smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COC(=O)c1ccc(Cl)c2c1[C@H]1C=CC[C@@H]1[C@@H](c1cccc3ccccc13)N2 12629738 HWGSLBXHTZZQOT-SGXKBVARSA-N 389.882 6.106 10 1 GKCF Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccccc1F 587504121 MVFNLVAYFQQIBD-DEOSSOPVSA-N 389.470 5.819 10 1 GKCF CC1(C)CC(=S)C2=C(C1)Oc1ccc3ccccc3c1[C@@H]2c1cccs1 103272307 SZFSIEWZZSIFQO-QFIPXVFZSA-N 376.546 6.870 10 1 GKCF Cc1cc(-c2csc(-c3cccc(C(=O)O)c3)n2)c(C)n1-c1ccccc1F 587922035 HJHQFRKYNURNJU-UHFFFAOYSA-N 392.455 5.722 10 1 GKCF CC(C)=CCC/C(C)=C/Cc1c(O)cc(O)cc1/C=C/c1ccc(O)c(O)c1 103239304 JKWYJCNTEZMDFA-UKNPCATOSA-N 380.484 5.915 10 1 GKCF C[C@@H](c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1)c1ccccc1C(F)(F)F 587098094 NIEOTSBUTLSECF-CYBMUJFWSA-N 397.400 6.108 10 1 GKCF Cc1cnc(Cl)c2nc(-c3ccc(N=Nc4ccc(N(C)C)cc4)cc3)[nH]c12 587196032 PCKMVFSKHOAKLZ-UHFFFAOYSA-N 390.878 6.068 10 1 GKCF Cc1c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2n1C 587755133 OIZBGAYAGJMZON-GIPWTMENSA-N 387.296 5.012 10 1 GKCF Nc1ccc(Oc2ccc3nc(/C=C\c4cccc(Cl)c4Cl)[nH]c3c2)cc1 587053969 JRBRZHGQBNGGKS-WCIBSUBMSA-N 396.277 6.415 10 1 GKCF C[C@H]1C(=CCOC(=O)C=Cc2ccc(O)c(O)c2)CC[C@]2(C)[C@H](C)CC[C@]12C 2356389589 AFTXHVWTXMMGNO-UOIPHLHCSA-N 384.516 5.453 10 1 GKCF COc1cc(/C=C/c2ccc(NCc3cccc(OC)c3O)cc2)cc(OC)c1 96928145 XAEYLUMYTBYZIS-BQYQJAHWSA-N 391.467 5.201 10 1 GKCF COc1cc2c3c(c1)O[C@H](c1cc(N=Nc4ccccc4)ccc1O)[C@@H](C2)C3=O 587428592 KLOCPYCXHMQUDP-FDDCHVKYSA-N 386.407 5.305 10 1 GKCF CC(C)COC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2 4406193 MSASTMHEDHIUQX-IPJJNNNSSA-N 381.903 5.979 10 1 GKCF CN(CCC=C1c2ccccc2CCc2ccccc21)[C@@H]1CCCC[C@@H]1C(=O)O 299864775 MTSIDGAVICKWLM-LOSJGSFVSA-N 389.539 5.182 10 1 GKCF CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1cc(Cl)cc(Cl)c1O 95559723 QZIRALZJVHROSH-INIZCTEOSA-N 383.662 5.050 10 1 GKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4nc(Cl)ncc4[nH]3)cc2)cc1 587195358 IEERAWPKDHYYHC-UHFFFAOYSA-N 377.839 5.155 10 1 GKCF CC(=O)Nc1c(C)cc(C)c2c1C(=O)C(=O)c1c(-c3ccc(Cl)cc3)coc1-2 45288213 CAXCPHSSNRLTQC-UHFFFAOYSA-N 393.826 5.221 10 1 GKCF COc1cc2c(/C=C3/C(=O)Nc4cc(Cl)ccc43)c(Cl)n(C)c2cc1C 58583487 CEMQYMLOJAKNFY-OVCLIPMQSA-N 387.266 5.295 10 1 GKCF Oc1c([C@@H](Nc2ccccn2)c2ccc(F)cc2F)cc(Cl)c2cccnc12 1772656496 DXWNVCUVNTUYTI-IBGZPJMESA-N 397.812 5.469 10 1 GKCF COc1ccc(C(=O)N=Nc2c3ccccc3n3c(O)c4ccccc4nc23)cc1 617960328 DKWWQDWLUIPUBS-UHFFFAOYSA-N 396.406 5.279 10 1 GKCF Cc1cc(-c2csc(-c3cccc(C(N)=O)c3)n2)c(C)n1-c1ccccc1F 587922496 PGUZNNPVKMFXKJ-UHFFFAOYSA-N 391.471 5.123 10 1 GKCF COc1ccc(/N=[N+](\[O-])c2ccccc2/[N+]([O-])=N/c2ccc(OC)cc2)cc1 45201619 JCVUHKHOKPOGGF-SXAUZNKPSA-N 378.388 5.555 10 1 GKCF Nc1ccc(Oc2ccc3[nH]c(-c4ccc(-c5nccs5)cc4)nc3c2)cc1 587022954 AGZYQKLGWCCLTD-UHFFFAOYSA-N 384.464 5.728 10 1 GKCF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587950788 CLMZELYCDCLDIB-VPKVUBIPSA-N 379.504 5.984 10 1 GKCF C[C@H]1CCc2sc(-c3nc4c5c(ccc4[nH]3)C(=O)c3ccccc3C5=O)cc2C1 587033209 HDVRCWDJZSMNQG-LBPRGKRZSA-N 398.487 5.192 10 1 GKCF Nc1ccc(Oc2ccc3nc(/C=C\c4cccc5ccccc45)[nH]c3c2)cc1 587969460 TXXBFWGFYMELOV-NVNXTCNLSA-N 377.447 6.261 10 1 GKCF COc1cccc2c(-c3ccc4c(c3O)[C@H](C)N[C@H](C)C4)c(C)cc(OC)c12 3872314 MXIZZLBQRBAZEX-CABCVRRESA-N 377.484 5.133 10 1 GKCF biogenic O=C1C[C@@H](c2cc(N=Nc3ccccc3)ccc2O)Oc2c1ccc1c2CCCC1 587508628 WRHUCPZNRJRDMJ-DEOSSOPVSA-N 398.462 6.393 10 1 GKCF C[C@@H]1CC[C@]2(C)[C@H](C)C(=CCOC(=O)C=Cc3ccc(O)c(O)c3)CC[C@@]12C 2356389587 AFTXHVWTXMMGNO-HPCCJCSGSA-N 384.516 5.453 10 1 GKCF CC[C@@H](C)n1cc(Cl)c(-c2nc3cc(Oc4ccc(N)cc4)ccc3[nH]2)n1 587080655 XGFKFXCJSMXYGK-GFCCVEGCSA-N 381.867 5.425 10 1 GKCF Cc1c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n(C)c2ccccc12 587759284 ZVPYJKDQRUUZCP-WLRWDXFRSA-N 387.296 5.012 10 1 GKCF CCc1cc(-c2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)ccn1 587922256 MPZBFKJZXMDEMJ-UHFFFAOYSA-N 377.488 5.981 10 1 GKCF O=C(Nc1ccccc1)N(Cc1ccc(F)cc1)Cc1cccc(Cl)c1O 45336791 LEJHECNHNIKBPL-UHFFFAOYSA-N 384.838 5.419 10 1 GKCF CC[C@H](Oc1ccc(Nc2c3ccccc3nc3c(C)cccc23)cc1)C(=O)O 169322393 VITSTVXGTJKBFQ-NRFANRHFSA-N 386.451 5.682 10 1 GKCF Cc1cc(C)nc(N=Nc2c(O)n(Cc3ccc(Cl)cc3)c3ccccc23)n1 253953396 ZWZHUUPFBHRHCK-UHFFFAOYSA-N 391.862 5.871 10 1 GKCF Cc1ccc(S(=O)(=O)N=NC=C2c3ccccc3N(C)c3ccccc32)cc1 377841286 JOLIXFJVLMXCAU-UHFFFAOYSA-N 389.480 5.307 10 1 GKCF CC1=C(O)[C@](C)(CCCCC[C@H](C)CCCCc2ccc(O)c(O)c2)OC1=O 2356840994 NDMXTVSFATUCSK-HJPURHCSSA-N 390.520 5.545 10 1 GKCF Oc1ccc2ccccc2c1C/N=N/c1nnc(-c2ncc[nH]2)c2ccccc12 169688287 AMBYGKXBIIOKSC-IMVLJIQESA-N 380.411 5.163 10 1 GKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4c5c(ccc4[nH]3)CCCC5)cc2)cc1 587194854 CGCZIWHQOBTFNN-UHFFFAOYSA-N 395.510 6.590 10 1 GKCF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587950785 CLMZELYCDCLDIB-LDJQZATESA-N 379.504 5.984 10 1 GKCF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1ccc(F)c(Br)c1O 963241183 MGRHVMMVDPJTCT-KPZWWZAWSA-N 378.285 5.040 10 1 GKCF Cc1ccc(-c2ccc(C)n2-c2ccc(-c3nc4ccccc4s3)cc2)cc1 96932998 RWWQGBROSAMUQE-UHFFFAOYSA-N 380.516 7.038 10 1 GKCF Cc1cccc(-n2c(C)cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2C)c1 587512393 NJNUVWSSOWOOOR-VWLOTQADSA-N 385.507 5.988 10 1 GKCF O=C(O)CCCCOc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 26840246 MKXYPUCXPNCLAQ-UHFFFAOYSA-N 386.451 5.765 10 1 GKCF COc1cc(-c2ccc3c(c2)NC(=O)/C3=C\c2c[nH]c3c(C)cccc23)ccc1O 14956251 NUQXEQOUSDHNEY-JMIUGGIZSA-N 396.446 5.350 10 1 GKCF CCc1ccc(C(=O)CCc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc1 587956627 HSBRQXJBZHLZLE-UHFFFAOYSA-N 385.467 5.315 10 1 GKCF CCOP(=O)(OCC)[C@@H](Nc1cccc(F)c1)c1ccc(N(C)C)cc1 5499847 MXXDGBTZXDJCPB-LJQANCHMSA-N 380.400 5.269 10 1 GKCF Cc1ccc(-c2nc3sc(C)cn3c2/C=C2/C(=O)N(C)c3ccccc32)cc1 84671440 XWCDBBXXBSHIFA-LDADJPATSA-N 385.492 5.197 10 1 GKCF Cc1ccc2c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(C)n(C)c2c1 587574593 BSNBMZUNTIKNFN-RDGATRHJSA-N 399.446 5.204 10 1 GKCF O=C(COc1ccc(Cl)cc1Cl)N=Nc1c(O)[nH]c2ccc(F)cc12 617960090 XBSVOUQJXFARQI-UHFFFAOYSA-N 382.178 5.009 10 1 GKCF Nc1ccc(Oc2ccc3nc([C@H]4C[C@@H]4c4cccc(F)c4F)[nH]c3c2)cc1 587151153 GVMDDDQBEHYDRO-SJORKVTESA-N 377.394 5.487 10 1 GKCF Cn1c2c(c3cc(Br)ccc31)CCc1c-2nc2cccc3c2c1CC3 587207465 FHEYSMJRZMDSCJ-UHFFFAOYSA-N 389.296 5.353 10 1 GKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(O)ccc3ccccc23)N1 587830255 CHDSRHCBHWJHBX-PRWKNARSSA-N 386.264 5.071 10 1 GKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(O)ccc3ccccc23)N1 587830258 CHDSRHCBHWJHBX-YBTHPKLGSA-N 386.264 5.071 10 1 GKCF O=C(CN1C=C/C(=C/C=C2/C=Nc3ccccc32)c2ccccc21)c1ccccc1 377838563 ZHQPUYTURDPRPS-MVQASTMRSA-N 388.470 6.086 10 1 GKCF Oc1cc(-c2ccc(Br)cc2)cc(C2C3CC4CC(C3)CC2C4)c1O 2356283397 OGEVPVVMGGZDQL-UHFFFAOYSA-N 399.328 6.067 10 1 GKCF Cc1ccccc1-n1c(-c2ccc(F)cc2)cc(CN2CCSCC2)c1C 36472082 ABPSLABMGWRMHE-UHFFFAOYSA-N 380.532 5.449 10 1 GKCF Cc1c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2n1C 587755135 OIZBGAYAGJMZON-PRWKNARSSA-N 387.296 5.012 10 1 GKCF O=C1Nc2ccccc2/C1=C/c1cn(C(=O)c2ccc(Cl)cc2)c2ccccc12 72106341 CKIQEEDLVDHRKG-MOSHPQCFSA-N 398.849 5.476 10 1 GKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3ccccc3c2O)N1 587834565 SFJSISYBYTXSJS-WLRWDXFRSA-N 386.264 5.071 10 1 GKCF Cc1cncc(C)c1-c1nc(-c2cc(C)n(-c3ccccc3F)c2C)cs1 587921877 DQPOZUWCQBUVCS-UHFFFAOYSA-N 377.488 6.036 10 1 GKCF Nc1ccc(Oc2ccc3nc(-c4cccc(-c5ccc(O)cc5)c4)[nH]c3c2)cc1 586897609 GVMUOKVHLBNSGW-UHFFFAOYSA-N 393.446 5.977 10 1 GKCF COC1(c2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)CCOCC1 587922082 JSLQORVCSCEIKX-UHFFFAOYSA-N 386.492 5.009 10 1 GKCF CCCN1[C@H](c2ccc(F)c(Br)c2O)c2ccccc2C[C@H]1C 963241186 MGRHVMMVDPJTCT-XIKOKIGWSA-N 378.285 5.040 10 1 GKCF O=C(c1ccccc1NCc1ccc2ncccc2c1)c1c[nH]c2ccccc12 40891937 PQZBCRDHJWKWNY-UHFFFAOYSA-N 377.447 5.559 10 1 GKCF CC[C@@H](Oc1ccc(Nc2c3ccccc3nc3c(C)cccc23)cc1)C(=O)O 169322392 VITSTVXGTJKBFQ-OAQYLSRUSA-N 386.451 5.682 10 1 GKCF CCO[C@H](C)c1nc(C)c(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)s1 587014495 MGTOHUCWKKUIAS-CYBMUJFWSA-N 394.500 5.467 10 1 GKCF Cc1c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2n1C 587758870 YNUUMQWTTAZCCG-GIPWTMENSA-N 387.296 5.012 10 1 GKCF CC(C)Oc1ccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2c1 587078410 QBHWMTLVJFNUCB-MRUHUIDDSA-N 379.891 5.830 10 1 GKCF CCCNc1cc(OCC)c(Br)cc1-n1c(C)cc2c1CCCC2 587937672 STCYYZKPKHRKRO-UHFFFAOYSA-N 391.353 5.648 10 1 GKCF O=C1CCCN1[C@H](c1ccc(Br)cc1)c1c(O)ccc2ccccc12 1772607721 FQNBLDHXWAVPLO-OAQYLSRUSA-N 396.284 5.020 10 1 GKCF COc1ccc(-c2cc(CN3CCSCC3)c(C)n2-c2ccc(F)cc2)cc1 64453930 ZBGHUZCIFHHRMW-UHFFFAOYSA-N 396.531 5.149 10 1 GKCF Cc1cc(O)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl 587697590 WYWXAKVGTLKNQV-XTZNXHDOSA-N 398.703 5.053 10 1 GKCF CC(C)=CCC/C(C)=C/Cc1cc2c(=O)c3c(O)cc(O)cc3oc2c(O)c1O 238766237 GIDGYMKPWWCWDW-NTUHNPAUSA-N 396.439 5.004 10 1 GKCF Cc1cc(-c2csc(CC(=O)OC(C)(C)C)n2)c(C)n1-c1ccccc1F 587922238 LVPHYSCTBVZVGQ-UHFFFAOYSA-N 386.492 5.241 10 1 GKCF Clc1cccc(C[n+]2cccc(Cn3c4c(c5ccccc53)CCCC4)c2)c1 1857536871 SJSMBKWSBPCHBP-UHFFFAOYSA-N 387.934 5.558 10 1 GKCF COc1cc2c(c(O)c1OC/C=C(/C)CC/C=C(\C)CCC=C(C)C)CNC2=O 212293592 PHOZASLNSDMYGR-ZCCSIIRNSA-N 399.531 5.442 10 1 GKCF Cc1ccc2[nH]c(O)c(N=NC(=O)[C@H]3C[C@H]3c3ccccc3)c2c1Br 253916115 YOPPNVGYQQWBPH-STQMWFEESA-N 398.260 5.358 10 1 GKCF Cc1ccc(-c2ccc(-c3nc4cc(Oc5ccc(N)cc5)ccc4[nH]3)cc2)o1 586903217 MZUZDQGIGVRNOW-UHFFFAOYSA-N 381.435 6.173 10 1 GKCF Cc1ccc([C@H](Nc2nc3ccccc3s2)c2c(O)ccc3ccccc23)cc1 169351623 GFKBBLGDYSQAQR-DEOSSOPVSA-N 396.515 6.665 10 1 GKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc4ncccc4c3[nH]1)[C@H]1CC=C[C@H]21 587276797 NNTHYPVHSWUUED-DFFLPILJSA-N 397.438 5.154 10 1 GKCF COc1cc2c(/C=C3/C(=O)Nc4c3ccc3ccccc43)c(Cl)[nH]c2cc1C 28655935 JAXPZTZIYSVXOJ-VCHYOVAHSA-N 388.854 5.784 10 1 GKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4c(C(=O)O)cccc4[nH]3)cc2)cc1 587196329 SQMLFZIAFBNUPI-UHFFFAOYSA-N 385.427 5.410 10 1 GKCF CC(C)c1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O 587830086 AYSMOVNFMLGBQT-VOJFVSQTSA-N 378.285 5.041 10 1 GKCF Cc1cc(-c2csc(-c3ccc(C(=O)O)cc3)n2)c(C)n1-c1ccccc1F 587921851 CGYSQJJHTCOIPT-UHFFFAOYSA-N 392.455 5.722 10 1 GKCF Cc1cc(/N=N/c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc(C)c1O 103283644 PYVCDUXKORLXIT-GHVJWSGMSA-N 399.447 5.364 10 1 GKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc4ccccc4cc3[nH]1)[C@H]1CC=C[C@@H]21 587275262 AVIQGENEVMIRHT-STSQHVNTSA-N 396.450 5.759 10 1 GKCF CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)Nc2ccc(N)cc2)C(C)(C)CCC1 28896133 DUEPYEDVNGXXAL-FXILSDISSA-N 390.571 6.739 10 1 GKCF CCN(CC)Cc1c(O)c(OC)cc2nc3c(cc12)CSc1ccccc1-3 43065955 UKPCHMJOFSEKSF-UHFFFAOYSA-N 380.513 5.064 10 1 GKCF Cc1cccc2c3nnc(/N=N/c4c(O)[nH]c5c(C)ccc(Cl)c45)[nH]c-3nc12 103968117 UUXZZOWDCGMNNE-IMVLJIQESA-N 391.822 5.330 10 1 GKCF O=C(O)c1cccc2c(-c3ccccc3)c(-c3ccc(Cl)c(Cl)c3)[nH]c12 587638467 LZDAXFCPESRGSR-UHFFFAOYSA-N 382.246 6.507 10 1 GKCF CN1/C(=C/C=C/c2oc3ccc(Cl)cc3[n+]2C)Sc2ccc(Cl)cc21 169323903 QJJRMIJZPGQMJU-UHFFFAOYSA-N 390.315 5.661 10 1 GKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3ccccc3c2O)N1 587834639 SRGRIIXIYUCUFE-JEOXALJRSA-N 386.264 5.071 10 1 GKCF CCOc1ccc(N2CC(Oc3ccc([C@H](C)CC(=O)CC4CC4)cc3)C2)cc1 96172986 VYFSOQIKUOLRMP-GOSISDBHSA-N 393.527 5.216 10 1 GKCF Cc1cc(C)c2c(c1)N[C@@H](c1cc3c(cc1Br)OCO3)[C@@H]1CC=C[C@@H]21 104241447 KCONBCAFNVTJDZ-ZMOMAAQPSA-N 398.300 5.621 10 1 GKCF Cc1ccn(C[C@H](C)c2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)n1 587922524 PQIDCWGFLQAZNS-AWEZNQCLSA-N 394.519 5.665 10 1 GKCF CSc1cccc(-n2c(C)cc(-c3csc(CC4CCCCC4)n3)c2C)c1 587924087 DFHIREXJPNFZMN-UHFFFAOYSA-N 396.625 7.062 10 1 GKCF Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1nc3ccc4c(c3[nH]1)CCCC4)N2 587078180 KCVKYKGKXAAJSW-JKSBSHDWSA-N 375.903 5.922 10 1 GKCF Cc1c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n(C)c2ccccc12 587755323 OTQFQSBHNIUUHO-JEOXALJRSA-N 387.296 5.012 10 1 GKCF COC(=O)[C@H](C)c1ccc(-c2ccc(NCc3cc(C)ccc3O)cc2)c(F)c1 1911572824 VFGYIQJEPMHWBF-MRXNPFEDSA-N 393.458 5.395 10 1 GKCF COC(=O)[C@@H](C)c1ccc(-c2ccc(NCc3ccccc3O)cc2)c(F)c1 1911578970 CKRLHIYNDSQTLM-HNNXBMFYSA-N 379.431 5.087 10 1 GKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cnc4ccccc4c3[nH]1)[C@@H]1CC=C[C@H]21 587275366 CVFCXTHMRIGLRJ-KIMHZCHSSA-N 397.438 5.154 10 1 GKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4cncnc4)n3)c2C)c1 587924430 YCOPDXIEYNBYSU-UHFFFAOYSA-N 378.526 5.397 10 1 GKCF CC(C)Cc1ccc(-c2cc(C(=O)/N=N/c3c(O)[nH]c4ccccc34)[nH]n2)cc1 5093855 MFBDLNGFSOLDNF-CYYJNZCTSA-N 387.443 5.386 10 1 GKCF Oc1c([C@@H](Nc2ccccn2)c2cc(Cl)ccc2Cl)ccc2cccnc12 199308503 HIQGIODAOSUAIJ-HXUWFJFHSA-N 396.277 5.844 10 1 GKCF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587930263 NSFBCLDSVCKOLW-NTKDMRAZSA-N 385.467 5.391 10 1 GKCF COc1cc(O)c2c(c1CC=C(C)C)[C@@H]1[C@H](C2)C(C)(C)[C@@H]1c1ccc(O)c(O)c1 13373189 GZFNBAIGMIFCNM-YRUKQIKQSA-N 394.511 5.400 10 1 GKCF biogenic CCOC(=O)c1ccc(N[C@H](c2ccc3cccnc3c2O)C2CCCC2)cc1 653798427 QHOPTBGRPYAIDH-NRFANRHFSA-N 390.483 5.461 10 1 GKCF Nc1ccc(Oc2ccc3nc(/C=C/c4cccc(Cl)c4Cl)[nH]c3c2)cc1 587053964 JRBRZHGQBNGGKS-NYYWCZLTSA-N 396.277 6.415 10 1 GKCF O=P1(Nc2ccc(Nc3c4ccccc4nc4ccccc34)cc2)OCCO1 28238463 MQVDEXGFABMLKE-UHFFFAOYSA-N 391.367 5.698 10 1 GKCF COc1cccc2c(-c3ccc4c(c3O)[C@@H](C)N(C)[C@H](C)C4)c(C)cc(OC)c12 5849387 ZSYADESMHZOJRK-HZPDHXFCSA-N 391.511 5.475 10 1 GKCF biogenic CCn1c(C)nc2cc(C(=O)/N=N\c3c(O)[nH]c4c(C)cc(C)cc34)ccc21 13123130 KCPOAHUVIUVELB-IZHYLOQSSA-N 375.432 5.092 10 1 GKCF CC(C)=CCC[C@@]1(C)C=Cc2c(O)cc(/C=C/c3ccc(O)c(O)c3)cc2O1 14638098 UAIWPLZXOFABMI-JXSPYEIYSA-N 378.468 5.885 10 1 GKCF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587930261 NSFBCLDSVCKOLW-DVECYGJZSA-N 385.467 5.391 10 1 GKCF Oc1ccccc1[C@H]1CC(c2ccccc2)=NN1c1nc(-c2ccccc2)cs1 1857545215 SBNQWXPTENPAGN-JOCHJYFZSA-N 397.503 5.871 10 1 GKCF CC(C)COC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2 718936 MSASTMHEDHIUQX-JQVVWYNYSA-N 381.903 5.979 10 1 GKCF COc1cc(-c2ccc3c(c2)NC(=O)/C3=C\c2c[nH]c3ccccc23)ccc1O 14956248 GQZVPDFXYAEMGD-GRSHGNNSSA-N 382.419 5.042 10 1 GKCF CC[C@@]1(c2ccc(Cl)cc2O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587701373 XELJEIFTKBAAQZ-YPMLDQLKSA-N 398.703 5.135 10 1 GKCF CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1O 1857656001 GOARPUGCTKGRMA-VGOFMYFVSA-N 381.646 5.159 10 1 GKCF CCN(CC)c1ccc(CN(C(=O)C2CCCCC2)c2ccc(Cl)cc2)cc1 95584067 MRLOMFVLKPVMAN-UHFFFAOYSA-N 398.978 6.300 10 1 GKCF Cc1c([C@@H]2c3c(F)cccc3C[C@@H]3CCCN32)c2cc(OC(C)C)ccc2n1C 963097468 FLIAJGACJSGLAK-AVRWGWEMSA-N 392.518 5.523 10 1 GKCF C[N+](C)(C)CCO[P@](=O)(O)OCCCCCCCCCCCCN=[N+]=[N-] 473134848 DBHOWLONXCTUIG-UHFFFAOYSA-O 393.489 5.038 10 1 GKCF COC(=O)c1ccc(Cl)c2c1[C@H]1C=CC[C@H]1[C@@H](c1cccc3ccccc13)N2 12629735 HWGSLBXHTZZQOT-AQOAWAETSA-N 389.882 6.106 10 1 GKCF Cc1cc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@H]43)[nH]c2cc1F 587277504 XJBXSQWYBHQJFI-ARGWCVDVSA-N 378.407 5.054 10 1 GKCF O=C(O)[C@@H]1CCCN(CCC/C=C/c2cccc(/N=N/c3ccccc3)c2)C1 1857636610 YIZRPWOPJBMTNA-LKIUBFIUSA-N 377.488 5.692 10 1 GKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(C(C)(C)C)c2O)N1 587835487 XKBSSKVEENPEDB-ZMZPIMSZSA-N 392.312 5.215 10 1 GKCF CSc1cccc(-n2c(C)cc(-c3csc(C4CCNCC4)n3)c2C)c1 587924812 KETZHCQTHCZNCA-UHFFFAOYSA-N 383.586 5.407 10 1 GKCF CC(C)=CCCC(C)=CCCC(C)=CCOc1c(O)cc2c(c1O)CNC2=O 2356619514 JHAFURLXNPRDRX-UHFFFAOYSA-N 385.504 5.139 10 1 GKCF COC(C)(C)c1cc2c(c(O)c1O)[C@@]1(C)CCCC(C)(C)C1=C[C@@H]2CC(C)=O 199841230 YWWSFPFXCVCURQ-OWJWWREXSA-N 386.532 5.450 10 1 GKCF Cc1cc(C)c2[nH]c(O)c(N=NC(=O)COc3cc(C(C)C)ccc3C)c2c1 617960036 ZIKAALXNJOESKC-UHFFFAOYSA-N 379.460 5.611 10 1 GKCF COc1cc2c3c(c1)O[C@@H](c1c(C)n(CC(C)C)c4ccccc14)[C@@H](C2)C3=O 587429647 CJOUJTPGMCFRGI-MHECFPHRSA-N 375.468 5.103 10 1 GKCF Oc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1CNc1ccc(F)cc1 103215252 QIFJAAMWTFEUST-UHFFFAOYSA-N 393.849 6.089 10 1 GKCF CC(C)c1ccc(O)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587823127 SKLMQXSBYZPPPL-YUNKPMOVSA-N 392.312 5.215 10 1 GKCF O=C1Nc2ccccc2/C1=C\c1c(Cl)n(Cc2ccccc2)c2ccccc12 169310827 BPYIGHVTPGGTOR-XSFVSMFZSA-N 384.866 5.836 10 1 GKCF C[C@H](/N=N/c1cccc(C(=O)O)c1)c1ccc2c(c1)Nc1ccccc1S2 169688605 NJURUZBBXVVUEI-LRNBNYQNSA-N 375.453 6.438 10 1 GKCF Cc1ccc(-c2csc(/N=N/[C@@H](C)c3csc(-c4ccccc4)n3)n2)cc1 169719643 ATXCKEATDYKSOD-JAFLTTMTSA-N 390.537 7.087 10 1 GKCF CC(C)=CCc1cc(CCc2cc(O)c(CC=C(C)C)c(O)c2)cc(O)c1O 15115160 JRPUARBDPKCBGO-UHFFFAOYSA-N 382.500 5.312 10 1 GKCF biogenic,in-vitro Cc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c(C)cccc12 26843154 PMCRQGJUIUQXSY-UHFFFAOYSA-N 391.496 5.120 10 1 GKCF CN1C=C2Sc3ccc(OCCN4CCCCC4)cc3N=C2c2ccccc21 1857538342 AUDVVIZXAKVEBB-UHFFFAOYSA-N 391.540 5.069 10 1 GKCF Cc1cc(-c2csc(-c3ccccc3Cl)n2)c(C)n1-c1ccccc1F 587922770 UFRQOIOMMUBIPC-UHFFFAOYSA-N 382.891 6.677 10 1 GKCF Cc1cc2c(cc1C)-c1oc(CNc3ccc(F)c(Cl)c3)c(C)c1C(=O)C2=O 1857633809 FOLIIUIVCPEYHX-UHFFFAOYSA-N 397.833 5.655 10 1 GKCF Oc1ccccc1[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NN1c1ccccc1 653874579 LAAYUWGAPUNSAY-FQEVSTJZSA-N 383.278 6.055 10 1 GKCF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1ccc(N2CCCCC2)cc1Cl 963225732 FWJQKXXGMSHNLW-MHECFPHRSA-N 382.979 6.076 10 1 GKCF CC(=O)C[C@@H](C)c1ccc(OC2CN(c3ccc(OC4CCCC4)cc3)C2)cc1 96172834 GFPQMTVFAUVQLV-GOSISDBHSA-N 393.527 5.358 10 1 GKCF C[C@H](/N=N/c1nc2ccccc2s1)c1cccc(-c2cncc(C(=O)O)n2)c1 169730159 RVBDDRFTOKSNHT-DESRBJQCSA-N 389.440 5.296 10 1 GKCF CC(C)c1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1O 587830087 AYSMOVNFMLGBQT-ZMZPIMSZSA-N 378.285 5.041 10 1 GKCF CCN(CC)c1ccc([C@H]2c3cccc(F)c3CCN2[C@@H]2CCSC2)c(C)c1 962722950 ZDSNOJXCWATUFZ-DVECYGJZSA-N 398.591 5.433 10 1 GKCF Cc1ccccc1/N=N/c1c(C)[nH]n(-c2nc3ccc(Cl)cc3s2)c1=O 169330751 FBCGQBPCNYHXMC-QURGRASLSA-N 383.864 5.461 10 1 GKCF Oc1ccc(Cl)cc1C/N=N/c1nc(-c2ccc(Cl)c(Cl)c2)cs1 169722289 FODDYFGVROPTBO-LSDHQDQOSA-N 398.702 6.760 10 1 GKCF FC(F)(F)c1[nH]nc(-c2ccc(Cl)cc2)c1/N=N/c1ccccc1Cl 169724826 AJFBMOKKTRIOQI-ZNTNEXAZSA-N 385.176 6.818 10 1 GKCF COc1ccc(N(Cc2ccc(Cl)cc2)Cc2ccc(OC)c(O)c2)cc1 103284411 KKOLVLLYVAVJRP-UHFFFAOYSA-N 383.875 5.270 10 1 GKCF CSC(=S)NCc1cc2c([nH]c3ccccc32)c(-c2ccc(F)cc2)n1 474604813 FCXXGNBJPOGLRY-UHFFFAOYSA-N 381.501 5.260 10 1 GKCF CO[P@](=O)(O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 28242015 VGXADRRRORXXDP-UHFFFAOYSA-N 379.356 5.290 10 1 GKCF Oc1ccc(C2=NN(c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3)C2)c(O)c1 1857648026 APVBWENQGQRYRD-FQEVSTJZSA-N 399.277 5.760 10 1 GKCF Cc1cc(O)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl 587697588 WYWXAKVGTLKNQV-MGNBDDOMSA-N 398.703 5.053 10 1 GKCF Cc1cc(-c2csc(-c3cccc([N+](=O)[O-])c3)n2)c(C)n1-c1ccccc1F 587921847 CCYITAGNXLNUQS-UHFFFAOYSA-N 393.443 5.932 10 1 GKCF CCOc1cccc([C@H]2Nc3ccccc3N=C3CC(C)(C)CC(O)=C32)c1O 103938777 SWVFJHVMSLIEIQ-OAQYLSRUSA-N 378.472 5.662 10 1 GKCF C[C@@H](/N=N/c1nc2ccccc2s1)c1ccc(-c2ccc(C(=O)O)o2)s1 169730164 ANUIGPSSACCTKD-OLOQPLSPSA-N 383.454 6.161 10 1 GKCF C[C@@H](/N=N/c1nc2ccccc2s1)c1ccc(-c2ccccc2C(=O)O)o1 169730152 BAEDJXDLRCJJDW-GHPOMHATSA-N 377.425 6.099 10 1 GKCF Cc1nc2ccccn2c1C(=O)N=Nc1c(O)n(CCC(C)C)c2ccccc12 253977859 RYVUIJCSKMMDTD-UHFFFAOYSA-N 389.459 5.273 10 1 GKCF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)n(-c3ccc4ccccc4c3)c1C)O2 587389963 OJPBEKIQLPYNFH-VWLOTQADSA-N 396.490 5.844 10 1 GKCF CCOC(=O)c1cc(C)n(-c2cccc(Cl)c2Oc2ccccc2OC)c1C 587942186 VZCRLRPUVFQLDU-UHFFFAOYSA-N 399.874 5.725 10 1 GKCF CCCSC(=S)c1c(-c2ccc(Cl)cc2)nn(-c2ccccc2)c1O 1857772546 VRJASGZVMJNHGI-UHFFFAOYSA-N 388.945 5.717 10 1 GKCF Fc1cnc(Cl)c2[nH]c([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)nc12 587078228 LTBXYPCBFPXPLK-RBZYPMLTSA-N 375.234 5.230 10 1 GKCF O=C(CN1C=CC(=CC=C2C=Nc3ccccc32)c2ccccc21)c1ccccc1 1857623087 ZHQPUYTURDPRPS-UHFFFAOYSA-N 388.470 6.086 10 1 GKCF Cc1c(/N=N/c2ccccc2)ccc(NC[C@@H]2CCCN3CCCC[C@H]23)c1C 5930346 CGGFYAGPICIPSC-JMUYRDLRSA-N 376.548 6.395 10 1 GKCF CCN(CC)Cc1c(O)c(OC)cc2nc3c(cc12)CSc1ccc(C)cc1-3 43012795 VKXAEPDZEAPMMY-UHFFFAOYSA-N 394.540 5.372 10 1 GKCF CCCCCC(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 26849173 TYNBKNWUXQQGTM-UHFFFAOYSA-N 383.495 6.650 10 1 GKCF Cc1ccccc1NC(=O)Oc1ccc2c(c1)CN1CCc3ccccc3[C@H]1N2C 95572926 ONMNBWIZOMLRQB-DEOSSOPVSA-N 399.494 5.113 10 1 GKCF Cc1ccc2[nH]c(O)c(/N=N/C(=O)CCc3ccccc3)c2c1Br 101637567 KERBZOJBZLCDMR-QURGRASLSA-N 386.249 5.188 10 1 GKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4cc5c(cc4[nH]3)OCO5)cc2)cc1 587196562 VXNPWTISHMZJGS-UHFFFAOYSA-N 385.427 5.440 10 1 GKCF COc1cc2c3c(c1)O[C@H](c1cc(C)n(-c4ccccc4Cl)c1C)[C@@H](C2)C3=O 587422759 ZQBPHGDQLJYINH-GAJHUEQPSA-N 393.870 5.245 10 1 GKCF COc1ccc(-c2[nH]c3c(C(=O)O)cccc3c2-c2ccccc2[N+](=O)[O-])cc1 