPZKEDWOQNZAN-CVDCTZTESA-N 377.415 4.731 10 1 GJCF Cc1ccccc1-c1cc(CN2CCN(C)CC2)c(C)n1-c1ccc(F)cc1 36471945 WICKOTDXIXMCRU-UHFFFAOYSA-N 377.507 4.648 10 1 GJCF Cc1ccc(CN2CCN(c3ccc(-c4nc5ccccc5o4)cc3)CC2)cn1 95590761 DSSCLZRDKCJCPH-UHFFFAOYSA-N 384.483 4.520 10 1 GJCF CC(=O)N[C@H](C)c1ccc(C2CN(c3ccc(OC4CCCC4)cc3)C2)cc1 149973411 LGUQVSVVJQBFCQ-QGZVFWFLSA-N 378.516 4.809 10 1 GJCF CC(C)=CCc1c2c(c3oc4cc(O)c(O)cc4c(=O)c3c1O)C=CC(C)(C)O2 13411990 ZWHLXBWONQGJLD-UHFFFAOYSA-N 394.423 4.756 10 1 GJCF biogenic Nc1ccc(Oc2ccc3nc([C@@H](N)Cc4ccccc4Cl)[nH]c3c2)cc1 587058569 GVYHKOHYCVCWCY-SFHVURJKSA-N 378.863 4.833 10 1 GJCF COc1cc(C2=NN(C(=O)Oc3ccccc3)[C@@H](c3ccccc3)C2)ccc1O 653737616 KQLSQVZEGAIHJB-HXUWFJFHSA-N 388.423 4.751 10 1 GJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(O)ccc(Cl)c2F)N1 587714432 FNIJTKDNNOHTJE-VGDKGRGNSA-N 388.639 4.710 10 1 GJCF COc1ccc([C@H]2CN(c3c(C)c(C)c4c(c3C)CC(C)(C)O4)CCN2C)cc1 114329285 RDDISMSLWDCRHM-JOCHJYFZSA-N 394.559 4.827 10 1 GJCF Cc1ccccc1Sc1cc2c(c3nsnc13)C(=O)c1ccccc1C2=O 473111585 AJJNRQDYDHATNS-UHFFFAOYSA-N 388.473 4.926 10 1 GJCF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OC(C)C)cc3C)C2)cc1 1772641318 QIWYIZVRKXNTEX-FDDCHVKYSA-N 396.531 4.637 10 1 GJCF Oc1ccc2[nH]c(-c3ccc(OC(F)(F)F)cc3)nc2c1CNC1CCCC1 45193836 PFTBTUJAZWMOQE-UHFFFAOYSA-N 391.393 4.866 10 1 GJCF CC1(C)[C@H]2CC[C@@]1(C)[C@@H](OC(=O)/C=C/c1cc(O)c(O)c(Br)c1)C2 299828268 HWNIHEICEKMZER-UHSAMIASSA-N 395.293 4.632 10 1 GJCF O=C1C[C@H](c2ccc(O)c(CN3CCCCC3)c2)Oc2c1ccc1c2CCCC1 587512083 BQNPPZSYYFNHML-XMMPIXPASA-N 391.511 4.963 10 1 GJCF CCOc1ccc(O)c([C@]2(C)c3ccsc3CCN2Cc2cccnc2)c1 962996361 JIEZBYYJRQJVOA-QFIPXVFZSA-N 380.513 4.569 10 1 GJCF CCC(=O)N1c2ccccc2N=C2CCCC(=O)[C@H]2[C@H]1c1ccc(N(C)C)cc1 13081284 ARCASDKSEGBXHN-BJKOFHAPSA-N 389.499 4.692 10 1 GJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(Cl)ccnc3[nH]1)[C@@H]1CC=C[C@H]21 587271457 CFJVWWHZRIANMI-OZVIIMIRSA-N 381.823 4.654 10 1 GJCF Cc1cc(O)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl 587694237 PRGLIYDSXNUNOS-HUTHGQBESA-N 384.676 4.879 10 1 GJCF CCOc1cc(-n2c(C)cc3c2CC(C)(C)CC3=O)c(Cl)cc1C(=O)O 587941279 NYINUPVWZQXVJZ-UHFFFAOYSA-N 375.852 4.691 10 1 GJCF CC(C)=CCc1c2c(c(O)c3c(=O)c4ccc(O)c(O)c4oc13)C(C)(C)[C@H](C)O2 15256063 MPGIKBDCZHZTJM-NSHDSACASA-N 396.439 4.630 10 1 GJCF biogenic Cc1ccccc1-n1c(-c2ccc(F)cc2)cc(CN2CCN(C)CC2)c1C 36471727 NAVRSZCBODQZNP-UHFFFAOYSA-N 377.507 4.648 10 1 GJCF COc1cccc(O)c1CN1CCC[C@H](C(=O)c2cccc(C(F)(F)F)c2)C1 12315001 TYWFLGNJKJLSCT-HNNXBMFYSA-N 393.405 4.515 10 3 GJCF Cc1ccc(C2=NN[C@@]3(S2)C(=O)N(Cc2ccccc2)c2ccc(C)cc23)cc1 28824761 VQNLWQPAZKLZQZ-DEOSSOPVSA-N 399.519 4.701 10 1 GJCF O=C1CC(=O)N(c2ccc(Cl)c(Cl)c2)N1c1ccc(Cl)c(Cl)c1 100488797 KBOPONVQGFIHKE-UHFFFAOYSA-N 390.053 4.985 10 1 GJCF O=C(O)c1cc(-c2[nH]c3c(C(=O)O)cccc3c2-c2ccc(Cl)cc2)c[nH]1 587638476 MEYCJHNRPMBTMM-UHFFFAOYSA-N 380.787 4.880 10 1 GJCF Cc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12 5138872 BZHJXUUKGJNTKL-UHFFFAOYSA-N 377.469 4.812 10 1 GJCF CCCc1c(O)ccc2c1OC1(CCN(c3ccc4c(c3)CCC4)CC1)CC2=O 587474527 HRSDMYRMKNDDMJ-UHFFFAOYSA-N 391.511 4.838 10 1 GJCF NCCCCCCCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2 28640609 NBRKQTFPCYIJKB-UHFFFAOYSA-N 388.511 4.902 10 1 GJCF Nc1ccc(Oc2ccc3nc(-c4cc(F)nc(N5CCCC5)c4)[nH]c3c2)cc1 587177784 ZMTAQONNYSZJKP-UHFFFAOYSA-N 389.434 4.739 10 1 GJCF Cc1cc(C)c(O)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587821293 HEWHZKXPOGDCIH-BUXKBTBVSA-N 378.285 4.708 10 1 GJCF COc1ccc(N2CCN(Cc3ccccc3-c3ccccc3)CC2)cc1OC 96910016 UBXKHAJFXICHHO-UHFFFAOYSA-N 388.511 4.693 10 1 GJCF Cc1cc2[nH]c([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@H]43)nc2c(C)n1 587276844 OABYROOWBLOPQE-BXTJHSDWSA-N 375.432 4.618 10 1 GJCF CC[C@]1(c2ccc(N(C)C)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587753741 HZNJUTBPMOCZPG-ZUOKHONESA-N 391.328 4.842 10 1 GJCF CCCc1c(O)ccc2c1O[C@@H](c1c(C)n(C)c3ccc(OC)cc13)CC2=O 587471270 PKERXNNQWQDAGB-OAQYLSRUSA-N 379.456 4.860 10 1 GJCF O=C(N=Nc1ccc([N+](=O)[O-])cn1)Nc1ccc(NNc2ccccc2)cc1 263591583 KEYNHXGGLRTMEB-UHFFFAOYSA-N 377.364 4.745 10 3 GJCF C/C(=C\C=C\[C@@H](C)CC/C=C(\C)[C@@H]1OC(=O)C(=O)C1=O)CCCc1ccoc1 238737931 OTLUUQOHVRZSKD-BASVNBLJSA-N 384.472 4.531 10 1 GJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Cl)ccc2O)N1 587695429 BFUWNGJMXTXUNI-XYZCENFISA-N 384.676 4.745 10 1 GJCF O=C(N[C@@H](c1ccco1)c1cc(Cl)c2cccnc2c1O)c1ccsc1 169341722 CZHKCJHRLUWKGT-MRXNPFEDSA-N 384.844 4.768 10 1 GJCF COc1ccc(OC)c(-c2ccc(O)c(CNC[C@@H]3C[C@H]4C=C[C@H]3C43CC3)c2)c1 253683037 KLJGVWUTMKTLBU-LRXVAGHRSA-N 391.511 4.768 10 1 GJCF O=C1c2ccccc2C(=O)[C@H](CCCc2ccc(Oc3ccccc3)cc2)[C@@H]1O 102198526 CMFULNRWJMQIDR-DHLKQENFSA-N 386.447 4.858 10 1 GJCF Cc1ncc(-c2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)c(=N)[nH]1 587922651 RUEMCSGUXAFZAW-UHFFFAOYSA-N 379.464 4.535 10 1 GJCF CC[C@H](c1ccc(O)c(CN(C)C)c1)[C@H](CC)c1ccc(O)c(CN(C)C)c1 40466228 HAOPAWWUCDCDQS-FGZHOGPDSA-N 384.564 4.908 10 1 GJCF Cc1ccc([C@@H]2N=C(c3ccc4c(c3)OCO4)C[C@@H](c3ccccc3O)N2)cc1 53363239 MGVYUAIJJICLBX-GBXCKJPGSA-N 386.451 4.652 10 1 GJCF COc1ccc(OC)c(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c1OC 587925601 DFHVZSPIMAGVPZ-UHFFFAOYSA-N 391.427 4.630 10 1 GJCF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(C(=O)C(=O)c3ccccc3)cc1)O2 587406603 SSLPQZROIJBPOG-RUZDIDTESA-N 399.446 4.523 10 1 GJCF O=C(O)c1ccc(N[C@@H](c2ccc(F)cc2)c2ccc3cccnc3c2O)cc1 653798408 NTZWCBKEWMKKBJ-FQEVSTJZSA-N 388.398 4.979 10 1 GJCF Cc1c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)[nH]c2cc(O)nc(O)c12 587107911 WSWODOUUVBSBJH-UHFFFAOYSA-N 393.402 4.709 10 1 GJCF O=C(Cc1ccccc1)N[C@@H](c1ccco1)c1cc(Cl)c2cccnc2c1O 890447 GEMUFCURVXNVJY-HXUWFJFHSA-N 392.842 4.635 10 1 GJCF Nc1ccc(N2CCN3C[C@H]2CC[C@@H]3C(c2ccccc2)c2ccccc2)cc1 36177549 PTIQIHWOJDNCHH-JWQCQUIFSA-N 383.539 4.754 10 1 GJCF Nc1ccc(Oc2ccc3nc(-c4csc([C@H]5CCCO5)n4)[nH]c3c2)cc1 587015715 ABDNIVPEYVJTCD-GOSISDBHSA-N 378.457 4.912 10 1 GJCF CC(=O)OC1CCN([C@@H](c2ccc(F)cc2)c2c(O)ccc3ccccc23)CC1 72180725 YCZOUVCOTZBMOL-DEOSSOPVSA-N 393.458 4.801 10 1 GJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCCC3)cc2)N1 587765597 KLQDKZKRJRDBSZ-RNODOKPDSA-N 389.312 4.812 10 1 GJCF Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)NCc2ccccc2O)cc1 84723875 BNMBFSLUGQGTDM-UHFFFAOYSA-N 378.476 4.506 10 1 GJCF CCCN1CCN(CCCCNc2c3ccccc3nc3ccccc23)CC1 45195769 LBGPFRGCVIFWHJ-UHFFFAOYSA-N 376.548 4.608 10 1 GJCF Cc1nn(-c2ccccc2)c(-c2ccccc2)c1[C@H]1CC(c2ccc(N)cc2)=NN1 103171865 JBXVFAWUSIPQAO-HSZRJFAPSA-N 393.494 4.869 10 1 GJCF COC(=O)c1cc(-n2c(C)cc3c2CCCC3)c(Cl)cc1Br 587937700 WIABFZABNKPNKZ-UHFFFAOYSA-N 382.685 4.867 10 1 GJCF COc1ccc([C@H](O)[C@@H](C)c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc1 587934419 DMSINOVYMLJZHY-JLCFBVMHSA-N 389.455 4.783 10 1 GJCF CCN(C)c1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587742886 USECBRITHZXJLL-XCLFUZPHSA-N 391.328 4.842 10 1 GJCF CN(C)c1ccc(CNc2nccc3nc(-c4ccc(F)c(F)c4)[nH]c23)cc1 1857592271 IGXBNLSWTNRANX-UHFFFAOYSA-N 379.414 4.581 10 1 GJCF Cc1ccc(NC2(c3cc(C)c(C)cc3N)C(=O)c3ccccc3C2=O)cc1C 98084689 JUTJDFSLCXOXKO-UHFFFAOYSA-N 384.479 4.889 10 1 GJCF Cc1cc2c(NC(=O)NCc3ccc(N4CCCC4)c(F)c3)cccc2cn1 14973494 XWXWYZJVQIDZNC-UHFFFAOYSA-N 378.451 4.604 10 1 GJCF CCOC(=O)[C@@]1(C)C(N=Nc2ccccc2Cl)=C(O)C(=O)N1c1ccccc1 254010489 HNKMMWNZUCJYTD-HXUWFJFHSA-N 399.834 4.562 10 1 GJCF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(-c3ccc(N(C)C)cc3)c1C)O2 587388477 CRGMRWCWGXYERN-HSZRJFAPSA-N 389.499 4.757 10 1 GJCF CCOC(=O)C1=C(C)N=C2Sc3ccccc3N2[C@@H]1c1ccc(N(C)C)cc1 103212752 FEWUNIPESAYXJV-HXUWFJFHSA-N 393.512 4.613 10 1 GJCF O=C(N=Nc1c(O)n([C@H]2OC(=O)c3ccccc32)c2ccccc12)c1ccco1 299812510 DMFOUMKRDVWWBK-FQEVSTJZSA-N 387.351 4.581 10 1 GJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(O)cccc2Cl)N1 587692069 JNHHKULOXLYLHB-VVVCHXIZSA-N 384.676 4.745 10 1 GJCF COc1cccc(-c2ccc(O)c(CN3CCC(Cc4ccccc4)CC3)c2)n1 45334378 RHVHYQZJWGADRA-UHFFFAOYSA-N 388.511 4.918 10 1 GJCF CC(=O)N1N=C(c2ccc(OCC=C(C)C)cc2O)C[C@H]1c1ccc(C)cc1 64539144 VUEPLHFZPTVGPZ-QFIPXVFZSA-N 378.472 4.743 10 1 GJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(F)cnc(Cl)c3[nH]1)[C@@H]1CC=C[C@H]21 587276605 NCUQJDZZSZBQKT-RWSFTLGLSA-N 399.813 4.794 10 1 GJCF O=C1CCc2cc3nc([C@H]4Nc5ccc(Cl)cc5[C@H]5C=CC[C@H]54)[nH]c3cc2N1 587080642 OCHRLJNSLTTYMH-QTCYRWPVSA-N 390.874 4.928 10 1 GJCF CC(C)N(CCOc1ccc2c3c(oc2c1)C(=O)c1ccccc1C3=O)C(C)C 28713980 OBPYWCNNZZRYSP-UHFFFAOYSA-N 391.467 4.706 10 1 GJCF CC1CCN(Cc2c(O)ccc3c(CN4CCC(C)CC4)c(O)ccc23)CC1 45301408 XWPFGWNNQRWSIT-UHFFFAOYSA-N 382.548 4.715 10 1 GJCF Cc1ccc([C@H]2CC(c3cc(Cl)ccc3O)=NN2C(=O)c2ccncc2)cc1 299839422 RNWXYIRPOODILF-HXUWFJFHSA-N 391.858 4.741 10 1 GJCF Cc1c(CN2CCN(C)CC2)cc(-c2ccc(Cl)cc2)n1-c1ccccc1 22035236 SOLADHUNVIQDNM-UHFFFAOYSA-N 379.935 4.854 10 1 GJCF CC[C@@]1(c2cc(F)ccc2O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587728020 CNKKASHNWQDHTG-YPMLDQLKSA-N 382.248 4.621 10 1 GJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(c2)CCCN3C)N1 587768687 VRVOONBNDIPZFH-ODXCJYRJSA-N 389.312 4.594 10 1 GJCF CC(C)=CCc1c(O)c(O)cc2c(=O)c3c(O)c4c(cc3oc12)OC(C)(C)C=C4 13382721 PCBFLCFTJOTIAP-UHFFFAOYSA-N 394.423 4.756 10 1 GJCF biogenic,in-vitro O=C1c2ccccc2C(=O)c2c1ccc(C(=O)O)c2-c1cccc2ccccc12 87613090 OSHHLZIUPXYMSQ-UHFFFAOYSA-N 378.383 4.980 10 1 GJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cncc(Cl)c3[nH]1)[C@@H]1CC=C[C@@H]21 587271528 FAJFOZWTMQMCIT-QFSBIZTOSA-N 381.823 4.654 10 1 GJCF Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1N(C)C 587754812 LCSALCAZRPDBEW-CWTRNNRKSA-N 377.301 4.586 10 1 GJCF CCN(CCc1nc(-c2cc(C)n(-c3ccccc3F)c2C)cs1)C(C)=O 587922657 RWDVXFRXAMOMCO-UHFFFAOYSA-N 385.508 4.768 10 1 GJCF Cc1ccc2ccc([C@@H](Nc3ncccn3)c3ccc(F)cc3F)c(O)c2n1 1772631984 KQXNRGCOVOXOLW-IBGZPJMESA-N 378.382 4.519 10 1 GJCF O=c1oc2ccccc2cc1C1=NN(c2ccccc2)[C@@H](c2ccccc2O)C1 96932480 HLWGXJOKOAUGER-OAQYLSRUSA-N 382.419 4.854 10 1 GJCF COC(=O)c1cccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c12 587078210 KVAJFFPTGGBOBF-QUJCMNEKSA-N 379.847 4.829 10 1 GJCF CC(=O)O[C@@H]1C[C@H](C)c2c(cc(C(=O)O)c(O)c2O)[C@H]1[C@H](C)CCC=C(C)C 2356510277 SPQIFYGJYQZMOT-JGTCGTHISA-N 390.476 4.701 10 1 GJCF CC(=O)O[C@@H]1C[C@H](C)c2c(cc(C(=O)O)c(O)c2O)[C@@H]1[C@H](C)CCC=C(C)C 2356510278 SPQIFYGJYQZMOT-OBQMCUGOSA-N 390.476 4.701 10 1 GJCF CC1(C)Cc2c(cnn2-c2ccccc2)C(O)=C1N=NC(=O)c1ccccc1O 299812973 FXMVWZTXUFSOCC-UHFFFAOYSA-N 388.427 4.679 10 1 GJCF Oc1ccc(NC(=S)/N=N\c2c(O)[nH]c3ccc(Br)cc23)cc1 5593609 ACKCEYIVRXUHDK-VXPUYCOJSA-N 391.250 4.822 10 1 GJCF COc1ccc(-c2ccc(O)c([C@H]3c4ccc(F)cc4C[C@@H]4CCCN43)c2)cn1 963116458 XJHAOWJRPNCVIM-YADARESESA-N 390.458 4.712 10 1 GJCF COc1cc(OC)c2c(O)cccc2c1-c1ccc2c(c1O)[C@H](C)N[C@H](C)C2 2356708990 KQDGUTUGQTWZAI-OLZOCXBDSA-N 379.456 4.530 10 1 GJCF COc1cc(C/N=N/c2nc(-c3cccs3)c(NC(C)=O)s2)ccc1O 169688592 NRCZDFCHAZBHFD-DYTRJAOYSA-N 388.474 4.828 10 1 GJCF Cc1cc(-c2csc([C@H]3CN4CCC[C@@H]4CO3)n2)c(C)n1-c1ccccc1F 587922482 PEABHGFZCNGJBA-IIBYNOLFSA-N 397.519 4.892 10 1 GJCF O=[N+]([O-])c1ccc([C@H]2Nc3c(O)ccc(Br)c3[C@H]3C=CC[C@@H]32)cc1 4165732 CMUIDCHCXUFPLC-GDZNZVCISA-N 387.233 4.889 10 1 GJCF Oc1ccc([C@H]2CC(c3ccccc3O)=NN2C(=S)Nc2ccccc2)cc1 40380789 CGZGEJSUZRVTIR-HXUWFJFHSA-N 389.480 4.646 10 1 GJCF Cc1cc2[nH]c([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@@H]43)nc2c(C)n1 587276841 OABYROOWBLOPQE-AUSJPIAWSA-N 375.432 4.618 10 1 GJCF COc1cc(/C=C\c2nc3cc(Cl)cc(Br)c3[nH]2)cc(O)c1O 587784957 GGGUHMMFXHCWCW-IHWYPQMZSA-N 395.640 4.569 10 1 GJCF Cc1cc(C2=NN(C(=O)c3ccncc3)[C@H](c3ccccc3Cl)C2)ccc1O 34849777 YPZLOOKKEJBNRR-FQEVSTJZSA-N 391.858 4.741 10 1 GJCF Cc1cc(-c2csc([C@H](C)Cn3cncn3)n2)c(C)n1-c1ccccc1F 587921887 FDCCMWPJHSIHDD-CYBMUJFWSA-N 381.480 4.752 10 1 GJCF COc1cc(C)c(-c2c(O)cc(O)c3c2C[C@H](C)N(C)[C@@H]3C)c2cccc(O)c12 95486164 OXCYAWQTEUVBOF-UONOGXRCSA-N 393.483 4.878 10 1 GJCF biogenic,in-vitro Oc1ccc2oc(-c3ccccc3)nc2c1CN1CCC(N2CCCCC2)CC1 169349602 SJWRPQYEAMMPQG-UHFFFAOYSA-N 391.515 4.651 10 1 GJCF Cc1ccc(O[C@@H](CCN2CCc3cc(O)c(O)cc3C2)c2ccccc2)cc1 13530670 HKUBXLWNFDMFCX-VWLOTQADSA-N 389.495 4.975 10 1 GJCF CC(C)=CCc1c2c(c(O)c3c(=O)c4ccc(O)c(O)c4oc13)C(C)(C)[C@@H](C)O2 15256066 MPGIKBDCZHZTJM-LLVKDONJSA-N 396.439 4.630 10 1 GJCF biogenic Nc1ccc(N2CCN3C[C@H]2CC[C@H]3C(c2ccccc2)c2ccccc2)cc1 36177545 PTIQIHWOJDNCHH-RPBOFIJWSA-N 383.539 4.754 10 1 GJCF CCCCN1CCN(CCCCNc2c3ccccc3nc3ccccc23)CC1 45302961 RBUSCYMXVAZINX-UHFFFAOYSA-N 390.575 4.998 10 1 GJCF CN(C)CC(C)(C)CNCc1cc(-c2ccnc3cc(Cl)ccc23)ccc1O 45369307 JTNQJIFIHCUDCH-UHFFFAOYSA-N 397.950 4.938 10 1 GJCF CS(=O)(=O)Nc1ccc(C=C2c3ccccc3CCc3ccccc32)cc1 103264143 AZIDXGQGLZQBNU-UHFFFAOYSA-N 375.493 4.746 10 1 GJCF COc1cccc2c(-c3c(O)cc(O)c4c3C[C@H](C)N[C@H]4C)c(C)cc(O)c12 2356708854 FOCDXOFHJIRQRW-STQMWFEESA-N 379.456 4.536 10 1 GJCF O=C(N[C@H](c1ccco1)c1cc(Cl)c2cccnc2c1O)c1ccsc1 169341723 CZHKCJHRLUWKGT-INIZCTEOSA-N 384.844 4.768 10 1 GJCF O=C1Nc2ccccc2/C1=C1\C(=O)N(CCCc2ccccc2)c2ccccc21 45385631 XOOORTLOUPNRTM-GHVJWSGMSA-N 380.447 4.529 10 1 GJCF Oc1cc(F)cc(Br)c1[C@H]1c2ccc(F)cc2C[C@H]2CCCN21 963106820 NXVAZMIGKAOYMT-FZKQIMNGSA-N 380.232 4.543 10 1 GJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(O)ccc(Cl)c2F)N1 587718559 NJNPDCXUKIHERJ-HYORBCNSSA-N 388.639 4.710 10 1 GJCF C[C@H]1Cc2cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)ccc2N1C 587760833 LZQYAPOLJURFEV-JGRMJRGVSA-N 389.312 4.593 10 1 GJCF CC(C)C[C@]1(CCO)C[C@H](CN=[N+]=[N-])ON1Cc1ccc(C(F)(F)F)cc1 49018562 UVIINUXOGNVDJV-IAGOWNOFSA-N 386.418 4.689 10 1 GJCF COc1cc(N[C@@H](C)CCN)c2ncccc2c1/N=N/c1ccc(C(=O)O)cc1 169322716 GZNJIVQRHWPBLM-UYKKPGFNSA-N 393.447 4.506 10 1 GJCF Cc1cc2c(c(O)c1Br)C(=O)C(=O)C[C@]1(C)CC[C@H](C(C)C)[C@@H]21 2356418772 VXWUTGGQGOJSKP-KOXAJKMWSA-N 379.294 4.775 10 1 GJCF COc1cc(/C=C\c2nc3cccc(OCc4ccccc4)c3[nH]2)cc(O)c1O 587786328 SMOFHNWWCNSNJS-KHPPLWFESA-N 388.423 4.732 10 1 GJCF O=C(NCc1ccc(N2[C@H]3CCC[C@@H]2CC3)c(F)c1)Nc1cccc2[nH]ncc12 14973548 ZDSNVUVKDYMAEI-IYBDPMFKSA-N 393.466 4.545 10 1 GJCF CCN(C)c1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587743872 YJYAMMNULCYBQA-BLVKFPJESA-N 377.301 4.668 10 1 GJCF CCCCCC(=O)NC(NC(=O)CCCCC)c1ccc(N(CC)CC)cc1 95579703 GXPFAGIMBDKZKN-UHFFFAOYSA-N 389.584 4.924 10 1 GJCF Cc1cc(CNC2CCN(Cc3ccccc3)CC2)c(C)n1-c1ccc(F)cc1 95615485 OBFANJWJASKEMA-UHFFFAOYSA-N 391.534 4.987 10 1 GJCF O=C1c2ccccc2C(=O)c2c1ccc1[nH]c(-c3ccc(OC4CCC4)cc3)nc21 587950400 ARPDCNUCDVAVPQ-UHFFFAOYSA-N 394.430 4.937 10 1 GJCF Cc1ccc2nc3ccccc3c(Nc3ccc(NS(C)(=O)=O)cc3)c2c1 5138900 UKZQKUFRZJVOOU-UHFFFAOYSA-N 377.469 4.812 10 1 GJCF CN(C)c1ccc(-c2nc3ccc([125I])cc3s2)cc1 102026706 FGQRNGPGBIJMET-RFLHHMENSA-N 378.255 4.634 10 1 GJCF CCOC(=O)[C@]1(C)C(/N=N\c2cccc(Cl)c2)=C(O)C(=O)N1c1ccccc1 102658033 OMKNGPROZOYFFI-LPNGOHTBSA-N 399.834 4.562 10 1 GJCF Cc1c(C)c(O)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1O 587823561 UYMGRPGTTXPTRW-CQLKUDPESA-N 394.284 4.548 10 1 GJCF Cc1ccc(O)c([C@@H]2c3ccc4c(c3CCN2C(=O)OC(C)(C)C)NCCC4)c1 961779710 UZWMSCAIBKUJTP-QFIPXVFZSA-N 394.515 4.941 10 1 GJCF Cc1[nH]n(-c2ccccc2)c(=O)c1N=Nc1ccccc1C(=O)N1CCCCC1 299849296 FVZHAOREOATFPN-UHFFFAOYSA-N 389.459 4.516 10 1 GJCF Cc1cc(C)c(O)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587822589 POWOFAUZZHZMHW-CWTRNNRKSA-N 378.285 4.708 10 1 GJCF CCC(CC)CN1C(=O)S/C(=C\c2cc(C(F)(F)F)cc(O)c2O)C1=O 84671605 VQCYRTCGSSPVNM-MLPAPPSSSA-N 389.395 4.589 10 1 GJCF CCCN(CCNC(=O)/N=N/c1ccc(F)c(F)c1)C1Cc2ccccc2C1 473110523 WOOHCDFWINCKHH-OCEACIFDSA-N 386.446 4.638 10 1 GJCF COc1cc(C)c(O)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587811403 ZXYSACRAXYKTRL-MGNBDDOMSA-N 394.284 4.543 10 1 GJCF CC[C@@]1(c2ccc(C)cc2O)N[C@H](C)Cc2ccc(F)c(Br)c21 587822400 NUSAAMVNGXGUIS-BLVKFPJESA-N 378.285 4.790 10 1 GJCF N=C(N)c1ccc(N/N=N/c2ccc(-c3cc4cc(C(=N)N)ccc4o3)cc2)cc1 5842486 DDTJTOJPCGMKBA-UHFFFAOYSA-N 397.442 4.779 10 1 GJCF COc1cccc(CNCCCNc2ccnc3cc(CC(C)C)ccc23)c1O 72122811 IAOOIGVVKAMTFN-UHFFFAOYSA-N 393.531 4.739 10 1 GJCF C[C@]1(c2ccc(N3CCCNCC3)cc2)NCCc2cc(-c3ccccc3)ccc21 962667640 PGYLCGKOYKTQGF-HHHXNRCGSA-N 397.566 4.563 10 1 GJCF CN(C)c1ccc([C@]2(C(F)(F)F)c3ccc(F)cc3C[C@H]3CCCN32)cc1 963091676 JKZJLFGZTNBQOL-UYAOXDASSA-N 378.413 4.718 10 1 GJCF COC(=O)c1cc2c(c(O)c1O)O[C@]1(C2)[C@H](C)CC[C@@H]2C(C)(C)CCC[C@]21C 2356533720 QOJXSCYJHFCUEV-RHXVWMBRSA-N 388.504 4.821 10 1 GJCF Nc1ccc(Oc2ccc(NC(=O)C[C@@H](CC(=O)O)c3ccccc3)cc2)cc1 217071429 MOYABJRZRGJNSQ-KRWDZBQOSA-N 390.439 4.648 10 1 GJCF CC1=C/C(=C2\C(=O)N(c3ccc(Cl)cc3)N=C2C)N(c2ccc(Cl)cc2)N1 100491226 NYZCLECQTPLSFT-VHEBQXMUSA-N 399.281 4.899 10 3 GJCF CCn1c(SCC(=O)/N=N\c2c(O)[nH]c3ccccc23)nc2ccccc21 102290969 AFUXHFILVWPRCB-FCQUAONHSA-N 379.445 4.646 10 1 GJCF COc1ccc(-n2c(C)cc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c2C)cc1 587391758 YKVOYPCYLMRIHW-QFIPXVFZSA-N 376.456 4.700 10 1 GJCF CCN(C)c1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587743873 YJYAMMNULCYBQA-BUXKBTBVSA-N 377.301 4.668 10 1 GJCF CN1CCN(CCCCCCNc2c3ccccc3nc3ccccc23)CC1 45227667 JNXFFNPJBWHKDI-UHFFFAOYSA-N 376.548 4.608 10 1 GJCF O=C1C(=Cc2ccc3ccccc3n2)C(=O)N(c2ccccc2)N1c1ccccc1 2356303528 XMZGWMBTUVNSRT-UHFFFAOYSA-N 391.430 4.613 10 1 GJCF COc1ccc2nc(N[C@@H](c3ccccc3O)P(=O)(OC)OC)sc2c1 207106378 YTVYDLSREMCQOB-MRXNPFEDSA-N 394.389 4.607 10 1 GJCF CC(C)=CCc1c(O)c(O)cc2c(=O)c3c4c(c(O)cc3oc12)C(C)(C)[C@@H](C)O4 299826734 DXLLCIZIWGLPGA-LLVKDONJSA-N 396.439 4.630 10 1 GJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(F)c(F)cc3[nH]1)[C@@H]1CC=C[C@H]21 587276860 OGCAADUJMCYIHT-CRTZDJKQSA-N 382.370 4.884 10 1 GJCF Cc1cc(Cl)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1O 587695447 JWLQPTHYKVGGTN-JDNHERCYSA-N 384.676 4.879 10 1 GJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCCC3)cc2)N1 587765598 KLQDKZKRJRDBSZ-XCLFUZPHSA-N 389.312 4.812 10 1 GJCF CC[C@@]1(c2ccc(C)cc2O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587822337 NBZQPAVQOKMEFJ-BUXKBTBVSA-N 378.285 4.790 10 1 GJCF COc1cccc([C@@H](C)Cc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c1 587930445 IGKPNPDWBSCOAS-AWEZNQCLSA-N 396.446 4.693 10 1 GJCF NC(=S)Nc1cccc(OCCCCCOc2ccc(N3CCCC3)cc2)c1 40835071 CBWCZLNARKVNJX-UHFFFAOYSA-N 399.560 4.570 10 1 GJCF COc1ccc(/C=C2\C(=O)N(c3cccc([N+](=O)[O-])c3)N=C2C)c2ccccc12 95555927 XEIIJLVXHFCRIC-NDENLUEZSA-N 387.395 4.563 10 1 GJCF CCN(C)c1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587743874 YJYAMMNULCYBQA-CWTRNNRKSA-N 377.301 4.668 10 1 GJCF Oc1cc2c(cc1O)[C@@H](Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NCC2 11422320 OXDZNWCUNBBTAP-CQSZACIVSA-N 391.311 4.565 10 1 GJCF Nc1ccc(Oc2ccc3nc(C[C@@H](N)c4ccccc4Cl)[nH]c3c2)cc1 587057645 QHBPHYVGTOVNCV-GOSISDBHSA-N 378.863 4.833 10 1 GJCF Cc1cc(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc(C)c1O 98208474 UPZISPNEBVCTRN-QURGRASLSA-N 382.445 4.620 10 1 GJCF in-vitro CC(C)=CCc1c(O)c(CC=C(C)C)c2oc3cc(O)c(O)cc3c(=O)c2c1O 14727624 WOYJYLIGVMHOMK-UHFFFAOYSA-N 396.439 4.786 10 1 GJCF biogenic CC1(C)O[C@@H]2c3ccccc3C(=O)C(=O)[C@H]2[C@H]1Nc1ccc(Cl)c(Cl)c1 253678823 QVEMLFNIOZASOI-ATZDWAIDSA-N 390.266 4.706 10 1 GJCF COc1cccc(C2=N[C@H](c3ccccc3OC)N[C@H](c3ccccc3O)C2)c1 53363354 WZSLVMPTHWXTHR-URXFXBBRSA-N 388.467 4.632 10 1 GJCF O=C1c2ccsc2C(=O)c2c1ccc(Cc1ccc(C(F)(F)F)cc1)c2O 299833935 PGLLYFFZURAYIT-UHFFFAOYSA-N 388.366 4.839 10 1 GJCF O=C(Oc1ccc2ccccc2c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](C(=O)O)N2 