587638108 KSHLXNIPUSZTQS-UHFFFAOYSA-N 388.379 5.117 10 1 GKCF CSc1cccc(-n2c(C)cc(-c3csc(C4CCCCC4)n3)c2C)c1 587925916 VVEYOIVCTYNSKO-UHFFFAOYSA-N 382.598 6.987 10 1 GKCF CC1=N[C@H](N)OC(c2ccc(Nc3c4ccccc4nc4ccccc34)cc2)=C1 84688609 VXUPTBLIWQOHCQ-DEOSSOPVSA-N 380.451 5.206 10 1 GKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4cc5[nH]ncc5cc4[nH]3)cc2)cc1 587194805 BKNYSNSIUBNXGA-UHFFFAOYSA-N 381.443 5.588 10 1 GKCF O=C(O)[C@@H]1CCCN(CCCC=Cc2ccc(N=Nc3ccccc3)cc2)C1 1857748444 AOZOTQVJPZKRQD-HXUWFJFHSA-N 377.488 5.692 10 1 GKCF Cc1ccc(Cl)c(Nc2ccccc2/C=C2\SC(=S)NC2=O)c1Cl 1534325 VFHQMOPQDPVAMG-JYRVWZFOSA-N 395.336 5.534 10 1 GKCF CC1(C)CCC[C@]2(C)c3cc(O)c(O)cc3-c3nc4cccc5c4c(c3[C@@H]12)CC5 587215139 BUJFUOOGHSJEOH-AZGAKELHSA-N 385.507 5.977 10 1 GKCF O=C(O)[C@H]1CCCN(CCC/C=C/c2ccc(/N=N/c3ccccc3)cc2)C1 1857748446 AOZOTQVJPZKRQD-PQTUICGZSA-N 377.488 5.692 10 1 GKCF O=C(O)[C@H]1[C@H]2CC=C[C@@H]2c2cc(Oc3ccccc3)cc3c2N1C[C@H]1CC=C[C@H]31 5128601 JFRAUHQWVZAEAI-YASAHPQDSA-N 385.463 5.085 10 1 GKCF CN(C)c1ccc(C/N=N/c2nc3ccccc3nc2Cc2ccccc2)cc1 169727575 LDSLBNPNRTYHAX-AZPGRJICSA-N 381.483 5.571 10 1 GKCF COc1ncccc1-c1nc(-c2cc(C)n(-c3ccccc3F)c2C)cs1 587921869 DBBFYILHDPERBU-UHFFFAOYSA-N 379.460 5.427 10 1 GKCF CCCN(CCC)c1cccc(NC(=O)c2ccccc2Br)c1 1857576661 WKNJUYIGFGEOQZ-UHFFFAOYSA-N 375.310 5.328 10 1 GKCF CCCN(CCCNc1ccnc2cc(Cl)ccc12)Cc1ccccc1O 36473912 COYGNXKDYISLTK-UHFFFAOYSA-N 383.923 5.308 10 1 GKCF CC(C)(C)[C@H]1CCc2c(cc(-c3ccccc3)n2-c2ccc(O)c(C(=O)O)c2)C1 39194395 OZQKJEXMVUFKLB-SFHVURJKSA-N 389.495 5.699 10 1 GKCF CC1(C)CC(=S)C2=C(C1)Oc1ccc3ccccc3c1[C@H]2c1ccc(F)cc1 103272227 SHJHECNLEZCPGH-JOCHJYFZSA-N 388.507 6.947 10 1 GKCF Cc1cc(-c2csc(-c3ccc(N)cc3Cl)n2)c(C)n1-c1ccccc1F 587922689 SETKWPQMLBMJJJ-UHFFFAOYSA-N 397.906 6.259 10 1 GKCF O=C1CCCN1[C@@H](c1ccc(Cl)cc1Cl)c1c(O)ccc2ccccc12 1772642986 UHVJPNQNOMMGBV-NRFANRHFSA-N 386.278 5.564 10 1 GKCF COc1ccc(C/N=N/c2nc3ccccc3nc2Cc2ccccc2)cc1OC 169727588 JEFVJDDRTJSEPX-AZPGRJICSA-N 398.466 5.522 10 1 GKCF CC(C)Cc1ccc([C@@H](C)c2nc3ccccc3n2Cc2ccccc2O)cc1 84705360 MQAVCVGDMLXZFA-LJQANCHMSA-N 384.523 6.141 10 1 GKCF CC[C@@H](Oc1ccccc1Cl)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587061730 IZBPMGAKLZPREQ-HXUWFJFHSA-N 393.874 6.121 10 1 GKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(O)ccc3ccccc23)N1 587830958 GOHSSDDWFKSMRG-PRWKNARSSA-N 386.264 5.071 10 1 GKCF Cc1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3cccc(C)c3nc12 26842366 MHTXIVJIMWWFFJ-UHFFFAOYSA-N 391.496 5.120 10 1 GKCF c1ccc2[nH]c(-c3ccc(Nc4c5ccccc5nc5ccccc45)cc3)nc2c1 212342603 JJLFPVBHSJMOQH-UHFFFAOYSA-N 386.458 6.675 10 1 GKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4c(F)cc(F)cc4[nH]3)cc2)cc1 587196867 ZMOYBUBMSNKROA-UHFFFAOYSA-N 377.398 5.990 10 1 GKCF CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(-c3ncccc3C)c1C)CC2=O 587470786 LRXGXULMJOYPLO-QFIPXVFZSA-N 390.483 5.162 10 1 GKCF CCCCOc1cc2nc(CCCCCCN=[N+]=[N-])[nH]c2cc1Br 587260296 QMUGQWCSLHTBIY-UHFFFAOYSA-N 394.317 5.918 10 1 GKCF COC(=O)c1cc(Cl)c2c(-c3ccccc3)nn(C)c(-c3ccccc3)c1-2 68586907 VKVCPROHSZHFPF-UHFFFAOYSA-N 376.843 5.299 10 1 GKCF biogenic COc1ccc2cc(/C=C3\SC(c4ccc(Cl)cc4)=NC3=O)ccc2c1 84757849 LRXVSGVAHQRCJS-ODLFYWEKSA-N 379.868 5.563 10 1 GKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(Cl)cc3[nH]1)[C@H]1CC=C[C@@H]21 587272376 RFNDKFJFTHAVOH-TYILLQQXSA-N 380.835 5.259 10 1 GKCF CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@H]1/N=N\c1cccc(C)c1 102733862 WGFWKUNVVXRAFF-OAFDPHIXSA-N 389.484 5.302 10 1 GKCF Cc1cc(Cl)cc2[nH]c(-c3ccc(N=Nc4ccc(N(C)C)cc4)cc3)nc12 587196336 SVYXQODOBAFSHP-UHFFFAOYSA-N 389.890 6.673 10 1 GKCF CC(C)=CCCC(C)=CCc1c(O)cc(C=Cc2ccc(O)c(O)c2)cc1O 2356454078 YCBBOXBZWZTLGR-UHFFFAOYSA-N 380.484 5.915 10 1 GKCF CNc1ccc2c(Nc3ccc(CCCC(=O)O)cc3)c3ccccc3nc2c1 26941792 RQJRGHJIFLZBSX-UHFFFAOYSA-N 385.467 5.581 10 1 GKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cnc4ccccc4c3[nH]1)[C@H]1CC=C[C@@H]21 587275364 CVFCXTHMRIGLRJ-GTQRCTGISA-N 397.438 5.154 10 1 GKCF C[C@@]1(c2cc3ccccc3cc2O)c2cccc(F)c2CCN1[C@@H]1CCSC1 962696464 FLZKXSFDUXRAGO-KOSHJBKYSA-N 393.527 5.312 10 1 GKCF Cc1c([C@@H]2c3c(F)cccc3C[C@H]3CCCN32)c2cc(OC(C)C)ccc2n1C 963097477 FLIAJGACJSGLAK-IQGLISFBSA-N 392.518 5.523 10 1 GKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4ccccc4O)n3)c2C)c1 587924132 HETKEIGOPZYPMD-UHFFFAOYSA-N 392.549 6.312 10 1 GKCF CCN(CC)c1ccc(/N=N/c2c(Cl)cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 5139432 NNAOTQQRYPJRGP-VHEBQXMUSA-N 377.788 5.418 10 1 GKCF in-vivo Cc1oc(C(=O)O)cc1COc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1 140488597 HCIAHMYLVSACOH-UHFFFAOYSA-N 392.329 5.431 10 1 GKCF C[C@@H](/N=N/c1nc2ccccc2s1)c1ccc(-c2ccc(C(=O)O)cc2)o1 169730133 ZQHPEPUGEUAQOL-GHPOMHATSA-N 377.425 6.099 10 1 GKCF Oc1ccccc1CNc1ccc(-c2cccc(OCc3ccccc3)c2)cc1 473082267 GUEQSUGAALTKCJ-UHFFFAOYSA-N 381.475 6.250 10 1 GKCF Oc1c([C@H](Nc2ccccn2)c2ccc(F)cc2)cc(Cl)c2cccnc12 1772589322 HLUDJDVTMXPKKE-LJQANCHMSA-N 379.822 5.329 10 1 GKCF CN(C)CCCN(/N=N/c1cc(F)ccc1F)c1cccc(C(F)(F)F)c1 45284105 NFGSBMBGFSQMLW-OCOZRVBESA-N 386.368 5.441 10 1 GKCF CCc1oc2ccccc2c1-c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 586903726 NXONUIHGNJSMKV-UHFFFAOYSA-N 392.414 5.314 10 1 GKCF CC(C)Cc1ccc(-c2cc(C(=O)N=Nc3c(O)[nH]c4ccccc34)n[nH]2)cc1 617960310 MFBDLNGFSOLDNF-UHFFFAOYSA-N 387.443 5.386 10 1 GKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4ccccc4C)n3)c2C)c1 587924348 TXXOPKRYBYCPEI-UHFFFAOYSA-N 390.577 6.915 10 1 GKCF CCn1c2c(c3ccccc31)CCN(C(=O)c1ccccc1)[C@H]2c1ccccc1 1857591176 XGXFMQLSPAGIME-DEOSSOPVSA-N 380.491 5.449 10 1 GKCF CSc1ccc(-c2ccc(C)n2-c2cccc(C3=NC(C)(C)CO3)c2)cc1 587934148 BLFAAYLOFYFTLX-UHFFFAOYSA-N 376.525 5.730 10 1 GKCF CCN(Cc1ccccc1)c1ccc(/N=N\c2nn(C)c(C)c2[N+](=O)[O-])cc1 18058265 WDERFMIIJYFHQP-DQRAZIAOSA-N 378.436 5.079 10 1 GKCF Cc1c(C(=O)O)cccc1-c1ccc([C@@H](C)/N=N/c2nc3ccccc3s2)o1 169730172 OIEGXMMZWNRSBO-YOJUGNCBSA-N 391.452 6.408 10 1 GKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(O)ccc3ccccc23)N1 587830956 GOHSSDDWFKSMRG-BIBXISHDSA-N 386.264 5.071 10 1 GKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4cccnc4N)n3)c2C)c1 587924107 FWKAHLGGRYOMAT-UHFFFAOYSA-N 392.553 5.584 10 1 GKCF Oc1c([C@@H](Nc2cccnc2)c2ccc(F)cc2F)cc(Cl)c2cccnc12 1772603863 YGDCNKXGFIGFSB-IBGZPJMESA-N 397.812 5.469 10 1 GKCF CCCSC(=S)c1c(-c2ccc(OC)cc2)nn(-c2ccccc2)c1O 1857656106 OMQKEQOXUJTKBW-UHFFFAOYSA-N 384.526 5.072 10 1 GKCF Cc1cc2c(n1-c1ccc(F)c(C(=O)OCc3ccccc3)c1F)CCCC2 587944003 VGLNMZHUQRDHHB-UHFFFAOYSA-N 381.422 5.300 10 1 GKCF CNc1cc(NC(=O)OC)ccc1Nc1c2ccccc2nc2ccc(C)cc12 29341425 IOZROEZASUSUQR-UHFFFAOYSA-N 386.455 5.660 10 1 GKCF O=C(Oc1ccccc1)N1N=C(c2ccccc2O)C[C@@H]1c1ccc(Cl)cc1 96937651 NUBQPTFUJLQVEB-HXUWFJFHSA-N 392.842 5.396 10 1 GKCF COc1cc2c3c(c1)O[C@@H](c1cc(C)n(-c4ccc(Cl)cc4)c1C)[C@@H](C2)C3=O 587420035 GPNUJZOJKZQHKL-CVDCTZTESA-N 393.870 5.245 10 1 GKCF O=C(NCc1ccc(N2CCCCCCC2)cc1)Nc1cccc2cnccc12 14973425 OMGXJXMRPFLQQI-UHFFFAOYSA-N 388.515 5.327 10 1 GKCF O=[N+]([O-])c1ccc(C/N=N/c2nc3ccccc3nc2Cc2ccccc2)cc1 169727584 FVPWUUXNXQKMNH-WNAAXNPUSA-N 383.411 5.413 10 1 GKCF O=C(O)c1ccc(N[C@H](c2ccc3cccnc3c2O)C2CCCCC2)cc1 653795683 VHEYDKALXFQXQA-FQEVSTJZSA-N 376.456 5.372 10 1 GKCF CC(C)=CCc1c(O)cc(O)c(CC=C(C)C)c1/C=C/c1ccc(O)c(O)c1 13373185 HFLHSAFJULMJNB-YRNVUSSQSA-N 380.484 5.697 10 1 GKCF Cc1cc(N2CCCCC2)ccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587514378 NZTQGPGAINSPSG-XMMPIXPASA-N 375.512 5.571 10 1 GKCF Cc1ccc2[nH]c(O)c(/N=N\C(=O)CCc3ccccc3)c2c1Br 84923908 KERBZOJBZLCDMR-DQRAZIAOSA-N 386.249 5.188 10 1 GKCF NCCNCCCCCc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 26824204 GQNXBXGONADWJV-UHFFFAOYSA-N 398.554 5.393 10 1 GKCF O=C1c2ccccc2-c2nnc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc21 27301169 OLOWJFFCIOPIBY-UHFFFAOYSA-N 394.274 5.393 10 1 GKCF Cc1c([C@H]2NCCc3c(Cl)cc(Cl)cc32)c2ccccc2n1CC(C)C 963103756 GOMNABXELXDUBC-QFIPXVFZSA-N 387.354 6.148 10 1 GKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(O)ccc3ccccc23)N1 587830250 CHDSRHCBHWJHBX-BIBXISHDSA-N 386.264 5.071 10 1 GKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc(=N)[nH]c4)n3)c2C)c1 587924179 KHJCBULOLFCNEU-UHFFFAOYSA-N 392.553 5.414 10 1 GKCF Cc1cccc(-c2ccccc2)c1-c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 586879549 SYVFYCPODYVURO-UHFFFAOYSA-N 391.474 6.580 10 1 GKCF Oc1ccc(Br)c2c1N[C@@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@@H]21 2999207 PCMJPORDPBGSHV-IGCXYCKISA-N 376.681 5.635 10 1 GKCF Cc1cc(C)c2c(c1O)[C@@]1(C[C@@H]2C)c2ccsc2CCN1Cc1ccco1 962702512 AKHLDVVFVCEKNZ-QMHKHESXSA-N 379.525 5.473 10 1 GKCF CC(C)[N+]([O-])(CCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12)C(C)C 5733644 QLOKYBMKHDOMID-UHFFFAOYSA-N 396.491 5.230 10 1 GKCF CN(C)c1ccc(-c2nc3cc(NC(=O)CCc4ccccc4)ccc3o2)cc1 40891982 CYRDGLGDFZPEDZ-UHFFFAOYSA-N 385.467 5.132 10 1 GKCF Cc1ccc(-c2cc3c(n2-c2cc(O)cc(C(=O)O)c2)CC(C)(C)CC3=O)cc1 587925452 IFKPUISXJJBLJA-UHFFFAOYSA-N 389.451 5.012 10 1 GKCF Cc1ccccc1NC(=S)N1N=C(c2ccccc2)C[C@H]1c1ccccc1O 72175037 HBAGPQITQQIPRY-NRFANRHFSA-N 387.508 5.249 10 1 GKCF Cc1c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2n1C 587758867 YNUUMQWTTAZCCG-BIBXISHDSA-N 387.296 5.012 10 1 GKCF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc(O)c(O)cc2C3)c1 587365782 JTRTZTPSTIERSX-UHFFFAOYSA-N 395.414 5.639 10 1 GKCF Cc1cc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@@H]43)[nH]c2cc1Cl 587272354 QZKFMTIRNUFMNO-PJSUUKDQSA-N 394.862 5.568 10 1 GKCF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(-c3cccc(F)c3)c1C)CC2=O 587465558 FXOVVVGJMJJLOZ-HSZRJFAPSA-N 393.458 5.598 10 1 GKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4ccccc4)n3)c2C)c1 587924103 FJKFNFJBOLNXCR-UHFFFAOYSA-N 376.550 6.607 10 1 GKCF Cc1ccc2[nH]c(O)c(/N=N\C(=O)[C@H]3C[C@@H]3c3ccccc3)c2c1Br 15221336 YOPPNVGYQQWBPH-BVVOCYOTSA-N 398.260 5.358 10 1 GKCF COC(=O)c1cc(-c2cc3c(n2-c2ccccc2)CCc2ccccc2-3)ccc1O 169320101 WNHVACZULGHUBH-UHFFFAOYSA-N 395.458 5.402 10 1 GKCF Cc1cccc(Cc2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)c1 587922777 VOYAGNLEHTUJCA-UHFFFAOYSA-N 376.500 6.256 10 1 GKCF CC(C)=CCC[C@@]1(C)C=Cc2c(O)cc(C=Cc3ccc(O)c(O)c3)cc2O1 2356690343 UAIWPLZXOFABMI-DEOSSOPVSA-N 378.468 5.885 10 1 GKCF CCOc1ccc(-n2c(C)cc(C(=O)CSc3ccc(OC)cc3)c2C)cc1 208399351 DOPDYPCGDJQNQD-UHFFFAOYSA-N 395.524 5.476 10 1 GKCF C[C@@H](SCc1ccccc1)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 586961990 AAWNGNUJWYLXLD-OAHLLOKOSA-N 375.497 5.932 10 1 GKCF COc1ccc(-n2cc(-c3ccc(C)cc3)c3c2C(=O)c2ccccc2C3=O)cc1 1857634723 LJWWRBCGFGSSPG-UHFFFAOYSA-N 393.442 5.237 10 1 GKCF Cc1ccnc(N[C@@H](c2cccc(Cl)c2F)c2ccc3cccnc3c2O)c1 198904363 ZRFIFWGGZUCYKT-NRFANRHFSA-N 393.849 5.638 10 3 GKCF C[C@H]1CCc2sc(-c3nc4cc(Oc5ccc(N)cc5)ccc4[nH]3)cc2C1 587032811 BENFHNIJJHORNY-ZDUSSCGKSA-N 375.497 5.791 10 1 GKCF O=C(O)[C@@H]1[C@H]2CC=C[C@@H]2c2cc(Oc3ccccc3)cc3c2N1C[C@@H]1CC=C[C@H]31 148564193 JFRAUHQWVZAEAI-UPQTWPTJSA-N 385.463 5.085 10 1 GKCF COc1ccc2nc(-c3nc4cc(Oc5ccc(N)cc5)ccc4[nH]3)sc2c1 587035118 LQNZGCJJGQUZMH-UHFFFAOYSA-N 388.452 5.223 10 1 GKCF C[C@@]1(c2cccc(-c3ccccc3)c2O)NCCc2c(Cl)cc(Cl)cc21 963115866 AYIKXZIUZSFNIN-QFIPXVFZSA-N 384.306 5.775 10 1 GKCF Cc1ccc2[nH]c(O)c(/N=N/C(=O)[C@H]3C[C@H]3c3ccccc3)c2c1Br 17858953 YOPPNVGYQQWBPH-KDTVSVQNSA-N 398.260 5.358 10 1 GKCF O=C(C(=O)c1cc(-c2ccccc2)nc2ccc3ccccc3c12)c1ccccc1 1640461 XIRMQVYDGQOBQF-UHFFFAOYSA-N 387.438 6.121 10 1 GKCF Cc1ccnc2c1CCN[C@@H]2c1cccc(-c2ccccc2C(F)(F)F)c1O 963073478 QEGNQDVIBURUIY-HXUWFJFHSA-N 384.401 5.017 10 1 GKCF CCCCc1ccc2nc3ccccc3c(NCc3nc4ccccc4[nH]3)c2c1 212334819 OUWVEIMVADFGIW-UHFFFAOYSA-N 380.495 6.219 10 1 GKCF COc1cc2c3c(c1)O[C@H](c1cc(C)n(-c4cccc(Cl)c4)c1C)[C@@H](C2)C3=O 587417313 BXTSXJMNRZJBNM-WMZHIEFXSA-N 393.870 5.245 10 1 GKCF CCCCC1CCC(c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)CC1 586883867 HLDUQUAXACTXKX-UHFFFAOYSA-N 386.495 5.802 10 1 GKCF Cc1cc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@H]43)[nH]c2cc1Cl 587272353 QZKFMTIRNUFMNO-LRDNONRASA-N 394.862 5.568 10 1 GKCF COc1cc2c3c(c1)O[C@H](c1cc(C)n(-c4ccc(Cl)cc4)c1C)[C@@H](C2)C3=O 587420038 GPNUJZOJKZQHKL-WMZHIEFXSA-N 393.870 5.245 10 1 GKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(F)c(C)c3[nH]1)[C@H]1CC=C[C@H]21 587277567 YKPNYZVOVFVBKU-YRVVQQKDSA-N 378.407 5.054 10 1 GKCF Cc1c([C@H]2c3c(F)cccc3C[C@@H]3CCCN32)c2cc(OC(C)C)ccc2n1C 963097472 FLIAJGACJSGLAK-BVZFJXPGSA-N 392.518 5.523 10 1 GKCF Nc1ccc(Oc2ccc3nc([C@H]4SCCc5sccc54)[nH]c3c2)cc1 587037096 RUKFFPYZHNGYPL-IBGZPJMESA-N 379.510 5.378 10 1 GKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4c(Cl)cncc4[nH]3)cc2)cc1 587196674 XFZMLFFYOVVTQR-UHFFFAOYSA-N 376.851 5.760 10 1 GKCF Cc1cc(C)nc(/N=N\c2c(O)n(Cc3ccc(Cl)cc3)c3ccccc23)n1 13115398 ZWZHUUPFBHRHCK-QPLCGJKRSA-N 391.862 5.871 10 1 GKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4ncc([N+](=O)[O-])cc4[nH]3)cc2)cc1 587195392 JTOKNBKASHKXPL-UHFFFAOYSA-N 387.403 5.015 10 1 GKCF Cc1cc(Br)c2[nH]c(O)c(/N=N/C(=O)c3ccc(Cl)cc3)c2c1 103969512 SISSLAKAALGSDA-QZQOTICOSA-N 392.640 5.522 10 1 GKCF CCCc1c(O)ccc2c1O[C@@H](c1c(C)n(CC(C)C)c3ccccc13)CC2=O 587470230 JNSFJMSCDAUJSZ-HSZRJFAPSA-N 391.511 5.970 10 1 GKCF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(-c3ccccc3)c1C)CC2=O 587470987 OCFWYXTXVBZVHU-HSZRJFAPSA-N 375.468 5.459 10 1 GKCF COc1ccc(-c2ccc(C)n2-c2ccc(-c3nc4ccccc4s3)cc2)cc1 96933000 YRONIXUXFMJHNC-UHFFFAOYSA-N 396.515 6.738 10 1 GKCF Cc1cc(F)c2[nH]c([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@@H]43)nc2c1 587276971 PBWMXEPSPJBDHA-CKFHNAJUSA-N 378.407 5.054 10 1 GKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4c([N+](=O)[O-])cncc4[nH]3)cc2)cc1 587196256 RNAAWBFGUYIWBP-UHFFFAOYSA-N 387.403 5.015 10 1 GKCF Cc1ccc(-c2ccccc2)n1CCCCCCNC(=O)Oc1ccccc1 473122067 IOYOBISJNPNVCB-UHFFFAOYSA-N 376.500 5.813 10 1 GKCF Cc1ccc(/N=N/c2c(C)nn(C(=O)CC(=O)Nc3ccccc3)c2C)cc1C 5541990 PXOFRWVFQSTSID-OCOZRVBESA-N 389.459 5.201 10 1 GKCF CN(C)c1ccc(/C=C2/SC(N(c3ccccc3)c3ccccc3)=NC2=O)cc1 201379959 DDWZHOZZWOPEGZ-OQKWZONESA-N 399.519 5.561 10 1 GKCF Cc1cccc(NC(=S)N2N=C(c3ccccc3)C[C@H]2c2ccccc2O)c1 72174987 RJBOJLOJVNDFMK-NRFANRHFSA-N 387.508 5.249 10 1 GKCF CC(C)Cc1ccc([C@H](C)c2nc3ccccc3n2Cc2ccccc2O)cc1 84705364 MQAVCVGDMLXZFA-IBGZPJMESA-N 384.523 6.141 10 1 GKCF Cc1cc(C)c2[nH]c(O)c(/N=N/C(=O)COc3cc(C(C)C)ccc3C)c2c1 103960242 ZIKAALXNJOESKC-OCOZRVBESA-N 379.460 5.611 10 1 GKCF Cc1ccc(-c2csc(/N=N/[C@H](C)c3csc(-c4ccccc4)n3)n2)cc1 169719644 ATXCKEATDYKSOD-UEMQUKQSSA-N 390.537 7.087 10 1 GKCF COC(=O)c1ccc(Oc2ccc3nc(CCCCCCN=[N+]=[N-])[nH]c3c2)cc1 587259273 BMISSNIFKGWJBC-UHFFFAOYSA-N 393.447 5.555 10 1 GKCF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(-c3ncccc3C)c1C)CC2=O 587470785 LRXGXULMJOYPLO-JOCHJYFZSA-N 390.483 5.162 10 1 GKCF C[C@H](/N=N/c1nc2ccccc2s1)c1ccc(-c2ccccc2C(=O)O)o1 169730153 BAEDJXDLRCJJDW-FYKQZTOXSA-N 377.425 6.099 10 1 GKCF CC[C@@H](Oc1ccccc1F)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587156813 ZLTLFRTYRBRBRM-HXUWFJFHSA-N 377.419 5.607 10 1 GKCF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(-c3ccc(C)cc3)c1C)CC2=O 587471337 PWKCBOWLHVFEGC-XMMPIXPASA-N 389.495 5.767 10 1 GKCF CC[C@]1(c2cc(Br)cc(Cl)c2O)NCCc2cc(C)c(F)cc21 962092082 MGAPVVSAHPQRGE-SFHVURJKSA-N 398.703 5.055 10 1 GKCF Cc1cc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@H]43)[nH]c2cc1Cl 587272270 QZKFMTIRNUFMNO-ARGWCVDVSA-N 394.862 5.568 10 1 GKCF CC(C)c1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1O 587835960 YVCSQBLZINGKDF-ADLMAVQZSA-N 378.285 5.041 10 1 GKCF C[C@]1(c2ccc(N3CCCCCC3)cc2)c2ccc(F)cc2C[C@@H]2CCCN21 963117475 WVHPSDSMGKSZHK-ZCYQVOJMSA-N 378.535 5.490 10 1 GKCF COc1ccc(-c2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)cn1 587922688 SEHTXLPJIOFYBR-UHFFFAOYSA-N 379.460 5.427 10 1 GKCF Oc1c([C@@H](Nc2ccccn2)c2ccc(F)cc2)cc(Cl)c2cccnc12 1772589321 HLUDJDVTMXPKKE-IBGZPJMESA-N 379.822 5.329 10 1 GKCF O=C(Nc1ccc(/N=N/c2ccccc2)cc1)Sc1ccccc1C(=O)O 5887535 SGEMJGRKIQHCTC-GHVJWSGMSA-N 377.425 6.124 10 1 GKCF FC(F)(F)c1cccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c12 587078249 MJNTUAGLEKLJJJ-JKDFXYPNSA-N 389.808 6.062 10 1 GKCF COc1cc2c(c(OC)c1OC)-c1cc3c(ccn3C)cc1[C@@H](N=[N+]=[N-])CC2 653687667 UVOOHCWHKQZYQU-INIZCTEOSA-N 378.432 5.169 10 1 GKCF CCN(CC)CCC[C@@H](C)Nc1c2ccccc2nc2ccc3ccccc3c12 45302759 RSLCHZXDYVNSFD-LJQANCHMSA-N 385.555 6.464 10 1 GKCF O=C(/N=N/c1c2nc3ccccc3[nH]c-2c2ccccc12)c1ccc([N+](=O)[O-])cc1 169730523 LZVWLWJHMGXMSE-OCEACIFDSA-N 395.378 5.653 10 1 GKCF Fc1c(Cl)cc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2c1F 587078021 FJIXCENJTLYFTB-GBNMTWHSSA-N 392.236 5.974 10 1 GKCF Cc1cc(C)c(O)c(CN(Cc2ccc(F)cc2)C(=S)Nc2ccccc2)c1 45337780 TZBDHYWZRVNCMC-UHFFFAOYSA-N 394.515 5.547 10 1 GKCF O=C(COc1ccc(Cl)cc1Cl)/N=N/c1c(O)[nH]c2ccc(F)cc12 103960748 XBSVOUQJXFARQI-QURGRASLSA-N 382.178 5.009 10 1 GKCF Cc1cc(-c2csc(CCc3ccncc3)n2)c(C)n1-c1ccccc1F 587922811 WXVWMISDHUEHIP-UHFFFAOYSA-N 377.488 5.537 10 1 GKCF COc1ccc2nc3cc(Cl)ccc3c(NCc3ccccc3OC)c2c1 72106660 GMAVFZDBSSUKSB-UHFFFAOYSA-N 378.859 5.671 10 1 GKCF CCCN(CCCCNC(=O)/N=N/c1ccc(F)cc1)C1Cc2ccccc2C1 474609802 VLVNADWTXMPIOQ-CYYJNZCTSA-N 396.510 5.279 10 1 GKCF Nc1ccc(Oc2ccc3nc(CCCCCCCCCCCO)[nH]c3c2)cc1 586894613 OPAFZOSFAJJNAC-UHFFFAOYSA-N 395.547 5.983 10 1 GKCF Cc1ccc(-c2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)cc1F 587922251 MJQDFWZZKMPCMY-UHFFFAOYSA-N 380.463 6.471 10 1 GKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(C(C)(C)C)c2O)N1 587835485 XKBSSKVEENPEDB-VOJFVSQTSA-N 392.312 5.215 10 1 GKCF Cc1cc2c(C(C)C)c(O)c(O)c(C(=O)O)c2cc1Cc1ccc(Cl)cc1 13435939 UVJCQLZLLZFFKA-UHFFFAOYSA-N 384.859 5.625 10 1 GKCF C[C@@H](/N=N/c1nc2ccccc2s1)c1ccc(-c2cccc(CC(=O)O)c2)o1 169730125 XBNUOUNJZHMIJJ-YOJUGNCBSA-N 391.452 6.028 10 1 GKCF CC(C)=CCCC(C)=CCc1c(O)cc(O)c2c(=O)c3ccc(O)c(O)c3oc12 2356406613 AUVRDSMLKZAONH-UHFFFAOYSA-N 396.439 5.004 10 1 GKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc(C)nc4)n3)c2C)c1 587924350 UBHOULYTRAKZJK-UHFFFAOYSA-N 391.565 6.310 10 1 GKCF CN(Cc1ccco1)Cc1cc(-c2ccnc3cc(Cl)ccc23)ccc1O 12024481 CHXPCWXZFWWZER-UHFFFAOYSA-N 378.859 5.486 10 1 GKCF Cc1cc2c(cc1C)N[C@@H](c1ccc(O)cc1O)C1=C(O)CC(C)(C)CC1=N2 103882445 QFUHFWZYTYCPNK-QFIPXVFZSA-N 378.472 5.586 10 1 GKCF CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1COC(=O)/C=C/c1ccc(O)c(O)c1 238774454 JHEQNYHKAUVOSF-SQZBLEGISA-N 384.516 5.453 10 1 GKCF COc1ccc([C@@H]2CC(c3ccc(O)c(C)c3)=NN2c2ccccc2)cc1OC 103285108 FEXDPVHGPCASDW-NRFANRHFSA-N 388.467 5.074 10 1 GKCF CN1/C(=C\c2cc[n+](Cc3ccccc3)c3ccccc23)Sc2ccccc21 202926745 XTJRQUZWPPKXII-UHFFFAOYSA-N 381.524 5.716 10 1 GKCF O=C(O)[C@H]1[C@@H]2CC=C[C@@H]2c2cc(Oc3ccccc3)cc3c2N1C[C@@H]1CC=C[C@@H]31 169295763 JFRAUHQWVZAEAI-AFSNRQRWSA-N 385.463 5.085 10 1 GKCF COC(=O)c1cccc(-c2ccc(C/N=N/c3nc4ccccc4s3)o2)c1 169730129 PNUCZJUGCJYJDZ-XTQSDGFTSA-N 377.425 5.627 10 1 GKCF Cc1ccc(-n2c(C)cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2C)cc1 587512053 KGZOHGQWEBWGBZ-RUZDIDTESA-N 385.507 5.988 10 1 GKCF CC[C@]1(c2ccc(Cl)cc2O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587698393 PXCUSRGEXXKOCU-XTZNXHDOSA-N 398.703 5.135 10 1 GKCF Cc1cc(CN2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(Cl)cc1 653850834 SKHBZHRFTKYNFC-UHFFFAOYSA-N 379.935 5.070 10 1 GKCF Cc1cc2c(cc1C)-c1oc(CNc3ccc(F)cc3F)c(C)c1C(=O)C2=O 1857632401 JDMADIDANJUHGM-UHFFFAOYSA-N 381.378 5.141 10 1 GKCF S=C1c2c(c3ccccc3n2Cc2ccccc2)CCN1Cc1ccccc1 653818614 JHSGEPZZXUFMBU-UHFFFAOYSA-N 382.532 5.423 10 1 GKCF Cc1cccc(-n2c(-c3ccc(F)cc3)cc(CN3CCSCC3)c2C)c1 36472081 RCTFNJQMJNVBSS-UHFFFAOYSA-N 380.532 5.449 10 1 GKCF Oc1cc2c(c(-c3ccc4ccccc4c3)c1O)CCNC[C@H]2c1ccccc1 40943041 IYCKJBWHPUVVIA-QHCPKHFHSA-N 381.475 5.196 10 1 GKCF CC(C)N(CCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12)C(C)C 5732520 BDZXLOYAYMXWIL-UHFFFAOYSA-N 380.492 5.217 10 1 GKCF Cc1ccc2nc(C)cc(/N=N/[C@H](C)c3cn(C)n(-c4ccccc4)c3=O)c2c1 169693553 OFGWWKFMIXBUIT-OZMIJRPQSA-N 385.471 5.186 10 1 GKCF C[C@@H](/N=N/c1nc2ccccc2s1)c1cccc(-c2ccc(C(=O)O)o2)c1 169730174 MJCSWSUEOWRDRY-GHPOMHATSA-N 377.425 6.099 10 1 GKCF CCCCCCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 64436830 JOEFPMRDMQVSIB-DEOSSOPVSA-N 387.527 5.369 10 1 GKCF Oc1ccc(C2=NN(c3cccc(Cl)c3)[C@H](c3cccc(Cl)c3)C2)cc1 1857653625 PYVVBCSYAJFJOP-NRFANRHFSA-N 383.278 6.055 10 1 GKCF O=c1oc2ccccc2cc1-c1csc(/N=N/Cc2cccc(Cl)c2)n1 169693505 UUYLIZAOWUFBON-XTQSDGFTSA-N 381.844 5.854 10 1 GKCF Cc1cc(C)nc(/N=N/c2c(O)n(Cc3ccc(Cl)cc3)c3ccccc23)n1 101757787 ZWZHUUPFBHRHCK-OCEACIFDSA-N 391.862 5.871 10 1 GKCF Oc1c([C@H](Nc2ccccn2)c2cc(Cl)ccc2Cl)ccc2cccnc12 199308487 HIQGIODAOSUAIJ-FQEVSTJZSA-N 396.277 5.844 10 1 GKCF C[C@@]1(c2ccc(N3CCCCCC3)cc2)c2ccc(F)cc2C[C@@H]2CCCN21 963117473 WVHPSDSMGKSZHK-UKILVPOCSA-N 378.535 5.490 10 1 GKCF C[C@@H](CSc1ccc(F)cc1)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587170988 HPCSAFSNQBJBAI-AWEZNQCLSA-N 393.487 5.972 10 1 GKCF Cc1cc2c(N=NC(=O)[C@H]3C[C@H]3c3ccccc3)c(O)[nH]c2cc1Br 253928593 VUIXBYVYDKRWKF-STQMWFEESA-N 398.260 5.358 10 1 GKCF aggregator CC(C)=CCc1c(O)c(CC=C(C)C)c2c(c1O)-c1cc(O)c(O)cc1CC2 5854636 YJJXCOSDPIJFJR-UHFFFAOYSA-N 380.484 5.292 10 3 GKCF endogenous,in-man CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(-c3ccccc3F)c1C)CC2=O 587468341 UJOWKWFLQCELSL-HSZRJFAPSA-N 393.458 5.598 10 1 GKCF Cc1ccc(-n2c(C)cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2C)c(C)c1 587512155 LLBFLDRFHWIGPA-SANMLTNESA-N 399.534 6.296 10 1 GKCF O=C(COc1ccc2ccccc2c1)N=Nc1c(O)[nH]c2ccc(Cl)cc12 617960301 BLKWWXDQHSOSPN-UHFFFAOYSA-N 379.803 5.369 10 1 GKCF CN(C)c1ccc(/C=C/c2cc3ccc(I)cc3o2)cc1 40950186 MUVUVGAWOQPUGI-BJMVGYQFSA-N 389.236 5.274 10 1 GKCF Nc1ccc(Oc2ccc3nc(-c4cccc(F)c4C(F)(F)F)[nH]c3c2)cc1 587097158 FVNXEKFNCFQJCR-UHFFFAOYSA-N 387.336 5.762 10 1 GKCF Cc1cc(-c2csc(Cc3ccccc3Cl)n2)c(C)n1-c1ccccc1F 587922668 RXEZTUZZVNOXES-UHFFFAOYSA-N 396.918 6.601 10 1 GKCF Cc1ccc2ccc([C@@H](Nc3cccnc3)c3ccc(F)cc3F)c(O)c2n1 1772574987 ISKWEYASHCHZGO-NRFANRHFSA-N 377.394 5.124 10 1 GKCF CN1c2ccc(Cl)cc2[C@@]2(C)c3c[nH]cc3-c3c([nH]c4ccc(Cl)cc34)[C@H]12 2356712704 LDQFIYNIQYYGSV-VXKWHMMOSA-N 394.305 6.280 10 1 GKCF Cc1cc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@H]43)[nH]c2cc1F 587277506 XJBXSQWYBHQJFI-LRDNONRASA-N 378.407 5.054 10 1 GKCF CN(Cc1ccc(-c2ccccc2)cc1)c1ccc(CN2CCSCC2)cc1 5849921 VAZZEBRYQVYRNZ-UHFFFAOYSA-N 388.580 5.539 10 1 GKCF Cc1cnc(SCc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)s1 586994452 SNIYILGCKULLIS-UHFFFAOYSA-N 390.489 5.209 10 1 GKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4ccccc4N)n3)c2C)c1 587924227 NECPZNNLLSFKHX-UHFFFAOYSA-N 391.565 6.189 10 1 GKCF Cn1cccc1CN1CCc2sccc2[C@@H]1c1c(O)ccc(Cl)c1Cl 962398810 NXISUFJPKYPQFD-LJQANCHMSA-N 393.339 5.247 10 1 GKCF CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(F)ccc1Br 1857774990 WACPEEPLFQOMTJ-OQLLNIDSSA-N 393.643 5.048 10 1 GKCF COc1cc2c3c(c1)O[C@H](c1cc(C)n(-c4ccc(C)c(C)c4)c1C)[C@@H](C2)C3=O 587431003 LLXPHTXFTPYHEB-SQJMNOBHSA-N 387.479 5.208 10 1 GKCF Cc1cc2[nH]c([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)nc2cc1[N+](=O)[O-] 587081080 RENRWRIWHFUSFF-QUJCMNEKSA-N 380.835 5.259 10 1 GKCF O=S(=O)(O)c1ccc2c(N=Nc3c(O)ccc4ccccc34)cccc2c1 261086093 COUYJSSQPKTVIQ-UHFFFAOYSA-N 378.409 5.361 10 1 GKCF Oc1ccc(C2=NN(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)C2)cc1O 1857655500 MQKSXCWBYQNCLU-LJQANCHMSA-N 399.277 5.760 10 1 GKCF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cc(C(F)(F)F)c(F)cc2O)N1 962958423 QAUVXONFZBFGGM-APBUJDDRSA-N 378.369 5.045 10 1 GKCF Oc1ccccc1[C@@H]1CC(c2ccccc2)=NN1c1nc(-c2ccccc2)cs1 1857545216 SBNQWXPTENPAGN-QFIPXVFZSA-N 397.503 5.871 10 1 GKCF CCN(CC)CCC[C@H](C)Nc1c2ccccc2nc2ccc3ccccc3c12 45302760 RSLCHZXDYVNSFD-IBGZPJMESA-N 385.555 6.464 10 1 GKCF Cc1ccccc1NC(=S)N1N=C(c2ccc(O)cc2)C[C@@H]1c1cccs1 45337761 XZBJDMCMULVGCP-LJQANCHMSA-N 393.537 5.310 10 1 GKCF O=C(O)c1cc2c3c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N3C[C@H]1CC=C[C@H]21 4126729 AZRBPQNKAPCMOS-WPUDHWPRSA-N 387.454 5.418 10 1 GKCF Nc1ccc(Oc2ccc3nc(Cn4ccc5ccc(Cl)cc54)[nH]c3c2)cc1 587081071 RAPOMIZFRJAYKH-UHFFFAOYSA-N 388.858 5.594 10 1 GKCF CCCCc1ccc(-n2c(C)cc3c2CC(C)(C)CC3=O)c(Br)c1 587936656 MASCJLYAXPZAMN-UHFFFAOYSA-N 388.349 6.046 10 1 GKCF CCc1ccc(CC)n1-c1cccc(-c2ccc(OCc3ccccc3)cc2)c1 587936989 FNFSBFSQGQSLLY-UHFFFAOYSA-N 381.519 6.848 10 1 GKCF O=C1CCCN1[C@@H](c1ccccc1Br)c1c(O)ccc2ccccc12 1772643299 MMJJSWVBEWYDCD-NRFANRHFSA-N 396.284 5.020 10 1 GKCF Nc1ccc(Oc2ccc3nc(-c4[nH]c5ccc(F)cc5c4Cl)[nH]c3c2)cc1 587174296 GQEQMVLBJGMVHR-UHFFFAOYSA-N 392.821 5.878 10 1 GKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(C)(C)C)ccc2O)N1 587823002 SAAAWXAWAJHCKB-WYRIXSBYSA-N 392.312 5.215 10 1 GKCF COc1cc2c(c3c1C[C@@H]1[C@H]3[C@@H](c3ccc(O)c(O)c3)C1(C)C)C=CC(C)(C)O2 13373196 SXWKVOUWXXHZAC-ZGNKEGEESA-N 392.495 5.370 10 1 GKCF biogenic CCN(CC)CCCC[C@@H](C)Nc1c2ccccc2nc2cc(Cl)ccc12 13557618 DVJVBCFTKCFSOM-QGZVFWFLSA-N 383.967 6.354 10 1 GKCF CCCN(CCCNc1ccnc2cc(Cl)ccc12)Cc1cc(O)ccc1O 36474430 YVRXLAWNMJAVDC-UHFFFAOYSA-N 399.922 5.014 10 1 GKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4c([N+](=O)[O-])cccc4[nH]3)cc2)cc1 587196059 PTPCEDBXTCLBLT-UHFFFAOYSA-N 386.415 5.620 10 1 GKCF Cc1cc(-c2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)ccc1F 587922179 KZHKEZHTVJQUQN-UHFFFAOYSA-N 380.463 6.471 10 1 GKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C(C)(C)C)cc2O)N1 587822174 LQRHTAAMJFDPSJ-JEOXALJRSA-N 392.312 5.215 10 1 GKCF COc1cc2cc3c(nc2c(CN2CCCC2)c1O)-c1ccc(C)cc1SC3 103268084 HDHUPOYJGOUUJG-UHFFFAOYSA-N 392.524 5.126 10 1 GKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(C(C)(C)C)c2O)N1 587833851 PNHGLVSWWJOHGK-ZMZPIMSZSA-N 392.312 5.215 10 1 GKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc4ncccc4c3[nH]1)[C@@H]1CC=C[C@H]21 587276800 NNTHYPVHSWUUED-KIMHZCHSSA-N 397.438 5.154 10 1 GKCF CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(Nc3ccc(N)cc3)c2)[nH]1 1772582640 ZTEDFSIIEDNHLZ-UHFFFAOYSA-N 391.475 5.326 10 1 GKCF Oc1ccc2[nH]c(-c3ccccc3)nc2c1CN1CCC(c2ccccc2)CC1 84604786 ZHBCHBKBPABMRQ-UHFFFAOYSA-N 383.495 5.315 10 1 GKCF Cc1ccc(-c2ccc(F)cc2)n1-c1ccc(-c2nc3ccccc3s2)cc1 96932999 BXCIHNPYOCBSHG-UHFFFAOYSA-N 384.479 6.869 10 1 GKCF CCc1cc(OCc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)ccc1Cl 587053011 YMIUBJRFIKKZSM-UHFFFAOYSA-N 393.874 5.732 10 1 GKCF Cc1cccc(CN(Cc2ccc(F)cc2)C(=S)Nc2ccccc2)c1O 45335662 AQOVRLPHUSWQJQ-UHFFFAOYSA-N 380.488 5.239 10 1 GKCF C[C@@H](/N=N/c1nc2ccccc2s1)c1cccc(-c2cncc(C(=O)O)c2)c1 169730148 OWBRPNVYXLSREW-YSMKLKLISA-N 388.452 5.901 10 1 GKCF Cc1ccc2c(ccc3nc([C@H]4Nc5ccc(Cl)cc5[C@H]5C=CC[C@H]54)[nH]c32)n1 587078068 GQLUIPFWUGJQBH-KIMHZCHSSA-N 386.886 5.899 10 1 GKCF O=C(O)CCc1ccc(-c2cccs2)n1-c1ccc(O)c(-c2ccccc2)c1 587925349 GBZLSXDMAWEDKL-UHFFFAOYSA-N 389.476 5.596 10 1 GKCF Cc1cc(Br)c(O)c([C@H]2NCCc3c(Cl)cc(Cl)cc32)c1 963113177 VOFKCJPYSNSMTK-HNNXBMFYSA-N 387.104 5.005 10 1 GKCF Cc1c(CNC2CCCCC2)cc(-c2ccc(Cl)cc2)n1-c1ccc(F)cc1 1857581639 FCIHODNZRWFZIE-UHFFFAOYSA-N 396.937 6.668 10 1 GKCF C[C@@H]1S[C@@H](c2ccccc2)N(Nc2c3ccccc3nc3ccccc23)C1=O 5551453 NMQHAXOMRNMCCO-WNSKOXEYSA-N 385.492 5.378 10 1 GKCF CN(CCC=C1c2ccccc2CCc2ccccc21)[C@@H]1CCCC[C@@H]1CO 299858556 DSXXQCRHGGFECW-ATIYNZHBSA-N 375.556 5.090 10 1 GKCF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(-c3ccccc3C)c1C)CC2=O 587471485 RQUNHBQPHXMZGH-XMMPIXPASA-N 389.495 5.767 10 1 GKCF COc1ccccc1NC1=NC(=O)/C(=C/c2ccc(Cl)c(Cl)c2)S1 95755399 CMORFDSOEPNLEV-DHDCSXOGSA-N 379.268 5.084 10 1 GKCF CCN(CC)CCC[C@H](C)Nc1c2ccc(OC)cc2nc2ccc(Cl)cc12 5649824 BISXMOLWCVLZKE-INIZCTEOSA-N 399.966 5.972 10 1 GKCF CCOc1cc(N(CC)CC)ccc1[C@@H]1c2cc(OC)ccc2CCN1C(C)C 962096849 ZYWITBXDCWKSHG-RUZDIDTESA-N 396.575 5.296 10 1 GKCF Cc1ccc2c(c1)c([C@@H]1Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c(C)n2C 587574480 BDHBGFJOIJBHEQ-RDGATRHJSA-N 399.446 5.204 10 1 GKCF C[C@]1(c2cc3ccccc3cc2O)c2cccc(F)c2CCN1[C@@H]1CCSC1 962696463 FLZKXSFDUXRAGO-HOYKHHGWSA-N 393.527 5.312 10 1 GKCF Oc1c(CN2CCCCCC2)ccc2c1CCN(CCCCc1ccccc1)C2 26482813 PKXQAXLRYCUFOX-UHFFFAOYSA-N 392.587 5.149 10 1 GKCF Cc1cccc(-c2cc(CN3CCSCC3)c(C)n2-c2ccc(F)cc2)c1 36471844 MLOXDJOOJSXCAM-UHFFFAOYSA-N 380.532 5.449 10 1 GKCF O=C(c1ccccc1NCc1ccc2ncccc2c1)c1c[nH]c2ccc(F)cc12 40394698 JAKMHUPTAUWOQU-UHFFFAOYSA-N 395.437 5.698 10 1 GKCF Cc1cc2c(n1-c1cccc(-c3ccc(OCc4ccccc4)cc3)c1)CCCC2 587938280 TVQGLDCJZKJJNH-UHFFFAOYSA-N 393.530 6.911 10 1 GKCF CCCN1[C@H](c2ccc(N3CCCCC3)cc2Cl)c2ccccc2C[C@H]1C 963225730 FWJQKXXGMSHNLW-KOSHJBKYSA-N 382.979 6.076 10 1 GKCF Fc1ccc(N2CCN(c3c4ccccc4nc4c(Cl)cccc34)CC2)cc1 1857586002 VFFRWMYXCLGOKH-UHFFFAOYSA-N 391.877 5.507 10 1 GKCF Cc1ccc(NC(=S)N2N=C(c3ccc(O)cc3)C[C@H]2c2cccs2)cc1 45374350 BQOGGWQWGYBSDX-IBGZPJMESA-N 393.537 5.310 10 1 GKCF Nc1ccc(CNc2ncnc3oc(-c4ccccc4)c(-c4ccccc4)c23)cc1 53313422 YEQBDZQJZDWCJS-UHFFFAOYSA-N 392.462 5.751 10 1 GKCF C[C@]12CC[C@@H]3c4ccc(O)c(O)c4CC[C@H]3[C@@H]1Cc1c2nc2cccc3c2c1CC3 587216134 SMVKQBMLJGNESQ-OQEAFZGDSA-N 397.518 5.315 10 1 GKCF Cc1c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n(C)c2ccccc12 587759285 ZVPYJKDQRUUZCP-WYRIXSBYSA-N 387.296 5.012 10 1 GKCF Cc1cc2c(N=NC(=O)[C@@H]3C[C@@H]3c3ccccc3)c(O)[nH]c2cc1Br 253928579 VUIXBYVYDKRWKF-CHWSQXEVSA-N 398.260 5.358 10 1 GKCF aggregator COc1cc2c3c(c1)O[C@H](c1cc(C)n(-c4ccc5c(c4)CCC5)c1C)[C@@H](C2)C3=O 587432022 SYIRRLVBJNECHB-BKMJKUGQSA-N 399.490 5.080 10 1 GKCF CC(C)(C)c1cccc([C@H]2c3cccc(F)c3CCN2[C@@H]2CCSC2)c1O 962720859 XEQBUDKGUXLKGN-QVKFZJNVSA-N 385.548 5.282 10 1 GKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(C)(C)C)ccc2O)N1 587823888 XAEPQDAZLKNYEH-WYRIXSBYSA-N 392.312 5.215 10 1 GKCF O=C(NCCCCCCNc1c2ccccc2nc2ccccc12)c1ccccc1 6095778 JTYVPRRAWICLKB-UHFFFAOYSA-N 397.522 5.790 10 1 GKCF biogenic Cc1cc2c(N=NC(=O)[C@H]3C[C@@H]3c3ccccc3)c(O)[nH]c2cc1Br 253928584 VUIXBYVYDKRWKF-OLZOCXBDSA-N 398.260 5.358 10 1 GKCF aggregator CN(C)c1ccc(N=Nc2ccc(-c3nc4c(cnc5ccccc54)[nH]3)cc2)cc1 587195085 FYQMYDJVNNEOPN-UHFFFAOYSA-N 392.466 6.260 10 1 GKCF Nc1ccc(Oc2ccc3[nH]c(-c4ccc(-c5ccccc5N)cc4)nc3c2)cc1 587251042 XEYVFGMVLHWTND-UHFFFAOYSA-N 392.462 5.854 10 1 GKCF C[C@]1(c2cccc(-c3ccccc3)c2O)NCCc2c(Cl)cc(Cl)cc21 963115861 AYIKXZIUZSFNIN-JOCHJYFZSA-N 384.306 5.775 10 1 GKCF CCN(CC)CCCc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 26578756 MQQQGPSBAJLKJQ-UHFFFAOYSA-N 383.539 6.406 10 1 GKCF O=[N+]([O-])c1cc([N+](=O)[O-])c(N=[N+](c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 95777422 MGJZITXUQXWAKY-UHFFFAOYSA-N 394.323 5.030 10 1 GKCF Cc1cc(-c2nnc3n2CCCCC3)c(C)n1-c1ccc(Cl)c(Cl)c1 103225944 XPTYTHZOTIZQJV-UHFFFAOYSA-N 375.303 5.386 10 1 GKCF C[C@@H]1CCc2sc(-c3nc4c5c(ccc4[nH]3)C(=O)c3ccccc3C5=O)cc2C1 587033208 HDVRCWDJZSMNQG-GFCCVEGCSA-N 398.487 5.192 10 1 GKCF Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1nc3cc(Cl)nc(Cl)c3[nH]1)N2 587078600 XBLCOZOLMWOBFB-WMFXKJRFSA-N 391.689 5.745 10 1 GKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cnc4ccccc4c3[nH]1)[C@@H]1CC=C[C@@H]21 587275365 CVFCXTHMRIGLRJ-HLFMIMNKSA-N 397.438 5.154 10 1 GKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(C)(C)C)ccc2O)N1 587822999 SAAAWXAWAJHCKB-NSPYISDASA-N 392.312 5.215 10 1 GKCF COc1cc2c(/C=C3/C(=O)Nc4cccc(Cl)c43)c(Cl)n(C)c2cc1C 28655906 IPOVLKUAZROXPJ-MDWZMJQESA-N 387.266 5.295 10 1 GKCF Cc1ccc(-c2nc(-c3nc4ccc(Oc5ccc(N)cc5)cc4[nH]3)cs2)o1 587015812 BTFNJNLUJHSYOK-UHFFFAOYSA-N 388.452 5.629 10 1 GKCF CCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccc(N)cc4)c3c2C)cc1 28756433 DJTCIJFILSSISZ-UHFFFAOYSA-N 387.487 5.070 10 1 GKCF CC[n+]1c(/C=C/C=C/N2CCCc3ccccc32)sc2ccc3ccccc3c21 38940403 IKYWHUQQPHNDJY-UHFFFAOYSA-N 397.567 6.342 10 1 GKCF O=C(CSc1nnc2c(n1)[nH]c1ccccc12)c1ccc(-c2ccccc2)cc1 85425143 GDBZIUKVGZBIRK-UHFFFAOYSA-N 396.475 5.148 10 1 GKCF CC1=C(O)[C@@](C)(CCCCC[C@H](C)CCCCc2ccc(O)c(O)c2)OC1=O 1857760171 NDMXTVSFATUCSK-QMHKHESXSA-N 390.520 5.545 10 1 GKCF Cc1nc2sc3cccc(Cl)c3n2c(=O)c1/N=N/c1ccc(Cl)cc1 6009783 PMAANTJSXRDRNZ-QURGRASLSA-N 389.267 5.940 10 1 GKCF CCN(CC)Cc1c(O)cc(F)c(Nc2ccnc3cc(Cl)ccc23)c1F 28769263 AVUGUFZQANAYJK-UHFFFAOYSA-N 391.849 5.457 10 1 GKCF CN1CCc2c(Br)cccc2[C@@]1(C)c1ccc2ccccc2c1O 963280635 OGEPAPHFTRMGQX-NRFANRHFSA-N 382.301 5.059 10 1 GKCF CNc1c(-c2ccc(O)c(O)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587626938 ZUGMKMMZSBVZDG-UHFFFAOYSA-N 390.283 5.325 10 1 GKCF Cc1cc(-c2csc(C(C)(C)c3ccccc3)n2)c(C)n1-c1ccccc1F 587921881 DWDROGGSBMDFQO-UHFFFAOYSA-N 390.527 6.683 10 1 GKCF Nc1ccc(Oc2ccc3nc([C@@H]4C[C@H]4c4cccc(F)c4F)[nH]c3c2)cc1 587151147 GVMDDDQBEHYDRO-DLBZAZTESA-N 377.394 5.487 10 1 GKCF CCC(=O)c1ccc2c(c1)/C(=C\[C@@H](C)CN(C)C)c1cc(Cl)ccc1S2 40511566 WSGBRQKGLNKDSU-NGWPFTMJSA-N 385.960 6.027 10 1 GKCF Cc1cc(CN2CCN([C@H]3C[C@@H]4CC[C@H]3C4)CC2)c(C)n1-c1ccc(Cl)cc1 653846196 FPGWBJSOQBSDOU-NMMYMHLASA-N 397.994 5.054 10 1 GKCF COc1cc(O)c(CC=C(C)C)c(/C=C/c2ccc(O)c(O)c2)c1CC=C(C)C 13373186 HVVFVBLYRGEPSP-XYOKQWHBSA-N 394.511 6.000 10 1 GKCF CC1=CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1COC(=O)C=Cc1ccc(O)c(O)c1 2356601096 JHEQNYHKAUVOSF-MEKIYTOJSA-N 384.516 5.453 10 1 GKCF CCC(C)(C)c1ccc(-c2nc3c4c(ccc3[nH]2)C(=O)c2ccccc2C4=O)cc1 586880943 IPNHKJOBRMTFPH-UHFFFAOYSA-N 394.474 5.693 10 1 GKCF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)n(-c3ccc(C(C)C)cc3)c1C)O2 587390516 QVYONKWRXFQONM-DEOSSOPVSA-N 388.511 5.815 10 1 GKCF COc1cc2c(c(O)c1OCC=C(C)CCC=C(C)CCC=C(C)C)CNC2=O 2356551726 PHOZASLNSDMYGR-UHFFFAOYSA-N 399.531 5.442 10 1 GKCF Cn1c(-c2ccc(-n3cccc3)cc2)nnc1C1(c2ccc(Cl)cc2)CCC1 40953931 JPLLVYRQKLXUGS-UHFFFAOYSA-N 388.902 5.396 10 1 GKCF Oc1ccc(C2=NN(c3ccc(Cl)cc3)[C@H](c3cccc(Cl)c3)C2)cc1 1857766127 VTPGYBNMLSMRMN-NRFANRHFSA-N 383.278 6.055 10 1 GKCF CC(C)=CCc1c(CCc2ccc(O)cc2O)cc(O)c(O)c1CC=C(C)C 238768304 CQZSYWYQTMUXRN-UHFFFAOYSA-N 382.500 5.312 10 1 GKCF COc1cc(/C=C\c2nc3c4ccccc4c4ccccc4c3[nH]2)cc(O)c1O 587785333 LKFPBEQWMMLJDJ-KHPPLWFESA-N 382.419 5.460 10 1 GKCF C[C@@H](/N=N/c1cc(-c2ccccc2)nc(-c2ccccc2)n1)c1ccc(O)cc1 169691855 HJERGLXRHXRFAH-HEMLFMHRSA-N 380.451 6.361 10 1 GKCF [N-]=[N+]=NCCCCCCc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587260719 ZRMSMKALGRVNAY-UHFFFAOYSA-N 390.207 5.757 10 1 GKCF COc1ccc(-c2[nH]c3c(C(=O)O)cccc3c2-c2ccc(Cl)cc2)cc1 587638866 RRNSTCOGIHAPBR-UHFFFAOYSA-N 377.827 5.862 10 1 GKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4c(Cl)nccc4[nH]3)cc2)cc1 587194759 ASLGIKPVOIULBA-UHFFFAOYSA-N 376.851 5.760 10 1 GKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4nc(C(C)(C)C)ccc4[nH]3)cc2)cc1 587196022 OVBBSTGWTKKTGS-UHFFFAOYSA-N 398.514 6.404 10 1 GKCF CC(C)c1ccc(O)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587820001 CKJNYGLWYMFCBQ-MPBGBICISA-N 392.312 5.215 10 1 GKCF CCN(CC)c1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587739886 HRTQOOSDROBXMC-RNODOKPDSA-N 391.328 5.058 10 1 GKCF COc1cc(C2(c3nc4ccc(Oc5ccc(N)cc5)cc4[nH]3)CC2)ccc1C 587925643 BXALYYXGPJPZDL-UHFFFAOYSA-N 385.467 5.334 10 1 GKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc4ncccc4c3[nH]1)[C@@H]1CC=C[C@@H]21 587276799 NNTHYPVHSWUUED-HLFMIMNKSA-N 397.438 5.154 10 1 GKCF CC(=O)OC1=C2CC[C@H]3[C@@H]4CCC(=S)[C@@]4(C)CC[C@@H]3[C@@]2(C)CCC1=S 40937727 OSTCUYWCUCIELX-VMRCMBGLSA-N 376.587 5.580 10 1 GKCF Cc1ccc(C(=C/Cc2ccco2)/N=N/c2nc3ccccc3c(=O)n2C)cc1 169720505 QMBYNJSBFIHANR-ZKMJRSMRSA-N 384.439 5.202 10 1 GKCF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2cc(C(F)(F)F)c(F)cc2O)N1 962958430 QAUVXONFZBFGGM-DGIBIBHMSA-N 378.369 5.045 10 1 GKCF CC(=O)Nc1c(C)cc(C)c2c1C(=O)C(=O)c1c(-c3ccccc3C)csc1-2 45288822 QWZIEXBYCNLBIS-UHFFFAOYSA-N 389.476 5.345 10 1 GKCF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(-c3ccc(F)cc3)c1C)CC2=O 587472043 OZOBBPMXDJPGPB-HSZRJFAPSA-N 393.458 5.598 10 1 GKCF COc1cc2[nH]c(-c3ccc(N=Nc4ccc(N(C)C)cc4)cc3)nc2cc1F 587194980 DRNQGABLWUBUFL-UHFFFAOYSA-N 389.434 5.859 10 1 GKCF Cc1ccc2cc(/C=C3\C=C(c4ccc5ccccc5c4)OC3=O)c(Cl)nc2c1 1857554926 VBDJKOIWYVZPAU-FYJGNVAPSA-N 397.861 6.331 10 1 GKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4cc5c(cc4[nH]3)OCCO5)cc2)cc1 587196364 TWZHKSIDAWNSQF-UHFFFAOYSA-N 399.454 5.483 10 1 GKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(Cl)c3[nH]1)[C@@H]1CC=C[C@@H]21 587271811 JBSKYQCRMQWRQG-VFVRVIDISA-N 380.835 5.259 10 1 GKCF C[C@]1(c2ccc(N3CCCCCC3)cc2)c2ccc(F)cc2C[C@H]2CCCN21 963117471 WVHPSDSMGKSZHK-NOZRDPDXSA-N 378.535 5.490 10 1 GKCF COc1ccc(N2CCN3C[C@H]2CC[C@@H]3C(c2ccccc2)c2ccccc2)cc1 58623063 RMIUMOINQIRNDK-AOYPEHQESA-N 398.550 5.180 10 1 GKCF CCC(=O)c1ccc2c(c1)/C(=C\[C@H](C)CN(C)C)c1cc(Cl)ccc1S2 40511567 WSGBRQKGLNKDSU-FBJMNJBLSA-N 385.960 6.027 10 1 GKCF CCN(CC)CCC[C@@H](C)Nc1c2ccccc2nc2c1ccc1ccccc12 45188319 MLSWCLRJLYCDHG-LJQANCHMSA-N 385.555 6.464 10 1 GKCF Cc1ccn(CCc2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)n1 587922326 ONTZJPXRGJKNOI-UHFFFAOYSA-N 380.492 5.104 10 1 GKCF Cc1cc(-c2csc(Cc3ccc(F)cc3)n2)c(C)n1-c1ccccc1F 587922768 UDPOGMYQUNLYLP-UHFFFAOYSA-N 380.463 6.087 10 1 GKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4cccc(O)c4)n3)c2C)c1 587924100 FENOKSCFASOYPG-UHFFFAOYSA-N 392.549 6.312 10 1 GKCF Cc1c(CNC2CCCCC2)cc(-c2ccc(Cl)cc2)n1-c1ccc(O)cc1 1857620046 BEDPRLLCTKHBCV-UHFFFAOYSA-N 394.946 6.234 10 1 GKCF COC(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)c(N(C)C)c1 29338568 WVDVDYXAWVWPKK-UHFFFAOYSA-N 386.455 5.376 10 1 GKCF O=C(N[C@H](c1c(O)ccc2ccccc12)c1c[nH]c2ccccc12)c1ccccc1 98084250 AYHGOZKUDSKNTN-VWLOTQADSA-N 392.458 5.546 10 1 GKCF O=C(/N=N/c1c2[nH]c3ccccc3nc-2c2ccccc12)c1ccccc1Cl 169730530 PDQBPAQZVJBUDF-CYYJNZCTSA-N 384.826 6.398 10 1 GKCF CCOP(=O)(OCC)O[C@H](Nc1ccc(C)cc1)c1ccc(N(C)C)cc1 43015701 QSDOVRLPBHJLOP-FQEVSTJZSA-N 392.436 5.369 10 1 GKCF CN(C)c1ccc(/C=C/c2ccc(-c3ccc(Br)s3)s2)cc1 72171090 FBLYFCHBJODTIC-VMPITWQZSA-N 390.371 6.476 10 1 GKCF CC(=O)C[C@H](C)c1ccc(OC2CN(c3ccc(OC4CCCC4)cc3)C2)cc1 96172833 GFPQMTVFAUVQLV-SFHVURJKSA-N 393.527 5.358 10 1 GKCF COc1ccc([C@@H](Cc2ccc(N)cc2)c2ccccc2)cc1OC1CCCC1 13441970 QCGCIBJTKDZRHA-DEOSSOPVSA-N 387.523 5.973 10 1 GKCF CN(C)c1ccc(/C=C/c2ccc(NCc3cc(N(C)C)ccc3O)cc2)cc1 96926965 JDOVFUYIDKBDIZ-AATRIKPKSA-N 387.527 5.307 10 1 GKCF Oc1[nH]c2ccc(Br)cc2c1/N=N\c1ccc(C(F)(F)F)cn1 13123365 OEIPRFLUNMBQOL-DQRAZIAOSA-N 385.143 5.465 10 1 GKCF Cc1c(C(=O)O)cccc1-c1ccc([C@H](C)/N=N/c2nc3ccccc3s2)o1 169730173 OIEGXMMZWNRSBO-LRNBNYQNSA-N 391.452 6.408 10 1 GKCF CCOC(=O)Nc1cc(CO)cc(Nc2c3ccccc3nc3ccccc23)c1 27520262 HHFKXMNZFGOYPD-UHFFFAOYSA-N 387.439 5.192 10 1 GKCF CCN(CC)c1ccc(/N=N/c2ccc(-c3nc4cccnc4s3)cc2)cc1 18067045 YBRWUZQEDAGCAK-OCEACIFDSA-N 387.512 6.620 10 1 GKCF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)n(Cc3ccccc3)c3ccccc13)O2 587391680 TVBXYJUTTVSHID-XMMPIXPASA-N 396.490 5.595 10 1 GKCF Cc1c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n(C)c2ccccc12 587759282 ZVPYJKDQRUUZCP-NSPYISDASA-N 387.296 5.012 10 1 GKCF Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)O)cc12 1857603143 ZUVKVOQUSMLYQL-UHFFFAOYSA-N 399.446 5.370 10 1 GKCF Oc1ccccc1CNc1ccc(Oc2ccc(Cl)cc2O)c(Cl)c1 28529166 NGTGVQTUBRPBQO-UHFFFAOYSA-N 376.239 5.809 10 1 GKCF Nc1ccc(Oc2ccc3nc(C4(Cc5ccc(Cl)cc5)CC4)[nH]c3c2)cc1 587073068 AOIVESQCYSFNQX-UHFFFAOYSA-N 389.886 5.865 10 1 GKCF Cc1ccc([C@@H]2C3=C(CC(C)(C)CC3=S)Oc3ccc4ccccc4c32)cc1 103272242 MMZKOKPTSZMSEU-QHCPKHFHSA-N 384.544 7.117 10 1 GKCF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)n(-c3ccc(Cl)cc3)c1C)O2 587379768 KSONLCUNEMRUKQ-NRFANRHFSA-N 380.875 5.345 10 1 GKCF CCOc1ccc(/C=C2\C(=O)N(c3ccc(C(C)C)cc3)N=C2C)cc1OC 95554115 ATRSCIWRGDUMLO-MOSHPQCFSA-N 378.472 5.023 10 1 GKCF Cc1c(C(=O)O)cccc1-c1ccc(C/N=N/c2nc3ccccc3s2)o1 169730115 FKNAQRMPSQVJPY-XTQSDGFTSA-N 377.425 5.847 10 1 GKCF O=C(O)CCc1ccc(-c2ccccc2)n1-c1ccc(O)c(-c2ccccc2)c1 587927937 ZZXITKJZEKLCKD-UHFFFAOYSA-N 383.447 5.534 10 1 GKCF COc1cc2c(c(O)c1OC/C=C(/C)CC/C=C(/C)CCC=C(C)C)CNC2=O 212293536 PHOZASLNSDMYGR-NGEVDRGDSA-N 399.531 5.442 10 1 GKCF Cc1cc(O)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl 587697589 WYWXAKVGTLKNQV-MLCYQJTMSA-N 398.703 5.053 10 1 GKCF Oc1cc(C(F)(F)F)ccc1[C@@H]1c2ccsc2CCN1Cc1cccnc1 962999862 ZFRUOGNSCDXTCK-LJQANCHMSA-N 390.430 5.015 10 1 GKCF Fc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2 13151538 PATGJBRXGOWEMN-CRTZDJKQSA-N 388.236 5.143 10 1 GKCF Oc1c([C@@H](Nc2ccc(F)cn2)c2ccc(F)cc2Cl)ccc2cccnc12 202327378 WAXACFSQQUNXME-FQEVSTJZSA-N 397.812 5.469 10 1 GKCF CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)c(F)c(F)c1O 28769118 RAPIMOUJVAFMOT-UHFFFAOYSA-N 391.849 5.457 10 1 GKCF COc1ccc(C=O)c2cc(-c3nc4cc(Oc5ccc(N)cc5)ccc4[nH]3)oc12 586903791 NLGLDGBSOZOIQY-UHFFFAOYSA-N 399.406 5.172 10 1 GKCF CCCc1c(O)ccc2c1O[C@H](c1c(C)n(CC(C)C)c3ccccc13)CC2=O 587470236 JNSFJMSCDAUJSZ-QHCPKHFHSA-N 391.511 5.970 10 1 GKCF Cc1c(CN2CCSCC2)cc(-c2ccc(F)cc2)n1-c1ccc(F)cc1 53166485 OREKIOHQZNWTAI-UHFFFAOYSA-N 384.495 5.280 10 1 GKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(Cl)c3[nH]1)[C@@H]1CC=C[C@H]21 587271807 JBSKYQCRMQWRQG-JCGVRSQUSA-N 380.835 5.259 10 1 GKCF O=C(O)c1ccc(C[n+]2c(-c3ccccc3)csc2Nc2ccccc2)cc1 2358619 HGDUJDKPEPQLSD-UHFFFAOYSA-O 387.484 5.193 10 3 GKCF NCCCCc1ccc(Nc2c3ccccc3nc3cc([N+](=O)[O-])ccc23)cc1 26847037 FKGYWBNPISHWIQ-UHFFFAOYSA-N 386.455 5.321 10 1 GKCF Clc1cc(C2=NN[C@H](c3ccc(N4CCCCC4)cc3)C2)c(Cl)s1 103223515 UPFFVWQBRUABTA-HNNXBMFYSA-N 380.344 5.484 10 1 GKCF C[C@H]1C(c2ccccc2O)=NN(c2cccc(Cl)c2)[C@H]1c1ccc(O)c(F)c1 299831588 QVZNQKWYDREXEZ-WHEQGISXSA-N 396.849 5.492 10 1 GKCF COc1ccc2c(c1)C[C@@H](c1nc3ccc(Oc4ccc(N)cc4)cc3[nH]1)CC2 587945010 DFFSLLMVKJTDQI-INIZCTEOSA-N 385.467 5.219 10 1 GKCF CCN1/C(=C/c2sc3cc(OC)c(OC)cc3[n+]2CC)C=Cc2ccccc21 5585976 YPIJKLMLOHVYQN-UHFFFAOYSA-N 393.532 5.120 10 1 GKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4nc(Cl)ccc4[nH]3)cc2)cc1 587196291 SBGGCWBCEFLRKT-UHFFFAOYSA-N 376.851 5.760 10 1 GKCF Cc1cc(Cl)ccc1-c1cc(CN2CCOCC2)c(C)n1-c1ccc(F)cc1 