4818933 ANBUMOGSYDQGMP-NNMXDRDESA-N 385.419 4.597 10 1 GJCF C[C@H](Oc1ccccc1)C(=O)N=Nc1c(O)[nH]c2ccc(Br)cc12 253981553 DJUPBMMFTVNSHA-JTQLQIEISA-N 388.221 4.714 10 1 GJCF COC(=O)c1cc(C[C@H]2C(C)=CC[C@H]3C(C)(C)CCC[C@@]32C)c(O)c(O)c1O 144077516 SZRAUMXGPDDLLB-HKARXFIJSA-N 388.504 4.931 10 1 GJCF O=C(c1ccccc1NCc1ccc2ncccc2c1)c1n[nH]c2ccccc12 40894403 HBSXWFBLJONDCO-UHFFFAOYSA-N 378.435 4.954 10 1 GJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCCC3)cc2)N1 587766593 OCLKOFAUJNHAQP-XCLFUZPHSA-N 389.312 4.812 10 1 GJCF CCOC(=O)[C@H]1C[C@@H]2COc3ccc(/N=N/c4ccccc4)cc3[C@@H]2N1CC 84652817 QWJJIBQBWBMPAX-UMCBVKHQSA-N 379.460 4.809 10 1 GJCF COc1ccc(C2=NC(=O)/C(=C/c3ccc(OC)c4ccccc34)S2)cc1 84758129 KPGMLWIIJNGLCD-MOSHPQCFSA-N 375.449 4.918 10 1 GJCF Cc1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc2n1C 587575682 GIAJCOWFXLAZIS-QPPBQGQZSA-N 385.419 4.895 10 1 GJCF CC1=NN(c2ccccc2)C(=O)/C1=C(/c1ccc(Cl)cc1)N1CCSCC1 101833791 XWHHZLBJJBZBRM-VXPUYCOJSA-N 397.931 4.523 10 1 GJCF CC(=O)N[C@H](C)CCc1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1 149971318 IKOHQCQVJBTZRT-GOSISDBHSA-N 392.543 4.536 10 1 GJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Cl)cnc3[nH]1)[C@H]1CC=C[C@H]21 587272189 PFFQWNNIFCZLHH-DCGLDWPTSA-N 381.823 4.654 10 1 GJCF Cc1cc(-c2csc([C@@H]3CN4CCC[C@@H]4CO3)n2)c(C)n1-c1ccccc1F 587922481 PEABHGFZCNGJBA-IERDGZPVSA-N 397.519 4.892 10 1 GJCF Cc1ccc(-n2c(C)cc([C@H]3NC[C@@H]4CC(=O)N(C)c5cccc3c54)c2C)cc1C 963036280 XBXILGGTZPWTSU-SIBVEZHUSA-N 399.538 4.854 10 1 GJCF O=C(Oc1ccc2ccccc2c1)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](C(=O)O)N2 169305243 ANBUMOGSYDQGMP-IPJJNNNSSA-N 385.419 4.597 10 1 GJCF CC=CC[C@H](C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)cccc1C3=O 2356341784 WSZBMBZQSIQDJS-LBPRGKRZSA-N 388.419 4.652 10 1 GJCF COc1ccc(N2CC[C@@]3(C2)c2ccsc2CCN3Cc2ccco2)cc1 962709057 QWIWJVIEYRDXOJ-JOCHJYFZSA-N 380.513 4.514 10 1 GJCF Cc1ccc([C@H](c2cc(Br)ccc2O)N2CCSCC2)cc1 61925481 YAOHPDZANPNGST-GOSISDBHSA-N 378.335 4.601 10 3 GJCF CN(C)c1ccc(/C=C/C=C2\C(=O)N(Cc3ccc(N)cc3)c3ccccc32)cc1 474609510 QNPMNMWLGKGLEL-KXRKQJTLSA-N 395.506 4.978 10 1 GJCF CCOc1ccc(N2CC[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C2)cc1 587512383 CXWIAHHOMITBRE-XMMPIXPASA-N 377.484 4.578 10 1 GJCF COc1ccc2nc3ccc(COC(=O)c4ccc(Cl)cc4)cc3c(N)c2c1 58548211 IDKZYMSPSXLYRW-UHFFFAOYSA-N 392.842 4.989 10 1 GJCF COc1ccc([C@@H](Nc2cccc(C)n2)c2ccc3cccnc3c2O)cc1O 199308465 GBVYRUWUOYSPSL-OAQYLSRUSA-N 387.439 4.560 10 1 GJCF COc1cc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@H]43)[nH]c2cc1C 587277485 WWWGJZPXVSFYSK-PDSXEYIOSA-N 390.443 4.923 10 1 GJCF Nc1ccc(Oc2ccc3nc(-c4ccc5c(c4)NC(=O)CS5)[nH]c3c2)cc1 587043211 IPNZNAODDLOBET-UHFFFAOYSA-N 388.452 4.649 10 1 GJCF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(-n3c(C)cc(C=O)c3C)c1)O2 587391302 UHBHPZXVDIQPDE-XMMPIXPASA-N 388.467 4.678 10 1 GJCF CCN1CCc2cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc21 587767998 SLXIDNCAPZEHIY-FKIZINRSSA-N 389.312 4.594 10 1 GJCF COc1ccc(OC)c(-c2ccc(O)c(CNCCc3ccccc3F)c2)c1 45323920 MJUCLLACJIZROU-UHFFFAOYSA-N 381.447 4.548 10 1 GJCF CC[C@@]1(c2ccc(N(C)C)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587753173 GMFOLAMPARXKEQ-RBZFPXEDSA-N 391.328 4.842 10 1 GJCF CC1(C)Cc2c(cnn2-c2ccccc2)C(O)=C1/N=N\C(=O)c1ccccc1N 17859960 KETANZWADUJHLC-QPLCGJKRSA-N 387.443 4.556 10 1 GJCF Oc1ccccc1C1=NN[C@@H](c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C1 73240255 VEKIRIFJJMAJNK-JOCHJYFZSA-N 398.441 4.823 10 1 GJCF COc1cc(C)c(O)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587809212 RUUXZAQJLRCGHY-MLCYQJTMSA-N 394.284 4.543 10 1 GJCF CCn1c(SCC(=O)N=Nc2c(O)[nH]c3ccccc23)nc2ccccc21 299812498 AFUXHFILVWPRCB-UHFFFAOYSA-N 379.445 4.646 10 1 GJCF COc1cccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@@H]43)[nH]c12 587276635 NIRNLOGKENGXOT-CKFHNAJUSA-N 376.416 4.615 10 1 GJCF COc1ccc([C@H]2Sc3ccccc3-n3c(CN4CCOCC4)ccc32)cc1 13651951 ITLDTMVIVXQASZ-HSZRJFAPSA-N 392.524 4.513 10 1 GJCF CC[C@]1(c2ccc(F)cc2O)N[C@H](C)Cc2cc(Br)c(F)cc21 587728891 UEXPTORSTNCIJS-MLCYQJTMSA-N 382.248 4.621 10 1 GJCF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc(OC(C)C)cc3C)C2)cc1 1772641319 QIWYIZVRKXNTEX-MBSDFSHPSA-N 396.531 4.637 10 1 GJCF CC(C)=CCc1c2c(c3oc4c(O)c(O)ccc4c(=O)c3c1O)C(C)(C)[C@@H](C)O2 15217409 PHPWEGWMDCOEKL-LLVKDONJSA-N 396.439 4.630 10 1 GJCF biogenic COc1cc2nc3c(cc2c(CN2CCCC2)c1O)CSc1ccc(F)cc1-3 43078613 SWFCHYAKDPNNNU-UHFFFAOYSA-N 396.487 4.957 10 1 GJCF CCc1c(-c2cc(O)c(O)cc2O)nc2cccc3c2c1-c1ccccc1C3=O 587207652 UQMNNTHNDRRCDT-UHFFFAOYSA-N 383.403 4.792 10 1 GJCF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(OC(F)(F)F)cc2O)N1 962951412 SWYAOONZPYHZDP-VOJFVSQTSA-N 376.378 4.786 10 1 GJCF CCCOC(=O)[C@H]1C[C@@H]2COc3ccc(/N=N/c4ccccc4)cc3[C@@H]2N1C 84652816 HZCKRYFGJYNYBV-UMCBVKHQSA-N 379.460 4.809 10 1 GJCF COc1cc(/C=C\c2nc3ccc(SC(F)(F)F)cc3[nH]2)cc(O)c1O 587785995 QVUFIDAUDZLZTJ-DJWKRKHSSA-N 382.363 4.765 10 1 GJCF COC(=O)c1cc(C[C@@]2(C)[C@@H]3CCC=C(C)[C@]3(C)CC[C@H]2C)c(O)c(O)c1O 2356380266 YGSUREOWDQUWGU-DTKQMDLBSA-N 388.504 4.931 10 1 GJCF C[C@H](c1ccc(N(C)C)cc1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587195996 OIXXMQAWGVKOKC-CQSZACIVSA-N 395.462 4.556 10 1 GJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N(C)C)cc2Cl)N1 587695408 NLCLWYJDADLVQA-MLCYQJTMSA-N 397.719 4.931 10 1 GJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)cc(F)c2O)N1 587720603 NPOTWQKKEKULBZ-MLXNANBUSA-N 388.639 4.710 10 1 GJCF O=C(NCc1ccc(N2CCCCCC2)cc1Cl)Nc1cccc2[nH]ncc12 14973505 FLNHGCZGIIRXLR-UHFFFAOYSA-N 397.910 4.918 10 1 GJCF Cc1ccccc1NC(=S)N1N=C(c2ccc(O)cc2)C[C@@H]1c1ccco1 45373077 UZDUHLXBAKDCFL-LJQANCHMSA-N 377.469 4.842 10 1 GJCF C[C@@H](Oc1ccccc1)C(=O)/N=N\c1c(O)[nH]c2ccc(Br)cc12 96901633 DJUPBMMFTVNSHA-ANVJASRSSA-N 388.221 4.714 10 1 GJCF Cc1c(C)c(O)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1O 587824030 YFJXFVWJGHDCDN-CQLKUDPESA-N 394.284 4.548 10 1 GJCF COc1ccc(OC)c(-c2ccc(O)c(CNC[C@@H]3C[C@@H]4C=C[C@@H]3C43CC3)c2)c1 101912847 KLJGVWUTMKTLBU-JLMWRMLUSA-N 391.511 4.768 10 1 GJCF COc1ccc([C@@H]2CN(c3c(C)c(C)c4c(c3C)CC(C)(C)O4)CCN2C)cc1 114329282 RDDISMSLWDCRHM-QFIPXVFZSA-N 394.559 4.827 10 1 GJCF COc1ccc2c(c1)[C@H](c1cc3c4c(c1)CCCN4CCC3)N(C(C)C)CC2 962087065 DZPMMYQTWAZWDL-VWLOTQADSA-N 376.544 4.750 10 1 GJCF CC[C@@]1(c2cccc(Cl)c2O)c2cc(OC)c(OC)cc2C[C@@H](C)N1C 962627007 KHUJCFPYFPTFTH-LRTDBIEQSA-N 375.896 4.593 10 1 GJCF Cc1ccc(-c2cc(CN3CCN(C)CC3)c(C)n2-c2ccc(F)cc2)cc1 36471943 VXRCHIBVBRJPHN-UHFFFAOYSA-N 377.507 4.648 10 1 GJCF O=C1c2ccccc2C(=O)c2c1ccc1nc(/C=C/c3ccc(F)cc3F)[nH]c21 587150802 PBJXPNNCNZGUGZ-UXBLZVDNSA-N 386.357 4.787 10 1 GJCF COc1ccc2c(c1OC)[C@@H](c1ccc(N3CCCCC3)cc1)N(C)[C@@H](C)C2 962628092 OFSYQCOUECYYAL-GAJHUEQPSA-N 380.532 4.660 10 1 GJCF O=C(CCc1ccc(NC(=O)C2CCCCC2)cc1)CCc1ccc(O)c(O)c1 1772617167 YKTFAAPXNXIAMT-UHFFFAOYSA-N 395.499 4.751 10 1 GJCF NCC(CN)CCCc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 26751631 URGXHWNBJBVBEO-UHFFFAOYSA-N 384.527 4.988 10 1 GJCF c1cncc(CN2CCN(c3ccc(-c4nc5ccccc5s4)cc3)CC2)c1 95588167 DYVCTIXHVVAAMZ-UHFFFAOYSA-N 386.524 4.681 10 1 GJCF CC1(C)Cc2c(cnn2-c2ccccc2)C(O)=C1/N=N/C(=O)c1ccccc1O 101741509 FXMVWZTXUFSOCC-OCOZRVBESA-N 388.427 4.679 10 1 GJCF CC(=CC=C[C@@H](C)CCC=C(C)[C@H]1OC(=O)C(=O)C1=O)CCCc1ccoc1 2356613528 OTLUUQOHVRZSKD-OPAMFIHVSA-N 384.472 4.531 10 1 GJCF CCOC(=O)[C@]1(C)C(N=Nc2ccc(Cl)cc2)=C(O)C(=O)N1c1ccccc1 253982868 JAYBTYFNAXCBKH-FQEVSTJZSA-N 399.834 4.562 10 1 GJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(O)ccc(Cl)c2F)N1 587718563 NJNPDCXUKIHERJ-VGDKGRGNSA-N 388.639 4.710 10 1 GJCF COc1ccc(/C=C2\SC(c3ccc(C(=O)c4ccccc4)cc3)=NC2=O)cc1 84651922 AQSNJWYJDKXLHH-QNGOZBTKSA-N 399.471 4.987 10 1 GJCF Nc1ccc(Oc2ccc3nc(C[C@H]4OCCc5ccsc54)[nH]c3c2)cc1 587035854 UUXJAXCHAGCXTG-LJQANCHMSA-N 377.469 4.855 10 1 GJCF COc1ccc(OC)c(-c2ccc(O)c(CNC[C@H](C)c3ccccc3)c2)c1 45193092 QMBJHQJVQBDQDL-KRWDZBQOSA-N 377.484 4.970 10 1 GJCF CC(=O)N1c2ccccc2N=C2CCCC(O)=C2[C@@H]1c1ccc(N(C)C)cc1 104004707 KBJXGLYTVVBYRX-QHCPKHFHSA-N 375.472 4.929 10 1 GJCF CC1(C)COC(c2cccc(-n3c(CCC(=O)O)ccc3-c3cccs3)c2)=N1 587934559 HZUQGCPFIXBYMX-UHFFFAOYSA-N 394.496 4.778 10 1 GJCF Nc1cc(CO)cc(Nc2c3ccccc3nc3c(Br)cccc23)c1 27524473 MILWVBSMDSZYFL-UHFFFAOYSA-N 394.272 4.969 10 1 GJCF O=C(Oc1ccc2ccccc2c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](C(=O)O)N2 88771455 ANBUMOGSYDQGMP-JQVVWYNYSA-N 385.419 4.597 10 1 GJCF CCOC(=O)[C@]1(C)C(/N=N\c2ccccc2Cl)=C(O)C(=O)N1c1ccccc1 102742933 HNKMMWNZUCJYTD-LPNGOHTBSA-N 399.834 4.562 10 1 GJCF COc1cc2c3c(c1)O[C@]1(c4ccccc4CSc4ccccc41)[C@@H](C2)C3=O 587453330 QGQNRAIYPUOYKK-CYFREDJKSA-N 386.472 4.992 10 1 GJCF O=C1C[C@@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@@H](c2ccc(O)cc2)C1 45260177 OCHOMQQWDNRBLY-XZOQPEGZSA-N 396.442 4.688 10 1 GJCF Nc1ccc(Oc2ccc3[nH]c(C(=O)Nc4ccccc4Cl)nc3c2)cc1 587060504 OMYDYGMBILQSSZ-UHFFFAOYSA-N 378.819 4.843 10 1 GJCF COC(=O)c1cc(C[C@@H]2C(C)=CC[C@@H]3C(C)(C)CCC[C@]23C)c(O)c(O)c1O 13431225 SZRAUMXGPDDLLB-SEPYTNNBSA-N 388.504 4.931 10 1 GJCF biogenic O=[N+]([O-])c1ccc([C@H]2Nc3c(O)ccc(Br)c3[C@@H]3C=CC[C@H]23)cc1 1158438 CMUIDCHCXUFPLC-IIYDPXPESA-N 387.233 4.889 10 1 GJCF Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(N)cc3)ccc2n1 13835523 PFIFPQFMXOXEOF-UHFFFAOYSA-N 398.466 4.539 10 1 GJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCCC3)cc2)N1 587765596 KLQDKZKRJRDBSZ-RBZFPXEDSA-N 389.312 4.812 10 1 GJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccnc(Cl)c3[nH]1)[C@@H]1CC=C[C@H]21 587273042 ZAZAJSPGOAXZOZ-OZVIIMIRSA-N 381.823 4.654 10 1 GJCF CC(=O)c1cccc(-n2c(C)cc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c2C)c1 587391716 XLZOMLRKABGNHX-QHCPKHFHSA-N 388.467 4.894 10 1 GJCF Brc1ccc(OCCCn2c3c(c4ccccc42)CCNC3)cc1 1857533689 FPTIPRDSGREBQB-UHFFFAOYSA-N 385.305 4.519 10 1 GJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCCC3)cc2)N1 587766592 OCLKOFAUJNHAQP-RNODOKPDSA-N 389.312 4.812 10 1 GJCF CCCc1c(O)ccc2c1O[C@@H](c1ccc(O)c(CN3CCCCC3)c1)CC2=O 587477325 XNUOWXCCARJPDF-HSZRJFAPSA-N 395.499 4.743 10 1 GJCF Cc1cc2c(cc1C)-c1oc(CNCc3ccc(F)cc3)c(C)c1C(=O)C2=O 1857748503 QAHODNIXRAAGKT-UHFFFAOYSA-N 377.415 4.680 10 1 GJCF CCN(CC)c1ccc(/N=N/c2c(-c3ccc(OC)c(OC)c3)[nH][nH]c2=O)cc1 169723246 VPRSIFISUJEATK-ZNTNEXAZSA-N 395.463 4.649 10 1 GJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Cl)ccc2O)N1 587703612 RDQZROHCYHIYMN-VVVCHXIZSA-N 384.676 4.745 10 1 GJCF CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc(F)ccc23)cc1 5138678 UPVNFQXGEPTBQW-UHFFFAOYSA-N 381.432 4.642 10 1 GJCF COc1ccc(-c2cn(-c3ccccc3)c3c2C(=O)c2ccccc2C3=O)cc1 1857747014 WPIOWZPIVLXOEK-UHFFFAOYSA-N 379.415 4.928 10 1 GJCF Cc1cc(C)c(O)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587822587 POWOFAUZZHZMHW-BLVKFPJESA-N 378.285 4.708 10 1 GJCF O=c1cc(-c2ccccc2)oc2cc(OCc3ccc(F)cc3)c(O)c(O)c12 169351466 GIEHRRNREQYIIA-UHFFFAOYSA-N 378.355 4.589 10 1 GJCF COc1ccccc1-n1c(C)cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1C 587390316 POYBNMLFUGHVAA-JOCHJYFZSA-N 376.456 4.700 10 1 GJCF CC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1cc(Cl)ccc1O 95560856 FPXRZKOMSSOAJL-INIZCTEOSA-N 393.668 4.506 10 1 GJCF CC1(C)O[C@@H]2c3ccccc3C(=O)C(=O)[C@H]2[C@@H]1Nc1ccc(Cl)c(Cl)c1 169310123 QVEMLFNIOZASOI-LZQZEXGQSA-N 390.266 4.706 10 1 GJCF CN(C)c1ccc(N=Nc2ccc(-c3nc4cc(C(=N)N)ccc4[nH]3)cc2)cc1 587195761 MEFQNYDZFKSFMG-UHFFFAOYSA-N 383.459 4.995 10 1 GJCF CC(C)=CCc1cc2c(=O)c3c(O)c4c(cc3oc2c(O)c1O)O[C@H](C)C4(C)C 15256078 IBAHQFUORXONGI-LLVKDONJSA-N 396.439 4.630 10 3 GJCF biogenic Cc1cc(O)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl 587694238 PRGLIYDSXNUNOS-VVVCHXIZSA-N 384.676 4.879 10 1 GJCF C[C@H](Oc1ccccc1)C(=O)/N=N\c1c(O)[nH]c2ccc(Br)cc12 96901631 DJUPBMMFTVNSHA-MYOPITJTSA-N 388.221 4.714 10 1 GJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(F)c(F)cc3[nH]1)[C@H]1CC=C[C@@H]21 587276861 OGCAADUJMCYIHT-UFYHVXEKSA-N 382.370 4.884 10 1 GJCF Nc1nn(-c2nc3ccc(Cl)cc3s2)c(N)c1/N=N/c1ccc(F)cc1 98082206 LPKVJKVMARKHCQ-GHVJWSGMSA-N 387.831 4.854 10 1 GJCF CC[C@]1(c2cc(F)ccc2O)N[C@H](C)Cc2ccc(F)c(Br)c21 587728016 CNKKASHNWQDHTG-MLCYQJTMSA-N 382.248 4.621 10 1 GJCF CC[C@]1(c2cc(C)ccc2O)N[C@H](C)Cc2cc(Br)c(F)cc21 587819925 CEBNSAFDKRGBCA-BLVKFPJESA-N 378.285 4.790 10 1 GJCF O=C1C(=Cc2ccco2)C(=O)N(c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 653768351 IGCLNRBZTKYYAT-UHFFFAOYSA-N 399.233 4.965 10 1 GJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(F)cc(F)c3[nH]1)[C@@H]1CC=C[C@H]21 587277210 QSASEHJYANCLNA-JCGVRSQUSA-N 382.370 4.884 10 1 GJCF CC(C)=CCc1cc(O)c(O)c2oc3cc4c(c(O)c3c(=O)c12)C(C)(C)[C@H](C)O4 2356692414 VODXTKBNNLRCHN-NSHDSACASA-N 396.439 4.630 10 1 GJCF CC[C@]1(c2cc(F)ccc2O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587732501 NMIURRRPTABADJ-YPMLDQLKSA-N 382.248 4.621 10 1 GJCF Cc1ccc([C@H]2N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)n1-c1ccccc1 962773817 XZVXBNJMYBMCRN-QUCCMNQESA-N 384.401 4.521 10 1 GJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(O)cccc2Cl)N1 587694175 OPLXORZNFMZASA-XLFHBGCDSA-N 384.676 4.745 10 1 GJCF O=C1c2ccccc2C(=O)c2c1ccc1nc([C@H]3C[C@H]3c3cccc(F)c3)[nH]c21 587162717 YNMVESBMGQTTIH-ROUUACIJSA-N 382.394 4.749 10 1 GJCF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1c(C)n(CC(=O)OC)c2ccccc12 963229632 OMADRZDBXPUIQA-GKVSMKOHSA-N 390.527 4.869 10 1 GJCF CCCc1cc2c(C)cc3c(c2oc1=O)C(=O)c1c(OC(C)C)cccc1C3=O 473085524 XIGDUMSWFFFCFI-UHFFFAOYSA-N 390.435 4.617 10 1 GJCF O=C(O)c1ccc(N[C@H](c2ccc(F)cc2)c2ccc3cccnc3c2O)cc1 653798409 NTZWCBKEWMKKBJ-HXUWFJFHSA-N 388.398 4.979 10 1 GJCF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1c(C)n(CC(=O)OC)c2ccccc12 963229630 OMADRZDBXPUIQA-CRICUBBOSA-N 390.527 4.869 10 1 GJCF NC1=C2CCN(c3cccc(Cl)c3)[C]2Nc2ccc(Br)cc21 2356817587 HUFJXAGKHDWKCL-UHFFFAOYSA-N 375.677 4.598 10 1 GJCF O=C1NC(=S)S/C1=C\c1cc2ccccc2cc1OCc1ccccc1 36184600 OFBLVZYXIJAZSY-UNOMPAQXSA-N 377.490 4.908 10 1 GJCF COc1cc2c(cc1OC)[C@](c1ccccc1)(c1ccccc1O)N(C)[C@H](C)C2 962626883 NONUTMRLXDITFC-NSYGIPOTSA-N 389.495 4.578 10 1 GJCF O=C1c2ccccc2C(=O)c2c1ccc1nc([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c21 586892648 VKXGRASLDXLLJW-ARACPRRUSA-N 382.463 4.806 10 1 GJCF Brc1ccccc1OCCCn1c2c(c3ccccc31)CCNC2 1857600421 RGCYGWVAUPNNIK-UHFFFAOYSA-N 385.305 4.519 10 1 GJCF Oc1ccc(CN(Cc2ccc(O)c(O)c2)c2ccc3ccccc3c2)cc1O 64504187 DSKAWOIEDKIVGD-UHFFFAOYSA-N 387.435 4.869 10 1 GJCF O=C1c2ccccc2C(=O)c2c1ccc1nc(/C=C\c3ccc(F)cc3F)[nH]c21 587150789 PBJXPNNCNZGUGZ-POHAHGRESA-N 386.357 4.787 10 1 GJCF COc1cc(C=Cc2cccc(O)c2O)c(Cc2ccc(O)cc2)c(OC)c1 2356624877 RMPNHXXUANYNJL-UHFFFAOYSA-N 378.424 4.582 10 1 GJCF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(-c3cccc([N+](=O)[O-])c3)c1C)O2 587389619 LXPAKUMHRXUFRV-OAQYLSRUSA-N 391.427 4.599 10 1 GJCF CC(C)=CCc1c(O)c(O)cc2c(=O)c3c(O)c4c(cc3oc12)O[C@H](C)C4(C)C 13412045 ZYJVDWWKUSJAQY-LLVKDONJSA-N 396.439 4.630 10 1 GJCF biogenic,in-vivo COc1ccc(-n2c(C)cc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2C)cc1 587431394 OJAVBBKXQGYXBB-YKSBVNFPSA-N 389.451 4.600 10 1 GJCF CS(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)n2-c2ccc(F)cc2)cc1 29389360 IVKBVCOEPQLLGY-UHFFFAOYSA-N 383.366 4.706 10 1 GJCF Cc1c(C)c(O)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1O 587823563 UYMGRPGTTXPTRW-QPFGOUBPSA-N 394.284 4.548 10 1 GJCF CC(C)(C)c1cc([C@@]2(c3ccccc3)NCCc3ccc(O)cc32)c(O)cc1O 963351592 HEBGDQQXHIGCTC-VWLOTQADSA-N 389.495 4.539 10 1 GJCF COc1ccc([C@@H]2Sc3ccccc3-n3c(CN(C)C)ccc32)c(OC)c1 2567728 ICMCIDYUTSXGGO-QFIPXVFZSA-N 380.513 4.751 10 1 GJCF O=C1c2ccccc2C(=O)c2c1cc(Sc1ccccc1F)c1nsnc21 473124853 XKCNPFZDDGNASF-UHFFFAOYSA-N 392.436 4.757 10 1 GJCF COc1cccc(O)c1CN1CCC[C@@H](C(=O)c2cccc(C(F)(F)F)c2)C1 12315000 TYWFLGNJKJLSCT-OAHLLOKOSA-N 393.405 4.515 10 3 GJCF COc1ccc([C@H](Nc2cccc(C)n2)c2ccc3cccnc3c2O)cc1O 199308451 GBVYRUWUOYSPSL-NRFANRHFSA-N 387.439 4.560 10 1 GJCF O=C1c2ccccc2C(=O)c2c1ccc1nc([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c21 586892666 VKXGRASLDXLLJW-VXCOBSFUSA-N 382.463 4.806 10 1 GJCF COc1cc(C)c(O)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587811405 ZXYSACRAXYKTRL-XTZNXHDOSA-N 394.284 4.543 10 1 GJCF CC(=O)Oc1ccc(-n2c(-c3ccccc3)cc3c2CCCC3)cc1C(=O)O 39194351 JATDZALISONVQC-UHFFFAOYSA-N 375.424 4.647 10 1 GJCF CCc1ccc(O)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587820408 CWDUMFJOSPOIDR-WYRIXSBYSA-N 378.285 4.654 10 1 GJCF CN1C=C2Sc3ccc(OCCN4CCCC4)cc3N=C2c2ccccc21 1857538641 UDHAMWQNAVYYGO-UHFFFAOYSA-N 377.513 4.679 10 1 GJCF Cc1ccc(-n2c(C)cc([C@@H]3NC[C@@H]4CC(=O)N(C)c5cccc3c54)c2C)cc1C 963036263 XBXILGGTZPWTSU-AFMDSPMNSA-N 399.538 4.854 10 1 GJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(O)ccc(Cl)c2F)N1 587714428 FNIJTKDNNOHTJE-GYKQLYQFSA-N 388.639 4.710 10 1 GJCF CCN(C)c1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587742470 RNRCPXDTLYBNEM-CWTRNNRKSA-N 377.301 4.668 10 1 GJCF Cc1cc(-c2csc([C@H]3CN4CCC[C@H]4CO3)n2)c(C)n1-c1ccccc1F 587922480 PEABHGFZCNGJBA-HRAATJIYSA-N 397.519 4.892 10 1 GJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc([N+](=O)[O-])cc3[nH]1)[C@H]1CC=C[C@@H]21 587277413 VPJMHTBRAIQPNS-TYILLQQXSA-N 391.387 4.514 10 1 GJCF CCc1ccc(O)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587823491 UQFARHJTPSWJPK-WLRWDXFRSA-N 378.285 4.654 10 1 GJCF O=C1c2ccccc2C(=O)c2c1ccc1nc(Cc3c[nH]c4ccc(F)cc34)[nH]c21 587174374 IPFWYGRPVOIXCL-UHFFFAOYSA-N 395.393 4.550 10 1 GJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc([N+](=O)[O-])cc3[nH]1)[C@H]1CC=C[C@H]21 587277412 VPJMHTBRAIQPNS-NJSLBKSFSA-N 391.387 4.514 10 1 GJCF CC1(C)COc2c(-c3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)cccc21 586910850 BYXBPUWMLFODHC-UHFFFAOYSA-N 394.430 4.675 10 1 GJCF Cc1c(C)c(O)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1O 587824034 YFJXFVWJGHDCDN-RBHXEPJQSA-N 394.284 4.548 10 1 GJCF COc1cc(C)cc2c(-c3c(O)cc(O)c4c3C[C@H](C)N[C@@H]4C)c(C)cc(O)c12 2356708471 QWEIHUARSAMIEW-UONOGXRCSA-N 393.483 4.844 10 1 GJCF O=C(O)c1cc(-c2ccc(C/N=N/c3ccc([N+](=O)[O-])cn3)o2)ccc1Cl 169688873 BFCNLMIGRRIXDE-QZQOTICOSA-N 386.751 4.885 10 1 GJCF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@H]2CCCN=[N+]=[N-] 963863398 VQNYKMQFEPXVCS-WBVHZDCISA-N 388.468 4.763 10 1 GJCF COc1ccc(OC)c(-c2ccc(O)c(CNC[C@@H](C)c3ccccc3)c2)c1 45193093 QMBJHQJVQBDQDL-QGZVFWFLSA-N 377.484 4.970 10 1 GJCF CN(C)CCCOc1cc2oc3c(c2c2ccccc12)C(=O)c1ccccc1C3=O 13651669 SBNXNZSLSYQGCZ-UHFFFAOYSA-N 399.446 4.692 10 1 GJCF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@@H]2CCCN=[N+]=[N-] 963863397 VQNYKMQFEPXVCS-NVXWUHKLSA-N 388.468 4.763 10 1 GJCF CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3c(F)cccc23)cc1 26841352 YGMPXDXJCRNJNC-UHFFFAOYSA-N 381.432 4.642 10 1 GJCF CCCCS[C@@H]1c2c(O)cc(OC)c(C)c2C(=O)N1c1ccc(OC)cc1 28950833 NYFROLARBSUFPR-OAQYLSRUSA-N 387.501 4.910 10 1 GJCF COc1cc2c3c(c1)O[C@@H](c1cc(C)n(-c4ccc(F)cc4F)c1C)[C@@H](C2)C3=O 587425350 CBWPWWUKRPWKSB-SBUREZEXSA-N 395.405 4.870 10 1 GJCF Cc1cc(C)c(O)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587822590 POWOFAUZZHZMHW-HXPMCKFVSA-N 378.285 4.708 10 1 GJCF C[C@H](NC(=O)[C@@H](C)F)c1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1 149932833 KSWQERSCRURBGM-SJORKVTESA-N 396.506 4.614 10 1 GJCF Cc1cc(O)c(Oc2cc(C)cc(O)c2Oc2cc(C)cc(O)c2O)c(O)c1 1772611664 