1857654707 JVXAYKUPIGOVAZ-UHFFFAOYSA-N 398.909 5.386 10 1 GKCF CC(C)=CCCC(C)=CCCC(C)=CCC[C@@]1(C)C=Cc2c(ccc(O)c2O)O1 2356452146 HDKOYWYEMWGKBR-SANMLTNESA-N 396.571 7.462 10 1 GKCF CC(C)=CCOc1cc(O)cc(C=Cc2ccc(O)c(O)c2)c1CC=C(C)C 2356587791 XJZGVSRLSKETIL-UHFFFAOYSA-N 380.484 5.828 10 1 GKCF Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1nc3c(Cl)c(Cl)cnc3[nH]1)N2 587078090 HHQBTIORAIQUQR-WMFXKJRFSA-N 391.689 5.745 10 1 GKCF CCN(CC)c1ccc(CN(C(=O)C2CCCCC2)c2ccc(C)cc2)cc1 95583030 VKXJDFPRMZJEGP-UHFFFAOYSA-N 378.560 5.955 10 1 GKCF O=C1c2ccccc2C(=O)c2c1ccc1c3ccccc3n(Cc3ccccc3)c21 5582222 XNYJGKHSDWJGMA-UHFFFAOYSA-N 387.438 5.618 10 1 GKCF CNc1cc(NC(=O)OC)ccc1Nc1c2ccccc2nc2cc(F)ccc12 29335370 WSXDTPHJAPFFRK-UHFFFAOYSA-N 390.418 5.491 10 1 GKCF Nc1ccc(Oc2ccc3nc([C@H]4Cc5cc(Cl)ccc5O4)[nH]c3c2)cc1 587080598 NOFPAHVUBIVENT-HXUWFJFHSA-N 377.831 5.267 10 1 GKCF Cc1cc(C2=NN(c3ccccc3)[C@H](c3c(Cl)cccc3Cl)C2)ccc1O 103281078 DYWAUYKIMALMKL-FQEVSTJZSA-N 397.305 6.363 10 1 GKCF CCCc1cc(-c2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)ccn1 587921898 FICBANYVZLMIPX-UHFFFAOYSA-N 391.515 6.371 10 1 GKCF Clc1ccc(OCCCn2c3c(c4ccc(Cl)cc42)CCNC3)cc1 1857615401 BJVQSOHRPIXPCJ-UHFFFAOYSA-N 375.299 5.063 10 1 GKCF Cc1ccc2ccc([C@H](Nc3cccnc3)c3ccc(F)cc3F)c(O)c2n1 1772574989 ISKWEYASHCHZGO-OAQYLSRUSA-N 377.394 5.124 10 1 GKCF Cc1c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2n1C 587758875 YNUUMQWTTAZCCG-YBTHPKLGSA-N 387.296 5.012 10 1 GKCF COc1cccc(-c2cc(-c3ccc(O)c(O)c3O)nc3c2oc2ccccc23)c1 587365226 DWZUHEYGLNRDMP-UHFFFAOYSA-N 399.402 5.440 10 1 GKCF CN1C=CC(=Cc2sc3ccccc3[n+]2C)c2cc(-c3ccccc3)ccc21 1857558523 AYGHPAPFKHRKQW-UHFFFAOYSA-N 381.524 5.897 10 1 GKCF CCCCCCNCCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12 5820286 NSZWREFZGBFSJX-UHFFFAOYSA-N 380.492 5.268 10 1 GKCF Cc1cc(Cl)ccc1O[C@H](C)C(=O)/N=N/c1c(O)[nH]c2ccc(Cl)cc12 103961399 OKMCFJDUUUCZGI-OILIMCSSSA-N 392.242 5.567 10 1 GKCF CC(C)(C)c1cc([C@H]2c3ccc(F)cc3C[C@@H]3CCCN32)c(O)c(C(C)(C)C)c1 963111166 RMEWTGJSAZLXMJ-WMZHIEFXSA-N 395.562 6.236 10 1 GKCF CCN(CC)CCNc1ccc(Nc2ccnc3cc4ccccc4cc23)cc1 813251 XSUJNLGTNHCFAN-UHFFFAOYSA-N 384.527 5.885 10 1 GKCF O=C(O)c1cc(-c2ccc(C/N=N/c3ccc(Cl)cc3)o2)ccc1Cl 169690620 OECHEOIRAZLADY-QURGRASLSA-N 375.211 6.236 10 1 GKCF c1ccc(Cc2nc3ccccc3nc2/N=N/Cc2ccc3c(c2)OCO3)cc1 169724113 JRHYPZWSIANVQU-SOYKGTTHSA-N 382.423 5.233 10 1 GKCF CN1CCc2c(Br)cccc2[C@]1(C)c1ccc2ccccc2c1O 963280637 OGEPAPHFTRMGQX-OAQYLSRUSA-N 382.301 5.059 10 1 GKCF CC(=O)Nc1c(C)cc(C)c2c1C(=O)C(=O)c1c(-c3ccc(C)c(C)c3)coc1-2 45298655 GKUNANKZGXINPN-UHFFFAOYSA-N 387.435 5.185 10 1 GKCF Oc1ccc(Br)c2c1N[C@@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@@H]21 169312468 PCMJPORDPBGSHV-XNJGSVPQSA-N 376.681 5.635 10 1 GKCF C[C@@H](/N=N/c1nc2ccccc2s1)c1ccc(-c2ccc(N)c(C(=O)O)c2)o1 169730150 SJDQAYZZVOQWIB-SJOCPNOISA-N 392.440 5.682 10 1 GKCF Cc1ccc([C@@H]2CC(c3cc(Cl)ccc3O)=NN2C(=O)c2ccccc2)cc1 299834861 CQBBSZUVCQFFIZ-NRFANRHFSA-N 390.870 5.346 10 1 GKCF Oc1ccc2occ(-c3ccccc3)c2c1CN1CCC(N2CCCCC2)CC1 169349609 WAISGYBWESJDER-UHFFFAOYSA-N 390.527 5.256 10 1 GKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4cc(Cl)ccc4[nH]3)cc2)cc1 587196129 RGILEZYNQPFQIB-UHFFFAOYSA-N 375.863 6.365 10 1 GKCF CCN1/C(=C/c2sc3ccc(OC)cc3[n+]2CC)C=Cc2cc(OC)ccc21 5585986 ITWYBCYEHZEOCG-UHFFFAOYSA-N 393.532 5.120 10 1 GKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(Cl)c(C)c3[nH]1)[C@H]1CC=C[C@@H]21 587271890 KQOMSBZVDQBJDZ-CKNLXJGOSA-N 394.862 5.568 10 1 GKCF C[C@@H]1C[C@@]2(NCCc3cc(-c4ccccc4)ccc32)c2c(O)c(Cl)cc(F)c21 962664428 NYWDHERXOOEPHT-SHACYNPGSA-N 393.889 5.748 10 1 GKCF Oc1ccc(-c2cccnc2)cc1[C@H]1c2ccsc2CCN1Cc1ccco1 962702791 GQTUPKIIYNEAIS-HSZRJFAPSA-N 388.492 5.256 10 1 GKCF Oc1ccc(C2=NN(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)C2)c(O)c1 1857648027 APVBWENQGQRYRD-HXUWFJFHSA-N 399.277 5.760 10 1 GKCF Nc1ccc(Oc2ccc3nc(-c4cccc(-c5ccccc5)c4O)[nH]c3c2)cc1 586896672 HYBYYSZTLPHSHO-UHFFFAOYSA-N 393.446 5.977 10 1 GKCF Cc1ccc2c(c1)c([C@H]1Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c(C)n2C 587574478 BDHBGFJOIJBHEQ-RCZVLFRGSA-N 399.446 5.204 10 1 GKCF COc1ccc(CNc2c(-c3cc(Cl)ccn3)nc3ccc(Cl)cn23)cc1 1772653919 IXOMNSUDKDUKFB-UHFFFAOYSA-N 399.281 5.324 10 1 GKCF CCN(CC)c1ccc2c(c1)O[C@]1(C=C2)Oc2ccccc2C=C1c1ccccc1 5139484 KDMXIQJIVFETAO-MHZLTWQESA-N 395.502 6.268 10 1 GKCF CN(C)c1ccc(/C=C/c2cc(-c3ccccc3)[n+](C)n2-c2ccccc2)cc1 5581995 VSFXJKVRUNDSGH-UHFFFAOYSA-N 380.515 5.205 10 1 GKCF Cc1cc(-c2csc(-c3ccc(Cl)nc3)n2)c(C)n1-c1ccccc1F 587922076 JKOGTHNILAEGCY-UHFFFAOYSA-N 383.879 6.072 10 1 GKCF Cc1cc(Br)c2[nH]c(O)c(N=NC(=O)c3ccc(Cl)cc3)c2c1 617960160 SISSLAKAALGSDA-UHFFFAOYSA-N 392.640 5.522 10 1 GKCF Cc1nc(/N=N/[C@@H](C)c2ccc(Br)cc2)cc(N2CCCCC2)n1 169689050 BPMFYJYDZFKDCR-URHHSZMMSA-N 388.313 5.383 10 1 GKCF C[C@@H]1CCc2sc(-c3nc4cc(Oc5ccc(N)cc5)ccc4[nH]3)cc2C1 587032809 BENFHNIJJHORNY-CYBMUJFWSA-N 375.497 5.791 10 1 GKCF Cc1ccnn1CCc1nc(-c2cc(C)n(-c3ccccc3F)c2C)cs1 587922284 NJSJSWWPWMHYJQ-UHFFFAOYSA-N 380.492 5.104 10 1 GKCF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2ccc(O)c(O)c2C3)c1 587366740 QGXYPQITWWAAEK-UHFFFAOYSA-N 395.414 5.639 10 1 GKCF CCCCc1ccc(-n2c(C)cc(C(=O)OCC)c2C)c(Br)c1 587935125 BPPVDPXMQSDEGQ-UHFFFAOYSA-N 378.310 5.376 10 1 GKCF CN(C)c1ccc(/C=C/c2ccc3ncnc(NCc4ccccc4)c3c2)cc1 84713810 KPIQHODXSDMYLR-CMDGGOBGSA-N 380.495 5.478 10 1 GKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C(C)(C)C)cc2O)N1 587824227 YZVSDHDYCGBFKV-NSPYISDASA-N 392.312 5.215 10 1 GKCF COc1ccc2c(c1)[C@](C)(c1cc(Cl)c3ccccc3c1O)N(C(C)C)CC2 962094052 RDJSCNVATDDUQB-XMMPIXPASA-N 395.930 5.737 10 1 GKCF Cc1cc2c(cc1NC(=O)/C=C/c1ccc(O)c(O)c1)C(C)(C)CCC2(C)C 84654526 FAOAHWOMGCNSRV-VQHVLOKHSA-N 379.500 5.407 10 1 GKCF C[C@@H](/N=N/c1ccc(C(=O)O)cc1)c1ccc2c(c1)Nc1ccccc1S2 169688609 FVPATABDPCILPY-YOJUGNCBSA-N 375.453 6.438 10 1 GKCF CCCCc1ccc(-n2cnc3cc(NCc4ccc(C(C)C)cc4)ccc32)cc1 95584416 LIRGHFCQFCZNMV-UHFFFAOYSA-N 397.566 7.104 10 1 GKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3ccccc3c2O)N1 587834644 SRGRIIXIYUCUFE-WLRWDXFRSA-N 386.264 5.071 10 1 GKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4cc([C@H](N)N=O)ccc4[nH]3)cc2)cc1 587195556 LLQGWWPQIQCIPS-OAQYLSRUSA-N 399.458 5.435 10 1 GKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Cl)cc(F)c3[nH]1)[C@H]1CC=C[C@H]21 587277291 SDZSDPDZSOJTDV-LXIYXOSZSA-N 398.825 5.399 10 1 GKCF CCN(CC)c1ccc(/C=C/c2cc(N3CCCCC3)c3ccccc3n2)cc1 1857769405 ABUXRHQYNOLAJI-NTCAYCPXSA-N 385.555 6.242 10 1 GKCF CCN(CC)c1ccc(C2=C3C(C)=CC(C)=[N+]3[B-](F)(F)n3c(C)cc(C)c32)cc1 195432653 UNACUKXCFAREMG-UHFFFAOYSA-N 395.306 5.380 10 1 GKCF CC(C)c1ccc(Oc2ccc(-c3cnc(-c4ccc(O)c(O)c4)o3)cc2)cc1 1857644486 SMNPSNIKCRRGRF-UHFFFAOYSA-N 387.435 6.336 10 1 GKCF CNc1ccc(Nc2ccccc2C(=O)O)c(-c2ccc3c(c2)CCO3)c1Cl 1911573467 FBEGLRBVRKYWJD-UHFFFAOYSA-N 394.858 5.425 10 1 GKCF O=[N+]([O-])c1ccc([C@H]2C3=C(CCCC3=S)Oc3ccc4ccccc4c32)cc1 103296365 RMLZPTYKKXDZCK-OAQYLSRUSA-N 387.460 6.080 10 1 GKCF CC(C)=CCc1c(O)cc(CCc2ccc(O)c(O)c2)c(CC=C(C)C)c1O 5854449 VLJOWGMLRJTNDQ-UHFFFAOYSA-N 382.500 5.312 10 1 GKCF biogenic CN(C)c1cccc(NC(=O)c2ccc(-c3ccc(F)c(F)c3)c3ccoc23)c1 61928908 HBVXBPXFHYLHHI-UHFFFAOYSA-N 392.405 5.696 10 3 GKCF CCC(CC)C(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 26843230 INTGITHOOMCAJB-UHFFFAOYSA-N 383.495 6.506 10 1 GKCF Cc1cc(N[C@H](c2ccccc2Cl)c2ccc3cccnc3c2O)ncc1F 202347809 GUYSNDUVUVJUKP-OAQYLSRUSA-N 393.849 5.638 10 1 GKCF CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(-c3ccc(F)cc3)c1C)CC2=O 587472045 OZOBBPMXDJPGPB-QHCPKHFHSA-N 393.458 5.598 10 1 GKCF Cc1cc(=O)c2ccc(O)c(CN(Cc3ccccc3)Cc3ccccc3)c2o1 64503664 DFCZWSVERKMCIP-UHFFFAOYSA-N 385.463 5.009 10 1 GKCF COc1ccc2cc(-c3cc(C(F)(F)F)nn3-c3ccc(N)cc3)ccc2c1 66099850 HCKRMRPFQLUJFG-UHFFFAOYSA-N 383.373 5.302 10 1 GKCF COc1cc(O)ccc1CCc1cc(O)c(O)c(CC=C(C)C)c1CC=C(C)C 238731496 KBKNQDCASMPJSE-UHFFFAOYSA-N 396.527 5.615 10 1 GKCF Cc1ccnc(N[C@H](c2ccc(F)c(F)c2)c2ccc3cccnc3c2O)c1 198904673 QZBZPUZSOFKWMI-HXUWFJFHSA-N 377.394 5.124 10 3 GKCF CCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc(C)ccc23)cc1 26840609 YPXOBBZUGXYBDC-UHFFFAOYSA-N 391.496 5.202 10 1 GKCF Nc1ccc(Oc2ccc3nc(-c4ncsc4-c4ccccc4)[nH]c3c2)cc1 587028339 SEAOCTBNKDRGBT-UHFFFAOYSA-N 384.464 5.728 10 1 GKCF COc1ccc(Cl)c2c1CCN[C@@H]2c1ccc2c(c1)C(C)=CC(C)(C)N2C 963258556 OCRROXKWPGDLMP-JOCHJYFZSA-N 382.935 5.215 10 1 GKCF O=C(O)c1cc(-c2cc3c(n2-c2ccccc2)CCc2ccccc2-3)ccc1O 169320103 FFFVWLPGMSNZLU-UHFFFAOYSA-N 381.431 5.314 10 1 GKCF Cc1ccc(C(C)C)n1-c1ccc(Br)cc1OCc1ccccc1 587939276 AGEWZIKKQRRRLN-UHFFFAOYSA-N 384.317 6.251 10 1 GKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4ccc([N+](=O)[O-])cc4[nH]3)cc2)cc1 587195141 GIQJJQHZOYHHOD-UHFFFAOYSA-N 386.415 5.620 10 1 GKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4cc(C(=O)O)ccc4[nH]3)cc2)cc1 587195514 LBRUBAKTJWLMQX-UHFFFAOYSA-N 385.427 5.410 10 1 GKCF CCN(CC)CCCCCNc1c2ccc(Cl)cc2nc2ccc(OC)cc12 34530622 NIKVHWBXZUKFDO-UHFFFAOYSA-N 399.966 5.974 10 1 GKCF CC(C)CN(Cc1c(O)ccc2nc(-c3ccc(F)cc3F)[nH]c12)CC(C)C 45323379 RKSDWRQRLDSBBM-UHFFFAOYSA-N 387.474 5.328 10 1 GKCF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(-c3ccc(C(C)C)cc3)c1C)O2 587390517 QVYONKWRXFQONM-XMMPIXPASA-N 388.511 5.815 10 1 GKCF CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(-c3ccccc3C)c1C)CC2=O 587471484 RQUNHBQPHXMZGH-DEOSSOPVSA-N 389.495 5.767 10 1 GKCF C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)[C@H](CCCN=[N+]=[N-])C[C@@H]12 28655086 IXGKIUUUUKFPNM-GZNZXPAWSA-N 375.557 5.068 10 1 GKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4c(F)cc(Cl)cc4[nH]3)cc2)cc1 587196014 OQTRCKIVTFPRPL-UHFFFAOYSA-N 393.853 6.504 10 1 GKCF Oc1ccc2cc(Br)ccc2c1[C@@H](c1ccccc1)N1CCCCC1 653706689 HDUNBQTWMRMOBQ-JOCHJYFZSA-N 396.328 5.883 10 1 GKCF CC(C)=CCc1c(O)cc(C=Cc2ccc(O)c(O)c2)c(CC=C(C)C)c1O 2356511704 MJKSUJBAZDDQRN-UHFFFAOYSA-N 380.484 5.697 10 1 GKCF CC[n+]1c(/C=C/N(C)c2ccccc2)sc(-c2ccccc2)c1-c1ccccc1 45302335 CXXCZEAHAXQOTH-UHFFFAOYSA-N 397.567 6.497 10 1 GKCF CCCCc1ccc(CNc2ccc3c(c2)ncn3-c2ccc(OC)cc2)cc1 95584183 DRJQZFGKNKCQHG-UHFFFAOYSA-N 385.511 5.989 10 1 GKCF Cc1cccnc1-n1c(C)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587511493 GYVSZFWUJXRTND-HSZRJFAPSA-N 386.495 5.383 10 1 GKCF Cc1ccccc1-n1c(C)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587514310 WOXGOTTYEKUUTL-RUZDIDTESA-N 385.507 5.988 10 1 GKCF Nc1ccc(Oc2ccc3nc([C@H]4C[C@H]4c4cccc(F)c4F)[nH]c3c2)cc1 587151151 GVMDDDQBEHYDRO-IRXDYDNUSA-N 377.394 5.487 10 1 GKCF Cn1cccc1CN1CCc2sccc2[C@H]1c1c(O)ccc(Cl)c1Cl 962398770 NXISUFJPKYPQFD-IBGZPJMESA-N 393.339 5.247 10 1 GKCF Cc1cc2c(N=NC(=O)CCc3ccccc3)c(O)[nH]c2cc1Br 253995049 JWZYSSSDMRNIRZ-UHFFFAOYSA-N 386.249 5.188 10 1 GKCF Cc1onc(C(=O)O)c1[C@@H](C)/N=N/c1cc(C(F)(F)F)cc(C(F)(F)F)c1 169727564 LUTUHJGHAQVOGB-STQSPYFWSA-N 395.259 5.564 10 1 GKCF COc1ccc(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c(C(F)(F)F)c1 587098017 ONYBQNVZXZYMHX-UHFFFAOYSA-N 399.372 5.632 10 1 GKCF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(-c3cc(C)ccn3)c1C)CC2=O 587470946 NLXBMQRHXCKQRY-JOCHJYFZSA-N 390.483 5.162 10 1 GKCF Cc1cc(-c2csc(-c3ccc(Cl)cc3N)n2)c(C)n1-c1ccccc1F 587922926 ZDCFXKOUYLGKIM-UHFFFAOYSA-N 397.906 6.259 10 1 GKCF Cc1cc(Cl)c(C)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1O 587691554 GCXKRQWRLYQMNI-VVVCHXIZSA-N 398.703 5.188 10 1 GKCF Oc1c([C@H](Nc2cccnc2)c2ccc(F)cc2F)cc(Cl)c2cccnc12 1772603864 YGDCNKXGFIGFSB-LJQANCHMSA-N 397.812 5.469 10 1 GKCF CC(C)=CCCC(C)=CCc1cc2c(=O)c3c(O)cc(O)cc3oc2c(O)c1O 2356541214 GIDGYMKPWWCWDW-UHFFFAOYSA-N 396.439 5.004 10 1 GKCF Cn1c2ccccc2c2cc(-c3ccccc3)c3c(c21)C(=O)c1ccccc1C3=O 5580107 BEDFEABQTLGSOK-UHFFFAOYSA-N 387.438 5.774 10 1 GKCF COc1cccc2c(NNc3ccc(Cl)cc3)c3ccc([N+](=O)[O-])cc3nc12 5842970 NNDWHCOQABQZKZ-UHFFFAOYSA-N 394.818 5.397 10 1 GKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4c(Cl)cccc4[nH]3)cc2)cc1 587196733 XWMKJKVCGIQPOR-UHFFFAOYSA-N 375.863 6.365 10 1 GKCF CC(C)c1ccc(COc2cc(CN3CCCC3)c(O)c3ncccc23)cc1 1857644661 XJTLIAHUYANYQR-UHFFFAOYSA-N 376.500 5.239 10 1 GKCF C[C@H]1S[C@@H](c2ccccc2)N(Nc2c3ccccc3nc3ccccc23)C1=O 5550786 NMQHAXOMRNMCCO-CMJOXMDJSA-N 385.492 5.378 10 1 GKCF Cc1ccc2c(C(=O)c3ccccc3NCc3ccc4ncccc4c3)c[nH]c2c1 40880040 UQIYSAZJCWTSIN-UHFFFAOYSA-N 391.474 5.868 10 1 GKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4cc(F)c(F)cc4[nH]3)cc2)cc1 587196362 TWIGEJNJRMPSCT-UHFFFAOYSA-N 377.398 5.990 10 1 GKCF Oc1ccc(-c2cccnc2)cc1[C@@H]1c2ccsc2CCN1Cc1ccco1 962702794 GQTUPKIIYNEAIS-QHCPKHFHSA-N 388.492 5.256 10 1 GKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Cl)c(F)cc3[nH]1)[C@@H]1CC=C[C@H]21 587276360 KWAOZQWVYNCZHS-CRTZDJKQSA-N 398.825 5.399 10 1 GKCF Cc1c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc2n1CC(C)C 587514126 FNIZSCYOSBUKMJ-XMMPIXPASA-N 387.523 6.191 10 1 GKCF CC[C@@]1(c2ccc(Cl)cc2O)N[C@H](C)Cc2ccc(F)c(Br)c21 587701368 XELJEIFTKBAAQZ-MGNBDDOMSA-N 398.703 5.135 10 1 GKCF COc1ccc2ccc(O)c([C@H](c3cccc4ccccc34)N3CCCCC3)c2c1 653708455 HQNNYZDZYGVDFL-MHZLTWQESA-N 397.518 6.283 10 1 GKCF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@]1(C)C=Cc2c(ccc(O)c2O)O1 40937952 HDKOYWYEMWGKBR-YMDGTMPZSA-N 396.571 7.462 10 1 GKCF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)n(-c3ccc4c(c3)CCC4)c1C)O2 587391274 UEIZIYKVMWVZOO-DEOSSOPVSA-N 386.495 5.180 10 1 GKCF CN1CCc2c(Br)cccc2[C@@H]1c1ccc(-c2ccccc2)cc1O 963269221 GFTTZABHYMLNEZ-JOCHJYFZSA-N 394.312 5.399 10 1 GKCF Cc1cccc(C)c1NC(=O)/N=N/c1c(O)[nH]c2ccc(Br)cc12 28528591 DTILWNFTVDWBKL-QURGRASLSA-N 387.237 5.569 10 1 GKCF Cc1cc(C)c(O)c(CN(Cc2ccccc2)C(=S)Nc2ccccc2)c1 45338661 CLYYHKWHUJNBOP-UHFFFAOYSA-N 376.525 5.408 10 1 GKCF CCOc1ccc(Nc2c3ccc(Cl)cc3nc3ccc(OC)cc23)cc1 72106135 LSPNSZBITYBDQU-UHFFFAOYSA-N 378.859 6.192 10 1 GKCF O=C1CCCN1[C@H](c1ccc(Cl)cc1Cl)c1c(O)ccc2ccccc12 1772642987 UHVJPNQNOMMGBV-OAQYLSRUSA-N 386.278 5.564 10 1 GKCF O=C(Nc1ccc(/C=C/c2ccc(O)c(O)c2)cc1)Nc1ccc(F)cc1F 89455931 BUHNPYVCBZWJFC-OWOJBTEDSA-N 382.366 5.190 10 1 GKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Cl)cc(C)c3[nH]1)[C@H]1CC=C[C@H]21 587271914 LILQGLTWKIWNCY-AVYPCKFXSA-N 394.862 5.568 10 1 GKCF Oc1cccc(Br)c1[C@H]1NCCc2cccc(-c3ccccc3)c21 962663151 DRYWCYAYUCFXAR-NRFANRHFSA-N 380.285 5.057 10 1 GKCF COc1cc2c3c(c1)O[C@@H](c1cc(C)n(-c4ccc(C)cc4C)c1C)[C@@H](C2)C3=O 587432653 YHHODAONRARHNF-CPJSRVTESA-N 387.479 5.208 10 1 GKCF Cc1ccc2c(c1)c([C@@H]1Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c(C)n2C 587574477 BDHBGFJOIJBHEQ-DHLKQENFSA-N 399.446 5.204 10 1 GKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(C)(C)C)ccc2O)N1 587823884 XAEPQDAZLKNYEH-NSPYISDASA-N 392.312 5.215 10 1 GKCF CCCN(CC)CCCNc1c2ccc(OC)cc2nc2ccc(Cl)cc12 40567516 ZEIWBFSEWMQMFP-UHFFFAOYSA-N 385.939 5.584 10 1 GKCF O=c1c2ccccc2oc2cc(-c3ccccc3)c(-c3ccc(O)c(O)c3)cc12 64498982 SAASTLISKFUCGQ-UHFFFAOYSA-N 380.399 5.691 10 1 GKCF Cc1cc(-c2csc(-c3c[nH]c4ccccc34)n2)c(C)n1-c1ccccc1F 587921841 BZCGDNFMKSRHIK-UHFFFAOYSA-N 387.483 6.505 10 1 GKCF CCCCOC(=O)[C@H]1C[C@@H]2COc3ccc(/N=N/c4ccccc4)cc3[C@@H]2N1C 84652815 GTBXDXSPEJYKKF-MRGGGGICSA-N 393.487 5.199 10 1 GKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(Cl)c(C)c3[nH]1)[C@H]1CC=C[C@H]21 587271893 KQOMSBZVDQBJDZ-YRVVQQKDSA-N 394.862 5.568 10 1 GKCF Oc1ccc(C2=NN(c3ccccc3)[C@H](c3cccc(Br)c3)C2)cc1 28528667 ISNYUVPFDOQLFC-NRFANRHFSA-N 393.284 5.510 10 1 GKCF COc1cccc(C2(c3nc4ccc(Oc5ccc(N)cc5)cc4[nH]3)CCCC2)c1 587933035 IXBTVCSTMZIXSV-UHFFFAOYSA-N 399.494 5.806 10 1 GKCF Cc1c(CN2CCSCC2)cc(-c2ccccc2)n1-c1ccc(Cl)cc1 52986912 HXXNAOQTGHTARJ-UHFFFAOYSA-N 382.960 5.655 10 1 GKCF CCOC(=O)c1c(Nc2ccccc2)sc(/C=C2\C=Nc3ccccc32)c1O 5564685 HLYKAZNYFXPIOO-WYMLVPIESA-N 390.464 5.631 10 1 GKCF NCCNCCCCc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 26824208 CCAHIXQZCFSNLL-UHFFFAOYSA-N 384.527 5.003 10 1 GKCF CCc1c(CN2CCSCC2)cc(-c2ccccc2F)n1-c1ccccc1F 45253370 FQMHVKAKHSWHFG-UHFFFAOYSA-N 398.522 5.534 10 1 GKCF CC(C)=CCC[C@]1(C)C=Cc2c(O)cc(C=Cc3ccc(O)c(O)c3)cc2O1 2356690344 UAIWPLZXOFABMI-XMMPIXPASA-N 378.468 5.885 10 1 GKCF O=C(O)[C@H]1[C@H]2CC=C[C@H]2c2cc(Oc3ccccc3)cc3c2N1C[C@H]1CC=C[C@H]31 5128599 JFRAUHQWVZAEAI-DZPMRSTPSA-N 385.463 5.085 10 1 GKCF Cc1c(CN2CCSCC2)cc(-c2ccc(Cl)cc2)n1-c1ccccc1 52986894 KRTSOBVCKXYKLO-UHFFFAOYSA-N 382.960 5.655 10 1 GKCF O=C(c1ccccc1)c1ccc(NCc2ccccc2)c2c1NC1(CCCC1)CO2 1547293 ZMPSJTKRSDJEFG-UHFFFAOYSA-N 398.506 5.647 10 1 GKCF CCOc1ccccc1-c1nc(-c2cc(C)n(-c3ccccc3F)c2C)cs1 587922974 ZRBIVUQAJWGENQ-UHFFFAOYSA-N 392.499 6.422 10 1 GKCF CC(C)=CCC/C(C)=C/CC/C(C)=C/COc1c(O)cc2c(c1O)CNC2=O 142866206 JHAFURLXNPRDRX-BTMZFSHUSA-N 385.504 5.139 10 1 GKCF Oc1cc(CCCc2ccc(-c3ccccc3)cc2)ccc1CN1CCCCC1 473108215 LGCCMRAYSQGVLW-UHFFFAOYSA-N 385.551 6.220 10 1 GKCF COc1cc2c3c(c1)O[C@@H](c1cc(C)n(-c4ccccc4Cl)c1C)[C@@H](C2)C3=O 587422762 ZQBPHGDQLJYINH-SBUREZEXSA-N 393.870 5.245 10 1 GKCF C[C@H](/N=N/c1nc2ccccc2s1)c1ccc(-c2cccc(C(N)=O)c2)o1 169730128 KTEDXOHONLKAOJ-YRMYODQKSA-N 376.441 5.500 10 1 GKCF Cc1ccc2nc(/N=N/c3c(O)[nH]c4ccccc34)nc(-c3ccccc3)c2c1 100704196 RXPLFVCVUMFNAC-BYYHNAKLSA-N 379.423 6.208 10 1 GKCF CCn1c(C)nc2cc(C(=O)N=Nc3c(O)[nH]c4c(C)cc(C)cc34)ccc21 253993173 KCPOAHUVIUVELB-UHFFFAOYSA-N 375.432 5.092 10 1 GKCF CC(=O)Nc1ccc(Cl)c(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c1 587049300 GGZYSPIWAMDYTI-UHFFFAOYSA-N 392.846 5.216 10 1 GKCF CCOC(=O)c1cc(C)n(-c2ccc(Oc3ccc4c(c3)CCC4)c(F)c2)c1C 587946585 ZNCUPZDLEMXUAE-UHFFFAOYSA-N 393.458 5.691 10 1 GKCF CN(C)c1ccc(/C=C2/CC[C@@]3(C)[C@@H](CC[C@@H]3c3ccc4ccncc4c3)C2)cc1 95563153 RJCWTZDREAFWPD-XDUOHMMSSA-N 396.578 7.068 10 1 GKCF C[C@@H](/N=N/c1nc2ccccc2s1)c1ccc(-c2cccc(C(=O)O)c2)o1 169730139 VXBRZBNJAKCQTI-GHPOMHATSA-N 377.425 6.099 10 1 GKCF Nc1ccc(Oc2ccc3nc(-c4ncoc4CCC(F)(F)F)[nH]c3c2)cc1 587091601 GPBZGRCOYHULOU-UHFFFAOYSA-N 388.349 5.087 10 1 GKCF Cc1ccc2[nH]cc(C(=O)c3ccccc3NCc3ccc4cn[nH]c4c3)c2c1 6718530 YOHHNYZEPWETQE-UHFFFAOYSA-N 380.451 5.196 10 1 GKCF COc1ccc(-c2nn(-c3ccccc3)cc2C/N=N/c2ccccn2)cc1OC 169690662 SMTDYHZCUXDVJE-OCEACIFDSA-N 399.454 5.235 10 1 GKCF Cc1cc(F)c2[nH]c([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@@H]43)nc2c1 587276953 PBWMXEPSPJBDHA-BIENJYKASA-N 378.407 5.054 10 1 GKCF O=C(O)c1cccc2c(-c3ccccn3)c(-c3ccc(Br)cc3)[nH]c12 587637551 CMZIVAXRJSTUTJ-UHFFFAOYSA-N 393.240 5.358 10 1 GKCF Oc1ccc2c(CNC3CCCCC3)c(O)ccc2c1CNC1CCCCC1 45334621 NODBQTJRRDCYMX-UHFFFAOYSA-N 382.548 5.096 10 1 GKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4cc(CCO)ccc4[nH]3)cc2)cc1 587195491 KUMCHRDIAVLXKK-UHFFFAOYSA-N 385.471 5.246 10 1 GKCF Oc1cccc(Br)c1[C@@H]1NCCc2cccc(-c3ccccc3)c21 962663154 DRYWCYAYUCFXAR-OAQYLSRUSA-N 380.285 5.057 10 1 GKCF C[C@H](/N=N/c1nc2ccccc2s1)c1ccc(-c2cccc(C(=O)O)n2)s1 169730114 PFOXRCOPUYBTFT-WQSHTFOESA-N 394.481 5.963 10 1 GKCF C[C@@]1(c2cc3ccccc3cc2O)c2cccc(F)c2CCN1[C@H]1CCSC1 962696468 FLZKXSFDUXRAGO-UUOWRZLLSA-N 393.527 5.312 10 1 GKCF CCCCCC[C@@]1(C)NC(c2ccc3c(c2)OCO3)=C[C@H](c2ccccc2O)N1 2934934 CJMXYIBMAQBFBJ-YKSBVNFPSA-N 394.515 5.083 10 1 GKCF CN(C)c1ccc(-c2nc3cc(NC(=O)OCc4ccccc4)ccc3o2)cc1 34654248 BOIGFSVSRSLFEZ-UHFFFAOYSA-N 387.439 5.310 10 1 GKCF COc1ccc2nc3cc(Cl)ccc3c(Nc3cccc(NC(C)=O)c3)c2c1 72107778 VNOFLJCOOOXXLT-UHFFFAOYSA-N 391.858 5.752 10 1 GKCF Oc1ccc(CN(Cc2cccc(Cl)c2O)C(=S)Nc2ccccc2)cc1 45352014 UWNCZMKPXVIIEH-UHFFFAOYSA-N 398.915 5.150 10 1 GKCF CN(C)c1ccc(C2N(Cc3ccccc3)CCCN2Cc2ccccc2)cc1 103279664 OBKYMEJVMLCDHU-UHFFFAOYSA-N 385.555 5.159 10 1 GKCF CCn1c(C)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 587577665 OGUSBMNSCICMTP-WIOPSUGQSA-N 399.446 5.378 10 1 GKCF CCCc1c(O)ccc2c1O[C@H](c1ccc(N3CCCCC3)cc1C)CC2=O 587478074 ZNEADAMFWYBJNU-QHCPKHFHSA-N 379.500 5.350 10 1 GKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc(C)cc4)n3)c2C)c1 587924206 LQKBLUPMYCRTNX-UHFFFAOYSA-N 390.577 6.915 10 1 GKCF Oc1cc(Cl)c(Cl)cc1[C@@H]1c2ccsc2CCN1Cc1ccco1 962704096 IKNNUROESWPREY-SFHVURJKSA-N 380.296 5.501 10 1 GKCF CCN(CC)CCCC[C@H](C)Nc1c2ccccc2nc2cc(Cl)ccc12 13557619 DVJVBCFTKCFSOM-KRWDZBQOSA-N 383.967 6.354 10 1 GKCF Cc1ccc(-c2ccc(C)n2-c2ccc(-c3nc4ccc(F)cc4s3)cc2)cc1 96933003 KSEUVEDHIGJSFZ-UHFFFAOYSA-N 398.506 7.177 10 1 GKCF CCc1c(CN2CCSCC2)cc(-c2ccc(F)cc2)n1-c1ccccc1F 45244916 NXLAZHQUAULWQA-UHFFFAOYSA-N 398.522 5.534 10 1 GKCF Cc1cc2c(/N=N\C(=O)CCc3ccccc3)c(O)[nH]c2cc1Br 84923875 JWZYSSSDMRNIRZ-DQRAZIAOSA-N 386.249 5.188 10 1 GKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4nc(Cl)c[nH]c-4n3)cc2)cc1 587196015 ORJJMKBGCRHOIS-UHFFFAOYSA-N 377.839 5.106 10 1 GKCF Cc1cc(Cl)ccc1OCC(=O)N=Nc1c(O)[nH]c2ccc(Cl)cc12 617960305 JACAKGNLNDUXKP-UHFFFAOYSA-N 378.215 5.178 10 1 GKCF Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1nc3cc(Cl)cc(Cl)c3[nH]1)N2 587078445 REGSUGOAVALCJO-JKDFXYPNSA-N 390.701 6.350 10 1 GKCF Cc1cc2c(/N=N/C(=O)[C@@H]3C[C@@H]3c3ccccc3)c(O)[nH]c2cc1Br 101701522 VUIXBYVYDKRWKF-OIYAGSDASA-N 398.260 5.358 10 1 GKCF CCCN(CCC)CCCNc1c2ccc(OC)cc2nc2ccc(Cl)cc12 40575336 AMCJKTWYIYMFNM-UHFFFAOYSA-N 399.966 5.974 10 1 GKCF Cc1ccc(Sc2ccc(/C=C3\SC(=S)NC3=O)cc2Cl)cc1 96174912 JKMCDCJFIZJBIR-DHDCSXOGSA-N 377.943 5.288 10 1 GKCF CN(CCC=C1c2ccccc2CCc2ccccc21)[C@@H]1CCCC=C1C(=O)O 299865357 NNBCORYWLLFRNN-RUZDIDTESA-N 387.523 5.102 10 1 GKCF CCc1c(CN2CCSCC2)cc(-c2ccc(F)cc2)n1-c1ccc(F)cc1 45260006 UCOHODGPIMIJEL-UHFFFAOYSA-N 398.522 5.534 10 1 GKCF O=[N+]([O-])c1cc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2cc1F 587077955 CZOYQNJXKBWGDD-PISHQANHSA-N 384.798 5.090 10 1 GKCF Nc1ccc(Oc2ccc3nc(-c4cc(Cl)nc5ccccc45)[nH]c3c2)cc1 587085343 PNMMRUZUQNUJQP-UHFFFAOYSA-N 386.842 5.806 10 1 GKCF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)n(Cc3ccccc3)c3ccccc13)O2 587391676 TVBXYJUTTVSHID-DEOSSOPVSA-N 396.490 5.595 10 1 GKCF Oc1c(Br)cc(Br)cc1CNc1ccc(Cl)cc1 72140842 DEXWKKRKYXYERD-UHFFFAOYSA-N 391.490 5.183 10 1 GKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C(C)(C)C)cc2O)N1 587822178 LQRHTAAMJFDPSJ-WYRIXSBYSA-N 392.312 5.215 10 1 GKCF COc1cc(-c2ccc3c(c2)/C(=C/c2c[nH]c4ccccc24)C(=O)N3)ccc1O 14956233 JPABBIKHAMMKME-ODLFYWEKSA-N 382.419 5.042 10 1 GKCF Cc1cccc(NC(=S)N2N=C(c3ccc(O)cc3)C[C@H]2c2cccs2)c1 45348680 PBZSTDUOROGWEN-IBGZPJMESA-N 393.537 5.310 10 1 GKCF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3c(Cl)[nH]c4ccccc34)[nH]c21 587088002 RFDGCFRPCZJMMV-UHFFFAOYSA-N 397.821 5.140 10 1 GKCF CC(C)COc1cc2nc(CCCCCCN=[N+]=[N-])[nH]c2cc1Br 587260233 NXCSUCHMKKNCJE-UHFFFAOYSA-N 394.317 5.773 10 1 GKCF CC(C)(C)c1cc([C@@H]2c3ccc(F)cc3C[C@H]3CCCN23)c(O)c(C(C)(C)C)c1 963111169 RMEWTGJSAZLXMJ-XXBNENTESA-N 395.562 6.236 10 1 GKCF Cc1cc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@@H]43)[nH]c2cc1F 587277507 XJBXSQWYBHQJFI-PJSUUKDQSA-N 378.407 5.054 10 1 GKCF Nc1ccc(Oc2ccc3nc(-c4cc5ccccc5c(Cl)n4)[nH]c3c2)cc1 587085963 QIFOCOGJFHCCKX-UHFFFAOYSA-N 386.842 5.806 10 1 GKCF CSc1ccc(-c2ccc(C)n2-c2cc(F)c(Br)cc2F)cc1 587943541 HKGBUKNHICPMMC-UHFFFAOYSA-N 394.284 6.215 10 1 GKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4ccnc(O)c4)n3)c2C)c1 587924399 WQDMADVATPRNBI-UHFFFAOYSA-N 393.537 5.707 10 1 GKCF CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)c(Cl)c1 5141398 UUUKGRTUPQLJOQ-UHFFFAOYSA-N 397.887 5.157 10 1 GKCF Cc1cccc(NC(=S)N2N=C(c3ccc(O)cc3)C[C@@H]2c2cccs2)c1 45348684 PBZSTDUOROGWEN-LJQANCHMSA-N 393.537 5.310 10 1 GKCF O=C(O)[C@@H]1[C@H]2CC=C[C@@H]2c2cc(Oc3ccccc3)cc3c2N1C[C@H]1CC=C[C@@H]31 138840075 JFRAUHQWVZAEAI-RCGKAVQVSA-N 385.463 5.085 10 1 GKCF CC[C@H](Oc1ccccc1Cl)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587061729 IZBPMGAKLZPREQ-FQEVSTJZSA-N 393.874 6.121 10 1 GKCF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1ccc(N2CCCCC2)cc1Cl 963225737 FWJQKXXGMSHNLW-UUOWRZLLSA-N 382.979 6.076 10 1 GKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Cl)c(F)cc3[nH]1)[C@H]1CC=C[C@@H]21 587276362 KWAOZQWVYNCZHS-UFYHVXEKSA-N 398.825 5.399 10 1 GKCF Cc1cc(-c2csc(-c3ccc(Cl)cc3)n2)c(C)n1-c1ccccc1F 587922287 NPGHCKSVBGGSRW-UHFFFAOYSA-N 382.891 6.677 10 1 GKCF Cc1ccc2[nH]c(O)c(/N=N/C(=O)[C@@H]3C[C@H]3c3ccccc3)c2c1Br 13125134 YOPPNVGYQQWBPH-BIYXEHPRSA-N 398.260 5.358 10 1 GKCF Oc1ccccc1CNCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2 95558705 IIJOMUMHOGODMP-UHFFFAOYSA-N 395.934 5.064 10 1 GKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(Cl)c3[nH]1)[C@H]1CC=C[C@@H]21 587271810 JBSKYQCRMQWRQG-VBHSOAQHSA-N 380.835 5.259 10 1 GKCF CC(C)c1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1O 587830083 AYSMOVNFMLGBQT-ADLMAVQZSA-N 378.285 5.041 10 1 GKCF COc1ccc(-c2ccc(O)c3c2C[C@@H](C)N[C@H]3C)c2cc(C)cc(OC)c12 1772620057 ZJJPBMLFLTUEDN-CABCVRRESA-N 377.484 5.133 10 1 GKCF CN(C)c1ccc(/C=C/c2sc3ccccc3[n+]2Cc2ccc(F)cc2)cc1 82154738 FRMFJIGBEPXABF-UHFFFAOYSA-N 389.519 5.613 10 1 GKCF Fc1cc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2c(F)c1F 587078541 VGBJTHVEMXXPJL-GBNMTWHSSA-N 375.781 5.460 10 1 GKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4cnc(Cl)cc4[nH]3)cc2)cc1 587195437 KIJJPWGIMXGFDZ-UHFFFAOYSA-N 376.851 5.760 10 1 GKCF Cc1cc(-c2csc(COc3ccccc3)n2)c(C)n1-c1ccccc1F 587922043 HWLKIFAJWRSTPK-UHFFFAOYSA-N 378.472 5.936 10 1 GKCF Cc1cc2c(/N=N\C(=O)[C@@H]3C[C@@H]3c3ccccc3)c(O)[nH]c2cc1Br 18030563 VUIXBYVYDKRWKF-OMLDSWJQSA-N 398.260 5.358 10 1 GKCF Nc1ccc(Oc2ccc3nc(C4(c5ccccc5)CCC(=O)CC4)[nH]c3c2)cc1 587969863 AUVWDGWQUDYBMS-UHFFFAOYSA-N 397.478 5.367 10 1 GKCF Cc1ccc(-n2c(-c3ccc(Cl)cc3)cc(CN3CCSCC3)c2C)cc1 45498012 XUKBWVZGGRBKJK-UHFFFAOYSA-N 396.987 5.963 10 1 GKCF O=C(O)c1ccc(/N=N/Cc2cn(Cc3ccccc3F)c3ccccc23)cc1 169691661 IRSJMNAHQWLHDH-OCEACIFDSA-N 387.414 5.811 10 1 GKCF CCn1c(C)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 587577650 OGUSBMNSCICMTP-DHLKQENFSA-N 399.446 5.378 10 1 GKCF Cc1cc2c(cc1C)-c1oc(CNc3ccc(F)cc3C)c(C)c1C(=O)C2=O 1857629571 DRPUBTPCBOGCKV-UHFFFAOYSA-N 377.415 5.310 10 1 GKCF COc1ccc(/N=N/c2c(-c3ccc(Cl)cc3)n[nH]c2C(F)(F)F)cc1 169724830 CFGNKNVPDRHWLV-ZNTNEXAZSA-N 380.757 6.173 10 1 GKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(Cl)cc3[nH]1)[C@@H]1CC=C[C@H]21 587272370 RFNDKFJFTHAVOH-KSMMKXTCSA-N 380.835 5.259 10 1 GKCF COc1cc2c3c(c1)O[C@H](c1cc(C)n(-c4ccc(C)cc4C)c1C)[C@@H](C2)C3=O 587432654 YHHODAONRARHNF-NBGIEHNGSA-N 387.479 5.208 10 1 GKCF COc1cccc2c(-c3ccc(O)c4c3C[C@@H](C)N[C@H]4C)c(C)cc(OC)c12 1772618752 XLUNEESBSFDBSK-CABCVRRESA-N 377.484 5.133 10 1 GKCF Clc1ccc(OCCCn2c3c(c4cccc(Cl)c42)CCNC3)cc1 1857551115 CUIGCMNXIVZGOK-UHFFFAOYSA-N 375.299 5.063 10 1 GKCF CC(C)=CCCC(C)=CCC(C[C@@]1(C)C(=O)c2cc(O)cc(O)c2C1=O)=C(C)C 2356795478 MBRGORCSJIULPD-VWLOTQADSA-N 396.527 6.292 10 1 GKCF CCc1ccc(CC)n1-c1ccc(Br)cc1OCc1ccccc1 587939909 GPCOQBYCDMWHNW-UHFFFAOYSA-N 384.317 5.944 10 1 GKCF Cc1cc(CN2CCN([C@@H]3C[C@H]4CC[C@H]3C4)CC2)c(C)n1-c1ccc(Cl)cc1 1857547560 FPGWBJSOQBSDOU-MZLICYQSSA-N 397.994 5.054 10 1 GKCF Brc1ccc(-c2ccc(C/N=N/c3nc4ccccc4[nH]3)o2)cc1 169693927 WNHRQDNSZWFIRP-BSYVCWPDSA-N 381.233 5.869 10 1 GKCF Cc1cc(Cl)ccc1O[C@H](C)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587067450 AQACXGMIBIDEDJ-CQSZACIVSA-N 393.874 6.039 10 1 GKCF COc1ccc(-c2ccc3c(c2O)[C@@H](C)N[C@H](C)C3)c2cc(C)cc(OC)c12 1772585970 JJFZCSYBMKNTJY-HUUCEWRRSA-N 377.484 5.133 10 1 GKCF Oc1ccccc1C1=NN(C(=S)Nc2ccccc2)[C@H](c2cccs2)C1 29045373 JRFIHXAPEJPSHG-KRWDZBQOSA-N 379.510 5.002 10 1 GKCF O=C1c2ccccc2C(=O)c2cc3oc(SCc4ccccc4F)nc3cc21 299825346 LVSJOZQBCUINNC-UHFFFAOYSA-N 389.407 5.035 10 1 GKCF Cc1cc(-c2csc(Cc3cccc(F)c3)n2)c(C)n1-c1ccccc1F 587922175 KWSYLIRKDWSSSG-UHFFFAOYSA-N 380.463 6.087 10 1 GKCF O=C(O)c1ccccc1-c1[nH]c2c(C(=O)O)cccc2c1-c1ccc(Cl)cc1 587638834 RAQRSKMSJAZSCE-UHFFFAOYSA-N 391.810 5.552 10 1 GKCF CCN=c1cc(-c2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)cc[nH]1 587922571 QNVXPNUWQYWKJZ-UHFFFAOYSA-N 392.503 5.272 10 1 GKCF CC(=O)N1CCC[C@@H](c2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)C1 587922677 RZOVLUZEUGPGNV-QGZVFWFLSA-N 397.519 5.083 10 1 GKCF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](N=[N+]=[N-])CC[C@]34C)[C@@H]1CC=C2c1cccnc1 141914532 LEWJQDLUNFLLIS-JWWRFTTHSA-N 376.548 6.797 10 1 GKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4ccccc4F)n3)c2C)c1 587924129 HACHTISOFIGWKH-UHFFFAOYSA-N 394.540 6.746 10 1 GKCF Cc1ccc(NC(=O)Cc2sc(/N=N/[C@H](C)C(C)(C)C)nc2O)cc1Cl 169690464 WALOYMKPHWCCCC-CXPUHZOYSA-N 394.928 5.510 10 1 GKCF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(-c3ccc(Cl)cc3)c1C)O2 587379770 KSONLCUNEMRUKQ-OAQYLSRUSA-N 380.875 5.345 10 1 GKCF CCN(CC)c1ccc(/N=N/c2ccc(-c3nc4ccc[n+](C)c4o3)cc2)cc1 17967250 HJRQSOQKBHKGAZ-OCEACIFDSA-N 386.479 5.581 10 1 GKCF O=C1Nc2ccc(Cl)cc2/C1=C\c1c(Cl)[nH]c2c1ccc1ccccc12 58581377 PWUPDMZZJMCAFM-LICLKQGHSA-N 379.246 6.121 10 1 GKCF Cc1cc(C)c2c(c1O)[C@]1(C[C@@H]2C)c2ccsc2CCN1Cc1ccco1 962702510 AKHLDVVFVCEKNZ-HJPURHCSSA-N 379.525 5.473 10 1 GKCF CN(CCC=C1c2ccccc2CCc2ccccc21)[C@@H]1CCCC[C@H]1C(=O)O 299864774 MTSIDGAVICKWLM-JWQCQUIFSA-N 389.539 5.182 10 1 GKCF CCN(CC)c1ccc([C@@H]2c3cccc(F)c3CCN2[C@@H]2CCSC2)c(C)c1 962722952 ZDSNOJXCWATUFZ-NTKDMRAZSA-N 398.591 5.433 10 1 GKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Cl)cc(F)c3[nH]1)[C@H]1CC=C[C@@H]21 587277292 SDZSDPDZSOJTDV-VBHSOAQHSA-N 398.825 5.399 10 1 GKCF Cc1ccc(-n2c(C)cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2C)cc1C 587511530 HJNDQSDYROTTOG-AREMUKBSSA-N 399.534 6.296 10 1 GKCF Cc1ccc([C@H]2CC(c3cc(Cl)ccc3O)=NN2C(=O)c2ccccc2)cc1 299834864 CQBBSZUVCQFFIZ-OAQYLSRUSA-N 390.870 5.346 10 1 GKCF Cc1cc(CN2CCN([C@@H]3C[C@@H]4CC[C@H]3C4)CC2)c(C)n1-c1ccc(Cl)cc1 653846195 FPGWBJSOQBSDOU-JXALWOEJSA-N 397.994 5.054 10 1 GKCF O=[N+]([O-])c1ccc([C@@H]2C3=C(CCCC3=S)Oc3ccc4ccccc4c32)cc1 103296361 RMLZPTYKKXDZCK-NRFANRHFSA-N 387.460 6.080 10 1 GKCF Cc1ccc2ccc([C@H](Nc3ccccc3)c3ccc(C(C)C)cc3)c(O)c2n1 95565541 KSACZJLGLDBKMF-XMMPIXPASA-N 382.507 6.574 10 3 GKCF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(-c3cccc(Cl)c3)c1C)O2 587379110 SPULQMXUNVZVJI-OAQYLSRUSA-N 380.875 5.345 10 1 GKCF Nc1ccc(Oc2ccc3nc([C@@H]4Cc5cc(Cl)ccc5O4)[nH]c3c2)cc1 587080596 NOFPAHVUBIVENT-FQEVSTJZSA-N 377.831 5.267 10 1 GKCF Cc1ccc2[nH]c(O)c(N=NC(=O)[C@@H]3C[C@H]3c3ccccc3)c2c1Br 253916113 YOPPNVGYQQWBPH-QWHCGFSZSA-N 398.260 5.358 10 1 GKCF CC(C)c1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O 587835961 YVCSQBLZINGKDF-BBATYDOGSA-N 378.285 5.041 10 1 GKCF Nc1ccc(Oc2ccc3nc(COC45CC6CC(CC(C6)C4)C5)[nH]c3c2)cc1 587951105 RUVKULWVIUSVOO-UHFFFAOYSA-N 389.499 5.423 10 1 GKCF Cc1cc(C(C)(C)C)ccc1OCC(=O)N=Nc1c(O)[nH]c2ccc(F)cc12 617960141 FFLQXKICUNIYLW-UHFFFAOYSA-N 383.423 5.308 10 1 GKCF CC1CCN([C@@H](c2cccc3ccccc23)c2c(O)ccc3ccccc23)CC1 653713129 BLPBUVXPBXAEDU-MHZLTWQESA-N 381.519 6.520 10 1 GKCF Oc1ccccc1[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NN1c1ccccc1 653874580 LAAYUWGAPUNSAY-HXUWFJFHSA-N 383.278 6.055 10 1 GKCF O=C(O)[C@@H]1CCCN(CCCC=Cc2cccc(N=Nc3ccccc3)c2)C1 1857636608 YIZRPWOPJBMTNA-HXUWFJFHSA-N 377.488 5.692 10 1 GKCF COc1cc(O)c(CC=C(C)C)c(C=Cc2ccc(O)c(O)c2)c1CC=C(C)C 2356685844 HVVFVBLYRGEPSP-UHFFFAOYSA-N 394.511 6.000 10 1 GKCF O=C(Cn1c2c(c3ccccc31)CCCC2)n1nc2cc1Oc1ccc(F)cc1-2 587875994 XJQTWIBQBRAGBX-UHFFFAOYSA-N 387.414 4.969 10 1 GKCF CC(=O)N1N=C(c2ccc3ccccc3c2O)C[C@H]1c1ccc(Cl)cc1Cl 5838574 GCCHRPNOUMSBKA-FQEVSTJZSA-N 399.277 5.550 10 1 GKCF O=C(O)c1[nH]c2ccc(Cl)cc2c1/N=N/c1ccc(Br)cc1 1857573183 IESRHWBUABWDSA-FMQUCBEESA-N 378.613 5.697 10 1 GKCF CC(C)(C)C(=O)Oc1ccc(/N=N/c2ccc(OC(=O)C(C)(C)C)cc2)cc1 26004434 RKGKVNHGLLXEBH-WCWDXBQESA-N 382.460 6.005 10 1 GKCF CCCCCCNc1ccc(Nc2c3ccccc3nc3ccccc23)cc1OC 53151293 ZQVJPBJGPRCQKG-UHFFFAOYSA-N 399.538 7.132 10 1 GKCF C[C@H](/N=N/c1nc2ccccc2s1)c1ccc(-c2cccc(C(=O)O)c2)o1 169730140 VXBRZBNJAKCQTI-FYKQZTOXSA-N 377.425 6.099 10 1 GKCF Cc1cccc(-n2c(C)cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2C)c1 587512392 NJNUVWSSOWOOOR-RUZDIDTESA-N 385.507 5.988 10 1 GKCF Cc1c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2n1C 587755137 OIZBGAYAGJMZON-YBTHPKLGSA-N 387.296 5.012 10 1 GKCF CCOP(=O)(OCC)O[C@@H](Nc1ccc(C)cc1)c1ccc(N(C)C)cc1 43015704 QSDOVRLPBHJLOP-HXUWFJFHSA-N 392.436 5.369 10 1 GKCF NCC(CN)CCCCc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 26751626 NMYMLUVIUHKFHF-UHFFFAOYSA-N 398.554 5.378 10 1 GKCF Cc1cc(C)c(O)c(CN(Cc2ccc(O)cc2)C(=S)Nc2ccccc2)c1 45339295 ATUGWBRHDFGSKE-UHFFFAOYSA-N 392.524 5.114 10 1 GKCF Cc1cc(F)c2[nH]c([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@H]43)nc2c1 587276976 PBWMXEPSPJBDHA-PJIJBLCYSA-N 378.407 5.054 10 1 GKCF COc1ccc(-c2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)cc1 587921810 AJOPKNBIIPKTJJ-UHFFFAOYSA-N 378.472 6.032 10 1 GKCF Cc1cc(-c2csc(-c3ccc(C(C)C)cc3)n2)c(C)n1-c1ccccc1F 587922917 YZSHVVGRWBXFSQ-UHFFFAOYSA-N 390.527 7.147 10 1 GKCF O=C(/N=N/c1c(O)[nH]c2ccccc12)c1cc(-c2ccc3ccccc3c2)n[nH]1 5596038 LAXPAWZZWXMRAM-CYYJNZCTSA-N 381.395 5.341 10 1 GKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4nccc(Cl)c4[nH]3)cc2)cc1 587195777 MTPWKCKSXVHMSY-UHFFFAOYSA-N 376.851 5.760 10 1 GKCF CCC(=O)N1c2ccccc2N=C2CCCC(O)=C2[C@@H]1c1ccc(N(C)C)cc1 102448737 ZWFNHWVZVMQGGU-DEOSSOPVSA-N 389.499 5.319 10 1 GKCF O=S(=O)(O)c1ccc(/N=N/c2ccc3ccccc3c2O)c2ccccc12 29249340 YJKOJAOWELJIMM-QURGRASLSA-N 378.409 5.361 10 1 GKCF Cc1cc(-c2csc(-c3cccc4ccccc34)n2)c(C)n1-c1ccccc1F 587922653 RVDBNJOGPNSXLP-UHFFFAOYSA-N 398.506 7.177 10 1 GKCF Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1nc3c(Cl)cnc(Cl)c3[nH]1)N2 587078158 JKSDBQRUUWKZAX-RBZYPMLTSA-N 391.689 5.745 10 1 GKCF Cc1cc(F)c2[nH]c([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@H]43)nc2c1 587276974 PBWMXEPSPJBDHA-IQUTYRLHSA-N 378.407 5.054 10 1 GKCF Oc1ccc(C2=NN(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)C2)cc1 1857655578 GNAAZOKKHBASEJ-OAQYLSRUSA-N 383.278 6.055 10 1 GKCF CCCOC(=O)[C@H]1C[C@@H]2COc3ccc(/N=N/c4ccccc4)cc3[C@@H]2N1CC 84652921 HMLGHCBAKXJAAW-MRGGGGICSA-N 393.487 5.199 10 1 GKCF COc1ccc(N2CCN3C[C@H]2CC[C@H]3C(c2ccccc2)c2ccccc2)cc1 254004772 RMIUMOINQIRNDK-RSXGOPAZSA-N 398.550 5.180 10 1 GKCF Fc1c(F)c(F)c2[nH]c([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)nc2c1F 587078662 YSKIENAPYOICOO-DRTKUVKGSA-N 393.771 5.599 10 1 GKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(C(C)(C)C)c2O)N1 587833845 PNHGLVSWWJOHGK-BBATYDOGSA-N 392.312 5.215 10 1 GKCF CCN(CC)c1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587738582 BJPGLMSACAQICP-RBZFPXEDSA-N 391.328 5.058 10 1 GKCF Cc1ccccc1NC(=O)c1ccc(/N=N/Cc2ccccc2O)c([N+](=O)[O-])c1 169692393 QFKXEEPCIYIMHQ-ZNTNEXAZSA-N 390.399 5.145 10 1 GKCF Cc1ccccc1NC(=S)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1O 72175038 HBAGPQITQQIPRY-OAQYLSRUSA-N 387.508 5.249 10 1 GKCF C[C@H](SCc1ccccc1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 586960257 AITITMMPAIHGCA-AWEZNQCLSA-N 398.487 5.333 10 1 GKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(C(C)(C)C)c2O)N1 587835483 XKBSSKVEENPEDB-BBATYDOGSA-N 392.312 5.215 10 1 GKCF Cc1cc(-c2csc(-c3ccc4nonc4c3)n2)c(C)n1-c1ccccc1F 587922979 ZRJCUUZIVVMMDA-UHFFFAOYSA-N 390.443 5.560 10 1 GKCF CC(C)=CCc1c(O)cc(O)c(CC=C(C)C)c1CCc1ccc(O)c(O)c1 5854444 QFAPONVNJTUMHF-UHFFFAOYSA-N 382.500 5.312 10 1 GKCF endogenous,in-man CC(C)c1ccc(CNc2ccc3c(c2)ncn3-c2ccc(C(C)(C)C)cc2)cc1 95580945 LAMFXYORUSJJHT-UHFFFAOYSA-N 397.566 7.059 10 1 GKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(C)(C)C)ccc2O)N1 587823886 XAEPQDAZLKNYEH-WLRWDXFRSA-N 392.312 5.215 10 1 GKCF CC[C@]1(c2ccc(Cl)cc2O)N[C@H](C)Cc2ccc(F)c(Br)c21 587701370 XELJEIFTKBAAQZ-MLCYQJTMSA-N 398.703 5.135 10 1 GKCF Nc1ccc(Oc2ccc3nc(-c4ccc(C(F)(F)F)cc4F)[nH]c3c2)cc1 587110243 XGNXHKDZAGUQCJ-UHFFFAOYSA-N 387.336 5.762 10 1 GKCF CC(=O)N(CCc1nc(-c2cc(C)n(-c3ccccc3F)c2C)cs1)C(C)C 587922820 XFNRDCFLKVLKDF-UHFFFAOYSA-N 399.535 5.156 10 1 GKCF Clc1ccccc1C[n+]1ccc(Cn2c3c(c4ccccc42)CCCC3)cc1 1857538433 OKPLHTAHXRTJBI-UHFFFAOYSA-N 387.934 5.558 10 1 GKCF CC(C)C[C@]1(CCO)C[C@H](CN=[N+]=[N-])ON1Cc1ccc(-c2ccccc2)cc1 49020466 XPWZDWPZJXNISN-DHIUTWEWSA-N 394.519 5.337 10 1 GKCF Cc1cc(N2CCCCC2)ccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587514374 NZTQGPGAINSPSG-DEOSSOPVSA-N 375.512 5.571 10 1 GKCF CC(C)=CCCC(C)=CCC(C[C@]1(C)C(=O)c2cc(O)cc(O)c2C1=O)=C(C)C 2356795477 MBRGORCSJIULPD-RUZDIDTESA-N 396.527 6.292 10 1 GKCF Cc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3cccc(C)c3nc2c1 26841866 ATYPOMDWRQXMMI-UHFFFAOYSA-N 391.496 5.120 10 1 GKCF CCN(CCCNc1c2ccc(OC)cc2nc2c(C)c(F)ccc12)CC(C)C 40812576 USOVCUNXPJJYNJ-UHFFFAOYSA-N 397.538 5.624 10 1 GKCF CCOC(CCNCc1c(C)ccc([C@@H](C)CCC=C(C)C)c1O)OCC 299834988 ULIFFDGYBPHWRP-SFHVURJKSA-N 377.569 5.429 10 1 GKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(F)c(C)c3[nH]1)[C@H]1CC=C[C@@H]21 587277564 YKPNYZVOVFVBKU-CKNLXJGOSA-N 378.407 5.054 10 1 GKCF COc1cc2c3c(c1)O[C@@H](c1cc(N=Nc4ccccc4)ccc1O)[C@@H](C2)C3=O 587428593 KLOCPYCXHMQUDP-MBSDFSHPSA-N 386.407 5.305 10 1 GKCF Oc1c([C@H](Nc2ccc(F)cn2)c2ccc(F)cc2Cl)ccc2cccnc12 202327350 WAXACFSQQUNXME-HXUWFJFHSA-N 397.812 5.469 10 1 GKCF Cc1c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n(C)c2ccccc12 587759280 ZVPYJKDQRUUZCP-JEOXALJRSA-N 387.296 5.012 10 1 GKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(C)(C)C)ccc2O)N1 587822997 SAAAWXAWAJHCKB-JEOXALJRSA-N 392.312 5.215 10 1 GKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4cc5[nH]c(O)nc5cc4[nH]3)cc2)cc1 587196645 WWHRCEYUJVJJIZ-UHFFFAOYSA-N 397.442 5.293 10 1 GKCF CC(C)N(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc2ccccc2c1 653718530 VLHHYJSOZWHHMC-UHFFFAOYSA-N 386.539 5.881 10 1 GKCF Clc1cc(Cl)c2c(c1)[C@@H](c1ccc(N3CCCCC3)cc1Cl)NCC2 963114105 WKBKRTPNGQDJSZ-HXUWFJFHSA-N 395.761 5.872 10 1 GKCF CC(=CCc1c([C@@H]2CC(=O)c3ccc(O)cc3O2)ccc(O)c1O)CCC(C)C 2356609378 XCUBCLPUFODHKK-QHCPKHFHSA-N 396.483 5.435 10 1 GKCF CSc1ccc(-c2ccc(C)n2-c2cc(Cl)cc(Br)c2)cc1 587939363 BIODDAPTDRQSOW-UHFFFAOYSA-N 392.749 6.591 10 1 GKCF Oc1cccc(CCC/C=C\CCCCCCCc2cccc(O)c2O)c1O 33831409 DHFYTZLZLPEBOW-HYXAFXHYSA-N 384.516 5.971 10 1 GKCF biogenic,in-vitro Oc1ccc(C2=NN(C(=S)Nc3ccccc3)[C@@H](c3cccs3)C2)cc1 45386407 ALGBAFAQEQIPEW-GOSISDBHSA-N 379.510 5.002 10 1 GKCF C[C@@H]1CN(c2ccc([C@H]3NCCc4cccc(-c5ccccc5)c43)cc2)C[C@@H](C)O1 962666204 MNCRHONFVIGGBN-SEXOINJZSA-N 398.550 5.202 10 1 GKCF Nc1ccc2c(Nc3ccc(CN4CCCCC4)cc3)c3ccc(N)cc3nc2c1 29309528 CTFZRVMTDLEVMN-UHFFFAOYSA-N 397.526 5.282 10 1 GKCF O=C(O)CCCCCCc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 40475047 WWCUTIAJRCVZQH-UHFFFAOYSA-N 398.506 6.709 10 1 GKCF O=C(O)c1cccc2c(-c3ccc(F)c(F)c3)c(-c3ccc(Cl)cc3)[nH]c12 587638000 SCWXROHNURQLAJ-UHFFFAOYSA-N 383.781 6.132 10 1 GKCF Oc1[nH]c2ccc(Br)cc2c1/N=N/c1ccc(Cl)c(Cl)c1 103966581 UYMUKFLNYBYZHP-FMQUCBEESA-N 385.048 6.358 10 1 GKCF CSc1ccc(-c2ccc(C)n2CCCc2ccc(Cl)c(Cl)c2)cc1 587943313 VOWWWODQQZKCHC-UHFFFAOYSA-N 390.379 7.125 10 1 GKCF CC[C@H](C)n1cc(Cl)c(-c2nc3cc(Oc4ccc(N)cc4)ccc3[nH]2)n1 587080656 XGFKFXCJSMXYGK-LBPRGKRZSA-N 381.867 5.425 10 1 GKCF CC1=C[C@H]2C(c3ccccc3)=NC(/N=N/c3c(O)[nH]c4ccccc34)=N[C@@H]2C=C1 6655042 JNJLVDZRTHSZDF-BHVXUPSRSA-N 381.439 5.317 10 1 GKCF Cc1ccc2ccccc2c1-c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 586883215 IZRIOJGAQWSBTJ-UHFFFAOYSA-N 388.426 5.467 10 1 GKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4ccncc4)n3)c2C)c1 587924164 JHIXVOLGXSMIHC-UHFFFAOYSA-N 377.538 6.002 10 1 GKCF Cc1[nH]c(N=Nc2cccc(C(=O)O)c2)c(C)c1-c1cc2c3c(cccc3n1)CC2 587212294 RUYBBWGSAXBBRX-UHFFFAOYSA-N 396.450 6.059 10 1 GKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc(O)cc4)n3)c2C)c1 587924280 PPADQHLOGKQRNT-UHFFFAOYSA-N 392.549 6.312 10 1 GKCF CN1CCc2cc(Sc3ccccc3)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3 72106489 KQUKOXMDOZGIMI-LJQANCHMSA-N 375.493 5.001 10 1 GKCF CC(C)(Oc1ccc(COc2ccc(/N=N/c3ccccc3)cc2)cc1)C(=O)O 95564103 GAKQARXXOLKBGC-OCOZRVBESA-N 390.439 5.923 10 1 GKCF CC(C)=CCOc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1CC=C(C)C 238782916 XJZGVSRLSKETIL-SOFGYWHQSA-N 380.484 5.828 10 1 GKCF O=C(O)c1cccc2c(-c3cnccn3)c(-c3ccc(C(F)(F)F)cc3)[nH]c12 587637711 OKPQCRMZOPLXQG-UHFFFAOYSA-N 383.329 5.009 10 1 GKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4cc([C@@H](N)N=O)ccc4[nH]3)cc2)cc1 587195551 LLQGWWPQIQCIPS-NRFANRHFSA-N 399.458 5.435 10 1 GKCF Cc1ccc2[nH]c(O)c(/N=N/C(=O)[C@@H]3C[C@@H]3c3ccccc3)c2c1Br 15221333 YOPPNVGYQQWBPH-OIYAGSDASA-N 398.260 5.358 10 1 GKCF COC(=O)c1cc(-n2c(-c3ccccc3)cc3c2CCc2ccccc2-3)ccc1O 39194404 ITOXSJMKCKPGPC-UHFFFAOYSA-N 395.458 5.402 10 1 GKCF O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(/N=N\c2c[nH]c3ccccc23)cc1 98082456 STYOONXWLPSEHQ-IZHYLOQSSA-N 385.383 5.744 10 1 GKCF Cc1cc(O)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1Cl 587698654 ZIRJMWZHUKXOOF-DYBLOJMWSA-N 398.703 5.188 10 1 GKCF C[C@@]1(c2ccc(N3CCCCCC3)cc2)c2ccc(F)cc2C[C@H]2CCCN21 963117468 WVHPSDSMGKSZHK-ILBGXUMGSA-N 378.535 5.490 10 1 GKCF CN(C)c1ccc(N=Nc2ccc(N=Nc3c(O)ccc4ccccc34)cc2)cc1 1081818951 UGWIBERFWUXJNU-UHFFFAOYSA-N 395.466 7.442 10 1 GKCF biogenic COc1ccc(CN(Cc2ccc3ccccc3c2)c2ccc3c(c2)CC=N3)cc1 100629515 RIGZTVQKRHCTIH-UHFFFAOYSA-N 392.502 6.314 10 1 GKCF Cc1cc(-c2csc(-c3cccc4cnccc34)n2)c(C)n1-c1ccccc1F 587922533 PRBWTUOQYIRIMC-UHFFFAOYSA-N 399.494 6.572 10 1 GKCF CC(C)(C)c1cc([C@H]2c3ccc(F)cc3C[C@H]3CCCN32)c(O)c(C(C)(C)C)c1 963111160 RMEWTGJSAZLXMJ-AUSIDOKSSA-N 395.562 6.236 10 1 GKCF COc1cccc(-c2cccc(-n3c(CCC(=O)O)ccc3-c3ccccc3)c2)c1 587938289 UIVLSVREBDFUKU-UHFFFAOYSA-N 397.474 5.837 10 1 GKCF CCOC(=O)c1c(-c2ccc(F)cc2)oc2ccc(O)c(CN3CCCCC3)c12 1772584723 IVXGGPXOOBCNJF-UHFFFAOYSA-N 397.446 5.107 10 1 GKCF Oc1ccc(C2=NN(c3cccc(Cl)c3)[C@@H](c3cccc(Cl)c3)C2)cc1 1857653626 PYVVBCSYAJFJOP-OAQYLSRUSA-N 383.278 6.055 10 1 GKCF Cc1ccc2c(c1)sc(/C=C/c1ccc(N(C)C)cc1)[n+]2Cc1ccccc1 82151983 PJXMXSMWSMKWSE-UHFFFAOYSA-N 385.556 5.782 10 1 GKCF Oc1ccc(CNC2(c3ccccc3F)CCCC2)cc1CN1CCCCC1 473098368 FSXSKZYSRUOQIC-UHFFFAOYSA-N 382.523 5.076 10 1 GKCF Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1nc3cc4c(cc3[nH]1)OCCCO4)N2 587078392 PJRNQTFRRYOZTH-QTCYRWPVSA-N 393.874 5.204 10 1 GKCF CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCc1cc(O)cc(O)c1O 