MUDKUUCVAQMANU-UHFFFAOYSA-N 384.384 4.724 10 1 GJCF Oc1c(CN2CCCC2)cc(Cn2ccc3cccc(F)c32)c2cccnc12 1857640933 WZVOHNCZRAOGPK-UHFFFAOYSA-N 375.447 4.678 10 1 GJCF CC(=O)O[C@@H]1C[C@@H](C)c2c(cc(C(=O)O)c(O)c2O)[C@@H]1[C@@H](C)CCC=C(C)C 210401879 SPQIFYGJYQZMOT-DECQCQTCSA-N 390.476 4.701 10 1 GJCF COc1cc(C)cc2c(-c3c(O)cc(O)c4c3C[C@H](C)N[C@H]4C)ccc(O)c12 592680 JOXWHCNNDTWJPX-STQMWFEESA-N 379.456 4.536 10 1 GJCF biogenic CCCn1c(O)c(/N=N\C(=O)c2cccnc2)c2cc(Br)ccc21 102766379 GGQUJVFIKJYUSM-MRCUWXFGSA-N 387.237 4.839 10 1 GJCF C[C@]1(c2cccc(NC(=O)CN=[N+]=[N-])c2)CC(=O)c2ccc3c(c2O1)CCCC3 587512396 XIHWORRFPZJHCK-JOCHJYFZSA-N 390.443 4.695 10 1 GJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Cl)cnc3[nH]1)[C@H]1CC=C[C@@H]21 587272191 PFFQWNNIFCZLHH-IGCXYCKISA-N 381.823 4.654 10 1 GJCF Cc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1C 587820928 GCHKJIVFFKQOJO-WYRIXSBYSA-N 378.285 4.708 10 1 GJCF CCCOc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587793467 MYOMTFNEKLVRLB-JEOXALJRSA-N 394.284 4.706 10 1 GJCF Cn1nc(C(C)(C)C)cc1NC(=O)Nc1ccc(Oc2ccc(N)cc2)cc1 13442521 ZGFIEXXXFHTSCC-UHFFFAOYSA-N 379.464 4.736 10 1 GJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](/C=C/c2ccc(N(C)C)cc2)N1 587758549 YAUBCXSYYWOPAB-KEJJOKIVSA-N 389.312 4.943 10 1 GJCF O=C(Cc1ccncc1)N1CCC(=C2c3ccccc3CCc3ccccc32)CC1 11495144 MEYDWBMKHXMFSV-UHFFFAOYSA-N 394.518 4.847 10 1 GJCF CC[C@]1(c2ccc(N(C)C)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587753736 HZNJUTBPMOCZPG-RNODOKPDSA-N 391.328 4.842 10 1 GJCF COc1cc(C)cc2c(-c3c(O)cc(O)c4c3C[C@H](C)N[C@H]4C)c(C)cc(O)c12 2356708469 QWEIHUARSAMIEW-KBPBESRZSA-N 393.483 4.844 10 1 GJCF O=c1oc2ccccc2cc1C1=NN(c2ccccc2)[C@H](c2ccc(O)c(O)c2)C1 96932485 HROSMEJLZZYDJV-FQEVSTJZSA-N 398.418 4.560 10 1 GJCF O=C(Nc1ccc(-c2ccccc2)cc1)[C@H]1CCCN(Cc2ccccc2O)C1 1857582042 UHQPOVHFXXNASK-QFIPXVFZSA-N 386.495 4.910 10 1 GJCF CN(C)c1ccc(-c2cc3c(Nc4ccc5c(c4)OCO5)nccc3n2C)cc1 1857611687 QHZXWLKTNNBPAT-UHFFFAOYSA-N 386.455 4.779 10 1 GJCF CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@@H]1/N=N\c1ccccc1O 102612058 MMXLXKHLGDUTHT-LINNUKDLSA-N 391.456 4.699 10 1 GJCF CN(C)[C@@H](c1ccc(F)cc1)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587162841 FJKKLDDBHWTDFS-NRFANRHFSA-N 376.435 4.728 10 1 GJCF O=C1C[C@@H](c2ccc(O)c(CN3CCCCC3)c2)Oc2c1ccc1c2CCCC1 587512079 BQNPPZSYYFNHML-DEOSSOPVSA-N 391.511 4.963 10 1 GJCF Cc1cc(O)nc2c1C(=O)c1c(CCCCCCCC(C)C)cc(O)nc1C2=O 2356716357 KFKOTHCXRDTJMM-UHFFFAOYSA-N 396.487 4.511 10 1 GJCF COc1ccc(CN2C(=O)/C(=C\c3ccc(N(C)C)cc3)c3ccccc32)cc1 474609958 YCEWSGGCLWKPBF-KQWNVCNZSA-N 384.479 4.849 10 1 GJCF Cc1cc(-c2csc([C@@H]3CN4CCC[C@H]4CO3)n2)c(C)n1-c1ccccc1F 587922485 PEABHGFZCNGJBA-KKSFZXQISA-N 397.519 4.892 10 1 GJCF Cc1cnc(SC[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587609727 DBYOHWKYOHPXAH-OXQOHEQNSA-N 399.493 4.670 10 1 GJCF CC1(C)O[C@H]2c3ccccc3C(=O)C(=O)[C@H]2[C@@H]1Nc1ccc(Cl)c(Cl)c1 45316730 QVEMLFNIOZASOI-MNEFBYGVSA-N 390.266 4.706 10 1 GJCF Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1N(C)C 587754810 LCSALCAZRPDBEW-BUXKBTBVSA-N 377.301 4.586 10 1 GJCF O=C(c1ccccc1)c1ccc2ccc(/C=C/c3ccc(O)c(O)c3)nc2c1O 28463560 NPMZQOVYGROOGN-UXBLZVDNSA-N 383.403 4.753 10 1 GJCF Cc1cc(C)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587819586 BGGOQLZJFHFSDJ-CWTRNNRKSA-N 378.285 4.708 10 1 GJCF CCc1cc(C(=O)/N=N\c2c(O)[nH]c3ccc([N+](=O)[O-])cc23)c2ccccc2n1 102597309 XELOJBOAXDYZJW-VHXPQNKSSA-N 389.371 4.816 10 1 GJCF CC(=CCC[C@@]1(C)C=Cc2cc(CCc3cccc(O)c3O)ccc2O1)CO 2356603982 MYFQBSFOYRALBJ-DEOSSOPVSA-N 380.484 4.766 10 1 GJCF CC(=CC=C[C@@H](C)CCC=C(C)[C@@H]1OC(=O)C(=O)C1=O)CCCc1ccoc1 2356613529 OTLUUQOHVRZSKD-ZHRRBRCNSA-N 384.472 4.531 10 1 GJCF Cc1nc(C2CC2)sc1-c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587011439 GGEPJCCKGHWRIW-UHFFFAOYSA-N 385.448 4.648 10 1 GJCF c1ccc(CN2CCN(CCNc3c4ccccc4nc4ccccc34)CC2)cc1 45302687 FMYHQVKJJGJTGU-UHFFFAOYSA-N 396.538 4.618 10 1 GJCF Cc1cc2c(cc1F)[C@H](c1cc(C)n(-c3ccc4c(c3)OCO4)c1C)NCC2 962373858 KEZDZPYFFZZRHV-QHCPKHFHSA-N 378.447 4.505 10 1 GJCF COc1cccc2c(-c3ccc4c(c3O)[C@@H](C)N[C@H](C)C4)c(O)cc(OC)c12 95486317 YLKXTMUWAMSTTA-CHWSQXEVSA-N 379.456 4.530 10 1 GJCF biogenic,in-vitro Nc1ccc(Oc2ccc(NC(=O)C[C@H](CC(=O)O)c3ccccc3)cc2)cc1 217071459 MOYABJRZRGJNSQ-QGZVFWFLSA-N 390.439 4.648 10 1 GJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(c2)CCCN3C)N1 587768684 VRVOONBNDIPZFH-MPBGBICISA-N 389.312 4.594 10 1 GJCF CN(C)c1ccc(-c2nc3ccc(I)cc3s2)cc1 1550765 FGQRNGPGBIJMET-UHFFFAOYSA-N 380.254 4.634 10 1 GJCF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccc(O)c(O)c1)CC2=O 587479953 DGKKPAZSJXPUFY-XMMPIXPASA-N 390.435 4.665 10 1 GJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](/C=C/c2ccc(N(C)C)cc2)N1 587758551 YAUBCXSYYWOPAB-OCIFPSRHSA-N 389.312 4.943 10 1 GJCF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1c(C)n(CC(=O)OC)c2ccccc12 963229636 OMADRZDBXPUIQA-SSOJOUAXSA-N 390.527 4.869 10 1 GJCF CN(C)c1ccc([C@]2(C(F)(F)F)c3ccc(F)cc3C[C@@H]3CCCN32)cc1 963091669 JKZJLFGZTNBQOL-AZUAARDMSA-N 378.413 4.718 10 1 GJCF COc1ccc2c(c1OC)[C@H](c1c(F)ccc(C(F)(F)F)c1O)N(C)[C@@H](C)C2 962628225 LOSQNZKYRDUJPF-DYZYQPBXSA-N 399.384 4.533 10 1 GJCF CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1cc(Br)ccc1O 95559199 PJEDOIISLYAPKS-MRXNPFEDSA-N 393.668 4.506 10 1 GJCF CCCOc1ccc(N2CC(Oc3ccc([C@H](C)CC(C)=O)cc3)C2)c(OC)c1 96172854 CUIWOIUPAHMAJY-QGZVFWFLSA-N 397.515 4.834 10 1 GJCF Cc1cc(C)c(O)c(CN(Cc2ccc(O)cc2)C(=O)Nc2ccccc2)c1 45338872 NBVZPICHNRCCJN-UHFFFAOYSA-N 376.456 4.949 10 1 GJCF COc1cccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@H]43)[nH]c12 587276637 NIRNLOGKENGXOT-IQUTYRLHSA-N 376.416 4.615 10 1 GJCF CCCc1c(O)ccc2c1O[C@H](c1c(C)n(C)c3ccc(OC)cc13)CC2=O 587471269 PKERXNNQWQDAGB-NRFANRHFSA-N 379.456 4.860 10 1 GJCF Cc1cc(C)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587823878 WZQPOSCRHLPTKT-CWTRNNRKSA-N 378.285 4.708 10 1 GJCF CC1(C)COC(c2cccc(-n3c(CCC(=O)O)ccc3-c3ccccc3)c2)=N1 587936520 UMEZLIVDCOQIDV-UHFFFAOYSA-N 388.467 4.717 10 1 GJCF O=C1C[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@@H](c2ccccc2)C1 3589075 JCRKSTFTQQLWFT-DHIUTWEWSA-N 380.443 4.983 10 1 GJCF Brc1ccc(NCCCn2c3c(c4ccccc42)CCNC3)cc1 1857545463 WMVGGVCFQLCZBX-UHFFFAOYSA-N 384.321 4.552 10 1 GJCF Cc1cc(O)c2oc3c(O)c(O)cc(C)c3c3c(C)cc(O)c(O)c3oc2c1 14687358 PSZMLNIAWXBYSK-UHFFFAOYSA-N 382.368 4.910 10 1 GJCF biogenic CCN1CCc2cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)ccc21 587768001 SLXIDNCAPZEHIY-MPBGBICISA-N 389.312 4.594 10 1 GJCF Cc1ccc([C@@H]2N=C(c3ccc4c(c3)OCO4)C[C@H](c3ccccc3O)N2)cc1 58136109 MGVYUAIJJICLBX-HYBUGGRVSA-N 386.451 4.652 10 1 GJCF c1csc(CN2CCN(c3ccc(-c4nc5ccccc5o4)cc3)CC2)c1 95586099 LBIAJGFUKTWUOU-UHFFFAOYSA-N 375.497 4.879 10 1 GJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(c2)CCCN3C)N1 587764061 BQYZVLWVOURHPV-YUNKPMOVSA-N 389.312 4.594 10 1 GJCF Nc1c(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)ccc2ccccc12 587253962 UEJKLAXFRSGGIP-UHFFFAOYSA-N 389.414 4.741 10 1 GJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(O)cccc2Cl)N1 587692070 JNHHKULOXLYLHB-XLFHBGCDSA-N 384.676 4.745 10 1 GJCF CC[C@@]1(c2cc(F)ccc2O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587732499 NMIURRRPTABADJ-XTZNXHDOSA-N 382.248 4.621 10 1 GJCF CCCN(CCCCCc1ccc(O)c(O)c1)[C@H]1CCc2c(O)cccc2C1 1857591325 TXJZKUBFJGPDAH-FQEVSTJZSA-N 383.532 4.786 10 1 GJCF Cc1c(C)c2c(c(-c3cc(-c4ccc(O)c(O)c4)no3)c1O)CCC(C)(C)O2 49808540 DLIZAVGZAGPHMS-UHFFFAOYSA-N 381.428 4.846 10 1 GJCF Nc1cc2c(NC(=O)NCc3ccc(N4CCCCCC4)cc3)cccc2cn1 14973465 NXWKXRQXUDWDHI-UHFFFAOYSA-N 389.503 4.519 10 1 GJCF COc1ccc([C@H]2CN(c3c(C)c(C)c4c(c3C)CC(C)(C)O4)CCO2)cc1 114330815 MKVVZDPDMCNRAV-OAQYLSRUSA-N 381.516 4.912 10 1 GJCF C[C@]1(c2ccc(O)c(CN3CCCC3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587515561 VBEZRYONSOMTAZ-RUZDIDTESA-N 391.511 4.747 10 1 GJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)cc(F)c2O)N1 587716850 FBFLOOJHOGLXFR-KWKYVRJSSA-N 388.639 4.710 10 1 GJCF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccc(O)c(O)c1)CC2=O 587479948 DGKKPAZSJXPUFY-DEOSSOPVSA-N 390.435 4.665 10 1 GJCF Cc1cc(C)c(O)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587821294 HEWHZKXPOGDCIH-CWTRNNRKSA-N 378.285 4.708 10 1 GJCF C[C@@]1(c2cccc(Cl)c2O)NC2(CC2)Cc2ccc(Br)cc21 961753967 YYOCBKDIHBDPDU-KRWDZBQOSA-N 378.697 4.750 10 1 GJCF CCCOc1ccc(N2CC[C@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)c(C)c1 1772580219 NKNHXPOIPXMSCM-MBSDFSHPSA-N 396.531 4.639 10 1 GJCF CCN(CC)c1ccc(/C=c2\nc(-c3ccccc3)n3c2nc2ccccc23)cc1 1662865 GWFBLCIAKFHXBS-NKFKGCMQSA-N 392.506 4.943 10 1 GJCF N[C@H](N=O)c1ccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2c1 587078341 OGPMGQWPBRYPMV-YRQNITAISA-N 379.851 4.767 10 1 GJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)cc(F)c2O)N1 587716861 FBFLOOJHOGLXFR-NZFNHWASSA-N 388.639 4.710 10 1 GJCF CCOC(=O)[C@]1(C)C(/N=N\c2ccc(Cl)cc2)=C(O)C(=O)N1c1ccccc1 102636049 JAYBTYFNAXCBKH-LPNGOHTBSA-N 399.834 4.562 10 1 GJCF C[C@H](Oc1ccc(F)cc1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587169505 YAUGJYILXGASTL-LBPRGKRZSA-N 386.382 4.617 10 1 GJCF COc1cc2c(cc1OC)[C@@H](c1c(O)cc(C(F)(F)F)cc1F)N(C)[C@H](C)C2 962638174 OXECNMGPYGPKDS-DGIBIBHMSA-N 399.384 4.533 10 1 GJCF CC(C)C(=O)N[C@@H](C)c1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1 149956892 BKDSORGNCGLZFR-SFHVURJKSA-N 392.543 4.912 10 1 GJCF CCOc1ccc(N2CC(Oc3ccc([C@H](C)CC(=O)C4CC4)cc3)C2)cc1 96172907 GFJGVYSUPAMFNC-QGZVFWFLSA-N 379.500 4.826 10 1 GJCF CCOC(=O)[C@]1(C)C(N=Nc2ccccc2Cl)=C(O)C(=O)N1c1ccccc1 254010486 HNKMMWNZUCJYTD-FQEVSTJZSA-N 399.834 4.562 10 1 GJCF CC1(C)[C@H]2CC[C@@]1(C)[C@H](OC(=O)/C=C/c1cc(O)c(O)c(Br)c1)C2 299828266 HWNIHEICEKMZER-KWJJZWPZSA-N 395.293 4.632 10 1 GJCF O=C(Cn1c(-c2ccccn2)nc2ccccc21)N=Nc1c(O)[nH]c2ccccc12 617960079 RAOKRRMTSXKWQX-UHFFFAOYSA-N 396.410 4.596 10 1 GJCF Nc1ccc(Oc2ccc3nc(/C=C\C(=O)Nc4ccc(F)cc4)[nH]c3c2)cc1 587166739 HVNKEHNJPJPFCF-QXMHVHEDSA-N 388.402 4.728 10 1 GJCF CCCOc1cccc(Cc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c1 587779265 XDYTZIUMRBNHQU-UHFFFAOYSA-N 396.446 4.718 10 1 GJCF CCCc1c(O)ccc2c1O[C@H](c1ccc(O)c(CN3CCCCC3)c1)CC2=O 587477335 XNUOWXCCARJPDF-QHCPKHFHSA-N 395.499 4.743 10 1 GJCF Cc1cc(CNC(=O)Nc2cccc3[nH]ncc23)ccc1N1[C@H]2CCC[C@@H]1CC2 14973586 AIOOQLYLPSULMB-HDICACEKSA-N 389.503 4.714 10 1 GJCF COc1ccc([C@H](O)[C@H](C)c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc1 587934421 DMSINOVYMLJZHY-RCDICMHDSA-N 389.455 4.783 10 1 GJCF Oc1ccc(C2=NN(c3ccccc3)[C@@H](c3noc(-c4ccc(O)cc4)n3)C2)cc1 96911228 XQLTWKMRFZVPEK-OAQYLSRUSA-N 398.422 4.504 10 1 GJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N(C)C)cc2Cl)N1 587693359 JRYVLNLGGBNULL-XTZNXHDOSA-N 397.719 4.931 10 1 GJCF Cc1cc2c(O)nc(CSC(=S)NCc3ccc(Cl)cc3)nc2s1 1857745358 VNOBNTSOPCMRFJ-UHFFFAOYSA-N 395.962 4.667 10 1 GJCF CC(=CCc1cc(O)c(O)c(C=O)c1O)CCC=C(C)CCC[C@H](C)C(=O)O 2356481458 QNEAGEXRNPOWHW-INIZCTEOSA-N 390.476 4.722 10 1 GJCF Nc1ccc2c(Nc3ccc(CN4CCCC4)cc3)c3ccc(N)cc3nc2c1 26637364 MJEQULGRFZPRKI-UHFFFAOYSA-N 383.499 4.892 10 1 GJCF O=C(NCc1cc(F)c(N2CCCCCC2)c(F)c1)Nc1cccc2[nH]ncc12 14973521 HSMAOWOUKFTCGP-UHFFFAOYSA-N 399.445 4.543 10 1 GJCF CC[C@@]1(c2cc(F)ccc2O)N[C@H](C)Cc2cc(Br)c(F)cc21 587732497 NMIURRRPTABADJ-MLCYQJTMSA-N 382.248 4.621 10 1 GJCF COc1cc(/C=C/c2nc3cc(Cl)cc(Br)c3[nH]2)cc(O)c1O 587784958 GGGUHMMFXHCWCW-NSCUHMNNSA-N 395.640 4.569 10 1 GJCF Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(C(F)(F)F)cc1 3814552 WFGUZIQCDFNMEC-UHFFFAOYSA-N 379.403 4.875 10 1 GJCF Cc1c(F)ccc2c1[C@@](CCCCCC(=O)O)(c1ccc(N(C)C)cc1)NCC2 962089334 GNALWQXTTFFENH-XMMPIXPASA-N 398.522 4.625 10 1 GJCF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(O)c(CN3CCCC3)c1)CC2=O 587475531 OWSNPVGZGALRSB-XMMPIXPASA-N 395.499 4.527 10 1 GJCF COc1cc(C)c(O)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587811404 ZXYSACRAXYKTRL-MLCYQJTMSA-N 394.284 4.543 10 1 GJCF COc1ccc2c(c1OC)[C@H](c1ccc(N3CCCCC3)cc1)N(C)[C@H](C)C2 962628097 OFSYQCOUECYYAL-HXOBKFHXSA-N 380.532 4.660 10 1 GJCF O=C1N=C(NCCc2cccc(Cl)c2)S/C1=C\c1ccc2ncccc2c1 28821295 YEBLRTZBIRRDLW-UYRXBGFRSA-N 393.899 4.691 10 1 GJCF NC(=O)c1ccc(N=Nc2c(-c3ccccc3)nn(-c3ccccc3)c2O)cc1 617978369 JDUABXRMYKPOTN-UHFFFAOYSA-N 383.411 4.759 10 1 GJCF COc1cc2nc3c(cc2c(CN2CCCC2)c1O)CSc1cc(F)ccc1-3 43014322 FHQUFLRZWNQGNR-UHFFFAOYSA-N 396.487 4.957 10 1 GJCF COc1ccc(N2CCN(c3c(C)c(C)c4c(c3C)CC(C)(C)O4)CC2)cc1 114333316 BBLZNCBOMKSSDU-UHFFFAOYSA-N 380.532 4.661 10 1 GJCF O=C(O)c1cc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2cc1F 587077963 DFDCJSDIHVKAHO-PISHQANHSA-N 383.810 4.880 10 1 GJCF Nc1cc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c2ccccc2c1 587251549 IRAFCQDILLBRSX-UHFFFAOYSA-N 389.414 4.741 10 1 GJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cncc(Cl)c3[nH]1)[C@H]1CC=C[C@H]21 587271527 FAJFOZWTMQMCIT-PRXAMGSTSA-N 381.823 4.654 10 1 GJCF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(OC(F)(F)F)cc2O)N1 962951409 SWYAOONZPYHZDP-ADLMAVQZSA-N 376.378 4.786 10 1 GJCF CCC(=O)N1c2ccccc2N=C2CCCC(=O)[C@@H]2[C@@H]1c1ccc(N(C)C)cc1 18209007 ARCASDKSEGBXHN-RPWUZVMVSA-N 389.499 4.692 10 1 GJCF CCCOc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587793474 MYOMTFNEKLVRLB-WLRWDXFRSA-N 394.284 4.706 10 1 GJCF C[C@@H](Oc1ccccc1)C(=O)N=Nc1c(O)[nH]c2ccc(Br)cc12 253981558 DJUPBMMFTVNSHA-SNVBAGLBSA-N 388.221 4.714 10 1 GJCF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(O)c(CN3CCCC3)c1)CC2=O 587475529 OWSNPVGZGALRSB-DEOSSOPVSA-N 395.499 4.527 10 1 GJCF O=S(=O)(Nc1cc(Cl)cc(Cl)c1)c1cc(Cl)cc(Cl)c1O 28951299 FAENTRLAKWOZMK-UHFFFAOYSA-N 387.071 4.807 10 1 GJCF Cc1c(CN2CCN(C)CC2)cc(-c2ccc(F)cc2)n1-c1ccccc1Cl 36471723 CBQAYBUHWAQCQR-UHFFFAOYSA-N 397.925 4.993 10 1 GJCF Oc1ccccc1CNCCCCNc1c2c(nc3ccccc13)CCCC2 95562822 OAZWZTVBEQJENH-UHFFFAOYSA-N 375.516 4.801 10 1 GJCF CC(C)=CCc1cc(O)c(O)c2oc3cc4c(c(O)c3c(=O)c12)C(C)(C)[C@@H](C)O4 238773735 VODXTKBNNLRCHN-LLVKDONJSA-N 396.439 4.630 10 1 GJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(c2)C[C@@H](C)N3C)N1 587760832 LZQYAPOLJURFEV-HTGLOVNISA-N 389.312 4.593 10 1 GJCF C[C@@]1(c2ccc(N3CCCNCC3)cc2)NCCc2cc(-c3ccccc3)ccc21 962667644 PGYLCGKOYKTQGF-MHZLTWQESA-N 397.566 4.563 10 1 GJCF CCN(C)c1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587742715 SWXFOIGNXDDIHJ-ZUOKHONESA-N 391.328 4.842 10 1 GJCF CN(C)c1ccc(/C=C/C=C2\C(=O)N(Cc3ccccc3)c3ncccc32)cc1 474606979 IFNYCAWFLUPTCF-NGFKQFCPSA-N 381.479 4.791 10 1 GJCF Cc1ccc(NC(=S)N2N=C(c3ccc(O)cc3)C[C@@H]2c2ccco2)cc1 45335906 BPDSDKINEJPCTC-LJQANCHMSA-N 377.469 4.842 10 1 GJCF COc1cccc(C2=N[C@@H](c3ccccc3OC)N[C@@H](c3ccccc3O)C2)c1 53363349 WZSLVMPTHWXTHR-ZJSXRUAMSA-N 388.467 4.632 10 1 GJCF Oc1ccc(C2=NN[C@@H](c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)C2)cc1 73224962 AMIJBYQYLMSRCN-HSZRJFAPSA-N 398.441 4.823 10 1 GJCF CC[C@@]1(c2ccc(C)cc2O)N[C@H](C)Cc2cc(Br)c(F)cc21 587822336 NBZQPAVQOKMEFJ-BLVKFPJESA-N 378.285 4.790 10 1 GJCF Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1N(C)C 587751931 BYBKXZXCWLQCJS-CWTRNNRKSA-N 377.301 4.586 10 1 GJCF O=C1c2ccccc2C(=O)c2c1ccc1nc([C@H]3C[C@@]34CCc3ccccc34)[nH]c21 586885257 AQJBAOWWZSLFBE-NIYFSFCBSA-N 390.442 4.710 10 1 GJCF COc1cc(/C=C\c2nc3ccc(OCc4ccccc4)cc3[nH]2)cc(O)c1O 587786456 UHRSTPOVMLNROL-YFHOEESVSA-N 388.423 4.732 10 1 GJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc([N+](=O)[O-])c3[nH]1)[C@@H]1CC=C[C@@H]21 587276411 LDNKXOKFYPEXAP-VFVRVIDISA-N 391.387 4.514 10 1 GJCF COc1ccc2c(c1)[C@@]1(Cc3ccccc3)CCN(C)[C@H]1N2Cc1ccccc1 40845558 DPNSCHBYEBLOPZ-UIOOFZCWSA-N 384.523 4.858 10 1 GJCF CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@H]1/N=N\c1ccccc1O 17748317 MMXLXKHLGDUTHT-KYAFNBKBSA-N 391.456 4.699 10 1 GJCF Oc1ccc(-c2ccnc3cc(Cl)ccc23)cc1CNCCCn1ccnc1 45290189 PCPFYCQPTAYYGN-UHFFFAOYSA-N 392.890 4.637 10 1 GJCF C/C(Cl)=C\Cn1c(O)c(N=NC(N)=S)c2cc(Br)ccc21 377871787 GXFFVQWGMMQOAK-GYZWDASGSA-N 387.690 4.579 10 1 GJCF O=C(O)CCCCCCCCCCCOC(=O)C=Cc1ccc(O)c(O)c1 2356484500 XEURKDHCDUEKTP-UHFFFAOYSA-N 378.465 4.640 10 1 GJCF COc1ccccc1NC(=S)N1N=C(c2ccc(O)cc2)C[C@@H]1c1ccco1 45335921 CIMQQTPMGYOWGH-GOSISDBHSA-N 393.468 4.542 10 1 GJCF COc1ccc(OC)c(-c2ccc(O)c(CNC[C@H]3C[C@H]4C=C[C@@H]3C43CC3)c2)c1 12208126 KLJGVWUTMKTLBU-JUXOCIIHSA-N 391.511 4.768 10 1 GJCF CCOC(=O)[C@]1(C)C(/N=N/c2cccc(Cl)c2)=C(O)C(=O)N1c1ccccc1 101897983 OMKNGPROZOYFFI-UTTYWZDOSA-N 399.834 4.562 10 1 GJCF COc1ccc(-c2c(O)cc(O)c3c2C[C@@H](C)N[C@@H]3C)c2cc(C)cc(OC)c12 3811681 PLLKZICNVDBVIE-ZIAGYGMSSA-N 393.483 4.839 10 1 GJCF biogenic Oc1ccc([C@@H]2CC(c3ccccc3O)=NN2C(=S)Nc2ccccc2)cc1 29045056 CGZGEJSUZRVTIR-FQEVSTJZSA-N 389.480 4.646 10 1 GJCF COc1cccc(NC(=S)N2N=C(c3ccc(O)cc3)C[C@@H]2c2ccco2)c1 45389731 XXQOTYNBNCAALK-LJQANCHMSA-N 393.468 4.542 10 1 GJCF CCN(C)c1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587742469 RNRCPXDTLYBNEM-BUXKBTBVSA-N 377.301 4.668 10 1 GJCF COc1ccc2c(c1)[C@@H](c1cc3c4c(c1)CCCN4CCC3)N(C(C)C)CC2 962087034 DZPMMYQTWAZWDL-RUZDIDTESA-N 376.544 4.750 10 1 GJCF C=c1cc(Cl)cc2s/c(=c3/sc4cc(Cl)cc(=C)c4c3O)c(O)c12 169717344 ZATNBKBMTXYJPK-ISLYRVAYSA-N 393.316 4.942 10 1 GJCF c1ccc(-c2cccc3c2[C@]2(CCc4cc(N5CCOCC5)ccc42)NCC3)cc1 962667850 WERSDJZVKBYZLR-HHHXNRCGSA-N 396.534 4.526 10 1 GJCF Cc1c(C(=O)O)cccc1-n1c(C)cc(C/N=N/c2ccc([N+](=O)[O-])cn2)c1C 169688909 UZWJOBQZWBYCGY-GHVJWSGMSA-N 393.403 4.688 10 1 GJCF CC(C)N1CCC2(CC1)N=C(c1ccc(Cl)cc1)C[C@H](c1ccccc1O)N2 4730076 ROXSSRNSTPRUNX-OAQYLSRUSA-N 397.950 4.770 10 1 GJCF CCC(=O)N[C@@H](C)c1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1 149935214 COYHYUQRLBJPLE-KRWDZBQOSA-N 378.516 4.666 10 1 GJCF CN(C)c1ccc(CNC(=O)c2ccc3nc(CCc4ccccc4)oc3c2)cc1 8611219 HODDFCSGEDLKAK-UHFFFAOYSA-N 399.494 4.609 10 1 GJCF C[C@]12CC[C@H](N=[N+]=[N-])C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O 2178319832 BZXPTGLHJDRODB-CESUGQOBSA-N 399.535 4.922 10 1 GJCF CC[C@@]1(c2ccc(F)cc2O)N[C@H](C)Cc2ccc(F)c(Br)c21 587725180 BXWJTYWKRGQDNC-MGNBDDOMSA-N 382.248 4.621 10 1 GJCF O=C(O)C[C@@H]1CCN(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1 1772650865 JBYQAYSTCPBGJS-ZDUSSCGKSA-N 380.271 4.873 10 1 GJCF Cc1nnc([C@]23CCCC(C)(C)[C@@H]2CC(=O)c2cc(C(C)C)c(O)c(O)c23)o1 1857581201 UIWPJMJLUDZISA-KSFYIVLOSA-N 384.476 4.611 10 1 GJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Cl)cc2O)N1 587701921 YGXFYIJUXIPWJO-XLFHBGCDSA-N 384.676 4.745 10 1 GJCF Oc1ccc(-c2cc(Br)c(-c3ccc(O)c(O)c3)s2)cc1O 142482051 VJLUXPGLXLBYEF-UHFFFAOYSA-N 379.231 4.667 10 1 GJCF Cc1cc2c(cc1F)[C@@H](c1cc(C)n(-c3ccc4c(c3)OCO4)c1C)NCC2 962373854 KEZDZPYFFZZRHV-HSZRJFAPSA-N 378.447 4.505 10 1 GJCF Cc1ccc(C)n1-c1cccc(COc2ccc3c(c2)OC[C@@H]3CC(=O)O)c1 653733799 XFJCIWZRIDQETP-SFHVURJKSA-N 377.440 4.624 10 1 GJCF CC[C@]1(c2ccc(C)cc2O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587822339 NBZQPAVQOKMEFJ-HXPMCKFVSA-N 378.285 4.790 10 1 GJCF COc1ccc2c(c1OC)[C@H](c1c(F)ccc(C(F)(F)F)c1O)N(C)[C@H](C)C2 962628218 LOSQNZKYRDUJPF-BMLIUANNSA-N 399.384 4.533 10 1 GJCF O=C1c2ccccc2C(=O)c2c1ccc1nc(COC/C=C/c3ccccc3)[nH]c21 587781036 OQRKYVHBMIRXJE-RMKNXTFCSA-N 394.430 4.568 10 1 GJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(Cl)c2O)N1 587696978 VJVYLRQOIQKTLV-XYZCENFISA-N 384.676 4.745 10 1 GJCF COc1ccc(-c2[nH]c(-c3ccc(O)c(O)c3)nc2-c2ccccc2)cc1OC 13282219 PEKYWWOYUYPCEI-UHFFFAOYSA-N 388.423 4.839 10 1 GJCF CC1=NN(c2cccc(C)c2)C(=O)/C1=C\c1ccc(-c2cccc(C(=O)O)c2)o1 