2356842823 MYSSQNMFYDHCAT-UHFFFAOYSA-N 398.587 7.492 10 1 GKCF CC1(C)CC(=O)c2c(Sc3nccs3)sc(-c3nccs3)c2C1 13520442 UWUIVVCHGRIVSE-UHFFFAOYSA-N 378.569 5.634 10 1 GKCF CCc1c(CN2CCSCC2)cc(-c2ccccc2)n1-c1ccc(F)cc1 45258853 OWXVYYYLNWIQMT-UHFFFAOYSA-N 380.532 5.395 10 1 GKCF Oc1[nH]c2ccc(Br)cc2c1/N=N/c1ccc(C(F)(F)F)cn1 101648159 OEIPRFLUNMBQOL-QURGRASLSA-N 385.143 5.465 10 1 GKCF FC(F)(F)c1cnc2[nH]c([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)nc2c1 587078238 MAMCCSGXQFRKEJ-OZVIIMIRSA-N 390.796 5.457 10 1 GKCF Cc1cc(-c2csc(-c3cccc4cccnc34)n2)c(C)n1-c1ccccc1F 587922598 RAWFKHHDLHCYMZ-UHFFFAOYSA-N 399.494 6.572 10 1 GKCF CO[P@](C)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 28240767 IZHBEGPLKDYMFZ-MHZLTWQESA-N 377.384 6.013 10 1 GKCF CCn1c(C)nc2cc(C(=O)/N=N/c3c(O)[nH]c4c(C)cc(C)cc34)ccc21 101563401 KCPOAHUVIUVELB-OCOZRVBESA-N 375.432 5.092 10 1 GKCF C[C@@H](SCc1ccccc1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 586960258 AITITMMPAIHGCA-CQSZACIVSA-N 398.487 5.333 10 1 GKCF Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1nc3cc(Cl)c(Cl)nc3[nH]1)N2 587078569 VZHMFFRODVNTFR-WMFXKJRFSA-N 391.689 5.745 10 1 GKCF CCCN1CCc2cc(-c3ccc(O)cc3)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3 43120417 UIDHCUWLPJKWMW-OAQYLSRUSA-N 387.479 5.003 10 1 GKCF in-vitro CCCN(CCC)c1ccc([C@@H]2c3cc(OC)ccc3CCN2C(C)C)cc1 962091025 KNBHKFJRZILRCJ-RUZDIDTESA-N 380.576 5.678 10 1 GKCF COc1ccc(N2CCCN(c3c(C)c(C)c4c(c3C)CC(C)(C)O4)CC2)cc1 114334201 MNIRCDLPWYWKRW-UHFFFAOYSA-N 394.559 5.051 10 1 GKCF COc1cc(/C=C\c2nc3ccc(Sc4ccccc4)cc3[nH]2)cc(O)c1O 587785152 IHDVAFWLHAINIH-YFHOEESVSA-N 390.464 5.304 10 1 GKCF CC1=C(O)[C@@](C)(CCCCC[C@@H](C)CCCCc2ccc(O)c(O)c2)OC1=O 2356840996 NDMXTVSFATUCSK-WAIKUNEKSA-N 390.520 5.545 10 1 GKCF Cc1cccc(NC(=S)N2N=C(c3ccccc3)C[C@@H]2c2ccccc2O)c1 72174988 RJBOJLOJVNDFMK-OAQYLSRUSA-N 387.508 5.249 10 1 GKCF COc1cc2c3c(c1)O[C@@H](c1cc(C)n(-c4ccc(C)c(C)c4)c1C)[C@@H](C2)C3=O 587430998 LLXPHTXFTPYHEB-OFVILXPXSA-N 387.479 5.208 10 1 GKCF O=C(O)[C@H]1[C@@H]2CC=C[C@H]2c2cc(Oc3ccccc3)cc3c2N1C[C@H]1CC=C[C@H]31 5128603 JFRAUHQWVZAEAI-XZLASXQUSA-N 385.463 5.085 10 1 GKCF CCN(CC)CCNc1cc(C=Cc2c[nH]c3ccccc23)[n+](C)c2ccccc12 1857593469 WPOGUGAMHCKRKY-UHFFFAOYSA-O 399.562 5.070 10 1 GKCF O=C(/N=N/c1c2nc3ccccc3[nH]c-2c2ccccc12)c1ccccc1[N+](=O)[O-] 169730524 AJLWILXWYGESPU-OCEACIFDSA-N 395.378 5.653 10 1 GKCF Oc1cc(Cl)c(Cl)cc1[C@H]1c2ccsc2CCN1Cc1ccco1 962704087 IKNNUROESWPREY-GOSISDBHSA-N 380.296 5.501 10 1 GKCF O=C(/N=N/c1c2[nH]c3ccccc3nc-2c2ccccc12)c1cccc(Cl)c1 5857974 YFIXGPMJZPCDQT-CYYJNZCTSA-N 384.826 6.398 10 1 GKCF CN(C)Cc1ccc(Nc2c3ccc(Cl)cc3nc3cc(Cl)ccc23)cc1 29245311 HXRGCPUWFIONHC-UHFFFAOYSA-N 396.321 6.500 10 1 GKCF CC(C)(C)c1ccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2n1 587077848 ATKFRFOOLZXOAM-KSMMKXTCSA-N 378.907 5.735 10 1 GKCF COc1ccc([C@H](Nc2ccccn2)c2cc(Cl)c3cccnc3c2O)cc1 96285977 IBWHIVSJSJWXAQ-FQEVSTJZSA-N 391.858 5.199 10 1 GKCF CCc1ccc(-c2cc(CN3CCSCC3)c(C)n2-c2ccc(F)cc2)cc1 42887877 BXVIMBGQTZLLQL-UHFFFAOYSA-N 394.559 5.703 10 1 GKCF CC[C@@]1(c2ccc(Cl)cc2O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587698395 PXCUSRGEXXKOCU-YPMLDQLKSA-N 398.703 5.135 10 1 GKCF CC(C)=CCC/C(C)=C/Cc1c(O)cc2oc3cc(O)c(O)cc3c(=O)c2c1O 15120681 NMNQLQLPWBRERF-NTUHNPAUSA-N 396.439 5.004 10 1 GKCF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(-c3cccc(C)c3)c1C)CC2=O 587470798 LZNYJEZQEDUAEL-XMMPIXPASA-N 389.495 5.767 10 1 GKCF CCOc1ccc(-c2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)cc1 587922846 XSKLNUBSSSMVRS-UHFFFAOYSA-N 392.499 6.422 10 1 GKCF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1ccc(N2CCCCC2)cc1Cl 963225723 FWJQKXXGMSHNLW-HOYKHHGWSA-N 382.979 6.076 10 1 GKCF CN(C)Cc1ccc2n1-c1ccccc1SC2(c1ccccc1)c1ccccc1 13651992 VXNOPNLKILRZGK-UHFFFAOYSA-N 396.559 5.937 10 1 GKCF CC(=CCc1c([C@H]2CC(=O)c3ccc(O)cc3O2)ccc(O)c1O)CCC(C)C 2356609377 XCUBCLPUFODHKK-HSZRJFAPSA-N 396.483 5.435 10 1 GKCF Cc1ccc(-n2c(C)cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2C)cc1C 587511532 HJNDQSDYROTTOG-SANMLTNESA-N 399.534 6.296 10 1 GKCF CC(C)=CCc1c(CCCc2ccc(O)cc2O)cc(O)c(O)c1CC=C(C)C 5158933 PNQQDEFGJPUAGZ-UHFFFAOYSA-N 396.527 5.702 10 1 GKCF biogenic,in-vivo O=C(N[C@@H](c1c(O)ccc2ccccc12)c1c[nH]c2ccccc12)c1ccccc1 98084251 AYHGOZKUDSKNTN-RUZDIDTESA-N 392.458 5.546 10 1 GKCF Oc1ccc2oc(-c3cccs3)cc2c1CN1CCC(N2CCCCC2)CC1 169349596 YEKKQXCEWLXZRB-UHFFFAOYSA-N 396.556 5.317 10 1 GKCF COc1cccc(C/N=N/c2nc(-c3cc4ccccc4oc3=O)cs2)c1 169693502 FEUPNLRQHKSOQV-XTQSDGFTSA-N 377.425 5.209 10 1 GKCF Cc1cc2c(N=NC(=O)[C@@H]3C[C@H]3c3ccccc3)c(O)[nH]c2cc1Br 253928589 VUIXBYVYDKRWKF-QWHCGFSZSA-N 398.260 5.358 10 1 GKCF aggregator Nc1ccc(Oc2ccc3nc(CCc4cc(F)c(F)c(F)c4)[nH]c3c2)cc1 587138054 DHXCWRTZNDBHKP-UHFFFAOYSA-N 383.373 5.140 10 1 GKCF OC1=C2C(=Nc3nc4ccccc4n3[C@@H]2c2ccccc2O)C[C@@H](c2ccco2)C1 103530004 IQUHDCKURBELGM-QKFKETGDSA-N 397.434 5.400 10 1 GKCF COc1ccc2c(c1)C[C@H](c1nc3ccc(Oc4ccc(N)cc4)cc3[nH]1)CC2 587945014 DFFSLLMVKJTDQI-MRXNPFEDSA-N 385.467 5.219 10 1 GKCF Cc1c(CNC2CCCCC2)cc(-c2ccc(Cl)cc2)n1-c1cccc(F)c1 1857604181 PPKYCQDXLHBCSV-UHFFFAOYSA-N 396.937 6.668 10 1 GKCF CSc1ccc(-c2ccc(C)n2[C@@H](COc2cc(F)cc(F)c2)N=O)cc1 587945706 PSRYNBWVLOXJNH-FQEVSTJZSA-N 388.439 5.808 10 1 GKCF CCN(CC)CCCNc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 26578866 JCUGFARAFDRTRU-UHFFFAOYSA-N 398.554 6.275 10 1 GKCF CC(C)=CCc1c(O)cc(/C=C/c2ccc(O)c(O)c2)c(CC=C(C)C)c1O 205412813 MJKSUJBAZDDQRN-VQHVLOKHSA-N 380.484 5.697 10 1 GKCF CCCNc1cc(OCC)c(Br)cc1-n1c(CC)ccc1CC 587937983 XMTIZWKTZXOPJL-UHFFFAOYSA-N 379.342 5.585 10 1 GKCF C[C@@H](/N=N/c1nc2ccccc2nc1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 169724117 JJRWKPYMWBUQNX-ZGKJFVQXSA-N 397.438 5.974 10 1 GKCF Oc1ccc(Cl)cc1Cn1nc(-c2ccc(C(F)(F)F)cc2)oc1=S 581962 OOGYXUJUUXZJKH-UHFFFAOYSA-N 386.782 5.299 10 1 GKCF O=C(NCc1ccc(N2CCCCCC2)c(F)c1)Nc1cccc2cnccc12 14973485 FGHMUMXBRABSJJ-UHFFFAOYSA-N 392.478 5.076 10 1 GKCF Cc1cc(=O)oc2cc(/N=N/c3ccccc3)c(O)c(/N=N/c3ccccc3)c12 1857600710 JOSCDYTUXFHTPA-OGGGYYITSA-N 384.395 6.638 10 1 GKCF Cc1cc(O)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl 587697591 WYWXAKVGTLKNQV-YPMLDQLKSA-N 398.703 5.053 10 1 GKCF CCC(=CC1=[N+](C)c2ccccc2C1(C)C)C=C1N(C)c2ccccc2C1(C)C 5128467 BZRZEYATSNESFV-UHFFFAOYSA-N 385.575 6.341 10 1 GKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc4ccccc4cc3[nH]1)[C@@H]1CC=C[C@H]21 587275260 AVIQGENEVMIRHT-IXFSTUDKSA-N 396.450 5.759 10 1 GKCF O=c1c2ccccc2oc2cc(-c3ccc(O)c(O)c3)c(-c3ccc(O)cc3)cc12 64274686 AVCFUDLYTWXNIU-UHFFFAOYSA-N 396.398 5.397 10 1 GKCF COc1ccc([C@H](Cc2ccc(N)cc2)c2ccccc2)cc1OC1CCCC1 13441973 QCGCIBJTKDZRHA-XMMPIXPASA-N 387.523 5.973 10 1 GKCF O=C(Nc1sc(-c2ccccc2)cc1C(=O)O)c1ccc(-c2ccccc2)cc1 103251998 KAUYZJPNNRYMKG-UHFFFAOYSA-N 399.471 6.033 10 1 GKCF CC(C)=CCCC(C)=CCCC(C)=CCC[C@]1(C)C=Cc2c(ccc(O)c2O)O1 2356452145 HDKOYWYEMWGKBR-AREMUKBSSA-N 396.571 7.462 10 1 GKCF CC(C)c1ccc(O)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587823125 SKLMQXSBYZPPPL-MPBGBICISA-N 392.312 5.215 10 1 GKCF O=C(NCC=C1c2ccccc2CCc2ccccc21)Nc1ccc(Cl)cc1 13451930 CMBCGBMKIYHKDY-UHFFFAOYSA-N 388.898 5.692 10 1 GKCF CSc1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@H]43)[nH]c2c1 587275256 ATUVOZWPXGYXJI-STXHMFSFSA-N 392.484 5.328 10 1 GKCF CCN(CC)c1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587739887 HRTQOOSDROBXMC-XCLFUZPHSA-N 391.328 5.058 10 1 GKCF CC(=O)Nc1ccc2c(Nc3ccc(CCC(=O)O)cc3)c3ccccc3nc2c1 26845677 NVQXQRJMWPIZFM-UHFFFAOYSA-N 399.450 5.107 10 1 GKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3ccccc3c2O)N1 587834563 SFJSISYBYTXSJS-NSPYISDASA-N 386.264 5.071 10 1 GKCF C/C(=C\Cc1c([C@@H]2CC(=O)c3ccc(O)cc3O2)ccc(O)c1O)CCC(C)C 15119964 XCUBCLPUFODHKK-LMAJSVEBSA-N 396.483 5.435 10 1 GKCF endogenous,in-man Cc1ccnc2c1CCN[C@H]2c1cccc(-c2ccccc2C(F)(F)F)c1O 963073469 QEGNQDVIBURUIY-FQEVSTJZSA-N 384.401 5.017 10 1 GKCF CC1=N[C@@H](c2cccc(C)c2)C(O)=C1/C=C1/C(=O)N(c2ccc(C)cc2C)N=C1C 1857584644 JETWDDZOHORUKH-RQLGBQGVSA-N 399.494 5.289 10 1 GKCF Cc1cc(-c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c(C)n1-c1ccccc1F 587921826 BJQLPPBBSXKXFF-UHFFFAOYSA-N 393.443 5.932 10 1 GKCF Cc1ccc2c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(C)n(C)c2c1 587574591 BSNBMZUNTIKNFN-RCZVLFRGSA-N 399.446 5.204 10 1 GKCF CO[C@H](C)COC1CCC(c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)CC1 587950954 FOXBAWWBTAJFJB-KLHKWILBSA-N 395.503 5.015 10 1 GKCF c1cc2c(N3CCCC3)c3ccc(N4CCCC4)cc3nc2cc1N1CCCC1 28386005 IVFADSNADHLCKT-UHFFFAOYSA-N 386.543 5.189 10 1 GKCF Cc1ccc(CSCCc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc1 586971527 TYRPXCDBBLFYTG-UHFFFAOYSA-N 389.524 5.722 10 1 GKCF CC1=C[C@H]2C(c3ccccc3)=NC(N=Nc3c(O)[nH]c4ccccc34)=N[C@@H]2C=C1 617988253 JNJLVDZRTHSZDF-IEBWSBKVSA-N 381.439 5.317 10 1 GKCF Cc1cccc(OCCn2cccc2C/N=N/c2nc3ccccc3s2)c1 169693098 GOIHVAUEXXQYIP-ZNTNEXAZSA-N 376.485 5.769 10 1 GKCF Clc1ccccc1C[n+]1cccc(Cn2c3c(c4ccccc42)CCCC3)c1 1857537986 MRWPQRFFNKPHGZ-UHFFFAOYSA-N 387.934 5.558 10 1 GKCF CCC(CC)CNc1ccc(O)c(CNc2cccc(OC(=O)N(C)CC)c2)c1 1857556861 MAMWXUJCYLBRCL-UHFFFAOYSA-N 399.535 5.303 10 1 GKCF CC(C)c1cc(Nc2ccnc3cc(Cl)ccc23)cc(CNC(C)(C)C)c1O 26652489 FBGAYAGVAIQDBP-UHFFFAOYSA-N 397.950 6.349 10 1 GKCF FC(F)(F)c1cc(/N=N/C2=CN(Cc3ccccc3)CCC2)ccc1Cl 40918912 IONSCDXOGZLRJW-OCOZRVBESA-N 379.813 6.580 10 1 GKCF CCN(CC)c1ccc2c(c1)O[C@@]1(C=C2)Oc2ccccc2C=C1c1ccccc1 5139489 KDMXIQJIVFETAO-HHHXNRCGSA-N 395.502 6.268 10 1 GKCF CC(=O)Nc1c(C)cc(C)c2c1C(=O)C(=O)c1c(-c3ccc(F)cc3)csc1-2 35847587 IGGLWDUSNQSNBF-UHFFFAOYSA-N 393.439 5.175 10 1 GKCF O=C(O)[C@@H]1[C@H]2CC=C[C@@H]2c2cc(Oc3ccccc3)cc3c2N1C[C@@H]1CC=C[C@@H]31 169295764 JFRAUHQWVZAEAI-SABVNUKFSA-N 385.463 5.085 10 1 GKCF COc1ccccc1[C@]1(C)C[C@H]1c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587930258 NSFBCLDSVCKOLW-CYFREDJKSA-N 385.467 5.391 10 1 GKCF CCN(CC)c1ccc(CN(C(=O)Cc2ccccc2)c2ccc(C)cc2)cc1 95585387 YJWAFGIHWKDOSR-UHFFFAOYSA-N 386.539 5.617 10 1 GKCF C[C@@]1(c2c(O)cccc2Br)NCCc2cc(-c3ccccc3)ccc21 962671965 XMMUCPMZXXFIIS-JOCHJYFZSA-N 394.312 5.231 10 1 GKCF CCN(CC)c1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587738585 BJPGLMSACAQICP-ZUOKHONESA-N 391.328 5.058 10 1 GKCF Cc1ccc(/N=N/c2c(N)nn3c(-c4ccco4)cc(-c4ccco4)nc23)cc1 1772616605 ATGSEPCQRCBRHK-OCOZRVBESA-N 384.399 5.555 10 1 GKCF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](N=[N+]=[N-])CC[C@@]43C)[C@@H]1CC=C2c1cccnc1 141914732 LEWJQDLUNFLLIS-PFQGPGDOSA-N 376.548 6.797 10 1 GKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Cl)cc(C)c3[nH]1)[C@@H]1CC=C[C@@H]21 587271917 LILQGLTWKIWNCY-SXGZJXTBSA-N 394.862 5.568 10 1 GKCF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)n(-c3ccccc3Cl)c1C)O2 587375881 AILSPEVVWZHHTK-NRFANRHFSA-N 380.875 5.345 10 1 GKCF O=C1C[C@H](c2cc(N=Nc3ccccc3)ccc2O)Oc2c1ccc1c2CCCC1 587508631 WRHUCPZNRJRDMJ-XMMPIXPASA-N 398.462 6.393 10 1 GKCF CC[n+]1c(/C=C/N(C)c2ccccc2)oc(-c2ccccc2)c1-c1ccccc1 2831189 PHUCBKLPJDQXKN-UHFFFAOYSA-N 381.499 6.028 10 1 GKCF O=Cc1nc(-c2cc(Cl)cc(Cl)c2)c(-c2cc(Cl)cc(Cl)c2)[nH]1 25978723 VBKUBFQFEUMEMG-UHFFFAOYSA-N 386.065 6.170 10 1 GKCF CCCC(=O)C[C@@H](C)c1ccc(OC2CN(c3ccc(OCC)cc3)C2)cc1 96173013 VXVCODQVMZGTBQ-GOSISDBHSA-N 381.516 5.216 10 1 GKCF C[C@H]1CN(c2ccc([C@H]3NCCc4cccc(-c5ccccc5)c43)cc2)C[C@@H](C)O1 962666201 MNCRHONFVIGGBN-IOKPGSKQSA-N 398.550 5.202 10 1 GKCF CN(CCOc1ccccc1)c1ccc(OC23CC4CC(CC(C4)C2)C3)cc1 39239945 OLPXGOGVTCWCLY-UHFFFAOYSA-N 377.528 5.549 10 1 GKCF Cc1ccc(-c2csc(-n3[nH]c(C)c(/N=N/c4ccccc4O)c3=O)n2)cc1 169689122 DVCGMXSSUXGHPK-GHVJWSGMSA-N 391.456 5.027 10 1 GKCF CC(C)c1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O 587830084 AYSMOVNFMLGBQT-BBATYDOGSA-N 378.285 5.041 10 1 GKCF O=C(CCn1c2c(c3ccccc31)CCCC2)N=Nc1c(O)[nH]c2ccccc12 617960119 VNMJARKWUJYRTI-UHFFFAOYSA-N 386.455 5.408 10 1 GKCF O=C(N=Nc1c(O)[nH]c2ccc(Br)cc12)c1ccc2ccccc2n1 617960325 UEEFMKDPJAIFHH-UHFFFAOYSA-N 395.216 5.108 10 1 GKCF CCc1c(C)nc2c(C)cccc2c1Nc1ccc(NCCN(CC)CC)cc1 34801115 VWHNYSUZLOHFTG-UHFFFAOYSA-N 390.575 5.911 10 1 GKCF O=C(O)c1ccc(/N=N/Cc2cn(-c3ccccc3)nc2-c2cccs2)cc1 169688510 GSBICYZRVYRHAF-GHVJWSGMSA-N 388.452 5.583 10 1 GKCF Nc1ccc(Oc2ccc3nc(-c4cccc(-c5ccsc5)c4)[nH]c3c2)cc1 587027132 PNNJNMHWNHADBE-UHFFFAOYSA-N 383.476 6.333 10 1 GKCF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cc(C(F)(F)F)c(F)cc2O)N1 962958435 QAUVXONFZBFGGM-GIGQVBGESA-N 378.369 5.045 10 1 GKCF CCOc1ccccc1Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 72107223 YDUKPOBQKGVCTO-UHFFFAOYSA-N 378.859 6.192 10 1 GKCF Cc1nc(/N=N/[C@H](C)c2ccc(Br)cc2)cc(N2CCCCC2)n1 169689051 BPMFYJYDZFKDCR-IKYLFJRQSA-N 388.313 5.383 10 1 GKCF CN(CCC=C1c2ccccc2CCc2ccccc21)[C@H]1CCCC[C@H]1C(=O)O 299864776 MTSIDGAVICKWLM-RPBOFIJWSA-N 389.539 5.182 10 1 GKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Cl)cc(C)c3[nH]1)[C@H]1CC=C[C@@H]21 587271916 LILQGLTWKIWNCY-SIFCLUCFSA-N 394.862 5.568 10 1 GKCF Cc1cc(OCc2ccc(Cl)cc2Cl)ccc1N1CCC[C@H]1CC(=O)O 1772627640 DCOYDDQUSJYDSB-INIZCTEOSA-N 394.298 5.324 10 1 GKCF COc1cccc(-c2cccc(-n3c(C)ccc3-c3ccc(SC)cc3)c2)c1 587938193 QNMOGXKOFPZNFI-UHFFFAOYSA-N 385.532 6.850 10 1 GKCF Cc1ccc(-c2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)cc1C 587922296 NRSIVWFHSSLJOC-UHFFFAOYSA-N 376.500 6.641 10 1 GKCF COc1cc2c(c3c1C[C@H]1[C@@H]3[C@H](c3ccc(O)c(O)c3)C1(C)C)C=CC(C)(C)O2 35029354 SXWKVOUWXXHZAC-GMWOSMDTSA-N 392.495 5.370 10 1 GKCF Cc1cc(-c2csc(-c3cnn4cccnc34)n2)c(C)n1-c1ccccc1F 587921807 AHCFZXPGCNINOL-UHFFFAOYSA-N 389.459 5.066 10 1 GKCF Cc1cccc2c(Nc3ccc(OCCCC(=O)O)cc3)c3ccccc3nc12 169322381 BFXVWHYMRLOCLU-UHFFFAOYSA-N 386.451 5.684 10 1 GKCF Oc1ccc2cc(Br)ccc2c1[C@H](c1ccccc1)N1CCCCC1 653706690 HDUNBQTWMRMOBQ-QFIPXVFZSA-N 396.328 5.883 10 1 GKCF CCCCCNCc1ccc(Nc2c3ccc(N)cc3nc3cc(N)ccc23)cc1 29251078 FPNJUEVLBFAWQM-UHFFFAOYSA-N 399.542 5.576 10 1 GKCF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)n(-c3cccc4ccccc34)c1C)O2 587388621 DWZINNNXOVEGRL-VWLOTQADSA-N 396.490 5.844 10 1 GKCF C[C@@H]1CN(c2ccc([C@@H]3NCCc4cccc(-c5ccccc5)c43)cc2)C[C@@H](C)O1 962666199 MNCRHONFVIGGBN-DVHCVUMVSA-N 398.550 5.202 10 1 GKCF COc1cc2c3c(c1)O[C@H](c1c(C)n(CC(C)C)c4ccccc14)[C@@H](C2)C3=O 587429671 CJOUJTPGMCFRGI-UUOWRZLLSA-N 375.468 5.103 10 1 GKCF COc1cccc(-c2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)c1 587922235 LRYXNVNMBYRZGV-UHFFFAOYSA-N 378.472 6.032 10 1 GKCF Nc1c(C(=O)O)sc2nc(-c3ccccc3)cc(-c3ccc(Cl)cc3)c12 1305941 QKJGNDRNIPRKMW-UHFFFAOYSA-N 380.856 5.564 10 3 GKCF COc1ccc(Cl)c2c1CCN[C@H]2c1ccc2c(c1)C(C)=CC(C)(C)N2C 963258557 OCRROXKWPGDLMP-QFIPXVFZSA-N 382.935 5.215 10 1 GKCF Cc1cc(C=C[C]2C=Cc3cc(N(C)C)ccc3N2C)c(C)n1-c1ccccc1 2356838326 AYTVQWAIJHOCDZ-UHFFFAOYSA-N 382.531 5.869 10 1 GKCF CCN1/C(=C/C(=C/c2sc3ccccc3[n+]2CC)OC)Sc2ccccc21 5327769 CFJZHCLIRSVYOI-UHFFFAOYSA-N 395.573 5.670 10 1 GKCF CC(C)CCC(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 26841652 SKOMJHZKOAORSB-UHFFFAOYSA-N 383.495 6.506 10 1 GKCF COc1ccc2c(c1)/C(=C\c1c(OC)n(-c3ccccc3)c3ccccc13)C(=O)N2 169310854 CWRNCORQDPTVCV-HMMYKYKNSA-N 396.446 5.140 10 1 GKCF CC(=O)c1ccc2[nH]c(-c3ccc(N=Nc4ccc(N(C)C)cc4)cc3)nc2c1 587196035 PGHMQZOGNLIZOQ-UHFFFAOYSA-N 383.455 5.914 10 1 GKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Cl)c(F)cc3[nH]1)[C@@H]1CC=C[C@@H]21 587276352 KWAOZQWVYNCZHS-CLUVUEOHSA-N 398.825 5.399 10 1 GKCF Oc1c([C@H](Nc2ccccc2)c2ccccc2)ccc2cc3ccccc3nc12 653805013 QLMFMTVYQKSVHQ-XMMPIXPASA-N 376.459 6.295 10 1 GKCF Oc1ccc(Cl)c(Cl)c1[C@@H]1NC2(CC2)Cc2ccc(Br)cc21 961613932 IUQBZIFRWKYRCI-MRXNPFEDSA-N 399.115 5.229 10 1 GKCF COc1cc(-c2ccc3c(c2)/C(=C/c2c[nH]c4c(C)cccc24)C(=O)N3)ccc1O 14956237 KDBCXBKEISUEMH-JAIQZWGSSA-N 396.446 5.350 10 1 GKCF CC[C@]1(c2ccc(Cl)cc2O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587701372 XELJEIFTKBAAQZ-XTZNXHDOSA-N 398.703 5.135 10 1 GKCF Cc1cc(-c2csc(-c3ccccc3[N+](=O)[O-])n2)c(C)n1-c1ccccc1F 587921993 GGTAKOKLTTUULN-UHFFFAOYSA-N 393.443 5.932 10 1 GKCF Oc1cccc(CCCCCCCCCCCCc2cccc(O)c2O)c1O 13377856 NRKYWNVCZRQNDR-UHFFFAOYSA-N 386.532 6.195 10 1 GKCF biogenic,in-vitro Cc1cc2c(/N=N/C(=O)CCc3ccccc3)c(O)[nH]c2cc1Br 84923876 JWZYSSSDMRNIRZ-QURGRASLSA-N 386.249 5.188 10 1 GKCF COc1cccc2c3c(cnc12)CCN[C@H]3c1cc(C)n(-c2ccccc2C)c1C 963040275 VTURSHIMQNJNJI-SANMLTNESA-N 397.522 5.194 10 1 GKCF Cc1nc2ccccn2c1C(=O)/N=N/c1c(O)n(CCC(C)C)c2ccccc12 101914844 RYVUIJCSKMMDTD-OCOZRVBESA-N 389.459 5.273 10 1 GKCF Clc1ccccc1-c1ccccc1C/N=N/c1c(Cl)cncc1Cl 169719153 NETIZYVPKCUQKA-WCWDXBQESA-N 376.674 6.993 10 1 GKCF C[C@@H](/N=N/c1nc2ccccc2s1)c1ccc(-c2cccc(C(N)=O)c2)o1 169730127 KTEDXOHONLKAOJ-LIPRLMJMSA-N 376.441 5.500 10 1 GKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4ccsc4)n3)c2C)c1 587924537 BQSIQOSQNXHVDP-UHFFFAOYSA-N 382.579 6.668 10 1 GKCF CC(C)(C)c1cccc([C@@H]2c3cccc(F)c3CCN2[C@@H]2CCSC2)c1O 962720862 XEQBUDKGUXLKGN-VFNWGFHPSA-N 385.548 5.282 10 1 GKCF CN1C=CC(=Cc2sc3ccccc3[n+]2C)c2cccc(-c3ccccc3)c21 1857614104 PCGVVSIMFQBDSZ-UHFFFAOYSA-N 381.524 5.897 10 1 GKCF CNc1ccc(/N=N/c2nc3ccc(I)cc3s2)cc1 96923149 YIZWGFKYZCIYGI-VHEBQXMUSA-N 394.241 5.358 10 1 GKCF CC[C@H](Oc1ccccc1F)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587156808 ZLTLFRTYRBRBRM-FQEVSTJZSA-N 377.419 5.607 10 1 GKCF Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccccc1F 587504122 MVFNLVAYFQQIBD-XMMPIXPASA-N 389.470 5.819 10 1 GKCF Oc1ccc(C2=NN(c3ccccc3Cl)[C@@H](c3ccccc3Cl)C2)cc1 1857764633 GALAFWAPVLZSMM-OAQYLSRUSA-N 383.278 6.055 10 1 GKCF O=C(c1ccccc1NCc1ccc2cn[nH]c2c1)c1c[nH]c2ccc(F)cc12 40395357 ZFHCSRYZQPISPI-UHFFFAOYSA-N 384.414 5.026 10 1 GKCF CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(-c3ccccc3)c1C)CC2=O 587470989 OCFWYXTXVBZVHU-QHCPKHFHSA-N 375.468 5.459 10 1 GKCF Nc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)cc1 1772587297 JDSCBMMANUKKQA-UHFFFAOYSA-N 388.858 5.027 10 1 GKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4c(F)c(F)c(F)cc4[nH]3)cc2)cc1 587196308 SIXRYCDRBOKCJA-UHFFFAOYSA-N 395.388 6.129 10 1 GKCF Cc1c(CNC2CCCCC2)cc(-c2ccc(F)cc2)n1-c1ccc(Cl)cc1 1857570840 MCXDRSWQNDWHEY-UHFFFAOYSA-N 396.937 6.668 10 1 GKCF CC(C)=CCC/C(C)=C/Cc1c(O)cc(O)c2c(=O)c3ccc(O)c(O)c3oc12 15120683 AUVRDSMLKZAONH-NTUHNPAUSA-N 396.439 5.004 10 1 GKCF CCN(CC)c1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587739888 HRTQOOSDROBXMC-ZUOKHONESA-N 391.328 5.058 10 1 GKCF O=C(O)[C@@H]1CCCN(CCC/C=C/c2ccc(/N=N/c3ccccc3)cc2)C1 1857748445 AOZOTQVJPZKRQD-MTCYPFTFSA-N 377.488 5.692 10 1 GKCF C[C@@H](/N=N/c1cccc(C(=O)O)c1)c1ccc2c(c1)Nc1ccccc1S2 169688604 NJURUZBBXVVUEI-YOJUGNCBSA-N 375.453 6.438 10 1 GKCF CC1CCN(c2ccc([C@]3(C)NCCc4cccc(-c5ccccc5)c43)cc2)CC1 962671200 SUGHHEIUCZATAA-NDEPHWFRSA-N 396.578 5.999 10 1 GKCF Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N=Nc1c(O)[nH]c2ccc(Cl)cc12 617960068 OKMCFJDUUUCZGI-JTQLQIEISA-N 392.242 5.567 10 1 GKCF O=C(/N=N/c1c2[nH]c3ccccc3nc-2c2ccccc12)c1ccc(Cl)cc1 169730529 KFQSKBBDOUZCMR-CYYJNZCTSA-N 384.826 6.398 10 1 GKCF CSc1cccc(-n2c(C)cc(-c3csc(CC4CCCC4)n3)c2C)c1 587924165 JJENAMYCPSEFCW-UHFFFAOYSA-N 382.598 6.672 10 1 GKCF Cc1cc(-c2csc(/C=C(/N)c3ccccc3)n2)c(C)n1-c1ccccc1F 587922013 GQHOLYSWPRSOSY-DEDYPNTBSA-N 389.499 5.814 10 1 GKCF O=C(N=Nc1c(O)[nH]c2ccccc12)c1cc(-c2cccc3ccccc23)[nH]n1 617960314 QWQBZLCFERSFNG-UHFFFAOYSA-N 381.395 5.341 10 1 GKCF CC(C)=CCc1c(O)cc(O)c(CC=C(C)C)c1C=Cc1ccc(O)c(O)c1 2356657460 HFLHSAFJULMJNB-UHFFFAOYSA-N 380.484 5.697 10 1 GKCF O=C(O)CCCc1nc2ccc(Nc3c4ccccc4nc4ccccc34)cc2[nH]1 26842140 RYMXOKJNCFAIJB-UHFFFAOYSA-N 396.450 5.415 10 1 GKCF Oc1ccc2ccccc2c1[C@@H](Nc1nc2ccccc2s1)c1ccccc1 169351612 MOGCLZDSVUKBCR-QHCPKHFHSA-N 382.488 6.357 10 1 GKCF CC(C)COc1ccc([C@H]2c3ccsc3CCN2Cc2cccnc2)c(O)c1 963002333 ZKUUFKIWQWATQA-QHCPKHFHSA-N 394.540 5.031 10 1 GKCF Oc1ccc2cc(-c3ccccc3)oc2c1CN1CCC(N2CCCCC2)CC1 169349604 LVUDKJFJYXMBJI-UHFFFAOYSA-N 390.527 5.256 10 1 GKCF CC(C)=CCCC(C)=CCc1c(O)cc2oc3cc(O)c(O)cc3c(=O)c2c1O 2356693686 NMNQLQLPWBRERF-UHFFFAOYSA-N 396.439 5.004 10 1 GKCF Cc1cc(O)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl 587692241 KASOCHUNEGSFCE-MLCYQJTMSA-N 398.703 5.053 10 1 GKCF C[C@@]1(c2ccc(N3CCCC3)cc2)c2ccsc2CCN1Cc1ccco1 962705265 KWJPNGCSKHYCDF-HSZRJFAPSA-N 378.541 5.263 10 1 GKCF COc1cc(-c2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)ccn1 587921988 FXQSVRDIRNEOIN-UHFFFAOYSA-N 379.460 5.427 10 1 GKCF O=C(O)c1cc(/N=N/Cc2ccc(OCc3ccccc3)cc2)ccc1Cl 169689785 FWORVBGPFSKYSU-WCWDXBQESA-N 380.831 5.901 10 1 GKCF COc1cc2[nH]c(-c3ccc(N=Nc4ccc(N(C)C)cc4)cc3)nc2cc1C 587195246 HDKNIHFWNOQFNV-UHFFFAOYSA-N 385.471 6.028 10 1 GKCF Cc1cc2[nH]c(-c3ccc(N=Nc4ccc(N(C)C)cc4)cc3)nc2cc1Cl 587196597 WJXWFORZNHMLHE-UHFFFAOYSA-N 389.890 6.673 10 1 GKCF Cc1ccn(C[C@@H](C)c2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)n1 587922532 PQIDCWGFLQAZNS-CQSZACIVSA-N 394.519 5.665 10 1 GKCF COc1c(CC=C(C)C)c2c(c3occc13)C(=O)C[C@@H](c1ccc(O)c(O)c1)O2 14819405 POMYWCNEUNRBFJ-IBGZPJMESA-N 394.423 5.068 10 1 GKCF biogenic CSc1cccc(-n2c(C)cc(-c3csc(-c4cccc(F)c4)n3)c2C)c1 587924428 XXPPFTJDKAELFQ-UHFFFAOYSA-N 394.540 6.746 10 1 GKCF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587930264 NSFBCLDSVCKOLW-YADARESESA-N 385.467 5.391 10 1 GKCF CC1=C[C@@H]2C(c3ccccc3)=NC(N=Nc3c(O)[nH]c4ccccc34)=N[C@H]2C=C1 617988252 JNJLVDZRTHSZDF-HKUYNNGSSA-N 381.439 5.317 10 1 GKCF Cc1ccc(NC(=S)N2N=C(c3ccccc3)C[C@@H]2c2ccccc2O)cc1 72170738 YEHFESQCXYMYGB-OAQYLSRUSA-N 387.508 5.249 10 1 GKCF Nc1ccc(Oc2ccc3[nH]c(-c4ccc(-c5nccs5)s4)nc3c2)cc1 587023555 LWTLLSZPCYTGIA-UHFFFAOYSA-N 390.493 5.789 10 1 GKCF COc1cc2c3c(c1)O[C@@H](c1cc(C)n(-c4cccc(Cl)c4)c1C)[C@@H](C2)C3=O 587417312 BXTSXJMNRZJBNM-CVDCTZTESA-N 393.870 5.245 10 1 GKCF Cc1cc(O)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1Cl 587697953 XKEPUBMOJLTGME-DYBLOJMWSA-N 398.703 5.188 10 1 GKCF Cc1cc2c(/N=N\C(=O)[C@H]3C[C@@H]3c3ccccc3)c(O)[nH]c2cc1Br 13124334 VUIXBYVYDKRWKF-BVVOCYOTSA-N 398.260 5.358 10 1 GKCF Cc1ccc(-n2c(-c3ccc(F)cc3)cc(CN3CCSCC3)c2C)cc1 36472080 RQHJQSDSPRRJMR-UHFFFAOYSA-N 380.532 5.449 10 1 GKCF Cc1cc(Cl)ccc1OCC(=O)/N=N/c1c(O)[nH]c2ccc(Cl)cc12 103970459 JACAKGNLNDUXKP-QURGRASLSA-N 378.215 5.178 10 1 GKCF CCCN1CCc2cc(-c3ccc(O)cc3)cc3c2[C@@H]1Cc1ccc(O)c(O)c1-3 43120416 UIDHCUWLPJKWMW-NRFANRHFSA-N 387.479 5.003 10 1 GKCF in-vitro COc1ccc2c(c1)c([C@@H]1CC(=O)c3ccc4c(c3O1)CCCC4)c(C)n2C 587513986 CTAYFJROGAEVJO-QFIPXVFZSA-N 375.468 5.081 10 1 GKCF Cc1cc(Cl)c(C)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O 587691764 HVCLFQQFISQOFH-XYZCENFISA-N 398.703 5.188 10 1 GKCF Nc1ccc(Oc2ccc3nc(-c4cc(F)cc(Br)c4)[nH]c3c2)cc1 587161051 LGDWRKDLZKWONL-UHFFFAOYSA-N 398.235 5.506 10 1 GKCF Cc1cc(C)c(O)c(CN(Cc2ccc(F)cc2)C(=O)Nc2ccccc2)c1 45337767 YFTNIUONYOIXQQ-UHFFFAOYSA-N 378.447 5.382 10 1 GKCF Cc1ccc(-c2cc(CN3CCSCC3)c(C)n2-c2ccc(Cl)cc2)cc1 45497355 BQQBYHLQOGSDIQ-UHFFFAOYSA-N 396.987 5.963 10 1 GKCF COc1cccc2c3c(cnc12)CCN[C@]3(C)c1ccc(-n2c(C)ccc2C)cc1 963060798 XBCFSWXJFKUVKF-AREMUKBSSA-N 397.522 5.060 10 1 GKCF O=C(O)c1ccc(/N=N/Cc2ccc(OC(=O)c3cccc(Cl)c3)cc2)cc1 169688561 MRMFBCNXMLEWRV-WCWDXBQESA-N 394.814 5.541 10 1 GKCF Oc1ccc(Cl)c(Cl)c1[C@H]1NC2(CC2)Cc2ccc(Br)cc21 961613931 IUQBZIFRWKYRCI-INIZCTEOSA-N 399.115 5.229 10 1 GKCF C[C@]1(c2c(O)cccc2Br)NCCc2cc(-c3ccccc3)ccc21 962671989 XMMUCPMZXXFIIS-QFIPXVFZSA-N 394.312 5.231 10 1 GKCF CNc1cc(NC(=O)OC)ccc1Nc1c2ccccc2nc2c(C)cccc12 29343675 JNPJBIXTAKWGRN-UHFFFAOYSA-N 386.455 5.660 10 1 GKCF CCC(=O)N1c2ccccc2N=C2CCCC(O)=C2[C@H]1c1ccc(N(C)C)cc1 102448740 ZWFNHWVZVMQGGU-XMMPIXPASA-N 389.499 5.319 10 1 GKCF C[C@H](/N=N/c1nc2ccccc2s1)c1cccc(-c2cncc(C(=O)O)c2)c1 169730149 OWBRPNVYXLSREW-UJJCNQHWSA-N 388.452 5.901 10 1 GKCF Cc1c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n(C)c2ccccc12 587755324 OTQFQSBHNIUUHO-NSPYISDASA-N 387.296 5.012 10 1 GKCF COc1cc2c(c(O)c1OC/C=C(\C)CC/C=C(\C)CCC=C(C)C)CNC2=O 37538671 PHOZASLNSDMYGR-VZRGJMDUSA-N 399.531 5.442 10 1 GKCF in-vitro CC(=O)N1CCC[C@H](c2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)C1 587922673 RZOVLUZEUGPGNV-KRWDZBQOSA-N 397.519 5.083 10 1 GKCF C[C@H]1C[C@]2(NCCc3cc(-c4ccccc4)ccc32)c2c(O)c(Cl)cc(F)c21 962664425 NYWDHERXOOEPHT-LFPIHBKWSA-N 393.889 5.748 10 1 GKCF CCCN(CCC)Cc1c(O)ccc2oc(-c3ccccc3)c(C(=O)OCC)c12 1772652628 CMRIJSUHYPYVOE-UHFFFAOYSA-N 395.499 5.604 10 1 GKCF COc1cccc(-c2ccc(O)c(CN[C@H](C)c3cccc4ccccc34)c2)n1 12024951 UQKCCVBTLTVZHF-QGZVFWFLSA-N 384.479 5.467 10 1 GKCF CCCN(CCC)CCCNc1c2ccc(OC)cc2nc2c(C)cccc12 40567019 XSYJOZYYSKZPTD-UHFFFAOYSA-N 379.548 5.629 10 1 GKCF Cc1ccc2[nH]c(O)c(N=NC(=O)CCc3ccccc3)c2c1Br 253993175 KERBZOJBZLCDMR-UHFFFAOYSA-N 386.249 5.188 10 1 GKCF CC1=C(O)[C@](C)(CCCCC[C@@H](C)CCCCc2ccc(O)c(O)c2)OC1=O 2356840995 NDMXTVSFATUCSK-MWTRTKDXSA-N 390.520 5.545 10 1 GKCF CCCC/C(=C(F)\C=C\C(C)=C\C(=O)O)c1ccc2c(c1)CCCN2C(C)C 26971210 MOCOJZRGRWDBBQ-IJMANBTFSA-N 385.523 6.306 10 1 GKCF COc1ccc(N=[N+]([O-])c2ccccc2[N+]([O-])=Nc2ccc(OC)cc2)cc1 102906075 JCVUHKHOKPOGGF-UHFFFAOYSA-N 378.388 5.555 10 1 GKCF Cc1cc(Cl)ccc1O[C@H](C)C(=O)N=Nc1c(O)[nH]c2ccc(Cl)cc12 617960069 OKMCFJDUUUCZGI-SNVBAGLBSA-N 392.242 5.567 10 1 GKCF COc1cc2c(c3c1C=C1C3=Cc3ccc(O)c(O)c3C1(C)C)C=CC(C)(C)O2 13373199 MSVFTKIPPCKPJT-UHFFFAOYSA-N 388.463 5.519 10 1 GKCF biogenic COc1cc(C/N=N/c2nc(-c3ccc(C)cc3)c(NC(C)=O)s2)ccc1O 169688594 NDMOELVTXIUNDV-DARPEHSRSA-N 396.472 5.075 10 1 GKCF O=C(O)c1cccc(-c2ccc(C/N=N/c3ncc(-c4ccccc4)s3)o2)c1 169730116 JCOYIOUQCCPSEV-WCWDXBQESA-N 389.436 6.052 10 1 GKCF Cc1ccc([C@H]2CC[C@H](C)CC2)n1-c1cc(-c2ccccc2)sc1C(=O)O 299832389 FQDBJSDYPOIILY-JCNLHEQBSA-N 379.525 6.506 10 1 GKCF Oc1ccccc1CNc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1 82150244 ICQAMXDCJTUNAQ-UHFFFAOYSA-N 376.847 5.345 10 1 GKCF COc1cc(O)c([C@]2(C)NCCc3cc(-c4ccccc4)ccc32)cc1Cl 962659151 DXLFFAWHVXJXNH-HSZRJFAPSA-N 379.887 5.130 10 1 GKCF COc1cc(O)c([C@@]2(C)NCCc3cc(-c4ccccc4)ccc32)cc1Cl 962659154 DXLFFAWHVXJXNH-QHCPKHFHSA-N 379.887 5.130 10 1 GKCF Oc1ccc(-c2ccnc3cc(Cl)ccc23)cc1CNCC1(O)CCCCC1 45320033 KTAJAIMXDIITRC-UHFFFAOYSA-N 396.918 5.046 10 1 GKCF COc1ccccc1-c1cc(CN2CCSCC2)c(C)n1-c1ccc(F)cc1 64448886 YVUHUHRIVABKLM-UHFFFAOYSA-N 396.531 5.149 10 1 GKCF Nc1ccc(Oc2ccc3nc([C@@H]4SCCc5sccc54)[nH]c3c2)cc1 587037097 RUKFFPYZHNGYPL-LJQANCHMSA-N 379.510 5.378 10 1 GKCF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(-c3ccc4ccccc4c3)c1C)O2 587389962 OJPBEKIQLPYNFH-RUZDIDTESA-N 396.490 5.844 10 1 GKCF CCOc1ccc(-c2[nH]c3c(C(=O)O)cccc3c2-c2ccc(Cl)cc2)cc1 587637552 CNBGVLQJNLHBGT-UHFFFAOYSA-N 391.854 6.252 10 1 GKCF COCC1(c2nc(-c3cc(C)n(-c4cccc(SC)c4)c3C)cs2)CCC1 587924351 UDGHGQUZZLLWHS-UHFFFAOYSA-N 398.597 6.008 10 1 GKCF CCc1cc(Nc2ccnc3cc(Cl)ccc23)cc(CN(CC)CC)c1O 28006568 XWCKEKHMPGMFMR-UHFFFAOYSA-N 383.923 5.742 10 1 GKCF CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc3c2CC(C)(C)CC3=O)cc1 753943 KAUIUZBFQQVFIO-UHFFFAOYSA-N 387.479 5.476 10 1 GKCF C[C@@H](/N=N/c1nc2ccccc2s1)c1cccc(-c2cccc(C(=O)O)n2)c1 169730143 FYHVBVFEIYSUTF-YSMKLKLISA-N 388.452 5.901 10 1 GKCF CCC[C@H](Oc1ccc(Nc2c3ccccc3nc3ccccc23)cc1)C(=O)O 26841681 OEIXMQLMVWARBJ-QFIPXVFZSA-N 386.451 5.764 10 1 GKCF CNc1cc(NC(=O)OC)ccc1Nc1c2ccccc2nc2c(F)cccc12 29344111 AEXVOTNCCCXMNQ-UHFFFAOYSA-N 390.418 5.491 10 1 GKCF Nc1ccc(Oc2ccc3nc([C@@H]4C[C@@H]4c4cccc(F)c4F)[nH]c3c2)cc1 587151149 GVMDDDQBEHYDRO-IAGOWNOFSA-N 377.394 5.487 10 1 GKCF COc1ccc2c(c1)c([C@H]1CC(=O)c3ccc4c(c3O1)CCCC4)c(C)n2C 587513985 CTAYFJROGAEVJO-JOCHJYFZSA-N 375.468 5.081 10 1 GKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc(F)cc4)n3)c2C)c1 587924033 ABEPBPSXNZVKHI-UHFFFAOYSA-N 394.540 6.746 10 1 GKCF Cc1cc(O)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl 587692232 KASOCHUNEGSFCE-MGNBDDOMSA-N 398.703 5.053 10 1 GKCF Oc1ccc2ccccc2c1C1=NN(c2ccccc2)[C@@H](c2ccc(Cl)cc2)C1 28528730 PUGPGROGDJLFBE-HSZRJFAPSA-N 398.893 6.555 10 1 GKCF CNc1cc(NC(=O)OC)ccc1Nc1c2ccccc2nc2cc(C)ccc12 29336702 LKNPZDIYKLZUPN-UHFFFAOYSA-N 386.455 5.660 10 1 GKCF COc1ccc([C@H](C)/N=N/c2nc3ccccc3nc2Cc2ccccc2)cc1 169727592 VFJAXWKZXQXZBI-KUVOYMNCSA-N 382.467 6.074 10 1 GKCF Cc1cc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)c(C)n1-c1ccc(F)cc1 587874262 ZQYHYACBRXHHBQ-UHFFFAOYSA-N 391.377 5.030 10 1 GKCF CC1(C)CCc2c(c3ccccc3c3nc4cc(Cl)c(Cl)cc4nc23)O1 2356645212 IZKYUVOOWOWOOM-UHFFFAOYSA-N 383.278 6.347 10 1 GKCF CN(C)C(=O)CCCc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 33867344 BTCFQYRTEZAKLN-UHFFFAOYSA-N 383.495 5.543 10 1 GKCF Cc1cc(-c2csc(C[C@H](C)n3cccn3)n2)c(C)n1-c1ccccc1F 587922032 HBIVJRJPCXBTSZ-AWEZNQCLSA-N 380.492 5.357 10 1 GKCF Cc1c(C(=O)O)cccc1-c1ccc([C@H](C)/N=N/c2nc3ccccc3o2)o1 169730122 GMKJXBYUVBDNTE-LRNBNYQNSA-N 375.384 5.939 10 1 GKCF Cc1ccc([C@H]2C3=C(CC(C)(C)CC3=S)Oc3ccc4ccccc4c32)cc1 103272239 MMZKOKPTSZMSEU-HSZRJFAPSA-N 384.544 7.117 10 1 GKCF CCCN(CCC)c1ccc([C@H]2c3cc(OC)ccc3CCN2C(C)C)cc1 962091027 KNBHKFJRZILRCJ-VWLOTQADSA-N 380.576 5.678 10 1 GKCF O=C(O)C[C@@H]1CCCCN1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1772652546 WHKWBAZUOHKJMP-KRWDZBQOSA-N 394.298 5.406 10 1 GKCF CCN1/C(=C/c2sc3ccccc3[n+]2CC)C=Cc2cc(NC(C)=O)ccc21 5393597 QFKXKUGRUBRGJD-UHFFFAOYSA-O 390.532 5.061 10 1 GKCF Clc1ccc(OCCCn2c3c(c4cc(Cl)ccc42)CCNC3)cc1 1857608617 AYJBMJPQASSFIO-UHFFFAOYSA-N 375.299 5.063 10 1 GKCF CCCCN(CCCC)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1 26579735 JJNWCXZRGFDPSP-UHFFFAOYSA-N 397.566 7.538 10 1 GKCF COc1ccc([C@@H](C)/N=N/c2nc3ccccc3nc2Cc2ccccc2)cc1 169727591 VFJAXWKZXQXZBI-HEMLFMHRSA-N 382.467 6.074 10 1 GKCF CN1C=CC(=Cc2sc3ccccc3[n+]2C)c2ccc(-c3ccccc3)cc21 1857609579 PDJLYACKWUCDBF-UHFFFAOYSA-N 381.524 5.897 10 1 GKCF Oc1ccc([C@H]2CC(c3ccccc3O)=NN2c2cccc(Cl)c2)cc1F 299832793 TUKBHTJIIAMXQX-LJQANCHMSA-N 382.822 5.246 10 1 GKCF Nc1ccc(Oc2ccc3nc(C4CC(F)(c5cccc(F)c5)C4)[nH]c3c2)cc1 587131486 KHPGKSUHJFXCFY-UHFFFAOYSA-N 391.421 5.819 10 1 GKCF Cc1cc(-c2csc(-c3ccc(F)cc3F)n2)c(C)n1-c1ccccc1F 587922080 JOXPBSOYONWLHN-UHFFFAOYSA-N 384.426 6.302 10 1 GKCF Oc1[nH]c2ccccc2c1N=Nc1nc(-c2ccc(Br)cc2)cs1 617960151 LWRSTFFKJJJWLI-UHFFFAOYSA-N 399.273 6.175 10 1 GKCF CCOc1cc(N(CC)CC)ccc1[C@H]1c2cc(OC)ccc2CCN1C(C)C 962096852 ZYWITBXDCWKSHG-VWLOTQADSA-N 396.575 5.296 10 1 GKCF CCc1c(CN2CCSCC2)cc(-c2ccc(C)cc2)n1-c1ccc(F)cc1 45256285 ZDVOERUUFSVSCF-UHFFFAOYSA-N 394.559 5.703 10 1 GKCF Oc1cc(-c2ccccc2)ccc1[C@H]1NCCc2cc(-c3ccccc3)ccc21 962661730 DHQFPJCQEPKKGH-MHZLTWQESA-N 377.487 5.961 10 1 GKCF O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(/N=N\c2c[nH]c3ccccc23)cc1 103187553 VQUBPPPGLJTXRG-IZHYLOQSSA-N 385.383 5.744 10 1 GKCF CSc1cccc(-n2c(C)cc(-c3csc(Cc4ccccc4)n3)c2C)c1 587924325 RZRGYRZJXNAVDM-UHFFFAOYSA-N 390.577 6.530 10 1 GKCF CN(C)c1ccc(/C=C/c2cc3cc(I)ccc3o2)cc1 40950633 OZAJRTJLPJEJPT-WEVVVXLNSA-N 389.236 5.274 10 1 GKCF [N-]=[N+]=NCCCCCCc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587260555 UGGHAMIFZRUROW-UHFFFAOYSA-N 390.207 5.757 10 1 GKCF C[C@@H]1CC[C@]2(C)[C@H](C)C(=CCOC(=O)C=Cc3ccc(O)c(O)c3)CC[C@]12C 2356389588 AFTXHVWTXMMGNO-HZCFWTAGSA-N 384.516 5.453 10 1 GKCF Cc1ccc2ccc([C@@H](Nc3ccccn3)c3ccc(F)cc3F)c(O)c2n1 1772630515 BCUKAKWSCQJREX-NRFANRHFSA-N 377.394 5.124 10 1 GKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4cc5ccccc5cc4[nH]3)cc2)cc1 587196281 RYVSIGCBDQAPED-UHFFFAOYSA-N 391.478 6.865 10 1 GKCF Cc1cc(CN2CCN(C3CCCCC3)CC2)c(C)n1-c1ccc(Cl)cc1 653846296 UOLLOEZCIUMEJL-UHFFFAOYSA-N 385.983 5.198 10 1 GKCF Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3ccccc3)cc2)cc1 66101222 PLMMOAADYPFCPJ-UHFFFAOYSA-N 379.385 5.807 10 1 GKCF Oc1cc2c(cc1O)C1(CCCC1)CC(c1cc(O)c(O)c3c(O)cccc13)=C2 85569202 XFKYBFIJCVPFKC-UHFFFAOYSA-N 390.435 5.124 10 1 GKCF biogenic,in-vitro Nc1nc(-c2ccc(NC(=O)c3ccccc3)cc2)c(/N=N/c2ccccc2)s1 98083106 DKMNHISERSUMCV-CYYJNZCTSA-N 399.479 6.060 10 1 GKCF CSc1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@@H]43)[nH]c2c1 587275255 ATUVOZWPXGYXJI-QEEYODRMSA-N 392.484 5.328 10 1 GKCF Cc1cc(Cl)c(C)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1O 587691555 GCXKRQWRLYQMNI-XLFHBGCDSA-N 398.703 5.188 10 1 GKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3ccccc3c2O)N1 587834562 SFJSISYBYTXSJS-JEOXALJRSA-N 386.264 5.071 10 1 GKCF Cc1ccnc(N[C@@H](c2ccc(F)c(F)c2)c2ccc3cccnc3c2O)c1 198904656 QZBZPUZSOFKWMI-FQEVSTJZSA-N 377.394 5.124 10 3 GKCF [N-]=[N+]=NCCc1c(Cl)nc2ccc(Cl)cc2c1-c1ccccc1Cl 66098488 SWJOXEDNEZTNNO-UHFFFAOYSA-N 377.662 6.715 10 1 GKCF CCCCN(Cc1cc(Cl)cc(Cl)c1O)C(=S)Nc1ccccc1 45335781 HSYMTXUHTDJFRK-UHFFFAOYSA-N 383.344 5.698 10 1 GKCF Cc1ccc(-c2cc(Cl)ccc2OCC(C)C)n1-c1cccc(C(=O)O)c1 40565813 SINRPSOCHGDPTE-UHFFFAOYSA-N 383.875 5.839 10 1 GKCF Cc1cccc2c(C(=O)c3ccccc3NCc3ccc4cn[nH]c4c3)c[nH]c12 40875074 CKLWELKYTJOOFX-UHFFFAOYSA-N 380.451 5.196 10 1 GKCF O=C(O)[C@H]1[C@H]2CC=C[C@@H]2c2cc(Oc3ccccc3)cc3c2N1C[C@@H]1CC=C[C@H]31 148564339 JFRAUHQWVZAEAI-WUUKAAGISA-N 385.463 5.085 10 1 GKCF Cc1cc(N[C@@H](c2ccccc2Cl)c2ccc3cccnc3c2O)ncc1F 202347791 GUYSNDUVUVJUKP-NRFANRHFSA-N 393.849 5.638 10 1 GKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Cl)c(F)cc3[nH]1)[C@H]1CC=C[C@H]21 587276364 KWAOZQWVYNCZHS-ZKTNFTSUSA-N 398.825 5.399 10 1 GKCF Oc1c(Cl)cc(Cl)cc1C/N=N/c1nc(-c2ccc(Cl)cc2)cs1 169722291 OKKUSGYUKTVIFB-LSDHQDQOSA-N 398.702 6.760 10 1 GKCF CSc1ccc2[nH]c(-c3ccc(N=Nc4ccc(N(C)C)cc4)cc3)nc2c1 587195768 MJELDHLIFZMSEV-UHFFFAOYSA-N 387.512 6.433 10 1 GKCF COc1ccccc1-n1c(-c2ccc(F)cc2)cc(CN2CCSCC2)c1C 64453928 CHUPUIZLYHEMLZ-UHFFFAOYSA-N 396.531 5.149 10 1 GKCF CSc1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@@H]43)[nH]c2c1 587275253 ATUVOZWPXGYXJI-AUSJPIAWSA-N 392.484 5.328 10 1 GKCF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-n3c(C)ccc3C)cc1)CC2=O 587471745 TYBSPFKYULXNIF-HSZRJFAPSA-N 375.468 5.459 10 1 GKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(C)(C)C)ccc2O)N1 587823882 XAEPQDAZLKNYEH-JEOXALJRSA-N 392.312 5.215 10 1 GKCF Cc1cc(-c2csc(Cc3nc(O)cs3)n2)c(C)n1-c1ccccc1F 587922830 XMVWEMFSKUWJHD-UHFFFAOYSA-N 385.489 5.110 10 1 GKCF COc1ccc2nc3cc(Cl)ccc3c(NCCCc3ccccc3)c2c1 96915350 LBQBQZYUOMPCML-UHFFFAOYSA-N 376.887 6.095 10 1 GKCF Cc1cc(O)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1Cl 587697956 XKEPUBMOJLTGME-YYSFKGJASA-N 398.703 5.188 10 1 GKCF Cc1csc(Cc2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)n1 587922923 YZZRAMPTUBUYHJ-UHFFFAOYSA-N 383.517 5.712 10 1 GKCF Cc1c(CN2CCSCC2)cc(-c2ccc(F)cc2)n1-c1ccccc1F 38215331 ZQTVWJLXGJLYFQ-UHFFFAOYSA-N 384.495 5.280 10 1 GKCF Nc1ccc(Oc2ccc3nc(-c4cccc(-c5ccccc5F)c4)[nH]c3c2)cc1 587153615 VFDGASBADPUMKR-UHFFFAOYSA-N 395.437 6.411 10 1 GKCF Cc1ccc(C)n1-c1ccccc1NC(=S)Nc1ccc(Cl)c(Cl)c1 653808475 ZCEPUYYLRPTOOI-UHFFFAOYSA-N 390.339 6.210 10 1 GKCF CC(C)=CCC[C@]1(C)C=Cc2c(O)cc(/C=C/c3ccc(O)c(O)c3)cc2O1 14638096 UAIWPLZXOFABMI-DGQXCUQSSA-N 378.468 5.885 10 1 GKCF O=c1c2ccccc2oc2cc(-c3ccc(O)cc3)c(-c3ccc(O)c(O)c3)cc12 64491771 MMNVJWWPZXPSFC-UHFFFAOYSA-N 396.398 5.397 10 1 GKCF Cc1ccnc(N[C@@H](c2ccc(F)cc2)c2cc(Cl)c3cccnc3c2O)c1 96285975 FRRVRVNGAKHMGO-FQEVSTJZSA-N 393.849 5.638 10 1 GKCF CO[C@@H](C)COC1CCC(c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)CC1 587950953 FOXBAWWBTAJFJB-HJOIGYKYSA-N 395.503 5.015 10 1 GKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4c(Cl)ncc(F)c4[nH]3)cc2)cc1 587196357 TUTSYEPZABJFIF-UHFFFAOYSA-N 394.841 5.899 10 1 GKCF CC[C@]1(c2ccc(Cl)cc2O)N[C@H](C)Cc2cc(Br)c(F)cc21 587698391 PXCUSRGEXXKOCU-MLCYQJTMSA-N 398.703 5.135 10 1 GKCF CC(C)CCNc1ccc(C(=O)c2ccccc2)c2c1OC[C@@H](C(C)(C)C)N2 27556782 NPTWUKNBHHFGNT-FQEVSTJZSA-N 380.532 5.595 10 1 GKCF CC1=N[C@H](c2cccc(C)c2)C(O)=C1/C=C1/C(=O)N(c2ccc(C)cc2C)N=C1C 1857584643 JETWDDZOHORUKH-FJWZAKCXSA-N 399.494 5.289 10 1 GKCF C/C(=C\c1cccnc1)c1nc2cc(C)c(C)cc2n1Cc1ccc(Cl)cc1 205191545 MXQTZBCTXYVYLZ-WOJGMQOQSA-N 387.914 6.310 10 1 GKCF Cc1ccc(C(C)C)n1-c1cccc(-c2ccc(OCc3ccccc3)cc2)c1 587937528 MMZFCNGPCBJVLM-UHFFFAOYSA-N 381.519 7.155 10 1 GKCF CCn1c(C)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 587577657 OGUSBMNSCICMTP-RDGATRHJSA-N 399.446 5.378 10 1 GKCF CCOP(=O)(OCC)[C@H](Nc1cccc(F)c1)c1ccc(N(C)C)cc1 1646006 MXXDGBTZXDJCPB-IBGZPJMESA-N 380.400 5.269 10 1 GKCF CCCC(CCC)(c1ccc(OCCN(C)C)c(C)c1)c1ccc(O)c(O)c1 1772604405 XTGBVNKIPPIXPB-UHFFFAOYSA-N 385.548 5.233 10 1 GKCF FC(F)(F)c1cc(/N=N\C2=C3CCCCN3CCC2)cc(C(F)(F)F)c1 40423313 JBCCITJESZIZHD-IZHYLOQSSA-N 377.332 6.299 10 1 GKCF CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCCCC3)cc1C)CC2=O 587478071 ZNEADAMFWYBJNU-HSZRJFAPSA-N 379.500 5.350 10 1 GKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(C)(C)C)ccc2O)N1 587823001 SAAAWXAWAJHCKB-WLRWDXFRSA-N 392.312 5.215 10 1 GKCF O=C(N=Nc1c(O)[nH]c2ccccc12)c1cc(-c2ccc3ccccc3c2)[nH]n1 617960309 LAXPAWZZWXMRAM-UHFFFAOYSA-N 381.395 5.341 10 1 GKCF O=C1c2ccccc2-c2nc3c(c(-c4ccccc4)c21)c(=O)oc1ccccc13 96932378 GZBCWIJZNAWYHP-UHFFFAOYSA-N 375.383 5.220 10 1 GKCF COc1ccc(-c2nc(CNC(=S)SC)cc3c2[nH]c2ccccc23)cc1 474602426 BIJKHQNLTGFAMO-UHFFFAOYSA-N 393.537 5.129 10 1 GKCF C[C@H](/C=C\C/C=C\C/C=C\CCCC(=O)NC1CC1)/C=C\CCCCCN=[N+]=[N-] 1857755398 IPUZYSOVMUVCPW-YJTVTXQSSA-N 398.595 6.947 10 1 GKCF Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(F)cc1 587510759 VYZWQVQVWUZBLI-XMMPIXPASA-N 389.470 5.819 10 1 GKCF Cc1nn(-c2ccccc2)c(C)c1/N=N/c1ccc(-c2nc3ccccc3[nH]2)cc1 1772610119 KKRRBHFKICKRKE-BYYHNAKLSA-N 392.466 6.448 10 1 GKCF Cc1cnc(Sc2nc3cc(Cl)c(Cl)cc3nc2C(F)(F)F)s1 29047918 ZKLJKGNFERVPOC-UHFFFAOYSA-N 396.246 5.872 10 1 GKCF CCc1c(-c2cc(O)c(O)cc2O)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587101297 LRUQPIPAGUWFER-UHFFFAOYSA-N 397.430 5.101 10 1 GKCF Cc1cc(CN2CCN([C@H]3C[C@H]4CC[C@H]3C4)CC2)c(C)n1-c1ccc(Cl)cc1 1857547561 FPGWBJSOQBSDOU-SKPFHBQLSA-N 397.994 5.054 10 1 GKCF CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(C(F)(F)F)ccc1C(F)(F)F 1857774034 QYYHHIFFOGGMIM-GDNBJRDFSA-N 398.306 5.530 10 1 GKCF CCOc1ccc(-n2c(C)cc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c2C)cc1 587388940 HXMYLDWRFABTSD-HSZRJFAPSA-N 390.483 5.090 10 1 GKCF CC(C)c1ccc(O)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587820004 CKJNYGLWYMFCBQ-YUNKPMOVSA-N 392.312 5.215 10 1 GKCF CCN(CC)CCC[C@@H](Nc1c2ccccc2nc2ccccc12)c1ccccc1 29555643 OHJODHGTICQJCF-XMMPIXPASA-N 397.566 6.663 10 1 GKCF COc1ccc(-n2c(-c3ccc(F)cc3)cc(CN3CCSCC3)c2C)cc1 64393098 NOUJAQLQJAWDKX-UHFFFAOYSA-N 396.531 5.149 10 1 GKCF Cc1cc(C2=NN(c3ccccc3)[C@@H](c3c(Cl)cccc3Cl)C2)ccc1O 103281080 DYWAUYKIMALMKL-HXUWFJFHSA-N 397.305 6.363 10 1 GKCF Nc1ccc(Oc2ccc3nc(Cc4ccccc4C(F)(F)F)[nH]c3c2)cc1 587107426 SMANJYZAAXQIMK-UHFFFAOYSA-N 383.373 5.547 10 1 GKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4c(F)c(F)ccc4[nH]3)cc2)cc1 587194788 BDCWRUPCZDOKRR-UHFFFAOYSA-N 377.398 5.990 10 1 GKCF COc1ccc2nc3cc(Cl)ccc3c(Nc3cccc(N(C)C)c3)c2c1 40863549 DNSIRTFBPROHAA-UHFFFAOYSA-N 377.875 5.860 10 1 GKCF CCn1c2c(c3ccccc31)CCN(C(=O)c1ccccc1)[C@@H]2c1ccccc1 1857591177 XGXFMQLSPAGIME-XMMPIXPASA-N 380.491 5.449 10 1 GKCF COc1cc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2cc1Cl 587078491 SGGLUGBUGAMNBX-CRTZDJKQSA-N 386.282 5.705 10 1 GKCF O=C(Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1)C1CCCC1 26843224 RHLCSFHYARSKGW-UHFFFAOYSA-N 381.479 6.260 10 1 GKCF Cc1c(CN2CCSCC2)cc(-c2ccccc2F)n1-c1ccc(F)cc1 36471842 YROLPKQXEBZIOC-UHFFFAOYSA-N 384.495 5.280 10 1 GKCF Oc1ccc(NCc2ccc(Nc3ccnc4cc(Cl)ccc34)cc2O)cc1 103216459 IGEJSWZDZQLNLK-UHFFFAOYSA-N 391.858 5.655 10 1 GKCF C[C@@H]1C(c2ccccc2O)=NN(c2cccc(Cl)c2)[C@H]1c1ccc(O)c(F)c1 299831585 QVZNQKWYDREXEZ-MCMMXHMISA-N 396.849 5.492 10 1 GKCF Cc1cc(-c2csc(-c3ccc(F)c(F)c3)n2)c(C)n1-c1ccccc1F 587922064 IWNFCEBPLZIITH-UHFFFAOYSA-N 384.426 6.302 10 1 GKCF Oc1ccc(C2=NN(c3ccccc3Cl)[C@H](c3ccccc3Cl)C2)cc1 1857764632 GALAFWAPVLZSMM-NRFANRHFSA-N 383.278 6.055 10 1 GKCF COc1cc2c(/C=C3/C(=O)Nc4ccc(Cl)cc43)c(Cl)n(C)c2cc1C 28655908 KAFBXKAMPATOPF-OVCLIPMQSA-N 387.266 5.295 10 1 GKCF Cc1cc(-c2csc(CCc3ccccc3)n2)c(C)n1-c1ccccc1F 587922802 WNRPDXZAUDLSIS-UHFFFAOYSA-N 376.500 6.142 10 1 GKCF O=C(O)CCCCCc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 40690163 ORPWQAYMSLUIMU-UHFFFAOYSA-N 384.479 6.319 10 1 GKCF CONC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 49053539 XDDLNGLJLDVXQT-TYILLQQXSA-N 389.282 5.111 10 1 GKCF CC(C)=CCC/C(C)=C/Cc1ccc2c(c1O)C(=O)c1c(O)cc(C)cc1C2=O 136987389 NNYGRKRBQXGQGY-OVCLIPMQSA-N 390.479 5.417 10 1 GKCF Cc1ccc(C(=O)N[C@@H](c2ccco2)c2cc(Cl)c3cccnc3c2O)cc1 66148919 XXNBRJIXWKVRNA-LJQANCHMSA-N 392.842 5.015 10 1 GKCF CCCCN(Cc1cccc(Br)c1O)C(=S)Nc1ccccc1 45384805 CTCXKWWYXMCWMT-UHFFFAOYSA-N 393.350 5.154 10 1 GKCF O=C(c1ccccc1NCc1ccc2ncccc2c1)c1c[nH]c2cc(F)ccc12 40394413 BQVVOWPCIKMAQS-UHFFFAOYSA-N 395.437 5.698 10 1 GKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(Cl)cc3[nH]1)[C@H]1CC=C[C@H]21 587272374 RFNDKFJFTHAVOH-NJSLBKSFSA-N 380.835 5.259 10 1 GKCF Cc1cc2c(cc1F)[C@H](c1c(C)n(C)c3ccc(OCC(C)C)cc13)NCC2 962378873 UZDVFUSEJNIAPA-XMMPIXPASA-N 380.507 5.204 10 1 GKCF O=c1oc2ccccc2c2oc3c(Cl)cc(O)c(CN4CCCCC4)c3c12 1857557484 NSYGFUOCINADGV-UHFFFAOYSA-N 383.831 5.037 10 1 GKCF Nc1ccc(Oc2ccc3nc(-c4ccccc4-c4ccc(O)cc4)[nH]c3c2)cc1 586899485 YPKHZIYSNQVXAQ-UHFFFAOYSA-N 393.446 5.977 10 1 GKCF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)n(-c3cccc(Cl)c3)c1C)O2 587379109 SPULQMXUNVZVJI-NRFANRHFSA-N 380.875 5.345 10 1 GKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4cccnc4)n3)c2C)c1 587924335 SHJHMPAVMLTBET-UHFFFAOYSA-N 377.538 6.002 10 1 GKCF C[C@H](/N=N/c1cc(-c2ccccc2)nc(-c2ccccc2)n1)c1ccc(O)cc1 169691856 HJERGLXRHXRFAH-KUVOYMNCSA-N 380.451 6.361 10 1 GKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4c(C(C)(C)C)cccc4[nH]3)cc2)cc1 587195779 NACRUQLNPUJJGH-UHFFFAOYSA-N 397.526 7.009 10 1 GKCF Cc1ccc(NC2(c3nc4ccc(Oc5ccc(N)cc5)cc4[nH]3)CCCC2)cc1 587236997 JVTKCTRVFATUOU-UHFFFAOYSA-N 398.510 6.127 10 1 GKCF CC(C)(C)c1cccc([C@@H]2c3cccc(F)c3CCN2[C@H]2CCSC2)c1O 962720858 XEQBUDKGUXLKGN-BTYIYWSLSA-N 385.548 5.282 10 1 GKCF CC(C)c1ccc(O)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587819994 CKJNYGLWYMFCBQ-FKIZINRSSA-N 392.312 5.215 10 1 