40933951 DKTFRAVTPYCLIU-MOSHPQCFSA-N 386.407 4.759 10 1 GJCF Cc1c(O)c(CCC(C)C)c2c3c1OC(C)(C)N=C3c1cccc(O)c1C2=O 95577266 WMURTDFNFBXFFU-UHFFFAOYSA-N 379.456 4.505 10 1 GJCF Cc1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc2n1C 587575684 GIAJCOWFXLAZIS-URXFXBBRSA-N 385.419 4.895 10 1 GJCF COc1cc(/C=C\c2nc3cc(Br)cc(Cl)c3[nH]2)cc(O)c1O 587785537 NKDCFHYIYFEOGD-IHWYPQMZSA-N 395.640 4.569 10 1 GJCF Nc1ccc(Oc2ccc3nc(CCC(=O)Nc4cccc(F)c4)[nH]c3c2)cc1 587163686 UJKJFSLCESDUSR-UHFFFAOYSA-N 390.418 4.648 10 1 GJCF COc1ccc(CN2CCC[C@@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)c(O)c1 11956664 FNGPGEHLNKUIHA-MRXNPFEDSA-N 393.405 4.515 10 1 GJCF COc1ccc(CN(Cc2ccc(OC)c(O)c2)c2ccc(OC)cc2)cc1 103278865 XAKLPDFRHYRALQ-UHFFFAOYSA-N 379.456 4.625 10 1 GJCF COc1cc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@@H]43)[nH]c2cc1C 587277484 WWWGJZPXVSFYSK-LRAJWGHMSA-N 390.443 4.923 10 1 GJCF C=c1cc(Cl)cc2s/c(=c3\sc4cc(Cl)cc(=C)c4c3O)c(O)c12 169717345 ZATNBKBMTXYJPK-ZCXUNETKSA-N 393.316 4.942 10 1 GJCF COc1ccc(-n2cnc3cc(NCc4ccc(CN(C)C)cc4)ccc32)cc1 95580838 OEJXYGCRPFLPNA-UHFFFAOYSA-N 386.499 4.708 10 1 GJCF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)n(-c3ccc(F)cc3F)c1C)O2 587386319 VKUZNYPBZRMSGK-NRFANRHFSA-N 382.410 4.969 10 1 GJCF CC(C)=CCc1c(O)c(O)c2c(c1CC=C(C)C)C(=O)[C@@H]1C(O)=CC=C(O)[C@@H]1O2 238781071 OJFHQRYJPSDSRE-AVRDEDQJSA-N 398.455 4.573 10 1 GJCF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)n(-c3ccc(N(C)C)cc3)c1C)O2 587388478 CRGMRWCWGXYERN-QHCPKHFHSA-N 389.499 4.757 10 1 GJCF CC[C@@H](C)Oc1ccc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)cc1 1772575310 RVIJMAAMJXVXFD-NXMSCROESA-N 396.531 4.719 10 1 GJCF COc1cc(/C=C/c2nc3cc(Br)c(C)c(C)c3[nH]2)cc(O)c1O 587787108 ZLUZEKRRPIYLNA-SNAWJCMRSA-N 389.249 4.532 10 1 GJCF CC(C)N1CCN(CCCCNc2c3ccccc3nc3ccccc23)CC1 45315531 XACBOOJKBSTNOH-UHFFFAOYSA-N 376.548 4.606 10 1 GJCF Cc1cccc(OCc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c1C 587564515 UUSIBSGQMDXJET-UHFFFAOYSA-N 382.419 4.534 10 1 GJCF Nc1ccc(N2CCN3C[C@@H]2CC[C@H]3C(c2ccccc2)c2ccccc2)cc1 36177552 PTIQIHWOJDNCHH-DQEYMECFSA-N 383.539 4.754 10 1 GJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](/C=C/c2ccc(N(C)C)cc2)N1 587753717 HXYDRONMFBNFGS-PCRZUILPSA-N 389.312 4.943 10 1 GJCF CC(=O)Nc1c(C)cc(C)c2c1C(=O)C(=O)c1c(-c3ccc(F)cc3)coc1-2 45288919 MMBZSQXEAHFKAO-UHFFFAOYSA-N 377.371 4.707 10 1 GJCF COc1cc(C)c(O)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587809213 RUUXZAQJLRCGHY-XTZNXHDOSA-N 394.284 4.543 10 1 GJCF CC(C)=CCc1cc2c(=O)c3c(O)c4c(cc3oc2c(O)c1O)O[C@@H](C)C4(C)C 15256075 IBAHQFUORXONGI-NSHDSACASA-N 396.439 4.630 10 3 GJCF biogenic,in-vitro C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Cl)ccc2O)N1 587695420 BFUWNGJMXTXUNI-HUTHGQBESA-N 384.676 4.745 10 1 GJCF CCc1ccc(O)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587823490 UQFARHJTPSWJPK-NSPYISDASA-N 378.285 4.654 10 1 GJCF CN(C)c1ccc([C@@]2(C(F)(F)F)c3ccc(F)cc3C[C@H]3CCCN32)cc1 963091674 JKZJLFGZTNBQOL-QUCCMNQESA-N 378.413 4.718 10 1 GJCF CCCCN(CCCC)Cc1cc(N(C)c2ccc([N+](=O)[O-])cn2)ccc1O 45201384 FNWDUINUBQVBIR-UHFFFAOYSA-N 386.496 4.866 10 1 GJCF CC(=O)C[C@@H](C)c1ccc(OC2CN(c3ccc(OC4CCC4)cc3)C2)cc1 96172830 YULSDVSSSYWXQP-QGZVFWFLSA-N 379.500 4.968 10 1 GJCF COc1cc(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc(Cl)c1O 587046413 SPLTVCKPZAUCIY-UHFFFAOYSA-N 381.819 4.972 10 1 GJCF Oc1c([C@@H]2NCCc3cccc(-c4ccccc4)c32)cc2c3c1CCCN3CCC2 962668676 XDALBPRMCQXVJW-VWLOTQADSA-N 396.534 4.993 10 1 GJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Cl)ncc3[nH]1)[C@@H]1CC=C[C@@H]21 587272895 XTQPSBQYTJAQES-FMTVUPSXSA-N 381.823 4.654 10 1 GJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Cl)ncc3[nH]1)[C@H]1CC=C[C@H]21 587272898 XTQPSBQYTJAQES-PZROIBLQSA-N 381.823 4.654 10 1 GJCF Cc1cc(/N=N/c2cccc(S(=O)(=O)Nc3ccccn3)c2)cc(C)c1O 103283662 AXNRGDLGWUFGKG-QURGRASLSA-N 382.445 4.620 10 1 GJCF Cc1ccc(C)n1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 653733798 XFJCIWZRIDQETP-GOSISDBHSA-N 377.440 4.624 10 1 GJCF O=C(/N=N/c1c(O)[nH]c2ccccc12)c1cc(C23CC4CC(CC(C4)C2)C3)[nH]n1 103961420 BZXQYMBFQYTCID-CYYJNZCTSA-N 389.459 4.989 10 1 GJCF COc1ccc([C@@H](O)[C@@H](C)c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc1 587934420 DMSINOVYMLJZHY-PEBXRYMYSA-N 389.455 4.783 10 1 GJCF COc1cc(/C=C\c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc(O)c1O 587787110 ZTGPSTTXPISKIN-IHWYPQMZSA-N 384.741 4.825 10 1 GJCF COc1ccc2c3c(n(CCC(C)C)c2c1)-c1nc2ccccc2c(=O)n1CC3 1911577976 QFIIXSQCXMFEMN-UHFFFAOYSA-N 387.483 4.629 10 1 GJCF CC1(C)O[C@@H]2c3ccccc3C(=O)C(=O)[C@@H]2[C@@H]1Nc1ccc(Cl)c(Cl)c1 169310122 QVEMLFNIOZASOI-IPELMVKDSA-N 390.266 4.706 10 1 GJCF Oc1ccc2oc(-c3ccco3)cc2c1CN1CCC(N2CCCCC2)CC1 169349595 BWHGIHILNSPSDV-UHFFFAOYSA-N 380.488 4.849 10 1 GJCF CCCN(CCC)c1ccc2c(c1)C(=O)N1CCc3c([nH]c4ccccc34)[C@H]1O2 473092019 RPYZXEDHHOVNSH-XMMPIXPASA-N 389.499 4.884 10 1 GJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(F)c(F)c3[nH]1)[C@H]1CC=C[C@@H]21 587277123 PKQNZRJWZMOPCL-SOZUMNATSA-N 382.370 4.884 10 1 GJCF O=C1N=C(NCc2ccccc2Cl)S/C1=C\c1ccc2ncccc2c1 28821305 JTORONFPLIPVEU-WQRHYEAKSA-N 379.872 4.648 10 1 GJCF O=C(Nc1ccc(-c2ccccc2)cc1)[C@@H]1CCCN(Cc2ccccc2O)C1 1857582041 UHQPOVHFXXNASK-JOCHJYFZSA-N 386.495 4.910 10 1 GJCF COc1ccc(-c2c(O)cc(O)c3c2C[C@@H](C)N[C@H]3C)c2cc(C)cc(O)c12 2356604645 BTHDNVLXEZQYIK-OLZOCXBDSA-N 379.456 4.536 10 1 GJCF O=C(N=Nc1c(O)[nH]c2ccccc12)c1cc(C23CC4CC(CC(C4)C2)C3)n[nH]1 617960043 BZXQYMBFQYTCID-UHFFFAOYSA-N 389.459 4.989 10 1 GJCF Oc1cc(F)cc(Br)c1[C@@H]1c2ccc(F)cc2C[C@@H]2CCCN21 963106824 NXVAZMIGKAOYMT-UGSOOPFHSA-N 380.232 4.543 10 1 GJCF C[C@@H](c1ccc(N(C)C)cc1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587195995 OIXXMQAWGVKOKC-AWEZNQCLSA-N 395.462 4.556 10 1 GJCF Cc1cc(Cl)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O 587695449 JWLQPTHYKVGGTN-XXFAHNHDSA-N 384.676 4.879 10 1 GJCF CCN1CCc2cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc21 587769119 XAOGLLVFPVSCOY-YUNKPMOVSA-N 389.312 4.594 10 1 GJCF COc1ccc(N2CCN([C@H](Cc3cccc(O)c3)c3ccccc3)CC2)cc1 29469704 RLRDELQGJIIIHQ-RUZDIDTESA-N 388.511 4.507 10 1 GJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(Cl)nc3[nH]1)[C@H]1CC=C[C@H]21 587271841 JPFMCGFVJHGNTN-PRXAMGSTSA-N 381.823 4.654 10 1 GJCF Nc1ccc(/N=N/c2nc3ccc(I)cc3s2)cc1 96923148 AXNFGPOXWSBSHH-ISLYRVAYSA-N 380.214 4.899 10 1 GJCF O=C1c2ccccc2C(=O)c2c1ccc1nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c21 586892657 VKXGRASLDXLLJW-CCCGNOGTSA-N 382.463 4.806 10 1 GJCF Cc1cc(C)c([C@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)c(O)c1 962949744 CVPHGMFICWHCLT-HXUWFJFHSA-N 391.433 4.769 10 1 GJCF O=C1c2ccccc2C(=O)c2c1ccc1nc([C@H]3C[C@]34CCc3ccccc34)[nH]c21 586885253 AQJBAOWWZSLFBE-BCHFMIIMSA-N 390.442 4.710 10 1 GJCF CC(C)(C)c1cc(C(=O)N=Nc2c(O)[nH]c3ccc(Br)cc23)[nH]n1 617960085 VDFHRBYAYQFRIK-UHFFFAOYSA-N 390.241 4.581 10 1 GJCF O=C1/C(=C/C=C/c2ccccc2)SC(=S)N1Cc1nc2ccccc2[nH]1 5594937 INFVQDNJTTWMDE-NPDFUIFFSA-N 377.494 4.521 10 1 GJCF COc1ccc(OC)c(-c2ccc(O)c(CNC[C@H]3C[C@H]4C=C[C@H]3C43CC3)c2)c1 253683040 KLJGVWUTMKTLBU-SFGWALBWSA-N 391.511 4.768 10 1 GJCF COc1cc(N[C@H](C)CCN)c2ncccc2c1/N=N/c1ccc(C(=O)O)cc1 169322718 GZNJIVQRHWPBLM-NKYKXMNPSA-N 393.447 4.506 10 1 GJCF CC1(C)O[C@@H]2c3ccccc3C(=O)C(=O)[C@@H]2[C@H]1Nc1ccc(Cl)c(Cl)c1 253678828 QVEMLFNIOZASOI-KFKAGJAMSA-N 390.266 4.706 10 1 GJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(F)c(F)c3[nH]1)[C@@H]1CC=C[C@H]21 587277121 PKQNZRJWZMOPCL-IUUKEHGRSA-N 382.370 4.884 10 1 GJCF CCOc1cc(N2CCC(Nc3nc4ccccc4s3)CC2)ccc1OC 49017754 DOBACNIZOIMDCY-UHFFFAOYSA-N 383.517 4.785 10 1 GJCF in-vitro CSc1cccc(-n2c(C)cc(-c3csc(-c4cnc[nH]c4=N)n3)c2C)c1 587924063 BQSMYMMJECFWGL-UHFFFAOYSA-N 393.541 4.809 10 1 GJCF CCOc1ccccc1OCc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587780341 QKAVFAOATATQEC-UHFFFAOYSA-N 375.428 4.915 10 1 GJCF COc1ccc(Cl)cc1Nc1nc2c(s1)CCCc1nc(N)sc1-2 142171975 DXGPFGKZXAXBEA-UHFFFAOYSA-N 378.910 4.743 10 1 GJCF CN(C)c1ccc(N=Nc2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)cc1 587194786 BAEDEXBNBJIKEK-UHFFFAOYSA-N 384.443 4.810 10 1 GJCF Brc1ccc(C2=NN[C@H](c3ccc(N4CCCCC4)cc3)C2)s1 103223531 YHJIYRBAMWHNAX-HNNXBMFYSA-N 390.350 4.940 10 1 GJCF Cc1cccc(-c2cc(C(=O)Nc3ccc(N)cc3)n(-c3ccc(N)cc3)n2)c1C 73224396 AQLRYQWBQKXTHV-UHFFFAOYSA-N 397.482 4.573 10 1 GJCF Oc1c(CN2CCCC2)cc(Cn2ccc3ccc(F)cc32)c2cccnc12 1857759394 HMWVRIXHBFWYRV-UHFFFAOYSA-N 375.447 4.678 10 1 GJCF CCC(=O)N1c2ccccc2N=C2CCCC(=O)[C@H]2[C@@H]1c1ccc(N(C)C)cc1 18209003 ARCASDKSEGBXHN-ZEQRLZLVSA-N 389.499 4.692 10 1 GJCF O=C(NC1CC1)c1c(-c2ccccc2)oc2ccc(O)c(CN3CCCCC3)c12 1772610300 PBYUAFQRPHHXQF-UHFFFAOYSA-N 390.483 4.684 10 1 GJCF CC(=O)C[C@@H](C)c1ccc(OC2CN(c3ccc(OCC4CC4)cc3)C2)cc1 96172848 IAORIVMDRIWJDE-QGZVFWFLSA-N 379.500 4.826 10 1 GJCF CCCCc1ncc(/C=C(\Cc2cccs2)C(=O)O)n1Cc1ccccc1O 13821568 PWMNZOGVWNVWID-SFQUDFHCSA-N 396.512 4.752 10 1 GJCF COc1ccc2oc(=O)c(-c3csc(/N=N/Cc4ccccc4O)n3)cc2c1 169719163 HOTYRTLHWJNMQR-XTQSDGFTSA-N 393.424 4.915 10 1 GJCF Cc1cc(CN2CCC3(CC2)OCCc2sccc23)c(C)n1-c1ccccn1 1857765346 PRUZKNSDUCOGQL-UHFFFAOYSA-N 393.556 4.615 10 1 GJCF O=C(C(=O)c1ccccc1C(=O)N1CCCCC1)c1ccc(Cl)cc1Cl 40564786 OJZRRGUDKDXOKI-UHFFFAOYSA-N 390.266 4.685 10 1 GJCF Nc1ccc(Cl)c(NC2=NC(=O)/C(=C/c3ccc4ncccc4c3)S2)c1 168200674 NCUXQKKLXYTAQV-MFOYZWKCSA-N 380.860 4.553 10 1 GJCF Cc1ccc([C@H]2CC(c3cc(Cl)ccc3O)=NN2C(=O)c2ccco2)cc1 299840262 WNTQDUCVTGWJKH-GOSISDBHSA-N 380.831 4.939 10 1 GJCF Cc1cc(O)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C 587822264 MMTGROMVZWAKQI-BLVKFPJESA-N 378.285 4.708 10 1 GJCF CC(C)(C)c1cc([C@]2(c3ccccc3)NCCc3ccc(O)cc32)c(O)cc1O 963351591 HEBGDQQXHIGCTC-RUZDIDTESA-N 389.495 4.539 10 1 GJCF COc1ccc(-c2nc(/C=C3/C(=O)N(C)c4ccccc43)c3ccccn23)cc1 72107155 SRQQSOJCAJMKFP-XDJHFCHBSA-N 381.435 4.527 10 1 GJCF CCOC(=O)[C@@]1(C)C(N=Nc2ccc(Cl)cc2)=C(O)C(=O)N1c1ccccc1 253982869 JAYBTYFNAXCBKH-HXUWFJFHSA-N 399.834 4.562 10 1 GJCF CCN(C)c1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587742694 SWXFOIGNXDDIHJ-RBZFPXEDSA-N 391.328 4.842 10 1 GJCF CCn1c(SCC(=O)/N=N/c2c(O)[nH]c3ccccc23)nc2ccccc21 13583674 AFUXHFILVWPRCB-GHVJWSGMSA-N 379.445 4.646 10 1 GJCF Cc1cnc(SC[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587609728 DBYOHWKYOHPXAH-UZLBHIALSA-N 399.493 4.670 10 1 GJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(Cl)c2O)N1 587691825 IREMTKMDODUOEE-XLFHBGCDSA-N 384.676 4.745 10 1 GJCF Cc1cc(C)cc(OCc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c1 587564574 LJBGSXPEBSWUFA-UHFFFAOYSA-N 382.419 4.534 10 1 GJCF COc1ccc(NCc2oc3c(c2C)C(=O)C(=O)c2cc(C)c(C)cc2-3)cc1 1857632975 YYVWCGKKGUOPBB-UHFFFAOYSA-N 375.424 4.872 10 1 GJCF Cc1c(C)c2c(c(-c3cc(-c4ccc(O)c(O)c4)on3)c1O)CCC(C)(C)O2 49807974 NDCPPPNJSVVGAC-UHFFFAOYSA-N 381.428 4.846 10 1 GJCF CCN(C)c1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587742471 RNRCPXDTLYBNEM-HXPMCKFVSA-N 377.301 4.668 10 1 GJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(F)cc(F)c3[nH]1)[C@H]1CC=C[C@@H]21 587277212 QSASEHJYANCLNA-VBHSOAQHSA-N 382.370 4.884 10 1 GJCF CC[C@@H](C)Oc1ccc(N2CC[C@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)cc1 1772575312 RVIJMAAMJXVXFD-YTZAWJCFSA-N 396.531 4.719 10 1 GJCF Cc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1C 587820922 GCHKJIVFFKQOJO-JEOXALJRSA-N 378.285 4.708 10 1 GJCF CN(C)Cc1c(O)ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1O 587103060 DEQZPVZRDONSME-UHFFFAOYSA-N 396.446 4.586 10 1 GJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(O)cccc2Cl)N1 587692068 JNHHKULOXLYLHB-HUTHGQBESA-N 384.676 4.745 10 1 GJCF Cc1cc2c(n1-c1cc3cnccc3c(Br)n1)CC(C)(C)CC2=O 587942365 WMAUVHZGZMSMND-UHFFFAOYSA-N 384.277 4.647 10 1 GJCF COc1cccc2nc3ccccc3c(Nc3ccc(NS(C)(=O)=O)cc3)c12 5138643 KZIJQMWWCAEEKK-UHFFFAOYSA-N 393.468 4.512 10 1 GJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)cc(F)c2O)N1 587720600 NPOTWQKKEKULBZ-KWKYVRJSSA-N 388.639 4.710 10 1 GJCF Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1N(C)C 587751929 BYBKXZXCWLQCJS-BLVKFPJESA-N 377.301 4.586 10 1 GJCF CCCOc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587798795 ZJLARVWEYFCNAO-JEOXALJRSA-N 394.284 4.706 10 1 GJCF COc1cc2c3c(c1)O[C@@H](c1cc(C)n(-c4ccccc4OC)c1C)[C@@H](C2)C3=O 587431960 RYCCIUSUMLDNPY-UUOWRZLLSA-N 389.451 4.600 10 1 GJCF COc1cccc2c(-c3ccc4c(c3O)[C@H](C)N[C@@H](C)C4)c(O)cc(OC)c12 2356709322 YLKXTMUWAMSTTA-STQMWFEESA-N 379.456 4.530 10 1 GJCF CCOP(=O)(OCC)[C@H](Nc1ccc([N+](=O)[O-])cc1)c1ccccc1O 34329827 JRPHNJVUIYVFFF-KRWDZBQOSA-N 380.337 4.677 10 1 GJCF CC1CCN(Cc2cc(COCc3ccccc3)c3cccnc3c2O)CC1 27570030 JCECKCZJIFVKHW-UHFFFAOYSA-N 376.500 4.889 10 1 GJCF O=C1c2ccccc2C(=O)c2c1ccc1nc(CCCCc3cccc(O)c3)[nH]c21 586896542 SZTLTAKUFNVGMM-UHFFFAOYSA-N 396.446 4.609 10 1 GJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Cl)ccc2O)N1 587703614 RDQZROHCYHIYMN-XYZCENFISA-N 384.676 4.745 10 1 GJCF Cc1cc([C@@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)c(C)n1-c1ccc(Cl)cc1 962901652 RNDROXVVQDFYTM-FPOVZHCZSA-N 398.865 4.575 10 1 GJCF COc1ccc(OC)c(-c2ccc(O)c(CNCCc3ccc(F)cc3)c2)c1 45322863 JRCOJDMRVCEVMT-UHFFFAOYSA-N 381.447 4.548 10 1 GJCF COc1ccc(Cn2c3c(c4cc(C)ccc4c2=O)C(=O)c2ccccc2-3)cc1 28955789 PODAFGXNEUZEHG-UHFFFAOYSA-N 381.431 4.578 10 1 GJCF C[n+]1c(C=Cc2c[nH]c3ccccc23)cc(NCCN2CCCC2)c2ccccc21 1857587112 WCGPFXHTNVTXRL-UHFFFAOYSA-O 397.546 4.824 10 1 GJCF CC(C)N(c1cc2c(cc1Cl)C=C(C(=O)O)[C@H](C(F)(F)F)O2)C(C)C 66252596 YOHLWAAJAOZBKF-OAHLLOKOSA-N 377.790 4.755 10 1 GJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Cl)ccc2O)N1 587695427 BFUWNGJMXTXUNI-XLFHBGCDSA-N 384.676 4.745 10 1 GJCF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(O)c(CN3CCCCCC3)c1)O2 587401663 VWXMKJXQNSPVIW-XMMPIXPASA-N 394.515 4.539 10 1 GJCF COc1cc2c3c(c1)O[C@H](c1cc(C)n(-c4cccc(F)c4)c1C)[C@@H](C2)C3=O 587429839 XIRBQANMIBLMHM-WMZHIEFXSA-N 377.415 4.731 10 1 GJCF COc1ccc(-n2c(C)cc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2C)cc1 587431390 OJAVBBKXQGYXBB-HYBUGGRVSA-N 389.451 4.600 10 1 GJCF CN(C)C(=O)/C=C/c1ccc(N2CCc3cc(O)ccc3[C@@H]2c2ccccc2)cc1 26653902 WJZVLVHBFUHGTK-JFKODZOBSA-N 398.506 4.646 10 1 GJCF COc1cc(OC)c(OC)cc1C/N=N/c1ncnc2c1[nH]c1ccc(C)cc12 169688571 CXGMFUXGXCKQKJ-SHHOIMCASA-N 391.431 4.729 10 1 GJCF CCN(C)c1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587742888 USECBRITHZXJLL-ZUOKHONESA-N 391.328 4.842 10 1 GJCF COc1ccc2c(c1)[C@]1(Cc3ccccc3)CCN(C)[C@H]1N2Cc1ccccc1 40845556 DPNSCHBYEBLOPZ-IZZNHLLZSA-N 384.523 4.858 10 1 GJCF COc1ccc([C@@H]2CN(c3c(C)c(C)c4c(c3C)CC(C)(C)O4)CCO2)cc1 114330813 MKVVZDPDMCNRAV-NRFANRHFSA-N 381.516 4.912 10 1 GJCF CCCCCCc1cc2c(C)cc3c(c2oc1=O)C(=O)c1c(O)cccc1C3=O 473086017 ZZZIZYDLRROFQT-UHFFFAOYSA-N 390.435 4.705 10 1 GJCF Oc1ccc([C@H]2CC(c3ccccc3O)=NN2c2ccc(Cl)cc2)cc1O 299828316 IXICFJXYRFZSLI-GOSISDBHSA-N 380.831 4.813 10 1 GJCF CCCC[C@H](C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)cccc1C3=O 2356341178 HYSGISFYJYNMBF-LBPRGKRZSA-N 390.435 4.876 10 1 GJCF COc1cc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@@H]43)[nH]c2cc1F 587275813 GTOYKJDEWJUMCC-KQHSUYLTSA-N 394.406 4.754 10 1 GJCF Nc1ccc(OC(=O)C2CCN(C3(c4ccccc4)CCCCC3)CC2)cc1 27554462 WPUJKYZPKQCSLT-UHFFFAOYSA-N 378.516 4.746 10 1 GJCF COc1ccc([C@@H]2CC(c3ccccc3O)=NN2C(=O)Oc2ccccc2)cc1 96937646 RNCGDYFDZJIQTQ-NRFANRHFSA-N 388.423 4.751 10 1 GJCF Nc1ccc(Oc2ccc3nc(Cc4cc(F)cc5c4OCOC5)[nH]c3c2)cc1 587171228 JTPCAFWVRBUYJO-UHFFFAOYSA-N 391.402 4.534 10 1 GJCF COc1ccc(C/N=N/c2ncnc3c2[nH]c2ccc(C)cc23)c(OC)c1OC 169688616 YLQNCHKQRDKJPF-SHHOIMCASA-N 391.431 4.729 10 1 GJCF COc1cccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@H]43)[nH]c12 587276639 NIRNLOGKENGXOT-PJIJBLCYSA-N 376.416 4.615 10 1 GJCF Cc1cc(C)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587823874 WZQPOSCRHLPTKT-BLVKFPJESA-N 378.285 4.708 10 1 GJCF Nc1ccc(C2=NN[C@@H](c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)C2)cc1 73240397 BAAIPVMZKKJOQM-HSZRJFAPSA-N 397.457 4.699 10 1 GJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(O)cccc2Cl)N1 587694173 OPLXORZNFMZASA-HUTHGQBESA-N 384.676 4.745 10 1 GJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)cc(Cl)c2O)N1 587725767 FWQXVWCBNWIJJC-ZIDLFYJRSA-N 388.639 4.710 10 1 GJCF CC(=O)C[C@@H](C)c1ccc(OC2CN(c3ccc(OC4CC4)cc3C)C2)cc1 96172877 WQGUSGKYLWZBEB-MRXNPFEDSA-N 379.500 4.886 10 1 GJCF COc1ccc(/C=C2/C(=O)N(c3ccc(Cl)cc3)N=C2C)c(Cl)c1OC 1857656262 CJAZGZYZHPEPEG-XNTDXEJSSA-N 391.254 4.817 10 1 GJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(Cl)c2O)N1 587691824 IREMTKMDODUOEE-VVVCHXIZSA-N 384.676 4.745 10 1 GJCF COc1cccc([C@H](C)Cc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c1 587930449 IGKPNPDWBSCOAS-CQSZACIVSA-N 396.446 4.693 10 1 GJCF CCC(=O)N[C@@H](C)Cc1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1 149637566 TWPOTZBFBFUWAA-SFHVURJKSA-N 392.543 4.536 10 1 GJCF Brc1cccc(OCCCn2c3c(c4ccccc42)CCNC3)c1 1857614401 LGSCHGQQEVCEMD-UHFFFAOYSA-N 385.305 4.519 10 1 GJCF CCCCCN(Cc1cc(OC)c(OC)c(OC)c1)c1ccc(OC)c(O)c1 27759733 LEWKBAICZPEGSG-UHFFFAOYSA-N 389.492 4.623 10 1 GJCF CC1(C)O[C@H]2c3ccccc3C(=O)C(=O)[C@@H]2[C@@H]1Nc1ccc(Cl)c(Cl)c1 45316722 QVEMLFNIOZASOI-SNRMKQJTSA-N 390.266 4.706 10 1 GJCF Cc1ccc2ccc([C@H](Nc3ncccn3)c3ccc(F)cc3F)c(O)c2n1 1772631987 KQXNRGCOVOXOLW-LJQANCHMSA-N 378.382 4.519 10 1 GJCF C[C@@H](COC(=O)c1cc(NCc2cc(O)ccc2O)ccc1O)CC(C)(C)C 1538056 HVEMMWIZVGSFPL-CQSZACIVSA-N 387.476 4.645 10 1 GJCF COc1cc(C)cc2c(-c3c(O)cc(O)c4c3C[C@H](C)N(C)[C@@H]4C)ccc(O)c12 3811682 GWJJRDKEDFSIDL-UONOGXRCSA-N 393.483 4.878 10 1 GJCF biogenic CCN1CCc2cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc21 587768008 SLXIDNCAPZEHIY-YUNKPMOVSA-N 389.312 4.594 10 1 GJCF Cc1c(C)c(O)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1O 587823565 UYMGRPGTTXPTRW-RBHXEPJQSA-N 394.284 4.548 10 1 GJCF Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1nc3cc4c(cc3[nH]1)OCCO4)N2 587077950 CLJZGJUOSKISNW-RDXCRGQUSA-N 379.847 4.814 10 1 GJCF COc1cc(OC)c2c(O)cccc2c1-c1ccc2c(c1O)[C@@H](C)N[C@@H](C)C2 2356708991 KQDGUTUGQTWZAI-QWHCGFSZSA-N 379.456 4.530 10 1 GJCF Nc1ccc(Oc2ccc3nc(C[C@H](N)c4ccccc4Cl)[nH]c3c2)cc1 587057647 QHBPHYVGTOVNCV-SFHVURJKSA-N 378.863 4.833 10 1 GJCF Nc1ccc(Oc2ccc3nc([C@H](N)Cc4ccc(O)c(Cl)c4)[nH]c3c2)cc1 587052232 LERRDUXMENYCFR-QGZVFWFLSA-N 394.862 4.539 10 1 GJCF Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1N(C)C 587751930 BYBKXZXCWLQCJS-BUXKBTBVSA-N 377.301 4.586 10 1 GJCF CC(C)c1ccccc1[C@H]1CC(c2ccc(O)cc2)=NN1C(=O)c1cccnc1 1772616673 FYTBWPGEIIEQMR-HSZRJFAPSA-N 385.467 4.902 10 1 GJCF C/C(=C/CC[C@@]1(C)C=Cc2cc(CCc3cccc(O)c3O)ccc2O1)CO 14721675 MYFQBSFOYRALBJ-DLIXZKEOSA-N 380.484 4.766 10 1 GJCF Nc1ccc(Oc2ccc3nc(COc4cc(F)ccc4[N+](=O)[O-])[nH]c3c2)cc1 587158785 IWAGAWHSZDNXKJ-UHFFFAOYSA-N 394.362 4.564 10 1 GJCF CC(=O)c1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@H]43)[nH]c2c1 587276116 JHYFVCSBMOUYCO-GCKMJXCFSA-N 388.427 4.809 10 1 GJCF COc1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@@H]43)[nH]c2c1 587276863 OHQRXKHYUCGCCL-AUSJPIAWSA-N 376.416 4.615 10 1 GJCF CCOC(=O)CCc1ccc(-c2ccc(OC)cc2)n1-c1ccc(OC)cc1C 84603138 PDYNTHPLTUCIKD-UHFFFAOYSA-N 393.483 4.966 10 1 GJCF COc1cccc(OC)c1[C@@H]1CCCC(=O)N1Cc1ccc(N2CCCC2)cc1 167769862 BQIQZZPODIQMRY-FQEVSTJZSA-N 394.515 4.558 10 1 GJCF COc1cc2c(c(O)c1-c1ccc(O)c3c(OC)cc(C)cc13)[C@H](C)N[C@@H](C)C2 13359092 XVUNMUYOQXRZLI-KBPBESRZSA-N 393.483 4.839 10 1 GJCF biogenic O=C1c2ccccc2C(=O)c2c1ccc1[nH]c(-c3ccc(Cl)c(Cl)n3)nc21 587083958 FHAVUHQQYIPKTE-UHFFFAOYSA-N 394.217 4.707 10 1 GJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(F)cc(F)c3[nH]1)[C@@H]1CC=C[C@@H]21 587277213 QSASEHJYANCLNA-VFVRVIDISA-N 382.370 4.884 10 1 GJCF Cc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1C 587820445 DDYXMGFCRHJRJY-JEOXALJRSA-N 378.285 4.708 10 1 GJCF O=C1c2ccccc2C(=O)c2c1ccc1nc(C[C@@H]3C[C@H]3c3ccccc3)[nH]c21 587959943 JDHDXHDLTMBDQR-KXBFYZLASA-N 378.431 4.685 10 1 GJCF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)n(-c3cccc([N+](=O)[O-])c3)c1C)O2 587389613 LXPAKUMHRXUFRV-NRFANRHFSA-N 391.427 4.599 10 1 GJCF Cc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1C 587820926 GCHKJIVFFKQOJO-WLRWDXFRSA-N 378.285 4.708 10 1 GJCF O=[N+]([O-])c1cnc(Sc2nnc(-c3cccs3)n2-c2ccccc2)s1 40395662 XIQOUBVQPJUQLC-UHFFFAOYSA-N 387.471 4.512 10 1 GJCF O=S(=O)(Nc1ccccn1)c1ccc(/N=N/c2ccc(O)c(Cl)c2)cc1 103278213 XNYCWWRRJOIVBY-QZQOTICOSA-N 388.836 4.657 10 1 GJCF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(-n3c(C)cc(C=O)c3C)c1)O2 587391301 UHBHPZXVDIQPDE-DEOSSOPVSA-N 388.467 4.678 10 1 GJCF O=C1c2ccccc2C(=O)c2cc3oc(SCCc4ccccc4)nc3cc21 299827766 PCXKUFHCPAAUOB-UHFFFAOYSA-N 385.444 4.938 10 1 GJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(c2)CCCN3C)N1 587764059 BQYZVLWVOURHPV-MPBGBICISA-N 389.312 4.594 10 1 GJCF CCOc1cc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)ccc1C 587778461 NKEWNJNIXSTCFQ-UHFFFAOYSA-N 382.419 4.712 10 1 GJCF Oc1cccc(NC(=S)/N=N/c2c(O)[nH]c3ccc(Br)cc23)c1 101863690 VASNXSMZMUNJDG-FMQUCBEESA-N 391.250 4.822 10 1 GJCF COc1ccc(-c2c(O)cc(O)c3c2C[C@H](C)N[C@H]3C)c2cc(C)cc(OC)c12 592682 PLLKZICNVDBVIE-KBPBESRZSA-N 393.483 4.839 10 1 GJCF biogenic C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)cc(Cl)c2O)N1 587730688 XMQOFHFMNNZWAK-KWKYVRJSSA-N 388.639 4.710 10 1 GJCF Cc1cc(-c2csc([C@@H](C)Cn3cncn3)n2)c(C)n1-c1ccccc1F 587921888 FDCCMWPJHSIHDD-ZDUSSCGKSA-N 381.480 4.752 10 1 GJCF Cc1ccc(-c2nc(/C=C3/C(=O)N(C)c4ccc(F)cc43)c3ccccn23)cc1 72109888 ZCQYZGYOUIPILS-XMHGGMMESA-N 383.426 4.966 10 1 GJCF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(O)c(CN3CCCCCC3)c1)O2 587401662 VWXMKJXQNSPVIW-DEOSSOPVSA-N 394.515 4.539 10 1 GJCF COc1cccc(C2=N[C@@H](c3ccccc3OC)N[C@H](c3ccccc3O)C2)c1 53363351 WZSLVMPTHWXTHR-XUZZJYLKSA-N 388.467 4.632 10 1 GJCF CC(=O)C[C@H](C)c1ccc(OC2CN(c3ccc(OC4CCC4)cc3)C2)cc1 96172829 YULSDVSSSYWXQP-KRWDZBQOSA-N 379.500 4.968 10 1 GJCF CC(C)=CCc1c2c(c(O)c3c(=O)c4cc(O)c(O)cc4oc13)C(C)(C)[C@@H](C)O2 13411995 PLLOTPLQTBKOBW-LLVKDONJSA-N 396.439 4.630 10 1 GJCF biogenic COc1ccc(N(Cc2ccc([N+](=O)[O-])cc2)Cc2ccccc2OC)cc1 28864038 LABZXKLWXJYUNT-UHFFFAOYSA-N 378.428 4.819 10 1 GJCF Cc1cc(Cl)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O 587695446 JWLQPTHYKVGGTN-FVMDXXJSSA-N 384.676 4.879 10 1 GJCF CC1=CC(C)=[N+]2C1=C(c1ccc([N+](C)(C)C)cc1)c1c(C)cc(C)n1[B-]2(F)F 224821589 MIVIIPMMMLFBBT-UHFFFAOYSA-N 382.287 4.731 10 1 GJCF Cc1cc(O)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl 587695343 RPPJRDDAIHTICC-XLFHBGCDSA-N 384.676 4.879 10 1 GJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N(C)C)cc2Cl)N1 587695412 NLCLWYJDADLVQA-YPMLDQLKSA-N 397.719 4.931 10 1 GJCF CCC(=O)N[C@H](C)Cc1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1 149637754 TWPOTZBFBFUWAA-GOSISDBHSA-N 392.543 4.536 10 1 GJCF CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)c(F)c1 26935929 ZOLLVTRPCCNHAA-UHFFFAOYSA-N 381.432 4.642 10 1 GJCF COc1cc2c(cc1OC)[C@@](c1ccccc1)(c1ccccc1O)N(C)[C@H](C)C2 962626879 NONUTMRLXDITFC-CRICUBBOSA-N 389.495 4.578 10 1 GJCF COc1cc2c3c(c1)O[C@@H](c1cc(C)n(-c4cccc(F)c4)c1C)[C@@H](C2)C3=O 587429836 XIRBQANMIBLMHM-CVDCTZTESA-N 377.415 4.731 10 1 GJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Cl)cc2O)N1 587693013 BWDLJSHNBVAXBY-XLFHBGCDSA-N 384.676 4.745 10 1 GJCF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2c(O)cc(F)cc2Br)N1 962947469 NLXJUBKUZIXYKR-WYRIXSBYSA-N 389.268 4.789 10 1 GJCF CCCN1[C@H](c2c(C)n(CC(=O)OC)c3ccccc23)c2ccccc2C[C@H]1C 963229633 OMADRZDBXPUIQA-NSYGIPOTSA-N 390.527 4.869 10 1 GJCF COc1cc2c3c(c1)O[C@H](c1cc(C)n(-c4ccc(F)cc4F)c1C)[C@@H](C2)C3=O 587425346 CBWPWWUKRPWKSB-GAJHUEQPSA-N 395.405 4.870 10 1 GJCF COc1cc2c3c(c1)O[C@H](c1cc(C)n(-c4ccccc4F)c1C)[C@@H](C2)C3=O 587426142 LRCGGUVTQSDQKZ-GAJHUEQPSA-N 377.415 4.731 10 1 GJCF CC[C@]1(c2ccc(F)cc2O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587728894 UEXPTORSTNCIJS-XTZNXHDOSA-N 382.248 4.621 10 1 GJCF CCN(C)c1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587742884 USECBRITHZXJLL-RBZFPXEDSA-N 391.328 4.842 10 1 GJCF Nc1c(Br)cccc1-n1c(CCC(=O)O)ccc1-c1ccccc1 587937061 MYTBSETUOMMXTL-UHFFFAOYSA-N 385.261 4.506 10 1 GJCF O=C1c2ccccc2C(=O)c2c1ccc1nc(CCc3cc4ccccc4o3)[nH]c21 586907328 LNEKAXTYDKFFOF-UHFFFAOYSA-N 392.414 4.870 10 1 GJCF CCc1cc(C(=O)/N=N/c2c(O)[nH]c3ccc([N+](=O)[O-])cc23)c2ccccc2n1 13123316 XELOJBOAXDYZJW-WCWDXBQESA-N 389.371 4.816 10 1 GJCF Oc1ccc(-c2ccc3c(c2)OCO3)cc1CNC12CC3CC(CC(C3)C1)C2 14984114 KBRABGUMXFTYRG-UHFFFAOYSA-N 377.484 4.846 10 1 GJCF COc1ccccc1NC1=NC(=O)/C(=C/c2ccc(OC(F)(F)F)cc2)S1 95755395 CZOAWJISGGMLPK-GDNBJRDFSA-N 394.374 4.676 10 1 GJCF Cc1cccc(/N=N/c2c(C)nn(C(=O)CC(=O)Nc3ccccc3)c2C)c1 5541996 KXGQCHXNZPKUFM-WCWDXBQESA-N 375.432 4.893 10 1 GJCF Cc1cccc(-c2cc(CN3CCN(C)CC3)c(C)n2-c2ccc(F)cc2)c1 36471944 REYDRNNSYDKNDO-UHFFFAOYSA-N 377.507 4.648 10 1 GJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](/C=C/c2ccc(N(C)C)cc2)N1 587758547 YAUBCXSYYWOPAB-HFYNXWQOSA-N 389.312 4.943 10 1 GJCF CC[C@@]1(c2cc(C)ccc2O)N[C@H](C)Cc2ccc(F)c(Br)c21 587820853 FYKILHSXKCPKGN-BLVKFPJESA-N 378.285 4.790 10 1 GJCF Cc1cc(C)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587819584 BGGOQLZJFHFSDJ-BLVKFPJESA-N 378.285 4.708 10 1 GJCF Oc1ccc2oc(Cc3ccccc3)cc2c1CN1CCC(N2CCCC2)CC1 103262354 DMPYJCOSQLHIRO-UHFFFAOYSA-N 390.527 4.789 10 1 GJCF Oc1cccc(NC(=S)N=Nc2c(O)[nH]c3ccc(Br)cc23)c1 299813178 VASNXSMZMUNJDG-UHFFFAOYSA-N 391.250 4.822 10 1 GJCF Cc1cc(Cl)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O 587698448 QFEISEXLUKZLCP-FVMDXXJSSA-N 384.676 4.879 10 1 GJCF Cc1cc(C)c([C@H]2CC(c3ccc(O)cc3)=NN2C(=O)c2cccnc2)c(C)c1 1772613120 MFVZAFPNLKEBBT-JOCHJYFZSA-N 385.467 4.704 10 1 GJCF CCC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OC(C)C)cc3)C2)cc1 1772646484 AVVKYZUFLYENKD-FDDCHVKYSA-N 396.531 4.719 10 1 GJCF Cc1c(C)c(O)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1O 587823567 UYMGRPGTTXPTRW-WNWIJWBNSA-N 394.284 4.548 10 1 GJCF c1ccc(-c2cccc3c2[C@@]2(CCc4cc(N5CCOCC5)ccc42)NCC3)cc1 962667853 WERSDJZVKBYZLR-MHZLTWQESA-N 396.534 4.526 10 1 GJCF OCCN(Cc1c(O)ccc2oc(Cc3ccccc3)cc12)C1CCCCC1 103262326 QVBHZDHVPTXNTQ-UHFFFAOYSA-N 379.500 4.856 10 1 GJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Cl)ncc3[nH]1)[C@@H]1CC=C[C@H]21 587272897 XTQPSBQYTJAQES-IUUKEHGRSA-N 381.823 4.654 10 1 GJCF COc1cc(C)cc2c(-c3c(O)cc(O)c4c3C[C@@H](C)N(C)[C@@H]4C)ccc(O)c12 5849005 GWJJRDKEDFSIDL-ZIAGYGMSSA-N 393.483 4.878 10 1 GJCF biogenic C[C@H]1C(=O)[C@H](C)[C@@H](c2cc(Cl)ccc2O)N[C@@H]1c1cc(Cl)ccc1O 169305614 YBLSMVRDZNJMBC-MKXFUORMSA-N 380.271 4.632 10 1 GJCF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(O)cc(F)cc2Br)N1 962947467 NLXJUBKUZIXYKR-NSPYISDASA-N 389.268 4.789 10 1 GJCF Nc1cccc(Br)c1-n1c(CCC(=O)O)ccc1-c1cccs1 587937282 PFONDXLRSPQZFB-UHFFFAOYSA-N 391.290 4.568 10 1 GJCF CN(C)/C=C/c1nc(-c2ccc(Cl)cc2)cc2c1C(=O)c1ccccc1C2=O 96934762 AOZLFLWUUIYCOL-VAWYXSNFSA-N 388.854 4.710 10 1 GJCF COc1ccc(-n2cc(-c3ccccc3)c3c2C(=O)c2ccccc2C3=O)cc1 1857635140 JFWKFVBCKCSFLX-UHFFFAOYSA-N 379.415 4.928 10 1 GJCF Oc1ccc(C2=NN(c3ccccc3)[C@H](c3noc(-c4ccc(O)cc4)n3)C2)cc1 96911227 XQLTWKMRFZVPEK-NRFANRHFSA-N 398.422 4.504 10 1 GJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(Cl)ccnc3[nH]1)[C@@H]1CC=C[C@@H]21 587271442 CFJVWWHZRIANMI-HSMVNMDESA-N 381.823 4.654 10 1 GJCF CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1cc(Br)ccc1O 95559198 PJEDOIISLYAPKS-INIZCTEOSA-N 393.668 4.506 10 1 GJCF O=C(Cc1ccccc1)N[C@H](c1ccco1)c1cc(Cl)c2cccnc2c1O 890449 GEMUFCURVXNVJY-FQEVSTJZSA-N 392.842 4.635 10 1 GJCF COc1cc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@H]43)[nH]c2cc1F 587275814 GTOYKJDEWJUMCC-MRRFBWAASA-N 394.406 4.754 10 1 GJCF CCOC(=O)[C@]1(C)C(/N=N/c2ccc(Cl)cc2)=C(O)C(=O)N1c1ccccc1 101532404 JAYBTYFNAXCBKH-UTTYWZDOSA-N 399.834 4.562 10 1 GJCF Cc1c(-c2nc3cc(Oc4ccc(N)cc4)ccc3[nH]2)oc2c1[C@H](O)CCC2 586905417 NYPFRKYKFXJVJP-GOSISDBHSA-N 375.428 4.876 10 1 GJCF O=C(c1ccncc1)N1N=C(c2cc3ccccc3o2)C[C@@H]1c1ccccc1O 64564413 CZBMJIYJYWOCGQ-LJQANCHMSA-N 383.407 4.525 10 1 GJCF COc1ccc([C@H]2Sc3ccccc3-n3c(CN(C)C)ccc32)c(OC)c1 13651946 ICMCIDYUTSXGGO-JOCHJYFZSA-N 380.513 4.751 10 1 GJCF CC(C)=CCc1c2c(c(O)c3c(=O)c4ccc(O)c(O)c4oc13)C=CC(C)(C)O2 14768876 UXGOBHOKJVVTDU-UHFFFAOYSA-N 394.423 4.756 10 1 GJCF biogenic,in-vitro C[C@H]1C(=O)[C@H](C)[C@H](c2cc(Cl)ccc2O)N[C@@H]1c1cc(Cl)ccc1O 15962802 YBLSMVRDZNJMBC-BLPKXUGASA-N 380.271 4.632 10 1 GJCF CCN1/C(=C/C(N)=C/c2sc3ccccc3[n+]2CC)Sc2ccccc21 28523201 JLUIABTZKFGEHA-MOSHPQCFSA-O 380.562 4.982 10 1 GJCF CCN(CC)CCOc1cc2oc3c(c2cc1Cl)C(=O)c1ccccc1C3=O 28713985 BCMADBQOTMOCHO-UHFFFAOYSA-N 397.858 4.582 10 1 GJCF Cc1ccc(-n2c(-c3ccc(F)cc3)cc(CN3CCN(C)CC3)c2C)cc1 36471725 NDTRNHRHSYBCBH-UHFFFAOYSA-N 377.507 4.648 10 1 GJCF CC(C)N(c1cc2c(cc1Cl)C=C(C(=O)O)[C@@H](C(F)(F)F)O2)C(C)C 66252597 YOHLWAAJAOZBKF-HNNXBMFYSA-N 377.790 4.755 10 1 GJCF NC[C@H](Cc1ccc(Cl)cc1)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587071240 XUMQFLARHFGCMN-HNNXBMFYSA-N 392.890 4.876 10 1 GJCF COc1cc2c(cc1OC)[C@H](c1c(O)cc(C(F)(F)F)cc1F)N(C)[C@H](C)C2 962638175 OXECNMGPYGPKDS-GIGQVBGESA-N 399.384 4.533 10 1 GJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(c2)CCCN3C)N1 587764058 BQYZVLWVOURHPV-FKIZINRSSA-N 389.312 4.594 10 1 GJCF Oc1ccc(Cl)c(F)c1[C@H]1c2cccc(F)c2CCN1[C@@H]1CCSC1 962720472 UILPIICLIZYIGG-NSPYISDASA-N 381.875 4.777 10 1 GJCF C[C@]1(c2cc(Br)c(F)cc2O)c2c(F)cccc2C[C@H]2CCCN21 963117664 XOWQPLFQSZSQTQ-BLVKFPJESA-N 394.259 4.717 10 1 GJCF COc1ccc(Nc2cc(N(C)C)c3noc4c3c2C(=O)c2ccccc2-4)cc1 1772605058 DHOYOCQSNGBXIS-UHFFFAOYSA-N 385.423 4.857 10 1 GJCF CCCCS[C@H]1c2c(O)cc(OC)c(C)c2C(=O)N1c1ccc(OC)cc1 28950831 NYFROLARBSUFPR-NRFANRHFSA-N 387.501 4.910 10 1 GJCF Cc1cc(/N=N/c2ccc(S(=O)(=O)N(C)c3ccccn3)cc2)cc(C)c1O 103283670 BZNOQPWEFIWTQI-GHVJWSGMSA-N 396.472 4.645 10 1 GJCF CC[C@]1(c2ccc(N(C)C)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587753179 GMFOLAMPARXKEQ-ZUOKHONESA-N 391.328 4.842 10 1 GJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(F)cnc(Cl)c3[nH]1)[C@H]1CC=C[C@H]21 587276604 NCUQJDZZSZBQKT-PGUXBMHVSA-N 399.813 4.794 10 1 GJCF CCCc1ccc([C@H]2CC(c3ccc(O)cc3)=NN2C(=O)c2cccnc2)cc1 1772609389 JTYLEDOQOJVASV-HSZRJFAPSA-N 385.467 4.731 10 1 GJCF Oc1c([C@@H](Nc2ncccn2)c2ccc(F)cc2F)cc(Cl)c2cccnc12 1772652343 JVNXIVUULSOGIF-KRWDZBQOSA-N 398.800 4.864 10 1 GJCF O=C(O)C[C@H]1CCN(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1 1772650863 JBYQAYSTCPBGJS-CYBMUJFWSA-N 380.271 4.873 10 1 GJCF CCO[C@@H]1C[C@H]2C(C)(C)CCC[C@]2(C(=O)OC)c2c1cc(C(C)C)c(O)c2O 1857547197 HYOYOOYYLOFIDU-SAHWJRBASA-N 390.520 4.940 10 1 GJCF COc1ccc(Nc2c3ccccc3nc3ccccc23)c(NS(C)(=O)=O)c1 28011699 MLAGQSAHWFZAOY-UHFFFAOYSA-N 393.468 4.512 10 1 GJCF CCN(CCO)c1ccc(/N=N/c2snc3ccc([N+](=O)[O-])cc23)c(C)c1 100051776 CEYYUMLIVMNONK-FMQUCBEESA-N 385.449 4.747 10 1 GJCF CCCCCCc1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)cccc1C3=O 473082052 FVPQPDRGLDBQRT-UHFFFAOYSA-N 390.435 4.705 10 1 GJCF O=C1c2ccccc2C(=O)c2c1ccc1nc(CSCc3ccsc3)[nH]c21 587025591 LOYSWGWLZZUPQV-UHFFFAOYSA-N 390.489 4.833 10 1 GJCF CC1(C)Cc2c(cnn2-c2ccccc2)C(O)=C1N=NC(=O)c1ccccc1N 254045454 KETANZWADUJHLC-UHFFFAOYSA-N 387.443 4.556 10 1 GJCF Nc1ccc(Oc2ccc3nc(COc4ccc([N+](=O)[O-])c(F)c4)[nH]c3c2)cc1 587148893 MCGABLRRDPNFDX-UHFFFAOYSA-N 394.362 4.564 10 1 GJCF Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1N(C)C 587754814 LCSALCAZRPDBEW-HXPMCKFVSA-N 377.301 4.586 10 1 GJCF Cc1c(F)ccc2c1[C@](CCCCCC(=O)O)(c1ccc(N(C)C)cc1)NCC2 962089324 GNALWQXTTFFENH-DEOSSOPVSA-N 398.522 4.625 10 1 GJCF Fc1ccc(C[n+]2ccc(CCNc3nc4ccc(F)cc4s3)cc2)cc1 1772657146 DEFMHIPKLZXSIY-UHFFFAOYSA-N 382.459 4.565 10 1 GJCF CCC/C(=C1/SC(=S)N([C@@H](CC(C)C)C(=O)O)C1=O)c1ccccc1 28714324 LTESOAGUHITHPM-RIBQPWQFSA-N 377.531 4.557 10 1 GJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(C)cnc(Cl)c3[nH]1)[C@H]1CC=C[C@@H]21 587272567 VLABGTTZZRIQLO-IGCXYCKISA-N 395.850 4.963 10 1 GJCF COc1ccc(Nc2nccc3c2cc(-c2ccc(N(C)C)cc2)n3C)cc1O 205221642 PQBWAXSRQMDMSV-UHFFFAOYSA-N 388.471 4.764 10 3 GJCF CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@H]1/N=N\c1cccc(O)c1 17414003 PNRJHXQNMQTJEC-KYAFNBKBSA-N 391.456 4.699 10 1 GJCF CN1CCN(c2ccc(OCc3ccccc3)c(NCc3ccccc3)c2)CC1 53206518 KGACXFRDNFTJOU-UHFFFAOYSA-N 387.527 4.630 10 1 GJCF O=C1c2ccccc2C(=O)c2c1ccc1nc([C@@H]3C[C@H]3c3cccc(F)c3)[nH]c21 587162719 YNMVESBMGQTTIH-ZWKOTPCHSA-N 382.394 4.749 10 1 GJCF COc1cc2c3c(c1)O[C@H](c1cc(C)n(-c4ccc(F)cc4)c1C)[C@@H](C2)C3=O 587428438 NAPZKEDWOQNZAN-WMZHIEFXSA-N 377.415 4.731 10 1 GJCF O=C1c2ccccc2C(=O)c2c1ccc1[nH]c(-c3ccc(OC(F)F)cc3)nc21 587130658 NMRHYNJEJVAVTR-UHFFFAOYSA-N 390.345 4.607 10 1 GJCF CCc1cc(Nc2cc[n+]([O-])c3cc(Cl)ccc23)cc(CN(CC)CC)c1O 28014139 PXFPNBRXSYRPIG-UHFFFAOYSA-N 399.922 4.980 10 1 GJCF COC(=O)c1cc(C[C@]2(C)[C@@H](C)CC[C@]3(C)C(C)=CCC[C@H]32)c(O)c(O)c1O 210995077 YGSUREOWDQUWGU-VITDHJIUSA-N 388.504 4.931 10 1 GJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(F)c(F)c3[nH]1)[C@H]1CC=C[C@H]21 587277122 PKQNZRJWZMOPCL-PZROIBLQSA-N 382.370 4.884 10 1 GJCF Nc1cccc(Br)c1-n1c(CCC(=O)O)ccc1-c1ccccc1 587936253 HQKPFDCCDBMTDD-UHFFFAOYSA-N 385.261 4.506 10 1 GJCF CC[C@]1(c2cccc(Cl)c2O)c2cc(OC)c(OC)cc2C[C@@H](C)N1C 962626996 KHUJCFPYFPTFTH-ASSNKEHSSA-N 375.896 4.593 10 1 GJCF Cc1cc(C2=NN(C(=O)c3ccncc3)[C@@H](c3ccccc3Cl)C2)ccc1O 34849776 YPZLOOKKEJBNRR-HXUWFJFHSA-N 391.858 4.741 10 1 GJCF CS(=O)(=O)Nc1cccc(C=C2c3ccccc3CCc3ccccc32)c1 103264136 WLMLZKXAEFRSCP-UHFFFAOYSA-N 375.493 4.746 10 1 GJCF Cc1ccc(O)c([C@H]2c3ccc4c(c3CCN2C(=O)OC(C)(C)C)NCCC4)c1 961779708 UZWMSCAIBKUJTP-JOCHJYFZSA-N 394.515 4.941 10 1 GJCF CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@H](CN=[N+]=[N-])CC3=O 45283665 XYBNRSIFLQDUIX-LBPRGKRZSA-N 395.415 4.574 10 1 GJCF Cc1ccc(/C=C/c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1F 587146386 KECKJMCCEBPEEY-DHZHZOJOSA-N 382.394 4.956 10 1 GJCF CC(C)=CCc1c2c(c3oc4c(O)c(O)ccc4c(=O)c3c1O)C(C)(C)[C@H](C)O2 15217408 PHPWEGWMDCOEKL-NSHDSACASA-N 396.439 4.630 10 1 GJCF biogenic O=C1c2ccccc2C(=O)c2c1ccc1nc([C@H]3C[C@@H]3c3cccc(F)c3)[nH]c21 587162711 YNMVESBMGQTTIH-MSOLQXFVSA-N 382.394 4.749 10 1 GJCF Cc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1C 587820924 GCHKJIVFFKQOJO-NSPYISDASA-N 378.285 4.708 10 1 GJCF CCN(C)c1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587742714 SWXFOIGNXDDIHJ-XCLFUZPHSA-N 391.328 4.842 10 1 GJCF CC[C@@]1(c2cc(C)ccc2O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587820855 FYKILHSXKCPKGN-BUXKBTBVSA-N 378.285 4.790 10 1 GJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](/C=C/c2ccc(N(C)C)cc2)N1 587753716 HXYDRONMFBNFGS-LFUMKSLISA-N 389.312 4.943 10 1 GJCF C[C@@]1(c2cc(Br)c(F)cc2O)c2c(F)cccc2C[C@H]2CCCN21 963117689 XOWQPLFQSZSQTQ-CWTRNNRKSA-N 394.259 4.717 10 1 GJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N(C)C)cc2Cl)N1 587695406 NLCLWYJDADLVQA-MGNBDDOMSA-N 397.719 4.931 10 1 GJCF Oc1c([C@@H](Nc2ncccn2)c2ccc(F)cc2)cc(Cl)c2cccnc12 1772613084 LBFWHGGINDRKHJ-KRWDZBQOSA-N 380.810 4.724 10 1 GJCF COc1ccc(-c2ccc(O)c([C@@H]3c4ccc(F)cc4C[C@H]4CCCN34)c2)cn1 963116456 XJHAOWJRPNCVIM-DVECYGJZSA-N 390.458 4.712 10 1 GJCF CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccc(F)cc23)cc1 26841811 VXPWXDYHYZFYRO-UHFFFAOYSA-N 381.432 4.642 10 1 GJCF C/C(=C\CC[C@@]1(C)C=Cc2cc(CCc3cccc(O)c3O)ccc2O1)CO 238736779 MYFQBSFOYRALBJ-VADOKVSRSA-N 380.484 4.766 10 1 GJCF COc1cc(C)cc2c(-c3c(O)cc(O)c4c3C[C@@H](C)N[C@H]4C)c(C)cc(O)c12 2356708470 QWEIHUARSAMIEW-KGLIPLIRSA-N 393.483 4.844 10 1 GJCF COc1ccccc1NC1=NC(=O)/C(=C/c2ccc(-c3cccnc3)cc2)S1 95755394 DBBIERWKLWRVNJ-MOSHPQCFSA-N 387.464 4.840 10 1 GJCF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3cc(Oc4ccc(N)cc4)ccc3[nH]2)cc1 587783790 AJVNUSYSKWNFEV-WOJBJXKFSA-N 399.450 4.881 10 1 GJCF CC=CC[C@@H](C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)cccc1C3=O 2356341783 WSZBMBZQSIQDJS-GFCCVEGCSA-N 388.419 4.652 10 1 GJCF CCN1CCc2cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)ccc21 587769118 XAOGLLVFPVSCOY-ODXCJYRJSA-N 389.312 4.594 10 1 GJCF CC(C)=CCc1c(O)c(O)cc2c(=O)c3c(O)c4c(cc3oc12)O[C@@H](C)C4(C)C 13412048 ZYJVDWWKUSJAQY-NSHDSACASA-N 396.439 4.630 10 1 GJCF biogenic,in-vivo C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(O)ccc(Cl)c2F)N1 587718561 NJNPDCXUKIHERJ-QZTNRIJFSA-N 388.639 4.710 10 1 GJCF COc1ccc(Nc2c3ccccc3nc3ccccc23)cc1NS(C)(=O)=O 26841299 OESODKFSJDSXPY-UHFFFAOYSA-N 393.468 4.512 10 1 GJCF Cc1cc(Cl)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1O 587698445 QFEISEXLUKZLCP-ABKXIKBNSA-N 384.676 4.879 10 1 GJCF Oc1c(CN2CCCC2)cc(Cn2ccc3c(F)cccc32)c2cccnc12 1857646873 WEVIWZIAGQODMT-UHFFFAOYSA-N 375.447 4.678 10 1 GJCF CCCc1c(OCCCCCCc2cccc(O)c2O)ccc(C(=O)O)c1O 2012410 MQSAORRAHSHSTR-UHFFFAOYSA-N 388.460 4.636 10 1 GJCF Oc1cc2c(cc1O)[C@H](Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NCC2 11422321 OXDZNWCUNBBTAP-AWEZNQCLSA-N 391.311 4.565 10 1 GJCF CN(C)C(=O)c1ccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2c1 587077829 AJXLAELQZWFVNJ-MDOVXXIYSA-N 392.890 4.745 10 1 GJCF CCc1nc(N)nc(N)c1-c1ccc(Cl)c(/N=N/N(C)Cc2ccccc2)c1 17994031 UKDLQAKCEIPQIC-CYYJNZCTSA-N 395.898 4.655 10 1 GJCF CSc1cccc(-n2c(C)cc(-c3csc(-c4c[nH][nH]c4=N)n3)c2C)c1 587924326 SADWFRJBRQZNAP-UHFFFAOYSA-N 381.530 4.742 10 1 GJCF Cc1cc2c(c(O)c1Br)C(=O)C(=O)C[C@]1(C)CC[C@@H](C(C)C)[C@H]21 2356418771 VXWUTGGQGOJSKP-CQOVVYFZSA-N 379.294 4.775 10 1 GJCF CC(C)N1CCC2(CC1)N=C(c1ccc(Cl)cc1)C[C@@H](c1ccccc1O)N2 4730075 ROXSSRNSTPRUNX-NRFANRHFSA-N 397.950 4.770 10 1 GJCF O=C(N[C@H](c1ccco1)c1cc(Cl)c2cccnc2c1O)c1ccccc1 72111192 NCZBHATWWRNOGP-SFHVURJKSA-N 378.815 4.706 10 1 GJCF Cc1cccc(Sc2cc3c(c4nsnc24)C(=O)c2ccccc2C3=O)c1 219713743 MMEWXGKEBGMBCO-UHFFFAOYSA-N 388.473 4.926 10 1 GJCF O=C1c2ccccc2C(=O)c2c1ccc1nc(COC/C=C\c3ccccc3)[nH]c21 587781037 OQRKYVHBMIRXJE-TWGQIWQCSA-N 394.430 4.568 10 1 GJCF Cc1cc2c(c(O)c1Br)C(=O)C(=O)C[C@]1(C)CC[C@@H](C(C)C)[C@@H]21 2356418773 VXWUTGGQGOJSKP-LLJZQGTPSA-N 379.294 4.775 10 1 GJCF CC(C)=CCc1c(O)c(O)c2c(c1CC=C(C)C)C(=O)[C@H]1C(O)=CC=C(O)[C@H]1O2 2356751197 OJFHQRYJPSDSRE-XMSQKQJNSA-N 398.455 4.573 10 1 GJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(c2)C[C@@H](C)N3C)N1 587761224 OOQGOADLVGHQMP-HTGLOVNISA-N 389.312 4.593 10 1 GJCF Cc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1C 587820451 DDYXMGFCRHJRJY-WLRWDXFRSA-N 378.285 4.708 10 1 GJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc([N+](=O)[O-])c3[nH]1)[C@H]1CC=C[C@H]21 587276407 LDNKXOKFYPEXAP-LXIYXOSZSA-N 391.387 4.514 10 1 GJCF COc1cc2c(c(O)c1-c1ccc(O)c3c(OC)cc(C)cc13)[C@@H](C)N[C@@H](C)C2 13359095 XVUNMUYOQXRZLI-UONOGXRCSA-N 393.483 4.839 10 1 GJCF biogenic Cn1nc(C(=O)c2ccccc2NCc2ccc3ncccc3c2)c2ccccc21 40878682 AHBZVSVKTQVIFO-UHFFFAOYSA-N 392.462 4.965 10 1 GJCF COc1ccc(N2CCN([C@@H](Cc3cccc(O)c3)c3ccccc3)CC2)cc1 29469701 RLRDELQGJIIIHQ-VWLOTQADSA-N 388.511 4.507 10 1 GJCF Cc1ccc(Sc2cc3c(c4nsnc24)C(=O)c2ccccc2C3=O)cc1 219741418 XVFUXPFVTJASIZ-UHFFFAOYSA-N 388.473 4.926 10 1 GJCF Nc1ccc(N2CCN3C[C@@H]2CC[C@@H]3C(c2ccccc2)c2ccccc2)cc1 28460280 PTIQIHWOJDNCHH-LOSJGSFVSA-N 383.539 4.754 10 1 GJCF CN(C)c1ccc(N=Nc2ccc(-c3nc4nc(=N)[nH]c(Cl)c4[nH]3)cc2)cc1 587196317 SNYPGVKXSGRWPR-UHFFFAOYSA-N 392.854 4.567 10 1 GJCF O=C1c2c(c3ccccc3n2Cc2cccc(O)c2)CCN1Cc1ccccc1 653821689 POISRMBLPZYKQJ-UHFFFAOYSA-N 382.463 4.594 10 1 GJCF Nc1ccc(Oc2ccc3nc(-c4ncc(Br)cc4F)[nH]c3c2)cc1 587157221 JEYPOSPTCIRHDO-UHFFFAOYSA-N 399.223 4.901 10 1 GJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)cc(F)c2O)N1 587716856 FBFLOOJHOGLXFR-MLXNANBUSA-N 388.639 4.710 10 1 GJCF CN1c2ccccc2C(=O)N2CCc3c(n(Cc4ccccc4)c4ccccc34)[C@@H]21 64453544 JLZMNPQHVZPOMM-RUZDIDTESA-N 393.490 4.837 10 1 GJCF Cc1cccc(Sc2ccc(/C=C3\SC(=S)NC3=O)cc2[N+](=O)[O-])c1 96174921 BWBOXOWZBUBRLW-DHDCSXOGSA-N 388.495 4.543 10 1 GJCF COc1cc2c(cc1OC)[C@@](c1ccccc1)(c1ccccc1O)N(C)[C@@H](C)C2 962626885 NONUTMRLXDITFC-SSOJOUAXSA-N 389.495 4.578 10 1 GJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)cc(F)c2O)N1 587720606 NPOTWQKKEKULBZ-NZFNHWASSA-N 388.639 4.710 10 1 GJCF CC1=C/C(=C2\C(=O)N(c3ccccc3)N=C2C)OC(=O)N1c1ccc(Cl)cc1 29060870 KTUHBEQXWKOEGK-VHEBQXMUSA-N 393.830 4.877 10 1 GJCF Cc1cc(O)c(O)c(Oc2cc(C)cc(O)c2Oc2cc(C)cc(O)c2O)c1 211493161 LHFVFGQTOMNUAT-UHFFFAOYSA-N 384.384 4.724 10 1 GJCF COc1cc2c(/C=C3/C(=O)Nc4cc(C)c(O)cc43)c(Cl)n(C)c2cc1C 28655917 IJLJGESJNSOCON-VIZOYTHASA-N 382.847 4.655 10 1 GJCF CN(C)c1ccc(C2=C(Cl)C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 95598386 VMEWEHODLARPJN-UHFFFAOYSA-N 395.673 4.583 10 1 GJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(O)ccc(Cl)c2F)N1 587718556 NJNPDCXUKIHERJ-GYKQLYQFSA-N 388.639 4.710 10 1 GJCF Cc1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc2n1C 587575806 GIAJCOWFXLAZIS-XUZZJYLKSA-N 385.419 4.895 10 1 GJCF Oc1ccc(Cl)c(F)c1[C@@H]1c2cccc(F)c2CCN1[C@@H]1CCSC1 962720475 UILPIICLIZYIGG-WYRIXSBYSA-N 381.875 4.777 10 1 GJCF Nc1ccc(C2(c3ccc(N)c(Cl)c3)C(=O)c3ccccc3C2=O)cc1Cl 98082476 ZGDAJJXEOXREPJ-UHFFFAOYSA-N 397.261 4.523 10 1 GJCF COc1ccc(-c2c(O)cc(O)c3c2C[C@@H](C)N[C@@H]3C)c2cc(C)cc(O)c12 2356604644 BTHDNVLXEZQYIK-CHWSQXEVSA-N 379.456 4.536 10 1 GJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Cl)cnc3[nH]1)[C@@H]1CC=C[C@H]21 587272188 PFFQWNNIFCZLHH-AHIWAGSCSA-N 381.823 4.654 10 1 GJCF COC(=O)c1cc(C[C@]2(C)[C@H](C)CC[C@]3(C)C(C)=CCC[C@@H]32)c(O)c(O)c1O 2356380268 YGSUREOWDQUWGU-NYIVEISTSA-N 388.504 4.931 10 1 GJCF COc1cc(C)ccc1OCc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587563483 FYGKHSDMBNLTLR-UHFFFAOYSA-N 375.428 4.833 10 1 GJCF Oc1ccccc1C1=NN(C(=S)Nc2ccccc2)[C@@H](c2ccccc2O)C1 40981270 PEORMINJHZISKH-LJQANCHMSA-N 389.480 4.646 10 1 GJCF CN(C)c1ccc(C2=C(c3ccc(S(C)(=O)=O)cc3)CCC2)cc1Cl 3814649 BZDNZDCNMJTHQZ-UHFFFAOYSA-N 375.921 4.904 10 1 GJCF CS(=O)(=O)Nc1ccccc1C=C1c2ccccc2CCc2ccccc21 103264140 UBBQAQASCRSODZ-UHFFFAOYSA-N 375.493 4.746 10 1 GJCF CNc1cc(Cl)ccc1-c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587066211 JNNPFNMYDBQERD-UHFFFAOYSA-N 387.826 4.700 10 1 GJCF O=C1c2ccccc2C(=O)c2c1ccc1nc([C@H]3Cc4ccccc4S3)[nH]c21 587043082 OGNOAZYYMJBUQY-GOSISDBHSA-N 382.444 4.728 10 1 GJCF COC(=O)c1cc(C[C@@H]2C(C)=CC[C@H]3C(C)(C)CCC[C@@]23C)c(O)c(O)c1O 13431229 SZRAUMXGPDDLLB-DGGJZMOXSA-N 388.504 4.931 10 1 GJCF biogenic COc1cccc(NCc2oc3c(c2C)C(=O)C(=O)c2cc(C)c(C)cc2-3)c1 1857634329 CXWMZFBTDXWIRR-UHFFFAOYSA-N 375.424 4.872 10 1 GJCF CCOC(=O)[C@@]1(C)C(N=Nc2cccc(Cl)c2)=C(O)C(=O)N1c1ccccc1 299813105 OMKNGPROZOYFFI-HXUWFJFHSA-N 399.834 4.562 10 1 GJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Cl)cc2O)N1 587693015 BWDLJSHNBVAXBY-XYZCENFISA-N 384.676 4.745 10 1 GJCF Cc1cc(O)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C 587822947 RVEMVXNRGTUNGW-HXPMCKFVSA-N 378.285 4.708 10 1 GJCF O=C(N[C@@H](c1ccco1)c1cc(Cl)c2cccnc2c1O)c1ccccc1 72111189 NCZBHATWWRNOGP-GOSISDBHSA-N 378.815 4.706 10 1 GJCF COc1ccccc1NC1=NC(=O)/C(=C/c2cc(Cl)cc(Cl)c2O)S1 95755388 KBYSLFTZRCBSAL-AUWJEWJLSA-N 395.267 4.790 10 1 GJCF Cc1cc2[nH]c([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@H]43)nc2c(C)n1 587276846 OABYROOWBLOPQE-STXHMFSFSA-N 375.432 4.618 10 1 GJCF Cc1cc(O)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl 587694239 PRGLIYDSXNUNOS-XLFHBGCDSA-N 384.676 4.879 10 1 GJCF CCN(CC)Cc1ccc(/C=C/c2cnc(C)c3c2COC(C)(C)O3)cc1O 1857571982 LFPZKGJSJKVXOL-CSKARUKUSA-N 382.504 4.753 10 1 GJCF COc1cc(OC)c2c(O)cccc2c1-c1ccc2c(c1O)[C@@H](C)N[C@H](C)C2 95486322 KQDGUTUGQTWZAI-CHWSQXEVSA-N 379.456 4.530 10 1 GJCF biogenic,in-vitro CC(C)=CCc1c(O)c(O)cc2oc3c4c(cc(O)c3c(=O)c12)O[C@H](C)C4(C)C 28707606 GIEMQAXHAKGAAH-LLVKDONJSA-N 396.439 4.630 10 1 GJCF biogenic CCOC(=O)CN(CCCOc1ccc2ccccc2c1)c1ccc(OC)cc1 29132184 DGUBUYRIWNCHNC-UHFFFAOYSA-N 393.483 4.687 10 1 GJCF CC[C@@]1(c2ccc(N(C)C)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587753733 HZNJUTBPMOCZPG-RBZFPXEDSA-N 391.328 4.842 10 1 GJCF CC[C@@H](c1ccc(O)c(CN(C)C)c1)[C@@H](CC)c1ccc(O)c(CN(C)C)c1 40466224 HAOPAWWUCDCDQS-VXKWHMMOSA-N 384.564 4.908 10 1 GJCF Cc1ccccc1CSc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 103264525 BWHXKLIPDUGCOV-UHFFFAOYSA-N 384.460 4.939 10 1 GJCF COc1cc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@H]43)[nH]c2cc1C 587277487 WWWGJZPXVSFYSK-VTJXTGGHSA-N 390.443 4.923 10 1 GJCF COc1ccccc1NC(=S)N1N=C(c2ccc(O)cc2)C[C@H]1c1ccco1 45335919 CIMQQTPMGYOWGH-SFHVURJKSA-N 393.468 4.542 10 1 GJCF O=c1oc2ccccc2cc1C1=NN(c2ccccc2)[C@H](c2ccccc2O)C1 96932479 HLWGXJOKOAUGER-NRFANRHFSA-N 382.419 4.854 10 1 GJCF Cc1cc(C)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587823880 WZQPOSCRHLPTKT-HXPMCKFVSA-N 378.285 4.708 10 1 GJCF Oc1ccc(Cl)c([C@H](Nc2ccccn2)c2ccc3cccnc3c2O)c1 2470603 HWMMCDOREJELOB-HXUWFJFHSA-N 377.831 4.896 10 1 GJCF CC1(C)Cc2c(cnn2-c2ccccc2)C(O)=C1/N=N\C(=O)c1ccccc1O 13118368 FXMVWZTXUFSOCC-IZHYLOQSSA-N 388.427 4.679 10 1 GJCF Oc1c([C@H]2NCCc3cccc(-c4ccccc4)c32)cc2c3c1CCCN3CCC2 962668673 XDALBPRMCQXVJW-RUZDIDTESA-N 396.534 4.993 10 1 GJCF CC(C)(C)C(=O)N1CSC[C@H]1c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587042927 NRORRPHVSUCQSS-SFHVURJKSA-N 396.516 4.558 10 1 GJCF COc1ccc(CN2CCN(c3c(C)c(C)c4c(c3C)CC(C)(C)O4)CC2)cc1 653903425 WSEAZKJOBGZRLB-UHFFFAOYSA-N 394.559 4.656 10 1 GJCF COc1cc2c(c(O)c1-c1ccc(O)c3c(OC)cc(C)cc13)[C@@H](C)N[C@H](C)C2 13359089 XVUNMUYOQXRZLI-ZIAGYGMSSA-N 393.483 4.839 10 1 GJCF biogenic C/C(=C\C=C\C(C)C)CCC/C(C)=C/COc1c(O)cc2c(c1O)CNC2=O 36378746 WISWTRKCRGUYOO-YMMBQXIKSA-N 385.504 4.995 10 1 GJCF O=C1N=C(Nc2ccc(F)cc2C(=O)O)S/C1=C\c1cccc2ccccc12 263621061 SWEIVYMGBOSFGN-ZDLGFXPLSA-N 392.411 4.760 10 1 GJCF in-vitro CCCC[C@@H](C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)cccc1C3=O 2356341177 HYSGISFYJYNMBF-GFCCVEGCSA-N 390.435 4.876 10 1 GJCF O=C1c2c(cc(-c3ccccc3)c(O)c2O)CN1Cc1ccc(F)c(Cl)c1 95560944 IFZZAGRIRFOHGK-UHFFFAOYSA-N 383.806 4.713 10 1 GJCF COC(=O)c1cc(C[C@@H]2C(C)=CC[C@@H]3C(C)(C)CCC[C@@]23C)c(O)c(O)c1O 13431227 SZRAUMXGPDDLLB-QZMQVMSPSA-N 388.504 4.931 10 1 GJCF biogenic CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(OC(F)(F)F)cc2O)N1 962951413 SWYAOONZPYHZDP-ZMZPIMSZSA-N 376.378 4.786 10 1 GJCF C[C@H](F)C(=O)N[C@@H](C)c1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1 149933035 KSWQERSCRURBGM-IRXDYDNUSA-N 396.506 4.614 10 1 GJCF O=C(O)CCCCCCCCCCCOC(=O)/C=C/c1ccc(O)c(O)c1 226162668 XEURKDHCDUEKTP-WYMLVPIESA-N 378.465 4.640 10 1 GJCF COc1ccc(CN2CCC[C@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)c(O)c1 11956669 FNGPGEHLNKUIHA-INIZCTEOSA-N 393.405 4.515 10 1 GJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(O)ccc(Cl)c2F)N1 587714431 FNIJTKDNNOHTJE-QZTNRIJFSA-N 388.639 4.710 10 1 GJCF Oc1cccc(NC(=S)/N=N\c2c(O)[nH]c3ccc(Br)cc23)c1 102664114 VASNXSMZMUNJDG-VXPUYCOJSA-N 391.250 4.822 10 1 GJCF Cc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1C 587820449 DDYXMGFCRHJRJY-NSPYISDASA-N 378.285 4.708 10 1 GJCF Cc1cc(-c2csc(CCN3CCCC3=O)n2)c(C)n1-c1ccccc1F 30447771 XUBMKWBOGCYXTR-UHFFFAOYSA-N 383.492 4.522 10 1 GJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(c2)C[C@@H](C)N3C)N1 587761223 OOQGOADLVGHQMP-FKANQGBASA-N 389.312 4.593 10 1 GJCF Nc1ccc(Oc2ccc3nc(Cn4cc(-c5ccc(F)cc5)cn4)[nH]c3c2)cc1 587165542 ZBQCHCKQSHKXFP-UHFFFAOYSA-N 399.429 4.988 10 1 GJCF Cc1[nH]n(-c2nc3ccc(Cl)cc3s2)c(=O)c1/N=N/c1ccccc1O 169330581 MPQLHPBHECVLCS-QZQOTICOSA-N 385.836 4.858 10 1 GJCF CCN(CC)c1ccc(CN[C@H]2CCCC[C@H]2NC(=O)c2ccc(F)cc2)cc1 169350875 HSSWFAAFUJYLHB-XZOQPEGZSA-N 397.538 4.503 10 1 GJCF COc1cc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@@H]43)[nH]c2cc1F 587275815 GTOYKJDEWJUMCC-MTJIALIYSA-N 394.406 4.754 10 1 GJCF COc1ccc(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c(OC)c1C 587786029 AUPPVBLANVHPRG-UHFFFAOYSA-N 375.428 4.930 10 1 GJCF CC[C@H](C)Oc1ccc(N2CC[C@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)cc1 1772575311 RVIJMAAMJXVXFD-XFAGBWLFSA-N 396.531 4.719 10 1 GJCF CCCc1ccc([C@@H]2CC(c3ccc(O)cc3)=NN2C(=O)c2cccnc2)cc1 1772609390 JTYLEDOQOJVASV-QHCPKHFHSA-N 385.467 4.731 10 1 GJCF Cn1nc(C(C)(C)C)cc1NC(=O)Nc1ccc(Cc2ccc(N)cc2)cc1 13442538 MLGCXSRYVCKDMU-UHFFFAOYSA-N 377.492 4.535 10 1 GJCF Nc1ccc(Oc2ncnc3c2ccn3Cc2ccc(C(F)(F)F)cc2)cc1 95557523 DFQKBUUYDNUEKE-UHFFFAOYSA-N 384.361 4.873 10 1 GJCF CCCN(CCC)c1ccc2c(c1)C(=O)N1CCc3c([nH]c4ccccc34)[C@@H]1O2 473092014 RPYZXEDHHOVNSH-DEOSSOPVSA-N 389.499 4.884 10 1 GJCF Cc1cccc([C@H]2CN(Cc3ccco3)CCc3c2cc(O)c(O)c3Cl)c1 27183056 XZANZNDOULWJRM-LJQANCHMSA-N 383.875 4.843 10 1 GJCF C[C@H](CC(=O)C1CC1)c1ccc(OC2CN(c3ccc(OC4CC4)cc3)C2)cc1 96172872 AFOBGZVBJMTCDG-QGZVFWFLSA-N 391.511 4.968 10 1 GJCF CCCn1c(O)c(N=NC(=O)c2cccnc2)c2cc(Br)ccc21 253989046 GGQUJVFIKJYUSM-UHFFFAOYSA-N 387.237 4.839 10 1 GJCF CC[C@@]1(c2ccc(N(C)C)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587753177 GMFOLAMPARXKEQ-XCLFUZPHSA-N 391.328 4.842 10 1 GJCF COc1ccc(C2=N[C@@H](c3ccccc3OC)N[C@@H](c3ccccc3O)C2)cc1 53362958 NWXCKWDMRABXRQ-ZJSXRUAMSA-N 388.467 4.632 10 1 GJCF Nc1ccc(Oc2ccc3[nH]c(-c4cccc(OCC(F)F)n4)nc3c2)cc1 587126045 VHQWHDGSIMITBY-UHFFFAOYSA-N 382.370 4.643 10 1 GJCF COc1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccccc3nc12 5138646 CIVJRNPJGJLWEV-UHFFFAOYSA-N 393.468 4.512 10 1 GJCF O=C1c2ccccc2C(=O)c2c1ccc1nc([C@@H]3Cc4ccccc4S3)[nH]c21 587043085 OGNOAZYYMJBUQY-SFHVURJKSA-N 382.444 4.728 10 1 GJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCCC3)cc2)N1 587766591 OCLKOFAUJNHAQP-RBZFPXEDSA-N 389.312 4.812 10 1 GJCF O=C(c1ccccc1NCc1ccc2ncccc2c1)c1c[nH]c2ccncc12 40896116 MSSJMGYIHGVICC-UHFFFAOYSA-N 378.435 4.954 10 1 GJCF O=C1/C(=C/c2ccccc2O)N=C(c2ccccc2)N1c1nc2ccccc2s1 6020161 DYLJLIMKVLNIJW-JXAWBTAJSA-N 397.459 4.836 10 1 GJCF Cc1ccccc1NC(=S)N1N=C(c2ccc(O)cc2)C[C@H]1c1ccco1 45373073 UZDUHLXBAKDCFL-IBGZPJMESA-N 377.469 4.842 10 1 GJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Cl)cc2O)N1 587693007 BWDLJSHNBVAXBY-HUTHGQBESA-N 384.676 4.745 10 1 GJCF COc1cc2c(c(O)c1-c1ccc(O)c3c(OC)cc(C)cc13)[C@H](C)N[C@H](C)C2 13359086 XVUNMUYOQXRZLI-KGLIPLIRSA-N 393.483 4.839 10 1 GJCF biogenic O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3coc4cc(F)ccc34)[nH]c21 587175109 PPRJPXMAEIRBFS-UHFFFAOYSA-N 382.350 4.891 10 1 GJCF CC(=CC=C[C@H](C)CCC=C(C)[C@@H]1OC(=O)C(=O)C1=O)CCCc1ccoc1 2356613526 OTLUUQOHVRZSKD-AOMKIAJQSA-N 384.472 4.531 10 1 GJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)cc(Cl)c2O)N1 587725763 FWQXVWCBNWIJJC-MLXNANBUSA-N 388.639 4.710 10 1 GJCF CC(=CCc1cc(O)c(O)c(C=O)c1O)CCC=C(C)CCC[C@@H](C)C(=O)O 2356481459 QNEAGEXRNPOWHW-MRXNPFEDSA-N 390.476 4.722 10 1 GJCF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3cc(Oc4ccc(N)cc4)ccc3[nH]2)cc1 587783788 AJVNUSYSKWNFEV-UXHICEINSA-N 399.450 4.881 10 1 GJCF O=S(=O)(Nc1nc(-c2cccc(Cl)c2)cs1)c1cccc(Cl)c1 103299480 DUYCOVJCVSWTRD-UHFFFAOYSA-N 385.297 4.918 10 1 GJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(F)c(F)c3[nH]1)[C@@H]1CC=C[C@@H]21 587277120 PKQNZRJWZMOPCL-FMTVUPSXSA-N 382.370 4.884 10 1 GJCF C[C@@H](Oc1ccccc1)C(=O)/N=N/c1c(O)[nH]c2ccc(Br)cc12 100645259 DJUPBMMFTVNSHA-OLOQPLSPSA-N 388.221 4.714 10 1 GJCF CCOc1ccc(O)c([C@@]2(C)c3ccsc3CCN2Cc2cccnc2)c1 962996360 JIEZBYYJRQJVOA-JOCHJYFZSA-N 380.513 4.569 10 1 GJCF CCOc1ccc2[nH]c3cc(NCC4=CC=CCC4=S)ccc3c(=N)c2c1 1772647283 VMXQOAWIYMAFDG-UHFFFAOYSA-N 375.497 4.867 10 1 GJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(O)cccc2Cl)N1 587694176 OPLXORZNFMZASA-XYZCENFISA-N 384.676 4.745 10 1 GJCF CC[C@@]1(c2ccc(F)cc2O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587728895 UEXPTORSTNCIJS-YPMLDQLKSA-N 382.248 4.621 10 1 GJCF CCN(C)c1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587743875 YJYAMMNULCYBQA-HXPMCKFVSA-N 377.301 4.668 10 1 GJCF COc1cc(/C=C\c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc(O)c1O 587784695 CHKBVFUEOHVEMK-IHWYPQMZSA-N 384.741 4.825 10 1 GJCF Cc1cc(C)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587819587 BGGOQLZJFHFSDJ-HXPMCKFVSA-N 378.285 4.708 10 1 GJCF Oc1ccc(NC(=S)N=Nc2c(O)[nH]c3ccc(Br)cc23)cc1 253978739 ACKCEYIVRXUHDK-UHFFFAOYSA-N 391.250 4.822 10 1 GJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N(C)C)cc2Cl)N1 587693362 JRYVLNLGGBNULL-YPMLDQLKSA-N 397.719 4.931 10 1 GJCF Cc1cc(C)c([C@@H]2CC(c3ccc(O)cc3)=NN2C(=O)c2cccnc2)c(C)c1 1772613122 MFVZAFPNLKEBBT-QFIPXVFZSA-N 385.467 4.704 10 1 GJCF Cc1cccc(CN(Cc2ccc(O)cc2)C(=S)Nc2ccccc2)c1O 45385347 LCGCEYCAQPJEBN-UHFFFAOYSA-N 378.497 4.805 10 1 GJCF COc1ccccc1NCc1oc2c(c1C)C(=O)C(=O)c1cc(C)c(C)cc1-2 1857748070 OSLPJMSEWORRGX-UHFFFAOYSA-N 375.424 4.872 10 1 GJCF C/C(=C/CC[C@]1(C)C=Cc2cc(CCc3cccc(O)c3O)ccc2O1)CO 14721673 MYFQBSFOYRALBJ-CWUASQCVSA-N 380.484 4.766 10 1 GJCF Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1N(C)C 587751932 BYBKXZXCWLQCJS-HXPMCKFVSA-N 377.301 4.586 10 1 GJCF Nc1ccc(Oc2ccc3nc(CCC(=O)c4ccc(F)cc4)[nH]c3c2)cc1 587163123 MQQUZWLJHYBKGZ-UHFFFAOYSA-N 375.403 4.892 10 1 GJCF COc1ccc(-c2ccc(O)c([C@H]3c4ccc(F)cc4C[C@H]4CCCN43)c2)cn1 963116457 XJHAOWJRPNCVIM-NTKDMRAZSA-N 390.458 4.712 10 1 GJCF O=C1c2ccccc2-c2cc(C3C(=O)c4ccccc4C3=O)nc3cccc1c23 587208423 WFOGOBVDWNRKTN-UHFFFAOYSA-N 375.383 4.609 10 1 GJCF COc1cc(/C=C/c2cccc(O)c2O)c(Cc2ccc(O)cc2)c(OC)c1 14504163 RMPNHXXUANYNJL-CMDGGOBGSA-N 378.424 4.582 10 1 GJCF Cc1ccc(-n2c(C)cc([C@H]3NC[C@H]4CC(=O)N(C)c5cccc3c54)c2C)cc1C 963036273 XBXILGGTZPWTSU-BCHFMIIMSA-N 399.538 4.854 10 1 GJCF CC(=O)O[C@@H]1C[C@H](C)c2c(cc(C(=O)O)c(O)c2O)[C@@H]1[C@@H](C)CCC=C(C)C 2356510280 SPQIFYGJYQZMOT-UHIXZJCNSA-N 390.476 4.701 10 1 GJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](/C=C/c2ccc(N(C)C)cc2)N1 587753713 HXYDRONMFBNFGS-IVIKEIPHSA-N 389.312 4.943 10 1 GJCF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2c(O)cc(F)cc2Br)N1 962947468 NLXJUBKUZIXYKR-WLRWDXFRSA-N 389.268 4.789 10 1 GJCF CNc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12 5138580 FODDJNZEXHBBKD-UHFFFAOYSA-N 392.484 4.545 10 1 GJCF COc1ccc(-c2c(O)cc(O)c3c2C[C@H](C)N[C@H]3C)c2cc(C)cc(O)c12 2356604647 BTHDNVLXEZQYIK-STQMWFEESA-N 379.456 4.536 10 1 GJCF Cc1ccc(NS(C)(=O)=O)cc1Nc1c2ccccc2nc2ccccc12 26841311 SIBJNHNFKSPWEO-UHFFFAOYSA-N 377.469 4.812 10 1 GJCF COc1ccc(N2CCN(Cc3coc(-c4cccc5ccccc45)n3)CC2)cc1 72186259 FQHLLNQXSRUPAX-UHFFFAOYSA-N 399.494 4.826 10 1 GJCF Cc1cc2c(n1-c1cccc(Br)c1[N+](=O)[O-])CC(C)(C)CC2=O 587936140 FXKLXSIFNMNNJP-UHFFFAOYSA-N 377.238 4.612 10 1 GJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(Cl)ccnc3[nH]1)[C@H]1CC=C[C@H]21 587271454 CFJVWWHZRIANMI-MKBNYLNASA-N 381.823 4.654 10 1 GJCF O=C1c2ccccc2C(=O)c2c1ccc1nc(CCc3ccccc3Cl)[nH]c21 587059119 NTOUGDKPUZCFQF-UHFFFAOYSA-N 386.838 4.777 10 1 GJCF CCc1ccc(O)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587823493 UQFARHJTPSWJPK-WYRIXSBYSA-N 378.285 4.654 10 1 GJCF COc1cccc2c(-c3ccc4c(c3O)[C@H](C)N[C@H](C)C4)c(O)cc(OC)c12 2356709320 YLKXTMUWAMSTTA-OLZOCXBDSA-N 379.456 4.530 10 1 GJCF C[C@@H](Oc1ccc(F)cc1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587169504 YAUGJYILXGASTL-GFCCVEGCSA-N 386.382 4.617 10 1 GJCF COC(=O)c1cc(C[C@@]2(C)[C@@H]3CCC=C(C)[C@@]3(C)CC[C@H]2C)c(O)c(O)c1O 2356380267 YGSUREOWDQUWGU-JNSQDOHPSA-N 388.504 4.931 10 1 GJCF Cc1ccc([C@@H](c2cc(Br)ccc2O)N2CCSCC2)cc1 61925480 YAOHPDZANPNGST-SFHVURJKSA-N 378.335 4.601 10 3 GJCF FC(F)(F)c1ncc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)nc-2[nH]1 587078277 NHPCZGWDKPDEQZ-RBZYPMLTSA-N 391.784 4.803 10 1 GJCF CCCOc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587798797 ZJLARVWEYFCNAO-NSPYISDASA-N 394.284 4.706 10 1 GJCF CC[C@]1(c2ccc(N(C)C)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587753175 GMFOLAMPARXKEQ-RNODOKPDSA-N 391.328 4.842 10 1 GJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](/C=C/c2ccc(N(C)C)cc2)N1 587753714 HXYDRONMFBNFGS-KBYXCCRBSA-N 389.312 4.943 10 1 GJCF CC[C@]1(c2ccc(F)cc2O)N[C@H](C)Cc2ccc(F)c(Br)c21 587725181 BXWJTYWKRGQDNC-MLCYQJTMSA-N 382.248 4.621 10 1 GJCF Cc1c(CN2CCOCC2)cc(-c2ccc(C(C)C)cc2)n1-c1ccc(F)cn1 1857773935 LGWLHEXZSVWBMB-UHFFFAOYSA-N 393.506 4.942 10 1 GJCF Cc1ccc(O[C@H](CCN2CCc3cc(O)c(O)cc3C2)c2ccccc2)cc1 13530673 HKUBXLWNFDMFCX-RUZDIDTESA-N 389.495 4.975 10 1 GJCF COc1cccc2c(-c3c(O)cc(O)c4c3C[C@H](C)N[C@@H]4C)c(C)cc(O)c12 2356708853 FOCDXOFHJIRQRW-QWHCGFSZSA-N 379.456 4.536 10 1 GJCF CC(C)=CCc1c(O)c(O)c2c(c1CC=C(C)C)C(=O)[C@@H]1C(O)=CC=C(O)[C@H]1O2 2356751196 OJFHQRYJPSDSRE-PGRDOPGGSA-N 398.455 4.573 10 1 GJCF O=C1C(=O)[C@@H](c2ccc(NC3CCCC3)c(O)c2)Oc2c1ccc1ccccc21 957674599 LHFDHHOJEQDTLX-HSZRJFAPSA-N 387.435 4.785 10 1 GJCF CN(C)C(=O)/C=C/c1ccc(N2CCc3cc(O)ccc3[C@H]2c2ccccc2)cc1 26653907 WJZVLVHBFUHGTK-MPUSPQBPSA-N 398.506 4.646 10 1 GJCF CCCCN(Cc1cccc(Br)c1O)C(=O)Nc1ccccc1 45336057 PAZHTUBWGGMCLX-UHFFFAOYSA-N 377.282 4.989 10 1 GJCF C[C@H]1C(=O)[C@H](C)[C@H](c2cc(Cl)ccc2O)N[C@H]1c1cc(Cl)ccc1O 15962806 YBLSMVRDZNJMBC-UBVDWCKXSA-N 380.271 4.632 10 1 GJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc([N+](=O)[O-])c3[nH]1)[C@H]1CC=C[C@@H]21 587276410 LDNKXOKFYPEXAP-VBHSOAQHSA-N 391.387 4.514 10 1 GJCF O=C(/N=N\c1c(O)n([C@H]2OC(=O)c3ccccc32)c2ccccc12)c1ccco1 102293092 DMFOUMKRDVWWBK-LPNGOHTBSA-N 387.351 4.581 10 1 GJCF O=C(Cn1c(-c2ccccn2)nc2ccccc21)/N=N/c1c(O)[nH]c2ccccc12 5091808 RAOKRRMTSXKWQX-CYYJNZCTSA-N 396.410 4.596 10 1 GJCF COc1ccc(OC)c(-c2ccc(O)c(CNCCc3cccc(F)c3)c2)c1 45365647 PFLKUZGPTUVMFA-UHFFFAOYSA-N 381.447 4.548 10 1 GJCF COc1cc(/C=C\c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc(O)c1O 587786484 UQGWVUPQFGZVQA-MBXJOHMKSA-N 389.411 4.528 10 1 GJCF COC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc(OC(C)C)cc3)C2)cc1 1772577350 YIWAINWZIZEDCV-JTSKRJEESA-N 398.503 4.549 10 1 GJCF Cc1cc2c(n1-c1ccc(C(N)=O)c(Nc3ccccc3)c1)CC(C)(C)CC2=O 36487164 KWNGVSPUISEBNI-UHFFFAOYSA-N 387.483 4.783 10 1 GJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cncc(Cl)c3[nH]1)[C@@H]1CC=C[C@H]21 587271525 FAJFOZWTMQMCIT-JKDFXYPNSA-N 381.823 4.654 10 1 GJCF Oc1[nH]c2ccc(Br)cc2c1N=NC(=S)NCc1ccccc1 617960169 XMHHRIMEVCJYNN-UHFFFAOYSA-N 389.278 4.794 10 1 GJCF O=C(Nc1ccc(-c2ccccc2)cc1)C1CCN(Cc2ccccc2O)CC1 1857607353 ZTGDPUXZRDBIJI-UHFFFAOYSA-N 386.495 4.910 10 1 GJCF CC[C@H](c1ccc(O)c(CN(C)C)c1)[C@@H](CC)c1ccc(O)c(CN(C)C)c1 40466226 HAOPAWWUCDCDQS-SZPZYZBQSA-N 384.564 4.908 10 1 GJCF COc1ccc(C2=N[C@H](c3ccccc3OC)N[C@@H](c3ccccc3O)C2)cc1 53362962 NWXCKWDMRABXRQ-QPPBQGQZSA-N 388.467 4.632 10 1 GJCF O=C1c2ccccc2C(=O)c2c1ccc1nc([C@@H]3C[C@]34CCc3ccccc34)[nH]c21 586885264 AQJBAOWWZSLFBE-SIBVEZHUSA-N 390.442 4.710 10 1 GJCF CC1(C)Cc2c(cnn2-c2ccccc2)C(O)=C1/N=N/C(=O)c1ccccc1N 101935087 KETANZWADUJHLC-OCEACIFDSA-N 387.443 4.556 10 1 GJCF Cc1ccc([C@@H]2CC(c3cc(Cl)ccc3O)=NN2C(=O)c2ccncc2)cc1 299839421 RNWXYIRPOODILF-FQEVSTJZSA-N 391.858 4.741 10 1 GJCF Nc1ccc(Oc2ccc3nc(-c4csc([C@@H]5CCCO5)n4)[nH]c3c2)cc1 587015716 ABDNIVPEYVJTCD-SFHVURJKSA-N 378.457 4.912 10 1 GJCF COc1cccc(NC(=O)CC(=O)n2nc(C)c(/N=N/c3ccccc3)c2C)c1 17176260 AEMPPWGNTGLVAR-WCWDXBQESA-N 391.431 4.593 10 1 GJCF COC(=O)c1c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc2n1C 587515107 JIXNSHGKCQULNV-HXUWFJFHSA-N 389.451 4.550 10 1 GJCF Cc1cc(O)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C 587822268 MMTGROMVZWAKQI-HXPMCKFVSA-N 378.285 4.708 10 1 GJCF COc1ccc(-c2c(O)cc(O)c3c2C[C@H](C)N[C@@H]3C)c2cc(C)cc(O)c12 2356604646 BTHDNVLXEZQYIK-QWHCGFSZSA-N 379.456 4.536 10 1 GJCF COc1cc2c(cc1C)NC(=O)/C2=C/c1c(Cl)n(C)c2cc(C)c(OC)cc12 58583184 HYUREVCXOODBEL-LZYBPNLTSA-N 396.874 4.958 10 1 GJCF CN1C(=O)/C(=C/c2nc(-c3ccccc3F)n3ccccc23)c2cc(F)ccc21 72109733 XDLWGOXPVCNESM-GHRIWEEISA-N 387.389 4.797 10 1 GJCF COc1cc2c(c(OC)c1CC=C(C)C)-c1oc3cc(O)c(O)cc3c1CO2 238789564 OSSFQOYHZOSFHK-UHFFFAOYSA-N 382.412 4.929 10 1 GJCF O=C(/N=N/c1c(O)n([C@@H]2OC(=O)c3ccccc32)c2ccccc12)c1ccco1 6197624 DMFOUMKRDVWWBK-QAHCAUCSSA-N 387.351 4.581 10 1 GJCF O=C(O)c1cc(F)cc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c12 587078687 ZPWWBGNKXLOWMF-IUUKEHGRSA-N 383.810 4.880 10 1 GJCF Cc1cc(/C=C2/SC(=S)NC2=O)c(C)n1-c1ccccc1C(F)(F)F 473154473 HWGWBGULPSLBBE-RIYZIHGNSA-N 382.432 4.602 10 1 GJCF Cc1cc(C)c(O)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587821295 HEWHZKXPOGDCIH-HXPMCKFVSA-N 378.285 4.708 10 1 GJCF Cc1cc(O)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C 587822265 MMTGROMVZWAKQI-BUXKBTBVSA-N 378.285 4.708 10 1 GJCF Cc1cc(O)c(Oc2cc(C)cc(Oc3cc(C)cc(O)c3O)c2O)c(O)c1 1772619797 DGNUPSSKGZQZAI-UHFFFAOYSA-N 384.384 4.724 10 1 GJCF COc1cccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@@H]43)[nH]c12 587276634 NIRNLOGKENGXOT-BIENJYKASA-N 376.416 4.615 10 1 GJCF COc1cc2c3c(c1)O[C@@]1(c4ccccc4CSc4ccccc41)[C@@H](C2)C3=O 587453333 QGQNRAIYPUOYKK-YADARESESA-N 386.472 4.992 10 1 GJCF CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@@H](CN=[N+]=[N-])CC3=O 45283664 XYBNRSIFLQDUIX-GFCCVEGCSA-N 395.415 4.574 10 1 GJCF O=C1c2ccccc2C(=O)[C@@H](CCCc2ccc(Oc3ccccc3)cc2)[C@@H]1O 102198532 CMFULNRWJMQIDR-RDGATRHJSA-N 386.447 4.858 10 1 GJCF COc1ccc2c(c1OC)[C@@H](c1c(F)ccc(C(F)(F)F)c1O)N(C)[C@@H](C)C2 962628221 LOSQNZKYRDUJPF-BTDLBPIBSA-N 399.384 4.533 10 1 GJCF CC(=O)N1c2ccccc2N=C2CCCC(O)=C2[C@H]1c1ccc(N(C)C)cc1 104004711 KBJXGLYTVVBYRX-HSZRJFAPSA-N 375.472 4.929 10 1 GJCF CSc1ncc(CN2CCC(N(C)Cc3c(F)cccc3Cl)CC2)s1 299860596 JJUOFELZCNKPKM-UHFFFAOYSA-N 399.988 4.754 10 1 GJCF CN(C)c1ccc([C@H]2CC(c3ccc4c(c3)OCCO4)=NN2c2ccccc2)cc1 653912922 XYBLZFUVTDZOBZ-HSZRJFAPSA-N 399.494 4.880 10 1 GJCF O=C(Nc1ccc(CCCCc2ccc(O)c(O)c2)cc1)c1ccccc1O 28087589 FWMHHKDAKAJXOG-UHFFFAOYSA-N 377.440 4.621 10 1 GJCF COc1cc(OC2CC2)ccc1N1CC(Oc2ccc([C@H](C)CC(C)=O)cc2)C1 96172876 NNLNQIRWRZXZSH-MRXNPFEDSA-N 395.499 4.587 10 1 GJCF O=C(Nc1ccc(CCc2ccc(O)c(O)c2)cc1)c1c(O)ccc2ccccc12 28015331 VESQEIGHVUNTRB-UHFFFAOYSA-N 399.446 4.994 10 1 GJCF CCN(CC)C(=O)NCc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O 29241037 UWBNNZZNITTYGX-UHFFFAOYSA-N 398.894 4.889 10 1 GJCF CC(=O)O[C@H]1c2ccc(CN(C)C)n2-c2ccccc2S[C@H]1c1ccccc1 13760862 KCEKMNJYZIZWOQ-GOTSBHOMSA-N 392.524 4.990 10 1 GJCF COC(=O)c1cc2c(c(O)c1O)O[C@@]1(C2)[C@@H](C)CC[C@H]2C(C)(C)CCC[C@@]21C 96922382 QOJXSCYJHFCUEV-VKSPTSCYSA-N 388.504 4.821 10 1 GJCF O=C(O)c1ccc(N2C(=O)/C(=C/c3ccc4ccccc4c3)SC2=S)cc1 211654085 OWWKVYUBJPMGIP-PDGQHHTCSA-N 391.473 4.944 10 1 GJCF CCc1ccc(O)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587820406 CWDUMFJOSPOIDR-WLRWDXFRSA-N 378.285 4.654 10 1 GJCF Cc1ccc([C@H]2N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)n1-c1ccccc1 962773816 XZVXBNJMYBMCRN-ICSRJNTNSA-N 384.401 4.521 10 1 GJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(Cl)nc3[nH]1)[C@@H]1CC=C[C@H]21 587271837 JPFMCGFVJHGNTN-JKDFXYPNSA-N 381.823 4.654 10 1 GJCF Cc1ccc(C2=NN[C@]3(S2)C(=O)N(Cc2ccccc2)c2ccc(C)cc23)cc1 28824762 VQNLWQPAZKLZQZ-XMMPIXPASA-N 399.519 4.701 10 1 GJCF COc1cc2c(/C=C3/C(=O)Nc4ccc(N(C)C)cc43)c(Cl)n(C)c2cc1C 58564031 UZMMCUSDSLJAMF-LICLKQGHSA-N 395.890 4.707 10 1 GJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Cl)cc2O)N1 587701924 YGXFYIJUXIPWJO-XYZCENFISA-N 384.676 4.745 10 1 GJCF Cc1c(Nc2c3ccccc3nc3ccccc23)cccc1NS(C)(=O)=O 26845596 ZZXTZXMJMMKSHL-UHFFFAOYSA-N 377.469 4.812 10 1 GJCF COc1cc(OC)c2c(O)cccc2c1-c1ccc2c(c1O)[C@H](C)N[C@@H](C)C2 2356708992 KQDGUTUGQTWZAI-STQMWFEESA-N 379.456 4.530 10 1 GJCF Cc1c(CN2CCN(C)CC2)cc(-c2ccccc2Cl)n1-c1ccc(F)cc1 36471941 BPQYEJCVOBXPEQ-UHFFFAOYSA-N 397.925 4.993 10 1 GJCF Cc1cccc(NC(=S)N2N=C(c3ccc(O)cc3)C[C@H]2c2ccco2)c1 45357454 TWYWKLFQWWAMKY-IBGZPJMESA-N 377.469 4.842 10 1 GJCF Cc1c(-c2nc3cc(Oc4ccc(N)cc4)ccc3[nH]2)oc2c1[C@@H](O)CCC2 586905418 NYPFRKYKFXJVJP-SFHVURJKSA-N 375.428 4.876 10 1 GJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccnc(Cl)c3[nH]1)[C@H]1CC=C[C@H]21 587273040 ZAZAJSPGOAXZOZ-MKBNYLNASA-N 381.823 4.654 10 1 GJCF O=C1C(=Cc2c[nH]c3ccccc23)C(=O)N(c2ccccc2)N1c1ccccc1 2356284079 MYJBOKDZLYJWBO-UHFFFAOYSA-N 379.419 4.546 10 1 GJCF CCCSC(=S)c1c(-c2ccc([N+](=O)[O-])cc2)nn(-c2ccccc2)c1O 1857773495 OGPZMFFPQZXXMU-UHFFFAOYSA-N 399.497 4.972 10 1 GJCF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3cc(Oc4ccc(N)cc4)ccc3[nH]2)cc1 587783787 AJVNUSYSKWNFEV-PMACEKPBSA-N 399.450 4.881 10 1 GJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(C)cnc(Cl)c3[nH]1)[C@H]1CC=C[C@H]21 587272566 VLABGTTZZRIQLO-DCGLDWPTSA-N 395.850 4.963 10 1 GJCF CN(C)[C@H](c1ccc(F)cc1)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587162843 FJKKLDDBHWTDFS-OAQYLSRUSA-N 376.435 4.728 10 1 GJCF Cc1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc2n1C 587575809 GIAJCOWFXLAZIS-ZJSXRUAMSA-N 385.419 4.895 10 1 GJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(c2)CCCN3C)N1 587764060 BQYZVLWVOURHPV-ODXCJYRJSA-N 389.312 4.594 10 1 GJCF COc1cc(/C=C/c2nc3ccc(SC(F)(F)F)cc3[nH]2)cc(O)c1O 587785996 QVUFIDAUDZLZTJ-GORDUTHDSA-N 382.363 4.765 10 1 GJCF CN(C)c1ccc(O)c(CNc2ccc(/C=C/c3cc(O)cc(O)c3)cc2)c1 96273100 GYDUDZPNGRTASE-ONEGZZNKSA-N 376.456 4.652 10 1 GJCF COc1ccc(NC(=S)N2N=C(c3ccc(O)cc3)C[C@@H]2c2ccco2)cc1 45335900 GMUZBEPRONRVQZ-LJQANCHMSA-N 393.468 4.542 10 1 GJCF CC(=O)c1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@H]43)[nH]c2c1 587276118 JHYFVCSBMOUYCO-WHSLLNHNSA-N 388.427 4.809 10 1 GJCF CCOC(=O)CCc1ccc(-c2ccc(OC)cc2)n1-c1ccc(C(C)=O)cc1 84604060 YVYVEXJFUOWVCK-UHFFFAOYSA-N 391.467 4.851 10 1 GJCF Cc1c(CN2CCN(C)CC2)cc(-c2ccccc2)n1-c1ccc(Cl)cc1 19369538 PISZEUMDOSVQBR-UHFFFAOYSA-N 379.935 4.854 10 1 GJCF Oc1c(Br)cc(Br)cc1CNc1ccccc1F 72176893 OMKDMDJEXRPXNC-UHFFFAOYSA-N 375.035 4.668 10 1 GJCF COc1ccc2c(c1OC)[C@@H](c1c(F)ccc(C(F)(F)F)c1O)N(C)[C@H](C)C2 962628229 LOSQNZKYRDUJPF-QGHHPUGFSA-N 399.384 4.533 10 1 GJCF COc1cccc2c(-c3c(O)cc(O)c4c3C[C@@H](C)N[C@H]4C)c(C)cc(O)c12 2356708852 FOCDXOFHJIRQRW-OLZOCXBDSA-N 379.456 4.536 10 1 GJCF O=C(/N=N/c1c(O)n([C@H]2OC(=O)c3ccccc32)c2ccccc12)c1ccco1 6197629 DMFOUMKRDVWWBK-UTTYWZDOSA-N 387.351 4.581 10 1 GJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(Cl)nc3[nH]1)[C@@H]1CC=C[C@@H]21 587271844 JPFMCGFVJHGNTN-QFSBIZTOSA-N 381.823 4.654 10 1 GJCF CCCCCCNc1c2ccccc2nc2c(C(=O)NCCN(C)C)cccc12 29245163 QKZZUFDQAJWSMN-UHFFFAOYSA-N 392.547 4.672 10 1 GJCF CCN(CC)c1ccc([C@@H]2c3cc(OC)ccc3CCN2CCCOC)cc1 961315370 BWOUBPFIUONMRM-XMMPIXPASA-N 382.548 4.525 10 1 GJCF CC(=O)C(C(C)=O)c1ccccc1-c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 586882189 MIIXHVMUWFGBAP-UHFFFAOYSA-N 399.450 4.866 10 1 GJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)cc(Cl)c2O)N1 587730691 XMQOFHFMNNZWAK-NZFNHWASSA-N 388.639 4.710 10 1 GJCF CC(C)=CCc1c(O)cc(O)c2c(=O)c3c(CC=C(C)C)c(O)c(O)cc3oc12 14727661 DOOLVUDJANCINP-UHFFFAOYSA-N 396.439 4.786 10 1 GJCF biogenic Cc1ccc(-c2ccc(-c3ccccc3)cc2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1 26839318 NSUYYCLWHSMXLG-FGZHOGPDSA-N 375.468 4.587 10 1 GJCF CC(=O)N1N=C(c2ccc(-n3c(C)ccc3C)cc2)O[C@H]1c1ccccc1Cl 103191213 JXEVRNIIFAUBJH-QFIPXVFZSA-N 393.874 4.987 10 1 GJCF CCOC(=O)c1ccc2c(c1)nc(-c1ccc(N(C)C)cc1)n2-c1ccccc1 169353538 GMHMLPREGQGSSE-UHFFFAOYSA-N 385.467 4.935 10 1 GJCF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(C(=O)C(=O)c3ccccc3)cc1)O2 587406606 SSLPQZROIJBPOG-VWLOTQADSA-N 399.446 4.523 10 1 GJCF O=C1N=C(NCCc2ccc(Cl)cc2)S/C1=C\c1ccc2ncccc2c1 28821290 NIVFASQWEKUFIZ-UYRXBGFRSA-N 393.899 4.691 10 1 GJCF O=C(Cn1ccnc1/N=N/c1ccc(C(F)(F)F)cc1)NC1CCCCC1 1772570442 IUWBSUUDJVCRFX-OCOZRVBESA-N 379.386 4.766 10 1 GJCF CN(C)c1ccc(/C=C/C=C/c2sc3ccccc3[n+]2CCCC(=O)O)cc1 71294881 INPJAJNFDNKPNV-UHFFFAOYSA-O 393.532 4.846 10 1 GJCF [N-]=[N+]=NC[C@H](Cc1ccccc1)N1CC[C@@H](OCc2ccccc2)CCC1=O 15937234 JQQIONWPDKHQLE-SFTDATJTSA-N 378.476 4.506 10 3 GJCF CC(=O)OC1CCN([C@H](c2ccccc2)c2c(O)ccc3ccccc23)CC1 72180865 KZSSKWJEKOBVJP-XMMPIXPASA-N 375.468 4.662 10 1 GJCF CC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1cc(Cl)ccc1O 95560857 FPXRZKOMSSOAJL-MRXNPFEDSA-N 393.668 4.506 10 1 GJCF CC[C@]1(c2ccc(F)cc2O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587725182 BXWJTYWKRGQDNC-XTZNXHDOSA-N 382.248 4.621 10 1 GJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(Cl)c2O)N1 587691823 IREMTKMDODUOEE-HUTHGQBESA-N 384.676 4.745 10 1 GJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCCC3)cc2)N1 587766594 OCLKOFAUJNHAQP-ZUOKHONESA-N 389.312 4.812 10 1 GJCF COc1c(Cl)cc(N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)cc1Cl 13814465 WQTMBUJBEZPIIW-SJLPKXTDSA-N 391.342 4.928 10 1 GJCF COc1cccc(C2=N[C@H](c3ccccc3OC)N[C@@H](c3ccccc3O)C2)c1 53363352 WZSLVMPTHWXTHR-QPPBQGQZSA-N 388.467 4.632 10 1 GJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(F)c(F)cc3[nH]1)[C@@H]1CC=C[C@@H]21 587276859 OGCAADUJMCYIHT-CLUVUEOHSA-N 382.370 4.884 10 1 GJCF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(O)cc(F)cc2Br)N1 962947466 NLXJUBKUZIXYKR-JEOXALJRSA-N 389.268 4.789 10 1 GJCF CN(C)c1ccc([C@@]2(C(F)(F)F)c3ccc(F)cc3C[C@@H]3CCCN32)cc1 963091671 JKZJLFGZTNBQOL-ICSRJNTNSA-N 378.413 4.718 10 1 GJCF COc1cccc(-n2nc(C(C)C)c3c(/N=N/Cc4ccncc4)ncnc32)c1 169685284 SCHCLUSIRPTXSK-OCEACIFDSA-N 387.447 4.626 10 1 GJCF Oc1cc2c(cc1O)CN(CC[C@H](Oc1ccccc1F)c1ccccc1)CC2 13530661 JOXXZDLFMIOENC-QHCPKHFHSA-N 393.458 4.805 10 1 GJCF CCOC(=O)c1c(-c2ccc(O)cc2)oc2ccc(O)c(CN3CCCCC3)c12 1857653084 NTTCMOSFNMPAIL-UHFFFAOYSA-N 395.455 4.674 10 1 GJCF CC[C@@]1(c2cc(F)ccc2O)N[C@H](C)Cc2ccc(F)c(Br)c21 587728015 CNKKASHNWQDHTG-MGNBDDOMSA-N 382.248 4.621 10 1 GJCF COc1cc(/C=C/c2nc3cc(Br)cc(Cl)c3[nH]2)cc(O)c1O 587785539 NKDCFHYIYFEOGD-NSCUHMNNSA-N 395.640 4.569 10 1 GJCF Cc1cc(N2[C@H]3CCC[C@@H]2CC3)ccc1CNC(=O)Nc1cccc2[nH]ncc12 14973590 GTCOWIJWIPCJKF-HDICACEKSA-N 389.503 4.714 10 1 GJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(F)cnc(Cl)c3[nH]1)[C@H]1CC=C[C@@H]21 587276606 NCUQJDZZSZBQKT-ZETOZRRWSA-N 399.813 4.794 10 1 GJCF C[C@H]1Cc2cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)ccc2N1C 587761226 OOQGOADLVGHQMP-XAAFQQQXSA-N 389.312 4.593 10 1 GJCF CC(C)=CCc1c(O)c(O)cc2oc3c4c(cc(O)c3c(=O)c12)OC(C)(C)C=C4 60289208 BQNZDKWHGWGLMT-UHFFFAOYSA-N 394.423 4.756 10 1 GJCF biogenic Cc1ccc(-n2c(C)cc([C@@H]3N[C@H](C(=O)O)Cc4cc(F)ccc43)c2C)c(C)c1 962904142 NNSPOGUSUDLHJA-JTHBVZDNSA-N 392.474 4.538 10 1 GJCF O=C(Oc1ccc2ccccc2c1)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](C(=O)O)N2 4818929 ANBUMOGSYDQGMP-CNNODRBYSA-N 385.419 4.597 10 1 GJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Cl)ccc2O)N1 587703611 RDQZROHCYHIYMN-HUTHGQBESA-N 384.676 4.745 10 1 GJCF Oc1ccc(C2=NN(C(=S)Nc3ccccc3)[C@@H](c3ccc(O)cc3)C2)cc1 40866111 LGXVPDXUHWGOGM-OAQYLSRUSA-N 389.480 4.646 10 1 GJCF CC(=O)N1N=C(c2ccc(OCC=C(C)C)cc2O)C[C@@H]1c1ccc(C)cc1 64539145 VUEPLHFZPTVGPZ-JOCHJYFZSA-N 378.472 4.743 10 1 GJCF CC(=O)C[C@@H](C)c1ccc(OC2CN(c3ccc(OC4CC4)cc3F)C2)cc1 96172889 YQZLGXDTSFQMND-OAHLLOKOSA-N 383.463 4.717 10 1 GJCF O=C1c2ccccc2C(=O)c2c1ccc1nc(CNc3ccccc3Cl)[nH]c21 587061209 CNSKWUQXMBHZBM-UHFFFAOYSA-N 387.826 4.604 10 1 GJCF CCO[C@H]1C[C@H]2C(C)(C)CCC[C@]2(C(=O)OC)c2c1cc(C(C)C)c(O)c2O 1857547196 HYOYOOYYLOFIDU-HKARXFIJSA-N 390.520 4.940 10 1 GJCF COc1cc2c(cc1C)NC(=O)/C2=C/c1c(Cl)[nH]c2cc(C)c(OC)cc12 1864218 QSXUXHMUBGNSAC-VIZOYTHASA-N 382.847 4.948 10 1 GJCF Oc1ccc(Cl)c([C@@H](Nc2ccccn2)c2ccc3cccnc3c2O)c1 2470598 HWMMCDOREJELOB-FQEVSTJZSA-N 377.831 4.896 10 1 GJCF CCC(=O)N1c2ccccc2N=C2CCCC(=O)[C@@H]2[C@H]1c1ccc(N(C)C)cc1 13081285 ARCASDKSEGBXHN-DNQXCXABSA-N 389.499 4.692 10 1 GJCF O=C1N=C(NCCc2ccccc2Cl)S/C1=C\c1ccc2ncccc2c1 28821303 LPEVMUNFDQCTIL-UYRXBGFRSA-N 393.899 4.691 10 1 GJCF COc1ccc(C2=N[C@H](c3ccccc3OC)N[C@H](c3ccccc3O)C2)cc1 53362964 NWXCKWDMRABXRQ-URXFXBBRSA-N 388.467 4.632 10 1 GJCF CC[C@@]1(c2ccc(C)cc2O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587822402 NUSAAMVNGXGUIS-BUXKBTBVSA-N 378.285 4.790 10 1 GJCF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3c(O)ccc4ccccc34)[nH]c21 98084029 QKBPVXUWYCIZRW-UHFFFAOYSA-N 390.398 4.864 10 1 GJCF CC(=O)c1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@@H]43)[nH]c2c1 587276117 JHYFVCSBMOUYCO-VWKPWSFCSA-N 388.427 4.809 10 1 GJCF Cc1ccc([C@@H]2N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)n1-c1ccccc1 962773814 XZVXBNJMYBMCRN-AZUAARDMSA-N 384.401 4.521 10 1 GJCF CC(=O)N1N=C(c2ccc(-n3c(C)ccc3C)cc2)O[C@@H]1c1ccccc1Cl 103191215 JXEVRNIIFAUBJH-JOCHJYFZSA-N 393.874 4.987 10 1 GJCF COc1c(C)cc(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1C 103275224 XSXTVZGIXAQCCK-GHVJWSGMSA-N 396.472 4.923 10 1 GJCF CC(=O)N1CCN(c2ccc(Nc3c4ccccc4nc4ccccc34)cc2)CC1 26841793 ATBGUIYZJJRPMN-UHFFFAOYSA-N 396.494 4.800 10 1 GJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(F)cnc(Cl)c3[nH]1)[C@@H]1CC=C[C@@H]21 587276598 NCUQJDZZSZBQKT-HFAKWTLXSA-N 399.813 4.794 10 1 GJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)cc(F)c2O)N1 587720609 NPOTWQKKEKULBZ-ZIDLFYJRSA-N 388.639 4.710 10 1 GJCF COc1ccc(Cc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc1OC 587927860 YLTSOAAPSOCMSD-UHFFFAOYSA-N 375.428 4.545 10 1 GJCF CSc1ncc(CN2CCC(N(C)Cc3cccc(Cl)c3)CC2)s1 299860327 JBXWVTPWGIBWLY-UHFFFAOYSA-N 381.998 4.615 10 1 GJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(O)ccc(Cl)c2F)N1 587714429 FNIJTKDNNOHTJE-HYORBCNSSA-N 388.639 4.710 10 1 GJCF CC(C)(C)c1cc(C(=O)/N=N/c2c(O)[nH]c3ccc(Br)cc23)[nH]n1 5093071 VDFHRBYAYQFRIK-QURGRASLSA-N 390.241 4.581 10 1 GJCF Oc1nc2cc3nc([C@H]4Nc5ccc(Cl)cc5[C@H]5C=CC[C@H]54)[nH]c3cc2[nH]1 587079373 DBANETIBYALILX-PISHQANHSA-N 377.835 4.625 10 1 GJCF Brc1cccc(NCCCn2c3c(c4ccccc42)CCNC3)c1 1857547785 INTNSYFITNYPOH-UHFFFAOYSA-N 384.321 4.552 10 1 GJCF CC(C)(C)c1ccc(C(=O)n2c3cc(O)c(O)cc3c3ccc(O)c(O)c32)cc1 1916200 UASMIDABFKGBFW-UHFFFAOYSA-N 391.423 4.603 10 1 GJCF O=[N+]([O-])c1cccc2nc3ccccc3c(NCCC[N+]3([O-])CCCCC3)c12 5956283 MNOFJJRPIHDPDC-UHFFFAOYSA-N 380.448 4.597 10 1 GJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc([N+](=O)[O-])cc3[nH]1)[C@@H]1CC=C[C@H]21 587277410 VPJMHTBRAIQPNS-KSMMKXTCSA-N 391.387 4.514 10 1 GJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(O)cccc2Cl)N1 587694174 OPLXORZNFMZASA-VVVCHXIZSA-N 384.676 4.745 10 1 GJCF CC(C)C(=O)c1cc(C(=O)c2ccc(Oc3ccccc3)cc2)c(O)c(O)c1O 29151223 CVVQMBDTMYUWTR-UHFFFAOYSA-N 392.407 4.665 10 1 GJCF CCOC(=O)[C@@]1(C)C(/N=N/c2ccc(Cl)cc2)=C(O)C(=O)N1c1ccccc1 101532410 JAYBTYFNAXCBKH-QAHCAUCSSA-N 399.834 4.562 10 1 GJCF O=C1c2ccccc2C(=O)c2c1ccc1nc([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c21 586892663 VKXGRASLDXLLJW-MZIUCQNJSA-N 382.463 4.806 10 1 GJCF CC[C@]1(c2ccc(C)cc2O)N[C@H](C)Cc2ccc(F)c(Br)c21 587822404 NUSAAMVNGXGUIS-CWTRNNRKSA-N 378.285 4.790 10 1 GJCF Cc1cc(O)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cl 587695344 RPPJRDDAIHTICC-XYZCENFISA-N 384.676 4.879 10 1 GJCF CC(C)=CCc1c2c(c(O)c3c(=O)c4cc(O)c(O)cc4oc13)C=CC(C)(C)O2 96085679 PIGUNUPUFZDCAM-UHFFFAOYSA-N 394.423 4.756 10 1 GJCF in-vitro Oc1ccc(Cl)c(F)c1[C@H]1c2cccc(F)c2CCN1[C@H]1CCSC1 962720470 UILPIICLIZYIGG-JEOXALJRSA-N 381.875 4.777 10 1 GJCF Cc1cnc(SC[C@@]2(C)c3ccsc3CCN2Cc2cccnc2)s1 963000850 XNMLCWZUPAFSCF-IBGZPJMESA-N 387.599 4.974 10 1 GJCF Oc1cc2c(cc1O)CN(CC[C@@H](Oc1ccccc1F)c1ccccc1)CC2 13530658 JOXXZDLFMIOENC-HSZRJFAPSA-N 393.458 4.805 10 1 GJCF [N-]=[N+]=NCCCN1CCC[C@@H](COC(=O)c2ccccc2-c2ccccc2)C1 82150291 AJSHLWHIUSWBIR-GOSISDBHSA-N 378.476 4.923 10 1 GJCF O=C1C[C@@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@@H](c2ccccc2)C1 17256054 JCRKSTFTQQLWFT-ZRZAMGCNSA-N 380.443 4.983 10 1 GJCF Oc1ccc([C@@H]2CC(c3ccccc3O)=NN2c2ccc(Cl)cc2)cc1O 299828318 IXICFJXYRFZSLI-SFHVURJKSA-N 380.831 4.813 10 1 GJCF Cc1c(CN2CCN(C)CC2)cc(-c2ccc(F)cc2F)n1-c1ccc(F)cc1 36472078 MZKAJYIDFRLFQT-UHFFFAOYSA-N 399.460 4.617 10 1 GJCF COc1ccc(OC)c(-c2ccc(O)c(CNC[C@@H]3C[C@H]4C=C[C@@H]3C43CC3)c2)c1 12208122 KLJGVWUTMKTLBU-KPLVRAHFSA-N 391.511 4.768 10 1 GJCF O=C(Nc1ccccc1)N(Cc1ccc(O)cc1)Cc1cccc(Cl)c1O 45337769 OKZGFLXEHJXCJM-UHFFFAOYSA-N 382.847 4.986 10 1 GJCF CC(=O)OC1CCN([C@@H](c2ccccc2)c2c(O)ccc3ccccc23)CC1 72180864 KZSSKWJEKOBVJP-DEOSSOPVSA-N 375.468 4.662 10 1 GJCF O=C1NC(=S)S/C1=C\c1cc([N+](=O)[O-])ccc1Oc1ccc(Cl)cc1 13586992 GBERTTMWNLKZHB-ZSOIEALJSA-N 392.845 4.529 10 1 GJCF Cc1cc(C)c(O)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587821292 HEWHZKXPOGDCIH-BLVKFPJESA-N 378.285 4.708 10 1 GJCF Oc1cc2c3ccc(O)c(O)c3n(Cc3ccc(C(F)(F)F)cc3)c2cc1O 13737761 FOFQFZUXBYQPBV-UHFFFAOYSA-N 389.329 4.684 10 1 GJCF CC(C)=CCc1c(O)c(O)cc2oc3c4c(cc(O)c3c(=O)c12)O[C@@H](C)C4(C)C 28707605 GIEMQAXHAKGAAH-NSHDSACASA-N 396.439 4.630 10 1 GJCF biogenic Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)cc1)(c1ccc(O)c(O)c1)O2 587377016 FRNJQJKIPJNINI-QFIPXVFZSA-N 395.842 4.551 10 1 GJCF COc1cc2c3c(c1)O[C@@H](c1cc(C)n(-c4ccccc4F)c1C)[C@@H](C2)C3=O 587426143 LRCGGUVTQSDQKZ-SBUREZEXSA-N 377.415 4.731 10 1 GJCF O=c1c2nccn2c2c(n1Cc1ccccc1)-c1cccc(-c3ccccc3)c1C2 299868324 ZVTWLWCHJUZTIN-UHFFFAOYSA-N 389.458 4.783 10 1 GJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Cl)cnc3[nH]1)[C@@H]1CC=C[C@@H]21 587272192 PFFQWNNIFCZLHH-XNJGSVPQSA-N 381.823 4.654 10 1 GJCF CC[C@@]1(c2ccc(N(C)C)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587753740 HZNJUTBPMOCZPG-XCLFUZPHSA-N 391.328 4.842 10 1 GJCF CCOC(=O)CCc1ccc(-c2ccc(OC)cc2)n1-c1ccc(OC)cc1 84616096 UHYIETVUHOUAQP-UHFFFAOYSA-N 379.456 4.657 10 1 GJCF CC(=O)N1c2ccccc2[C@@H]2[C@@H](C[C@@H](N=[N+]=[N-])[C@@H]2O)[C@H]1c1ccc(Cl)cc1 1857640696 KGAYSLAKHXAOOY-BDUQCRIQSA-N 382.851 4.591 10 1 GJCF O=C(c1ccccc1)c1cc2c(s1)C(=O)c1c(Br)cccc1C2=O 653782525 UXARXECEPYCBGB-UHFFFAOYSA-N 397.249 4.517 10 1 GJCF COc1ccc(N2CC[C@]3(C2)c2ccsc2CCN3Cc2ccco2)cc1 962709063 QWIWJVIEYRDXOJ-QFIPXVFZSA-N 380.513 4.514 10 1 GJCF Brc1ccc(C2=NN[C@@H](c3ccc(N4CCCCC4)cc3)C2)s1 103223535 YHJIYRBAMWHNAX-OAHLLOKOSA-N 390.350 4.940 10 1 GJCF CC[C@@]1(c2ccc(F)cc2O)N[C@H](C)Cc2cc(Br)c(F)cc21 587728889 UEXPTORSTNCIJS-MGNBDDOMSA-N 382.248 4.621 10 1 GJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Cl)cc2O)N1 587701915 YGXFYIJUXIPWJO-HUTHGQBESA-N 384.676 4.745 10 1 GJCF Cc1ccc(-n2c(C)cc([C@H]3N[C@H](C(=O)O)Cc4cc(F)ccc43)c2C)c(C)c1 962904141 NNSPOGUSUDLHJA-GMAHTHKFSA-N 392.474 4.538 10 1 GJCF COC(=O)c1ccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2c1 587078407 PTSCNHAHVATLDJ-KSMMKXTCSA-N 379.847 4.829 10 1 GJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cncc(Cl)c3[nH]1)[C@H]1CC=C[C@@H]21 587271526 FAJFOZWTMQMCIT-PEBVRCNWSA-N 381.823 4.654 10 1 GJCF COc1ccccc1-n1c(C)cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1C 587390321 POYBNMLFUGHVAA-QFIPXVFZSA-N 376.456 4.700 10 1 GJCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N(C)C)cc2Cl)N1 587695410 NLCLWYJDADLVQA-XTZNXHDOSA-N 397.719 4.931 10 1 GJCF C[C@H]1Cc2cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)ccc2N1C 587760834 LZQYAPOLJURFEV-XAAFQQQXSA-N 389.312 4.593 10 1 GJCF COc1cc(C)c(O)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587809215 RUUXZAQJLRCGHY-YPMLDQLKSA-N 394.284 4.543 10 1 GJCF Brc1ccsc1C1=NN[C@H](c2ccc(N3CCCCC3)cc2)C1 103223523 OBJJPVDOJZQKOL-INIZCTEOSA-N 390.350 4.940 10 1 GJCF O=C(/N=N\c1c(O)n([C@@H]2OC(=O)c3ccccc32)c2ccccc12)c1ccco1 102293096 DMFOUMKRDVWWBK-UXDFZSADSA-N 387.351 4.581 10 1 GJCF CN(CCO)c1ccc(-c2nc3cc(Sc4ccccc4)ccc3[nH]2)cc1 587192843 GNHRSUIIHQWIRW-UHFFFAOYSA-N 375.497 4.810 10 1 GJCF C[C@H]1Cc2cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)ccc2N1C 587761225 OOQGOADLVGHQMP-JGRMJRGVSA-N 389.312 4.593 10 1 GJCF Cc1cc(O)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C 587822945 RVEMVXNRGTUNGW-CWTRNNRKSA-N 378.285 4.708 10 1 GJCF O=c1oc2ccccc2cc1C1=NN(c2ccccc2)[C@@H](c2ccc(O)cc2O)C1 96932488 VBGMBGSDDWRLFP-OAQYLSRUSA-N 398.418 4.560 10 1 GJCF CCOC(=O)[C@]1(C)C(/N=N/c2ccccc2Cl)=C(O)C(=O)N1c1ccccc1 101724631 HNKMMWNZUCJYTD-UTTYWZDOSA-N 399.834 4.562 10 1 GJCF Cc1cc2[nH]c([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@@H]43)nc2c(C)n1 587276845 OABYROOWBLOPQE-QEEYODRMSA-N 375.432 4.618 10 1 GJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)cc(Cl)c2O)N1 587730690 XMQOFHFMNNZWAK-MLXNANBUSA-N 388.639 4.710 10 1 GJCF CCOC(=O)[C@@]1(C)C(/N=N\c2ccc(Cl)cc2)=C(O)C(=O)N1c1ccccc1 102636052 JAYBTYFNAXCBKH-UXDFZSADSA-N 399.834 4.562 10 1 GJCF O=C1N=C(Nc2ccccc2C(F)(F)F)S/C1=C\c1ccc2c(c1)CCO2 140538159 BLTWRBXFEIHSMD-YBEGLDIGSA-N 390.386 4.723 10 1 GJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(Cl)nc3[nH]1)[C@H]1CC=C[C@@H]21 587271839 JPFMCGFVJHGNTN-PEBVRCNWSA-N 381.823 4.654 10 1 GJCF CCOC(=O)[C@@]1(C)C(/N=N\c2cccc(Cl)c2)=C(O)C(=O)N1c1ccccc1 102658037 OMKNGPROZOYFFI-UXDFZSADSA-N 399.834 4.562 10 1 GJCF CC(C)c1ccc([C@@H]2CC(c3ccc(O)cc3)=NN2C(=O)c2cccnc2)cc1 1772654907 IUFDMDGSWNKDAW-QHCPKHFHSA-N 385.467 4.902 10 1 GJCF Oc1c(CN2CCCC2)cc(Cn2ccc3cc(F)ccc32)c2cccnc12 1857645953 LXBHCIACGMJIMS-UHFFFAOYSA-N 375.447 4.678 10 1 GJCF CCCNCc1cc2c(cc1O)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3 45319798 XCNXSKUANFFFIK-QQKQFIJSSA-N 382.592 4.750 10 1 GJCF COc1ccc(C2=N[C@@H](c3ccccc3OC)N[C@H](c3ccccc3O)C2)cc1 53362960 NWXCKWDMRABXRQ-XUZZJYLKSA-N 388.467 4.632 10 1 GJCF COc1cc(C)c(O)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587809210 RUUXZAQJLRCGHY-MGNBDDOMSA-N 394.284 4.543 10 1 GJCF CCCOc1ccc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)c(C)c1 1772580218 NKNHXPOIPXMSCM-FDDCHVKYSA-N 396.531 4.639 10 1 GJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccnc(Cl)c3[nH]1)[C@@H]1CC=C[C@@H]21 587273037 ZAZAJSPGOAXZOZ-HSMVNMDESA-N 381.823 4.654 10 1 GJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc([N+](=O)[O-])cc3[nH]1)[C@@H]1CC=C[C@@H]21 587277411 VPJMHTBRAIQPNS-LPMFXHHGSA-N 391.387 4.514 10 1 GJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(Cl)c2O)N1 587696970 VJVYLRQOIQKTLV-HUTHGQBESA-N 384.676 4.745 10 1 GJCF CC[C@]1(c2cc(F)ccc2O)N[C@H](C)Cc2cc(Br)c(F)cc21 587732495 NMIURRRPTABADJ-MGNBDDOMSA-N 382.248 4.621 10 1 GJCF Cc1ccc(-n2c(C)cc([C@@H]3NC[C@H]4CC(=O)N(C)c5cccc3c54)c2C)cc1C 963036278 XBXILGGTZPWTSU-NIYFSFCBSA-N 399.538 4.854 10 1 GJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)cc(F)c2O)N1 587716866 FBFLOOJHOGLXFR-ZIDLFYJRSA-N 388.639 4.710 10 1 GJCF CCOC(=O)[C@@]1(C)C(/N=N/c2ccccc2Cl)=C(O)C(=O)N1c1ccccc1 101724635 HNKMMWNZUCJYTD-QAHCAUCSSA-N 399.834 4.562 10 1 GJCF COc1cc2c(cc1OC)[C@H](c1c(O)cc(C(F)(F)F)cc1F)N(C)[C@@H](C)C2 962638168 OXECNMGPYGPKDS-APBUJDDRSA-N 399.384 4.533 10 1 GJCF C[C@@]1(c2cc(Br)c(F)cc2O)c2c(F)cccc2C[C@@H]2CCCN21 963117691 XOWQPLFQSZSQTQ-HXPMCKFVSA-N 394.259 4.717 10 1 GJCF COc1cc(/C=C/c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc(O)c1O 587784698 CHKBVFUEOHVEMK-NSCUHMNNSA-N 384.741 4.825 10 1 GJCF NC[C@@H](Cc1ccc(Cl)cc1)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587071241 XUMQFLARHFGCMN-OAHLLOKOSA-N 392.890 4.876 10 1 GJCF CC[C@@]1(c2cc(C)ccc2O)N[C@H](C)Cc2cc(Br)c(F)cc21 587819929 CEBNSAFDKRGBCA-CWTRNNRKSA-N 378.285 4.790 10 1 GJCF COC(=O)[C@]12CCCC(C)(C)[C@@H]1C[C@@H](OC)c1cc(C(C)C)c(O)c(O)c12 1857591212 CBMYMGVEDZJJKH-ZMPRRUGASA-N 376.493 4.550 10 1 GJCF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587042926 NRORRPHVSUCQSS-GOSISDBHSA-N 396.516 4.558 10 1 GJCF CCc1cc(C(=O)N=Nc2c(O)[nH]c3ccc([N+](=O)[O-])cc23)c2ccccc2n1 253979571 XELOJBOAXDYZJW-UHFFFAOYSA-N 389.371 4.816 10 1 GJCF COc1ccc([C@H]2CC(c3ccccc3O)=NN2C(=O)Oc2ccccc2)cc1 96937647 RNCGDYFDZJIQTQ-OAQYLSRUSA-N 388.423 4.751 10 1 GJCF COc1cc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@@H]43)[nH]c2cc1C 587277486 WWWGJZPXVSFYSK-VFCRVFHLSA-N 390.443 4.923 10 1 GJCF COc1cc(/C=C/c2nc3cccc(OCc4ccccc4)c3[nH]2)cc(O)c1O 587786331 SMOFHNWWCNSNJS-ZHACJKMWSA-N 388.423 4.732 10 1 GJCF COc1cc(/C=C/c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc(O)c1O 587787112 ZTGPSTTXPISKIN-NSCUHMNNSA-N 384.741 4.825 10 1 GJCF CCOC(=O)C1=C(O)/C(=C\c2cc(C)n(-c3cc(C)ccc3OC)c2C)N=C1C 103541710 PSRHWRAUEWRSSW-LDADJPATSA-N 394.471 4.602 10 1 GJCF CCN1CCc2cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)ccc21 587768004 SLXIDNCAPZEHIY-ODXCJYRJSA-N 389.312 4.594 10 1 GJCF O=C(/C=C/c1ccc(O)c2oc(-c3ccc(O)c(O)c3)cc12)Nc1ccccc1 1857653525 LXLBECFUTDHYKI-DHZHZOJOSA-N 387.391 4.869 10 1 GJCF O=C(O)COc1cccc(CCc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1 13727467 ZZEMCPSIAITLLC-UHFFFAOYSA-N 398.462 4.992 10 1 GJCF C[C@@H]1C(=O)[C@@H](C)[C@@H](c2cc(Cl)ccc2O)N[C@@H]1c1cc(Cl)ccc1O 34859717 YBLSMVRDZNJMBC-IDFFQHIHSA-N 380.271 4.632 10 1 GJCF CC[C@]1(c2ccc(C)cc2O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587822405 NUSAAMVNGXGUIS-HXPMCKFVSA-N 378.285 4.790 10 1 GJCF CN1c2ccc(C3=CCCCC3)cc2[C@@H]2[C@@H](CCN2C(=O)C2CCCC2)[C@H]1CO 95878685 ZEXPUDQWFJLGCR-ZTCOLXNVSA-N 394.559 4.535 10 1 GJCF CC[C@]1(c2cc(F)ccc2O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587728018 CNKKASHNWQDHTG-XTZNXHDOSA-N 382.248 4.621 10 1 GJCF CCCOc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587793472 MYOMTFNEKLVRLB-NSPYISDASA-N 394.284 4.706 10 1 GJCF Cc1ccc([C@@H]2N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)n1-c1ccccc1 962773818 XZVXBNJMYBMCRN-UYAOXDASSA-N 384.401 4.521 10 1 GJCF Cc1cc(C)c([C@@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)c(O)c1 962949736 CVPHGMFICWHCLT-FQEVSTJZSA-N 391.433 4.769 10 1 GJCF Cc1cc2c(cc1C)-c1oc(C(=O)Nc3ccc(F)cc3)c(C)c1C(=O)C2=O 1857749879 YBGJXOVLLSENDI-UHFFFAOYSA-N 377.371 4.642 10 1 GJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(Cl)c2O)N1 587696973 VJVYLRQOIQKTLV-VVVCHXIZSA-N 384.676 4.745 10 1 GJCF O=C1c2ccccc2C(=O)c2c1cc(Sc1cccs1)c1nsnc21 219741227 PPCGIZKLQCZSQI-UHFFFAOYSA-N 380.475 4.679 10 1 GJCF COc1cc(C2=NN(C(=O)Oc3ccccc3)[C@H](c3ccccc3)C2)ccc1O 653737613 KQLSQVZEGAIHJB-FQEVSTJZSA-N 388.423 4.751 10 1 GJCF CCCCN1CCc2c(c(O)c(OC)c3c2ccc2cc(O)c(OC)cc23)C1 39097853 XLVUNDMFFLQJMP-UHFFFAOYSA-N 381.472 4.580 10 1 GJCF in-vivo COc1ccc2ccn(Cc3cc(CN4CCCC4)c(O)c4ncccc34)c2c1 1857647039 SFNGNCYGXDYRGO-UHFFFAOYSA-N 387.483 4.548 10 1 GJCF COC(=O)c1cc(Br)c2[nH]c(CCCCCCN=[N+]=[N-])nc2c1 587260647 XSQUVWCJXNDAGK-UHFFFAOYSA-N 380.246 4.525 10 1 GJCF Oc1c([C@@H](Nc2ncccn2)c2ccccc2F)cc(Cl)c2cccnc12 1772580691 XPWWGHMNJRDGDO-KRWDZBQOSA-N 380.810 4.724 10 1 GJCF COc1cccc2c(-c3ccc4c(c3O)[C@@H](C)N[C@@H](C)C4)c(O)cc(OC)c12 2356709321 YLKXTMUWAMSTTA-QWHCGFSZSA-N 379.456 4.530 10 1 GJCF Cc1cc(Cl)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O 587698453 QFEISEXLUKZLCP-XXFAHNHDSA-N 384.676 4.879 10 1 GJCF O=C1C[C@@](c2ccccc2)(c2ccc(O)c(O)c2)Oc2c1ccc1c2CCCC1 587529844 FIUBACRYQCPVNR-RUZDIDTESA-N 386.447 4.886 10 1 GJCF Cc1ccc([C@@H]2CC(c3cc(Cl)ccc3O)=NN2C(=O)c2ccco2)cc1 299840263 WNTQDUCVTGWJKH-SFHVURJKSA-N 380.831 4.939 10 1 GJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(F)c(F)cc3[nH]1)[C@H]1CC=C[C@H]21 587276862 OGCAADUJMCYIHT-ZKTNFTSUSA-N 382.370 4.884 10 1 GJCF Brc1ccccc1NCCCn1c2c(c3ccccc31)CCNC2 1857568536 XZXUXHNTYMEVCT-UHFFFAOYSA-N 384.321 4.552 10 1 GJCF COC(=O)c1c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc2n1C 587515104 JIXNSHGKCQULNV-FQEVSTJZSA-N 389.451 4.550 10 1 GJCF CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)c2nc3ccccc3[nH]2)cc1 103173645 XFUUEHMLDBFENZ-CJLVFECKSA-N 382.467 4.557 10 1 GJCF CCOC(=O)c1cc(Br)c2[nH]c(CCCCCCN=[N+]=[N-])nc2c1 587259151 AQBFAUSHEZPRNO-UHFFFAOYSA-N 394.273 4.915 10 1 GJCF COc1ccc(N2CCC3(CC2)CC(=O)c2ccc4c(c2O3)CCCC4)cc1 587515178 QXUUXHIPCHLVFT-UHFFFAOYSA-N 377.484 4.578 10 1 GJCF COc1ccc(-c2ccc(O)c([C@@H]3c4ccc(F)cc4C[C@@H]4CCCN43)c2)cn1 963116455 XJHAOWJRPNCVIM-CYFREDJKSA-N 390.458 4.712 10 1 GJCF COc1ccc([C@@H]2Sc3ccccc3-n3c(CN4CCOCC4)ccc32)cc1 13651950 ITLDTMVIVXQASZ-QHCPKHFHSA-N 392.524 4.513 10 1 GJCF CCC(CC)CN1C(=O)S/C(=C\c2cc(O)c(O)c(C(F)(F)F)c2)C1=O 84728354 QZGJAIIJPSYTJI-QPEQYQDCSA-N 389.395 4.589 10 1 GJCF CN(c1ccccc1Nc1c2ccccc2nc2ccccc12)S(C)(=O)=O 5140760 YRKAETCECNTJBU-UHFFFAOYSA-N 377.469 4.527 10 1 GJCF CCCn1c(O)c(/N=N/C(=O)c2cccnc2)c2cc(Br)ccc21 101724025 GGQUJVFIKJYUSM-QZQOTICOSA-N 387.237 4.839 10 1 GJCF CCN1CCc2cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)ccc21 587769117 XAOGLLVFPVSCOY-MPBGBICISA-N 389.312 4.594 10 1 GJCF CCN(C)c1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587742468 RNRCPXDTLYBNEM-BLVKFPJESA-N 377.301 4.668 10 1 GJCF CC1(C)CC(=O)c2cc(-c3ccc(F)cc3)n(-c3cc(O)cc(C(=O)O)c3)c2C1 587927366 UCKWPRIREAVFEG-UHFFFAOYSA-N 393.414 4.842 10 1 GJCF COc1ccc2c(c1)[C@](C)(c1cc(C(F)(F)F)ccc1O)N(C(C)C)CC2 962090604 LWKRWDABVXOTRN-HXUWFJFHSA-N 379.422 4.950 10 1 GJCF CN(c1ccc(Nc2c3ccccc3nc3ccccc23)cc1)S(C)(=O)=O 5140739 AHTUOFVSFITANV-UHFFFAOYSA-N 377.469 4.527 10 1 GJCF COc1cc(/C=C/c2nc3ccc(OCc4ccccc4)cc3[nH]2)cc(O)c1O 587786453 UHRSTPOVMLNROL-JXMROGBWSA-N 388.423 4.732 10 1 GJCF Cc1cc(C)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587819585 BGGOQLZJFHFSDJ-BUXKBTBVSA-N 378.285 4.708 10 1 GJCF COc1cccc2c(-c3c(O)cc(O)c4c3C[C@@H](C)N[C@@H]4C)c(C)cc(O)c12 95486195 FOCDXOFHJIRQRW-CHWSQXEVSA-N 379.456 4.536 10 1 GJCF biogenic,in-vitro COc1ccccc1N1CN2C(=C(O)[C@H]1c1ccccc1O)Nc1ccccc12 169328938 VGXHJAQPXNPJKF-OAQYLSRUSA-N 387.439 4.579 10 1 GJCF Nc1ccc(Oc2ccc3nc(/C=C/C(=O)Nc4ccc(F)cc4)[nH]c3c2)cc1 587166740 HVNKEHNJPJPFCF-VAWYXSNFSA-N 388.402 4.728 10 1 GJCF Cc1cc(O)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C 587822943 RVEMVXNRGTUNGW-BLVKFPJESA-N 378.285 4.708 10 1 GJCF CN(C)c1ccc(N=Nc2ccc(-c3nc4cc(C(N)=O)ccc4[nH]3)cc2)cc1 587195443 KLDDIEWPJZNVGO-UHFFFAOYSA-N 384.443 4.810 10 1 GJCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(F)cc(F)c3[nH]1)[C@H]1CC=C[C@H]21 587277211 QSASEHJYANCLNA-LXIYXOSZSA-N 382.370 4.884 10 1 GJCF COc1ccc(OC)c(-c2ccc(O)c(CNC[C@H]3C[C@@H]4C=C[C@@H]3C43CC3)c2)c1 101912849 KLJGVWUTMKTLBU-LZNRXBQRSA-N 391.511 4.768 10 1 GJCF COC(=O)c1cc2c(c(O)c1O)O[C@]1(C2)[C@H](C)CC[C@H]2C(C)(C)CCC[C@]21C 2356533719 QOJXSCYJHFCUEV-FRALDWEZSA-N 388.504 4.821 10 1 GJCF C[C@H](COC(=O)c1cc(NCc2cc(O)ccc2O)ccc1O)CC(C)(C)C 13735416 HVEMMWIZVGSFPL-AWEZNQCLSA-N 387.476 4.645 10 1 GJCF COc1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@H]43)[nH]c2c1 587276866 OHQRXKHYUCGCCL-STXHMFSFSA-N 376.416 4.615 10 1 GJCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Cl)cc2O)N1 587693010 BWDLJSHNBVAXBY-VVVCHXIZSA-N 384.676 4.745 10 1 GJCF Cc1cccc(-n2c(-c3ccc(F)cc3)cc(CN3CCN(C)CC3)c2C)c1 36471726 PSLILFTYKWTUAD-UHFFFAOYSA-N 377.507 4.648 10 1 GJCF COC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OC(C)C)cc3)C2)cc1 1772577349 YIWAINWZIZEDCV-HTAPYJJXSA-N 398.503 4.549 10 1 GJCF COc1cc(C)c(-c2c(O)cc(O)c3c2C[C@H](C)N(C)[C@H]3C)c2cccc(O)c12 2356709099 OXCYAWQTEUVBOF-KBPBESRZSA-N 393.483 4.878 10 1 GJCF Cc1nn(-c2ccccc2)c(O)c1/N=N/c1c(O)cc(C(=O)O)c2ccccc12 13864621 KUTRRPVYRGOADF-GHVJWSGMSA-N 388.383 4.859 10 1 GJCF CC(C)=CCc1cc(O)c(O)c2oc3cc4c(c(O)c3c(=O)c12)C=CC(C)(C)O4 299833240 NLPCIKWXJPLCOY-UHFFFAOYSA-N 394.423 4.756 10 1 GJCF CC[C@]1(c2cccc(Cl)c2O)c2cc(OC)c(OC)cc2C[C@H](C)N1C 962627014 KHUJCFPYFPTFTH-ZSEKCTLFSA-N 375.896 4.593 10 1 GJCF CCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 5138457 GUCUZGMANMLVPN-UHFFFAOYSA-N 377.469 4.893 10 1 GJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(c2)CCCN3C)N1 587768682 VRVOONBNDIPZFH-FKIZINRSSA-N 389.312 4.594 10 1 GJCF C[C@]1(c2cccc(Cl)c2O)NC2(CC2)Cc2ccc(Br)cc21 961753980 YYOCBKDIHBDPDU-QGZVFWFLSA-N 378.697 4.750 10 1 GJCF CCCC(=O)c1cnc2c(OC)cccc2c1Nc1ccc(O)c(CN(C)C)c1 26659024 XMEXFGKWONYRIU-UHFFFAOYSA-N 393.487 4.737 10 1 GJCF O=C1c2ccccc2C(=O)c2c1ccc1c(=O)c3c(ccc4ccccc43)[nH]c21 5422381 UYDYTUHDRBBLFB-UHFFFAOYSA-N 375.383 4.610 10 1 GJCF biogenic CC=CC=C(C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)cccc1C3=O 2356542421 ZXIQVHNSLVXOKG-UHFFFAOYSA-N 386.403 4.562 10 1 GJCF COc1ccc2c(c1)[C@@](C)(c1cc(C(F)(F)F)ccc1O)N(C(C)C)CC2 962090600 LWKRWDABVXOTRN-FQEVSTJZSA-N 379.422 4.950 10 1 GJCF COc1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@H]43)[nH]c2c1 587276864 OHQRXKHYUCGCCL-BXTJHSDWSA-N 376.416 4.615 10 1 GJCF CSc1nccc(-c2c(-c3ccc(F)cc3)[nH]c3c(C(=O)O)cccc23)n1 587638030 JYBXHSOSDHBLIJ-UHFFFAOYSA-N 379.416 4.851 10 1 GJCF CC[C@@]1(c2ccc(F)cc2O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587725183 BXWJTYWKRGQDNC-YPMLDQLKSA-N 382.248 4.621 10 1 GJCF CCCOc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587793476 MYOMTFNEKLVRLB-WYRIXSBYSA-N 394.284 4.706 10 1 GJCF COc1cccc(OC)c1[C@H]1CCCC(=O)N1Cc1ccc(N2CCCC2)cc1 167769976 BQIQZZPODIQMRY-HXUWFJFHSA-N 394.515 4.558 10 1 GJCF Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1N(C)C 587754808 LCSALCAZRPDBEW-BLVKFPJESA-N 377.301 4.586 10 1 GJCF Oc1ccccc1C1=NN(C(=S)Nc2ccccc2)[C@H](c2ccccc2O)C1 29045222 PEORMINJHZISKH-IBGZPJMESA-N 389.480 4.646 10 1 GJCF O=C1c2ccccc2C(=O)c2c1ccc1nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c21 586885236 AQJBAOWWZSLFBE-AFMDSPMNSA-N 390.442 4.710 10 1 GJCF C/C=C\C=C(/C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)cccc1C3=O 85594006 ZXIQVHNSLVXOKG-HCRNJAACSA-N 386.403 4.562 10 1 GJCF COc1ccc(-n2c(C)cc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c2C)cc1 587391757 YKVOYPCYLMRIHW-JOCHJYFZSA-N 376.456 4.700 10 1 GJCF C[C@]1(c2cc(Br)c(F)cc2O)c2c(F)cccc2C[C@@H]2CCCN21 963117686 XOWQPLFQSZSQTQ-BUXKBTBVSA-N 394.259 4.717 10 1 GJCF Oc1ccc(C2=NN(C(=S)Nc3ccccc3)[C@H](c3ccc(O)cc3)C2)cc1 29043919 LGXVPDXUHWGOGM-NRFANRHFSA-N 389.480 4.646 10 1 GJCF O=C(C(=O)c1ccccc1C(=O)N1CCCCC1)c1ccc(Cl)c(Cl)c1 40764130 YXIPQHLOIRFITE-UHFFFAOYSA-N 390.266 4.685 10 1 GJCF COc1cc(Cl)ccc1-c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587066246 LHHXNIXCZGJEMM-UHFFFAOYSA-N 388.810 4.667 10 1 GJCF COC(=O)c1cc(C[C@]2(C)[C@H](C)CC[C@@]3(C)C(C)=CCC[C@@H]32)c(O)c(O)c1O 2356380269 YGSUREOWDQUWGU-OQUCYHQFSA-N 388.504 4.931 10 1 GJCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCCC3)cc2)N1 587765599 KLQDKZKRJRDBSZ-ZUOKHONESA-N 389.312 4.812 10 1 GJCF Cc1ccc(NC(=S)N2N=C(c3ccc(O)cc3)C[C@H]2c2ccco2)cc1 45335903 BPDSDKINEJPCTC-IBGZPJMESA-N 377.469 4.842 10 1 GJCF CC(C)=CCc1c2c(c3oc4c(O)c(O)ccc4c(=O)c3c1O)C=CC(C)(C)O2 96085678 NMZYXFLWKXLXAQ-UHFFFAOYSA-N 394.423 4.756 10 1 GJCF in-vitro Cc1ccc2c3c(cc(CCc4ccc(O)c(O)c4)nc13)-c1ccccc1C2=O 587102537 WZFMWPWYNBOPPV-UHFFFAOYSA-N 381.431 4.951 10 1 GJCF O=C1C(=O)[C@H](c2ccc(NC3CCCC3)c(O)c2)Oc2c1ccc1ccccc21 957674605 LHFDHHOJEQDTLX-QHCPKHFHSA-N 387.435 4.785 10 1 GJCF Cc1cc(C2=NN(C(=O)c3ccncc3)[C@@H](c3ccc(Cl)cc3)C2)ccc1O 35013060 SUDCPFDNHVXWEY-HXUWFJFHSA-N 391.858 4.741 10 1 GJCF C[C@H](Oc1ccccc1)C(=O)/N=N/c1c(O)[nH]c2ccc(Br)cc12 96901632 DJUPBMMFTVNSHA-KWDUWWDHSA-N 388.221 4.714 10 1 GJCF CCc1ccc(O)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587820400 CWDUMFJOSPOIDR-JEOXALJRSA-N 378.285 4.654 10 1 GJCF CN(C)c1ccc([C@@H]2CC(c3ccc4c(c3)OCCO4)=NN2c2ccccc2)cc1 653912923 XYBLZFUVTDZOBZ-QHCPKHFHSA-N 399.494 4.880 10 1 GJCF COc1cc(C)cc2c(-c3c(O)cc(O)c4c3C[C@@H](C)N[C@@H]4C)c(C)cc(O)c12 95486143 QWEIHUARSAMIEW-ZIAGYGMSSA-N 393.483 4.844 10 1 GJCF biogenic,in-vitro CCOC(=O)C1=C(C)N=C2Sc3ccccc3N2[C@H]1c1ccc(N(C)C)cc1 103212754 FEWUNIPESAYXJV-FQEVSTJZSA-N 393.512 4.613 10 1 GJCF CCOC(=O)CCc1ccc(-c2ccc(OC)cc2)n1-c1ccc(O)cc1C 84604063 YCDAXIPPWMQOJU-UHFFFAOYSA-N 379.456 4.663 10 1 GJCF Cc1ccc([C@H]2N=C(c3ccc4c(c3)OCO4)C[C@@H](c3ccccc3O)N2)cc1 53363241 MGVYUAIJJICLBX-RDPSFJRHSA-N 386.451 4.652 10 1 GJCF Nc1ccc(Oc2ccc3nc(-c4cnc5c(F)cccc5c4N)[nH]c3c2)cc1 587176219 HWKIRNOMNGHSIL-UHFFFAOYSA-N 385.402 4.874 10 1 GJCF CCN(CC)c1ccc([C@H]2c3cc(OC)ccc3CCN2CCCOC)cc1 961315368 BWOUBPFIUONMRM-DEOSSOPVSA-N 382.548 4.525 10 1 GJCF C[C@H](NC(=O)C1CC1)c1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1 149929416 XGKJIRMQTUVRSU-KRWDZBQOSA-N 390.527 4.666 10 1 GJCF C/C(=C\CC[C@]1(C)C=Cc2cc(CCc3cccc(O)c3O)ccc2O1)CO 263637451 MYFQBSFOYRALBJ-SDLZPTJBSA-N 380.484 4.766 10 1 GJCF C[C@@]1(c2ccc(O)c(CN3CCCC3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587515562 VBEZRYONSOMTAZ-VWLOTQADSA-N 391.511 4.747 10 1 GJCF C[C@@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(c1ccccc1)CCN2CCc1ccc(N)cc1 169314771 KNYMXYHIQUFFKH-MERSGSKISA-N 398.550 4.770 10 1 GJCF CC[C@]1(c2cc(C)ccc2O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587820857 FYKILHSXKCPKGN-HXPMCKFVSA-N 378.285 4.790 10 1 GJCF COc1ccc2c(c1OC)[C@H](c1ccc(N3CCCCC3)cc1)N(C)[C@@H](C)C2 962628100 OFSYQCOUECYYAL-SBUREZEXSA-N 380.532 4.660 10 1 GJCF Nc1ccc(Oc2ccc3nc(C4(O)CCC(C(F)(F)F)CC4)[nH]c3c2)cc1 587125923 HKQLYJSNLNPMSL-UHFFFAOYSA-N 391.393 4.878 10 1 GJCF CCc1ccc(O)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587820404 CWDUMFJOSPOIDR-NSPYISDASA-N 378.285 4.654 10 1 GJCF COC(=O)c1cc(-c2[nH]c3c(C(=O)O)cccc3c2-c2ccc(Cl)cc2)c[nH]1 587638585 NYWVSWKDINFXEN-UHFFFAOYSA-N 394.814 4.968 10 1 GJCF Oc1ccccc1CNCCNc1c2c(nc3cc(Cl)ccc13)CCCC2 95562446 HTFBKDDAHNIJIM-UHFFFAOYSA-N 381.907 4.674 10 1 GJCF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(-c3ccc(F)cc3F)c1C)O2 587386608 VKUZNYPBZRMSGK-OAQYLSRUSA-N 382.410 4.969 10 1 GJCF Cc1cc(O)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cl 587695341 RPPJRDDAIHTICC-HUTHGQBESA-N 384.676 4.879 10 1 GJCF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3cc(Oc4ccc(N)cc4)ccc3[nH]2)cc1 587783789 AJVNUSYSKWNFEV-VQTJNVASSA-N 399.450 4.881 10 1 GJCF CC(C)c1ccc([C@H]2CC(c3ccc(O)cc3)=NN2C(=O)c2cccnc2)cc1 1772654906 IUFDMDGSWNKDAW-HSZRJFAPSA-N 385.467 4.902 10 1 GJCF CN1c2ccc(C3=CCCCC3)cc2[C@H]2[C@H](CCN2C(=O)C2CCCC2)[C@@H]1CO 95878684 ZEXPUDQWFJLGCR-FGCOXFRFSA-N 394.559 4.535 10 1 GJCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)cc(Cl)c2O)N1 587730692 XMQOFHFMNNZWAK-ZIDLFYJRSA-N 388.639 4.710 10 1 GJCF