GKCF CCN(CC)c1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587738583 BJPGLMSACAQICP-RNODOKPDSA-N 391.328 5.058 10 1 GKCF COc1cccc2c3c(cnc12)CCN[C@@]3(C)c1ccc(-n2c(C)ccc2C)cc1 963060800 XBCFSWXJFKUVKF-SANMLTNESA-N 397.522 5.060 10 1 GKCF C[C@@H]1CC[C@@]2(C)[C@H](C)/C(=C\COC(=O)/C=C/c3ccc(O)c(O)c3)CC[C@@]12C 6018601 AFTXHVWTXMMGNO-KWMWQKORSA-N 384.516 5.453 10 1 GKCF biogenic,in-vitro CCOc1ccc(-n2c(C)cc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c2C)cc1 587388941 HXMYLDWRFABTSD-QHCPKHFHSA-N 390.483 5.090 10 1 GKCF CCCCNCc1ccc2n1-c1ccccc1S[C@H]2c1ccc(OC)cc1 27517487 PUWXQZSJEIFLDW-QHCPKHFHSA-N 378.541 5.571 10 1 GKCF CN(C)c1ccc(/C=C/c2sc3ccc(F)cc3[n+]2Cc2ccccc2)cc1 84538240 AVKZWRKVWVBMFG-UHFFFAOYSA-N 389.519 5.613 10 1 GKCF Cc1ccc(SCc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c(C)c1 586965185 SXANGYYXJAYOBA-UHFFFAOYSA-N 375.497 5.847 10 1 GKCF Cc1ccc(SCc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c(C)c1 586964562 HBUILEMFRVZQNK-UHFFFAOYSA-N 398.487 5.247 10 1 GKCF Cc1cc(-c2csc(-c3cc4ccccc4o3)n2)c(C)n1-c1ccccc1F 587922176 KYQOYHVTMCQGTB-UHFFFAOYSA-N 388.467 6.770 10 1 GKCF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587950787 CLMZELYCDCLDIB-REDKUUPNSA-N 379.504 5.984 10 1 GKCF COc1ccc(/C=C2\SC(c3ccc4ccccc4c3)=NC2=O)c2ccccc12 84668725 ZMKAGQGRNNDQML-HAHDFKILSA-N 395.483 6.063 10 1 GKCF FC(F)(F)c1cc(/N=N/C2=C3CCCCN3CCC2)cc(C(F)(F)F)c1 102134428 JBCCITJESZIZHD-OCOZRVBESA-N 377.332 6.299 10 1 GKCF C[C@@H](/N=N/c1nc2ccccc2s1)c1ccc(-c2cccc(C(=O)O)n2)s1 169730113 PFOXRCOPUYBTFT-CXPUHZOYSA-N 394.481 5.963 10 1 GKCF O=C1c2ccccc2C(=O)c2c1ccc1nc(C=C3C4CC5CC(C4)CC3C5)[nH]c21 587968633 VSXSZTMRJIRDTI-UHFFFAOYSA-N 394.474 5.178 10 1 GKCF CC(C)=CCCC(C)=CCc1ccc2c(c1O)C(=O)c1c(O)cc(C)cc1C2=O 2356418568 NNYGRKRBQXGQGY-UHFFFAOYSA-N 390.479 5.417 10 1 GKCF CCN1/C(=C/c2ccc3ccccc3[n+]2CC)Sc2sc3ccccc3c21 4713706 IMLLIMZTNXZWNN-UHFFFAOYSA-N 389.569 6.293 10 1 GKCF C[C@H](/N=N/c1ccc(C(=O)O)cc1)c1ccc2c(c1)Nc1ccccc1S2 169688610 FVPATABDPCILPY-LRNBNYQNSA-N 375.453 6.438 10 1 GKCF Cc1c(Cl)ccc2[nH]c(-c3ccc(N=Nc4ccc(N(C)C)cc4)cc3)nc12 587196738 XZMUCCYPWVQBEV-UHFFFAOYSA-N 389.890 6.673 10 1 GKCF COP(=O)(Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1)OC 26002031 ZBXGOHXTOZVTDQ-UHFFFAOYSA-N 393.383 5.944 10 1 GKCF CCCCNc1ccc([N+](=O)[O-])c(Nc2ccccc2C(=O)c2ccccc2)c1 64516591 KKZHXWKOOXGUKG-UHFFFAOYSA-N 389.455 5.781 10 1 GKCF Cc1cc2c(n1-c1cc(OC(C)C)c(Cl)cc1Cl)CC(C)(C)CC2=O 587943337 WRFVGFIAMNBPJS-UHFFFAOYSA-N 380.315 6.035 10 1 GKCF Cc1cc2c(n1-c1ccc(Br)cc1OCc1ccccc1)CCCC2 587942063 YYZOKIOUPRONHA-UHFFFAOYSA-N 396.328 6.006 10 1 GKCF CC(=O)c1cccc(N=Nc2c(-c3ccccc3)[nH]n(-c3ccccc3)c2=O)c1 299849354 KDZBUAAWPAKLDK-UHFFFAOYSA-N 382.423 5.451 10 1 GKCF Nc1ccc(Oc2ccc3nc(-c4cnc(Cc5ccccc5)s4)[nH]c3c2)cc1 587021716 ODQXYGIKIHPXCL-UHFFFAOYSA-N 398.491 5.652 10 1 GKCF O=c1oc2ccccc2cc1-c1csc(/N=N/Cc2ccc([N+](=O)[O-])cc2)n1 169693511 LKSJZPGCWMWTIG-LSDHQDQOSA-N 392.396 5.109 10 1 GKCF C[C@]1(c2cc3ccccc3cc2O)c2cccc(F)c2CCN1[C@H]1CCSC1 962696466 FLZKXSFDUXRAGO-MHECFPHRSA-N 393.527 5.312 10 1 GKCF CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(-c3cccc(C)c3)c1C)CC2=O 587470797 LZNYJEZQEDUAEL-DEOSSOPVSA-N 389.495 5.767 10 1 GKCF Oc1cc(-c2ccccc2)ccc1[C@@H]1NCCc2cc(-c3ccccc3)ccc21 962661712 DHQFPJCQEPKKGH-HHHXNRCGSA-N 377.487 5.961 10 1 GKCF Cc1ccc(-c2cn(-c3ccc(C)cc3)c3c2C(=O)c2ccccc2C3=O)cc1 1857633662 QZBUSWMHZPNLBD-UHFFFAOYSA-N 377.443 5.537 10 1 GKCF S=C1CCCC2=C1[C@@H](c1cccc(Cl)c1)c1c(ccc3ccccc13)O2 103296355 HELXNPZFIJQRMB-NRFANRHFSA-N 376.908 6.825 10 1 GKCF CC(C)Oc1cc2nc(CCCCCCN=[N+]=[N-])[nH]c2cc1Br 587260583 VBLFFYAENPIUOG-UHFFFAOYSA-N 380.290 5.526 10 1 GKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C(C)(C)C)cc2O)N1 587822175 LQRHTAAMJFDPSJ-NSPYISDASA-N 392.312 5.215 10 1 GKCF Cc1cc(C=C[C@H]2C=Cc3cc(N(C)C)ccc3N2C)c(C)n1-c1ccccc1 2356866927 VPKCTQVIBYHCBP-QHCPKHFHSA-N 383.539 5.705 10 1 GKCF CCCCCC[C@@]1(C)NC(c2ccc3c(c2)OCO3)=C[C@@H](c2ccccc2O)N1 2934938 CJMXYIBMAQBFBJ-RDPSFJRHSA-N 394.515 5.083 10 1 GKCF CCc1cc(Nc2ccnc3cc(Cl)ccc23)cc(CNC(C)(C)C)c1O 26656778 RQAYXURWWWXTMR-UHFFFAOYSA-N 383.923 5.788 10 1 GKCF CC/C(=C/c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)c1ccc(C)cc1 587965514 ATOMRKORLDVAOO-PEZBUJJGSA-N 392.458 5.597 10 1 GKCF O=C(O)[C@H]1[C@@H]2CC=C[C@@H]2c2cc(Oc3ccccc3)cc3c2N1C[C@H]1CC=C[C@@H]31 136619674 JFRAUHQWVZAEAI-VDLZSSOTSA-N 385.463 5.085 10 1 GKCF Oc1cc(Cl)cc(Cl)c1[C@H]1c2ccsc2CCN1Cc1cccnc1 963009360 MFRJUPUOWOEVLE-LJQANCHMSA-N 391.323 5.303 10 1 GKCF CC(=O)N1N=C(c2ccc3ccccc3c2O)C[C@@H]1c1ccc(Cl)cc1Cl 5855434 GCCHRPNOUMSBKA-HXUWFJFHSA-N 399.277 5.550 10 1 GKCF O=C1CCCN1[C@@H](c1ccc(Br)cc1)c1c(O)ccc2ccccc12 1772607720 FQNBLDHXWAVPLO-NRFANRHFSA-N 396.284 5.020 10 1 GKCF Cc1cc(O)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1Cl 587697954 XKEPUBMOJLTGME-LZVRBXCZSA-N 398.703 5.188 10 1 GKCF CCN(CC)c1ccc(OC)c2nc(-c3c(OC)cc(C)cc3OC)c(C)cc12 95574888 AWUIPMWQBCSXND-UHFFFAOYSA-N 394.515 5.391 10 1 GKCF Oc1ccc([C@@H]2CC(c3ccccc3O)=NN2c2cccc(Cl)c2)cc1F 299832792 TUKBHTJIIAMXQX-IBGZPJMESA-N 382.822 5.246 10 1 GKCF Cc1cc(/C=C/[C@H]2CCc3cc(N(C)C)ccc3N2C)c(C)n1-c1ccccc1 115173907 GVGKWFMHKMRTID-BWSGXRDBSA-N 385.555 5.625 10 1 GKCF CC(C)(C)[C@@H]1CCc2c(cc(-c3ccccc3)n2-c2ccc(O)c(C(=O)O)c2)C1 39194393 OZQKJEXMVUFKLB-GOSISDBHSA-N 389.495 5.699 10 1 GKCF Cc1cc(/C=C/[C@@H]2CCc3cc(N(C)C)ccc3N2C)c(C)n1-c1ccccc1 115173904 GVGKWFMHKMRTID-ABSORMQESA-N 385.555 5.625 10 1 GKCF O=C(O)c1cccc(/N=N/CC2=C(Cl)c3cc(Cl)ccc3SC2)c1 169688585 XABMJKJUKDTIRW-QZQOTICOSA-N 379.268 5.878 10 1 GKCF Cc1c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2n1C 587758872 YNUUMQWTTAZCCG-PRWKNARSSA-N 387.296 5.012 10 1 GKCF CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccc(Cl)cc23)cc1 5138671 JKZLMSQBCKGMGW-UHFFFAOYSA-N 397.887 5.157 10 1 GKCF Oc1ccc(C2=NN(c3ccccc3)[C@@H](c3cccc(Br)c3)C2)cc1 28528666 ISNYUVPFDOQLFC-OAQYLSRUSA-N 393.284 5.510 10 1 GKCF Cc1cc(C(C)(C)C)ccc1OCC(=O)/N=N/c1c(O)[nH]c2ccc(F)cc12 103969885 FFLQXKICUNIYLW-OCOZRVBESA-N 383.423 5.308 10 1 GKCF [N-]=[N+]=NCCCCCCc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587260315 QYAQMNHDBROSTC-UHFFFAOYSA-N 390.207 5.757 10 1 GKCF Cc1nc(Cc2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)cs1 587922073 JGMWFNCPSYYIHG-UHFFFAOYSA-N 383.517 5.712 10 1 GKCF Cc1cc(Nc2ccc(/N=N\c3ccccc3)cc2)c2c(ccc3nc[nH]c32)n1 169322931 LUTOZTJDQBSORE-ZIADKAODSA-N 378.439 6.579 10 1 GKCF CN(CCC=C1c2ccccc2CCc2ccccc21)[C@H]1CCCC=C1C(=O)O 299865358 NNBCORYWLLFRNN-VWLOTQADSA-N 387.523 5.102 10 1 GKCF Oc1cc2c(c(-c3ccc4ccccc4c3)c1O)CCNC[C@@H]2c1ccccc1 40943043 IYCKJBWHPUVVIA-HSZRJFAPSA-N 381.475 5.196 10 1 GKCF Nc1ccc(Oc2ccc3nc(Cc4cccc(-c5ccccc5)c4)[nH]c3c2)cc1 587960336 AOYZNJZHCXMDOF-UHFFFAOYSA-N 391.474 6.195 10 1 GKCF CCOc1cccc([C@@H]2Nc3ccccc3N=C3CC(C)(C)CC(O)=C32)c1O 103938782 SWVFJHVMSLIEIQ-NRFANRHFSA-N 378.472 5.662 10 1 GKCF O=C1OC(c2ccc3ccccc3c2)=C/C1=C\c1cc2ccccc2nc1Cl 1857619282 BFQQUCVHYMGGSH-DEDYPNTBSA-N 383.834 6.023 10 1 GKCF Cc1ccc(NC(=S)N2N=C(c3ccc(O)cc3)C[C@@H]2c2cccs2)cc1 45374354 BQOGGWQWGYBSDX-LJQANCHMSA-N 393.537 5.310 10 1 GKCF CCOc1ccc(OCC)c(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c1 587778456 NCXFLIPHHCMKHK-UHFFFAOYSA-N 389.455 5.402 10 1 GKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(C(C)(C)C)c2O)N1 587835482 XKBSSKVEENPEDB-ADLMAVQZSA-N 392.312 5.215 10 1 GKCF Cc1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1/N=N/N(C)C 18085633 QUPLBDXPQOMHBZ-OCEACIFDSA-N 386.499 5.398 10 1 GKCF Cc1cc(-c2csc(-c3cccc(Cl)c3)n2)c(C)n1-c1ccccc1F 587921839 BXIZEFUUBLGAQA-UHFFFAOYSA-N 382.891 6.677 10 1 GKCF O=C(O)c1cccc2c(-c3ccc(N4CCOCC4)cc3)c(-c3ccccc3)[nH]c12 587638966 LKCASYGGEFQLCC-UHFFFAOYSA-N 398.462 5.037 10 1 GKCF Clc1ccc(C[n+]2cccc(Cn3c4c(c5ccccc53)CCCC4)c2)cc1 1857538182 KLSHLGSCISNCAX-UHFFFAOYSA-N 387.934 5.558 10 1 GKCF Nc1ccc(Oc2ccc3nc(Cc4ccccc4-c4ccccc4)[nH]c3c2)cc1 587960227 ZCFGYOPRBFKZFT-UHFFFAOYSA-N 391.474 6.195 10 1 GKCF C[C@@H](CCCN1[C@@H](C)CCC[C@H]1C)Nc1c2ccccc2nc2ccccc12 29551772 OWDBBJZADFLULE-SLFFLAALSA-N 375.560 6.232 10 1 GKCF Cc1ccc([C@@H](Nc2nc3ccccc3s2)c2c(O)ccc3ccccc23)cc1 169351622 GFKBBLGDYSQAQR-XMMPIXPASA-N 396.515 6.665 10 1 GKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(O)ccc3ccccc23)N1 587830959 GOHSSDDWFKSMRG-YBTHPKLGSA-N 386.264 5.071 10 1 GKCF Cc1ccc(OCc2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)cc1 587922255 MNUGJMWOJBIRNI-UHFFFAOYSA-N 392.499 6.244 10 1 GKCF COc1ccc([C@H]2CC(c3ccc(O)c(C)c3)=NN2c2ccccc2)cc1OC 103285111 FEXDPVHGPCASDW-OAQYLSRUSA-N 388.467 5.074 10 1 GKCF Cc1c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc2n1CC(C)C 587514116 FNIZSCYOSBUKMJ-DEOSSOPVSA-N 387.523 6.191 10 1 GKCF Oc1c([C@H](Nc2ccccn2)c2ccc(F)cc2F)cc(Cl)c2cccnc12 1772656497 DXWNVCUVNTUYTI-LJQANCHMSA-N 397.812 5.469 10 1 GKCF CN(C)c1ccc(CNCC2(c3ccnc(-c4ccc(Cl)cc4)c3)CC2)cc1 1857607455 QMJRZNJMAZJZIO-UHFFFAOYSA-N 391.946 5.289 10 1 GKCF CCCCCC[C@]1(C)NC(c2ccc3c(c2)OCO3)=C[C@H](c2ccccc2O)N1 2934933 CJMXYIBMAQBFBJ-HYBUGGRVSA-N 394.515 5.083 10 1 GKCF O=C1CCCN1[C@H](c1ccccc1Br)c1c(O)ccc2ccccc12 1772643300 MMJJSWVBEWYDCD-OAQYLSRUSA-N 396.284 5.020 10 1 GKCF C[C@H](Oc1ccc(F)c(F)c1)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587151886 VGIXCJUNCPJHJK-LBPRGKRZSA-N 381.382 5.356 10 1 GKCF O=C(Nc1ccc(Cl)cc1)Nc1ccc(/C=C/c2ccc(O)c(O)c2)cc1 87722564 XOLYWIOTKQXHGV-OWOJBTEDSA-N 380.831 5.566 10 1 GKCF CCN(CC)c1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587738584 BJPGLMSACAQICP-XCLFUZPHSA-N 391.328 5.058 10 1 GKCF Cc1c(C)c(N2CCN(c3ccc(Cl)cc3)CC2)c(C)c2c1OC(C)(C)C2 114331499 VJKGWYVOVRDSQE-UHFFFAOYSA-N 384.951 5.305 10 1 GKCF Cc1ccc(NC(=O)c2ccc(/N=N/Cc3cccc(O)c3)c([N+](=O)[O-])c2)cc1 169690278 HQOTXHCVTQOIJF-ZNTNEXAZSA-N 390.399 5.145 10 1 GKCF CCCCCc1ccc(-c2ccc(COC(=O)c3cccc(O)c3O)cc2)cc1 1857561346 XJJYWOUSOYRNKU-UHFFFAOYSA-N 390.479 5.855 10 1 GKCF CC1=C[C@@H]2C(c3ccccc3)=NC(/N=N/c3c(O)[nH]c4ccccc34)=N[C@@H]2C=C1 6655052 JNJLVDZRTHSZDF-TZUUUMNCSA-N 381.439 5.317 10 1 GKCF O=C1N=C(c2ccc(Cl)cc2)S/C1=C\c1ccc(Oc2ccccc2)cc1 84669956 VJRCUCISRNRACK-ZHZULCJRSA-N 391.879 6.193 10 1 GKCF Cn1c2c(c3ccccc31)CCc1c-2nc2cccc3c2c1-c1ccccc1C3=O 587104236 FOAVXIGRYUBLPC-UHFFFAOYSA-N 386.454 5.704 10 1 GKCF [N-]=[N+]=NCCCCCCc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587259989 LLERUAGWFXCWHZ-UHFFFAOYSA-N 379.308 6.014 10 1 GKCF CC1CCN([C@H](c2cccc3ccccc23)c2c(O)ccc3ccccc23)CC1 653713128 BLPBUVXPBXAEDU-HHHXNRCGSA-N 381.519 6.520 10 1 GKCF CCCOc1ccc(N2CC(Oc3ccc([C@H](C)CC(=O)C4CC4)cc3)C2)cc1 96172867 NHPAQYBSWOGCBE-GOSISDBHSA-N 393.527 5.216 10 1 GKCF Cc1ccc2[nH]c(O)c(N=NC(=O)[C@@H]3C[C@@H]3c3ccccc3)c2c1Br 253916108 YOPPNVGYQQWBPH-CHWSQXEVSA-N 398.260 5.358 10 1 GKCF Oc1[nH]c2ccccc2c1/N=N/c1nc(-c2ccc(Br)cc2)cs1 100708448 LWRSTFFKJJJWLI-QURGRASLSA-N 399.273 6.175 10 1 GKCF Cc1cc(Cl)c(C)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1O 587691763 HVCLFQQFISQOFH-XLFHBGCDSA-N 398.703 5.188 10 1 GKCF Cc1ccnc(N[C@H](c2cccc(Cl)c2F)c2ccc3cccnc3c2O)c1 198904387 ZRFIFWGGZUCYKT-OAQYLSRUSA-N 393.849 5.638 10 3 GKCF C[C@H]1CN(c2ccc([C@@H]3NCCc4cccc(-c5ccccc5)c43)cc2)C[C@@H](C)O1 962666206 MNCRHONFVIGGBN-VKIDHGPPSA-N 398.550 5.202 10 1 GKCF COc1cccc2c(-c3ccc4c(c3O)[C@@H](C)N(C)[C@@H](C)C4)c(C)cc(OC)c12 257798505 ZSYADESMHZOJRK-JKSUJKDBSA-N 391.511 5.475 10 1 GKCF CC(C)=CCC/C(C)=C/Cc1c(O)ccc2c(=O)c3ccc(O)c(O)c3oc12 95913744 IZCZDNUWRCMXGX-VGOFMYFVSA-N 380.440 5.298 10 1 GKCF biogenic,in-vitro Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc4ccccc4cc3[nH]1)[C@H]1CC=C[C@H]21 587275259 AVIQGENEVMIRHT-BSRJHKFKSA-N 396.450 5.759 10 1 GKCF Cc1cc(Cl)c(C)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1O 587691762 HVCLFQQFISQOFH-VVVCHXIZSA-N 398.703 5.188 10 1 GKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(C(C)(C)C)c2O)N1 587833848 PNHGLVSWWJOHGK-VOJFVSQTSA-N 392.312 5.215 10 1 GKCF CC(C)=CCCC(C)=CCc1c(O)ccc2c(=O)c3ccc(O)c(O)c3oc12 2356369822 IZCZDNUWRCMXGX-UHFFFAOYSA-N 380.440 5.298 10 1 GKCF [N-]=[N+]=NCCCCCCc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587260690 ZCKTWIMMPXLINM-UHFFFAOYSA-N 376.489 6.253 10 1 GKCF Cc1cccnc1-n1c(C)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587511497 GYVSZFWUJXRTND-QHCPKHFHSA-N 386.495 5.383 10 1 GKCF CN(C)c1cccc(NC(=O)c2cccc3c(-c4ccc(F)c(F)c4)coc23)c1 61928846 BEJSQPHFFYVDDI-UHFFFAOYSA-N 392.405 5.696 10 3 GKCF CCOc1ccc(-n2c(C)cc(C(=O)CSCc3cccc(C)c3)c2C)cc1 208400542 VLYGRDKCVGSADG-UHFFFAOYSA-N 393.552 5.917 10 1 GKCF O=C(/N=N/c1c(O)[nH]c2ccccc12)c1cc(-c2cccc3ccccc23)n[nH]1 5596037 QWQBZLCFERSFNG-CYYJNZCTSA-N 381.395 5.341 10 1 GKCF Fc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2 13151539 PATGJBRXGOWEMN-ZKTNFTSUSA-N 388.236 5.143 10 1 GKCF CN1CCC(=C2c3cc(SC(F)(F)F)ccc3CCn3cccc32)CC1 28086308 FIYYHZQEJYUHEB-UHFFFAOYSA-N 378.463 5.184 10 1 GKCF Cc1nc(-c2c[nH]cc2-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cs1 587020462 BDGRMKRQHSNXML-UHFFFAOYSA-N 387.468 5.364 10 1 GKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4ncnc(Cl)c4[nH]3)cc2)cc1 587196046 PKUPAWVXMWHKAU-UHFFFAOYSA-N 377.839 5.155 10 1 GKCF COc1ccc(CCN(C)CCC=C2c3ccccc3CCc3ccccc32)cc1 1857747527 QKVNICFWENURDR-UHFFFAOYSA-N 397.562 5.790 10 1 GKCF COc1ccc(N2CCN3C[C@@H]2CC[C@@H]3C(c2ccccc2)c2ccccc2)cc1 28462016 RMIUMOINQIRNDK-AZGAKELHSA-N 398.550 5.180 10 1 GKCF COc1cc(/C=C/c2ccc(NCc3cc(Cl)ccc3O)cc2)cc(OC)c1 96928147 ORUNAKWLNYPXPX-ONEGZZNKSA-N 395.886 5.845 10 1 GKCF C[C@H](SCc1ccccc1)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 586961989 AAWNGNUJWYLXLD-HNNXBMFYSA-N 375.497 5.932 10 1 GKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C(C)(C)C)cc2O)N1 587822177 LQRHTAAMJFDPSJ-WLRWDXFRSA-N 392.312 5.215 10 1 GKCF Oc1c(Br)cc2oc3c(c2c1CNCc1ccccc1)CCCC3 25329649 JWWRXYGDPUKNMF-UHFFFAOYSA-N 386.289 5.070 10 3 GKCF Cc1ccc(-n2c(C)cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2C)c(C)c1 587512154 LLBFLDRFHWIGPA-AREMUKBSSA-N 399.534 6.296 10 1 GKCF C[C@H]1C(c2ccccc2O)=NN(c2cccc(Cl)c2)[C@@H]1c1ccc(O)c(F)c1 299831590 QVZNQKWYDREXEZ-XMHCIUCPSA-N 396.849 5.492 10 1 GKCF COc1cccc(-c2cc(-c3ccc(O)c(O)c3)nc3c2oc2ccccc23)c1 587366275 NLLMLQOXTUWZMP-UHFFFAOYSA-N 383.403 5.735 10 1 GKCF Oc1ccc(C2=NN(c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3)C2)cc1 1857655577 GNAAZOKKHBASEJ-NRFANRHFSA-N 383.278 6.055 10 1 GKCF Cc1c([C@@H]2NCCc3c(Cl)cc(Cl)cc32)c2ccccc2n1CC(C)C 963103750 GOMNABXELXDUBC-JOCHJYFZSA-N 387.354 6.148 10 1 GKCF COc1ccc(-c2cc(CN3CCSCC3)c(C)n2-c2ccc(C)cc2)cc1 64390664 AICSLUUGLAWFSE-UHFFFAOYSA-N 392.568 5.319 10 1 GKCF CC(C)(C)c1ccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2c1 587077802 AAQLZPLWCMILON-MRUHUIDDSA-N 377.919 6.340 10 1 GKCF Oc1ccc(CCCc2ccc(C(F)(F)F)cc2)cc1CN1CCCCC1 473109224 RDWDNSHIGDOLAC-UHFFFAOYSA-N 377.450 5.572 10 1 GKCF O=C(c1ccccc1NCc1ccc2cn[nH]c2c1)c1c[nH]c2cc(F)ccc12 40893149 AWUNNFGBNUISKG-UHFFFAOYSA-N 384.414 5.026 10 1 GKCF O=c1oc2ccccc2cc1-c1csc(/N=N/Cc2ccc(Cl)cc2)n1 169693506 CIWWJRAZAIHSOW-XTQSDGFTSA-N 381.844 5.854 10 1 GKCF FC(F)(F)c1[nH]nc(-c2ccc(Cl)cc2)c1/N=N/c1ccc(Cl)cc1 169724827 JUBHQKJYIACFSX-ZNTNEXAZSA-N 385.176 6.818 10 1 GKCF Nc1[nH]c(/N=N/c2nc(-c3ccc(Br)cc3)cs2)c2ccccc12 101641678 VODJZGTWHHSHOF-GHVJWSGMSA-N 398.289 6.052 10 1 GKCF CC(C)N(Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O)C(C)C 103203197 WUBZYAUVTNOYSC-UHFFFAOYSA-N 383.923 5.956 10 1 GKCF CCN(CC)c1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587739885 HRTQOOSDROBXMC-RBZFPXEDSA-N 391.328 5.058 10 1 GKCF O=C(O)[C@H]1CCCN(CCCC=Cc2cccc(N=Nc3ccccc3)c2)C1 1857636607 YIZRPWOPJBMTNA-FQEVSTJZSA-N 377.488 5.692 10 1 GKCF Oc1ccccc1C1=NN(C(=S)Nc2ccccc2)[C@@H](c2cccs2)C1 40394206 JRFIHXAPEJPSHG-QGZVFWFLSA-N 379.510 5.002 10 1 GKCF CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1cc(Cl)cc(Cl)c1O 95559724 QZIRALZJVHROSH-MRXNPFEDSA-N 383.662 5.050 10 1 GKCF CN(CCC=C1c2ccccc2CCc2ccccc21)[C@H]1CCCC[C@@H]1C(=O)O 299864773 MTSIDGAVICKWLM-DQEYMECFSA-N 389.539 5.182 10 1 GKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(O)ccc3ccccc23)N1 587830957 GOHSSDDWFKSMRG-GIPWTMENSA-N 386.264 5.071 10 1 GKCF C[C@H](/N=N/c1nc2ccccc2s1)c1ccc(-c2ccc(N)c(C(=O)O)c2)o1 169730151 SJDQAYZZVOQWIB-LQYYBXHWSA-N 392.440 5.682 10 1 GKCF CCCCN1/C(=C/C=C/C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 211038863 KNEKLIVONBEAAO-UHFFFAOYSA-N 399.602 6.731 10 1 GKCF CN1c2ccc(Cl)cc2[C@@]2(C)c3c[nH]cc3-c3c([nH]c4ccc(Cl)cc34)[C@@H]12 221770275 LDQFIYNIQYYGSV-YADHBBJMSA-N 394.305 6.280 10 1 GKCF CC1=C[C@H]2C(c3ccccc3)=NC(N=Nc3c(O)[nH]c4ccccc34)=N[C@H]2C=C1 617988254 JNJLVDZRTHSZDF-MJGOQNOKSA-N 381.439 5.317 10 1 GKCF O=C(O)c1cc2c3c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N3C[C@H]1CC=C[C@H]21 4126726 AZRBPQNKAPCMOS-MSBWEVJISA-N 387.454 5.418 10 1 GKCF CCN(CC)CCC[C@@H](C)Nc1c2ccc(OC)cc2nc2ccc(Cl)cc12 5649816 BISXMOLWCVLZKE-MRXNPFEDSA-N 399.966 5.972 10 1 GKCF CCOC(=O)CCc1ccc(-c2ccc(OC)cc2)n1-c1ccc(C)cc1C 84604065 HKOGXZZYXBMODZ-UHFFFAOYSA-N 377.484 5.265 10 1 GKCF CCCc1c(O)ccc2c1O[C@H](c1ccc(-n3c(C)ccc3C)cc1)CC2=O 587471746 TYBSPFKYULXNIF-QHCPKHFHSA-N 375.468 5.459 10 1 GKCF Cc1c([C@H]2c3c(F)cccc3C[C@H]3CCCN23)c2cc(OC(C)C)ccc2n1C 963097474 FLIAJGACJSGLAK-CJAUYULYSA-N 392.518 5.523 10 1 GKCF Oc1cc2c(c(Cl)c1O)CCN(Cc1cccs1)C[C@H]2c1ccccc1 27182814 ORXQGFLOEUYCGK-SFHVURJKSA-N 385.916 5.003 10 1 GKCF COc1ccc(C(=O)/N=N/c2c3ccccc3n3c(O)c4ccccc4nc23)cc1 103978001 DKWWQDWLUIPUBS-OCEACIFDSA-N 396.406 5.279 10 1 GKCF Cc1cc2c(cc1F)[C@@H](c1c(C)n(C)c3ccc(OCC(C)C)cc13)NCC2 962378871 UZDVFUSEJNIAPA-DEOSSOPVSA-N 380.507 5.204 10 1 GKCF CO[P@@](C)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 100770125 IZHBEGPLKDYMFZ-HHHXNRCGSA-N 377.384 6.013 10 1 GKCF Cc1ccc2[nH]c(O)c(N=NC(=O)[C@H]3C[C@@H]3c3ccccc3)c2c1Br 253916110 YOPPNVGYQQWBPH-OLZOCXBDSA-N 398.260 5.358 10 1 GKCF Cc1ccc([C@H](Nc2ccc(C(=O)O)cc2)c2ccc3cccnc3c2O)cc1 653798421 PGGWEWHHESOWBG-NRFANRHFSA-N 384.435 5.149 10 1 GKCF COP(=O)(Cc1ccc(Nc2c3ccccc3nc3ccccc23)cc1)OC 28245831 IEWZMJYSZAYOML-UHFFFAOYSA-N 392.395 6.118 10 1 GKCF Cc1ccc2[nH]c(O)c(/N=N/C(=O)[C@H]3C[C@@H]3c3ccccc3)c2c1Br 100645239 YOPPNVGYQQWBPH-VVVPOWLISA-N 398.260 5.358 10 1 GKCF Cc1[nH]n(-c2nc3ccc(Cl)cc3s2)c(=O)c1/N=N/c1ccc(F)cc1 169330586 GHPIUSCFKVLYKU-QURGRASLSA-N 387.827 5.292 10 1 GKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4cnn(C)c4)n3)c2C)c1 587924111 GAKYQZNROOVTPI-UHFFFAOYSA-N 380.542 5.340 10 1 GKCF O=C(O)c1cccc2c(-c3ccccc3)c(-c3ccc(Br)cc3)[nH]c12 587638065 IQFWRTZGOZOWJK-UHFFFAOYSA-N 392.252 5.963 10 1 GKCF CN(C)c1c(Cl)cc(/C=C/c2ccnc3ccccc23)cc1Br 36381164 SOSAFFCQVMEXEM-BQYQJAHWSA-N 387.708 5.887 10 1 GKCF O=c1c2ccccc2oc2cc(-c3ccc(O)c(O)c3)c(-c3ccccc3)cc12 64499025 ASHQUWNHQMROTJ-UHFFFAOYSA-N 380.399 5.691 10 1 GKCF Cc1cc(-c2csc(C[C@@H](C)n3cccn3)n2)c(C)n1-c1ccccc1F 587922033 HBIVJRJPCXBTSZ-CQSZACIVSA-N 380.492 5.357 10 1 GKCF CC1=C[C@@H]2C(c3ccccc3)=NC(N=Nc3c(O)[nH]c4ccccc34)=N[C@@H]2C=C1 617988255 JNJLVDZRTHSZDF-PKOBYXMFSA-N 381.439 5.317 10 1 GKCF Cc1c(-c2ccc(O)c(O)c2)n(CCCOc2ccccc2)c2ccc(O)cc12 1911586414 QBTZSBZVBVUATC-UHFFFAOYSA-N 389.451 5.203 10 1 GKCF O=S(=O)(Nc1ccc(O)c2ccccc12)c1ccc(-c2ccccc2)cc1 299826215 ZLXLGHCZUBGOCL-UHFFFAOYSA-N 375.449 5.013 10 1 GKCF Cc1ccc(C)c(Cc2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)c1 587922847 XTYPMRCJZOFUHV-UHFFFAOYSA-N 390.527 6.564 10 1 GKCF CCCN(CCC)CCCNc1c2ccc(Cl)cc2nc2ccc(OC)cc12 35878711 CZWOLBXHILPVFA-UHFFFAOYSA-N 399.966 5.974 10 1 GKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4cc(F)c(Cl)cc4[nH]3)cc2)cc1 587195789 NGOGJIZJQPBQFH-UHFFFAOYSA-N 393.853 6.504 10 1 GKCF OC1=C2C(=Nc3nc4ccccc4n3[C@H]2c2ccccc2O)C[C@@H](c2ccco2)C1 103530009 IQUHDCKURBELGM-FATZIPQQSA-N 397.434 5.400 10 1 GKCF C[C@H](/N=N/c1nc2ccccc2s1)c1ccc(-c2ccc(C(=O)O)cc2)o1 169730134 ZQHPEPUGEUAQOL-FYKQZTOXSA-N 377.425 6.099 10 1 GKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc4ccccc4cc3[nH]1)[C@@H]1CC=C[C@@H]21 587275261 AVIQGENEVMIRHT-PNCHPQGNSA-N 396.450 5.759 10 1 GKCF CN(C)c1ccc(/C=C/C=C2\C(=O)N(Cc3ccccc3)c3ccccc32)cc1 474603716 CUYYUCOFGMLKFX-GDISOSDLSA-N 380.491 5.396 10 1 GKCF Oc1ccc(C2=NN(c3cccc(Cl)c3)[C@H](c3ccc(Cl)cc3)C2)cc1 1857772089 DLPVFIWOZWUCAE-NRFANRHFSA-N 383.278 6.055 10 1 GKCF CC(C)(C)c1cc(-c2cc(-c3ccc(O)c(O)c3)[nH]n2)cc(C(C)(C)C)c1O 26657675 WOKZVQDMGCDCRO-UHFFFAOYSA-N 380.488 5.456 10 1 GKCF [N-]=[N+]=NCCCCCCc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587259625 GDYGTXQLUPPOKX-UHFFFAOYSA-N 390.207 5.757 10 1 GKCF Cc1cc(O)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1Cl 587698660 ZIRJMWZHUKXOOF-YYSFKGJASA-N 398.703 5.188 10 1 GKCF Cc1c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n(C)c2ccccc12 587755326 OTQFQSBHNIUUHO-WYRIXSBYSA-N 387.296 5.012 10 1 GKCF Cc1cc(Cl)c(C)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O 587691553 GCXKRQWRLYQMNI-HUTHGQBESA-N 398.703 5.188 10 1 GKCF Cc1cc(C)c2c(c1O)[C@@]1(C[C@H]2C)c2ccsc2CCN1Cc1ccco1 962702513 AKHLDVVFVCEKNZ-WAIKUNEKSA-N 379.525 5.473 10 1 GKCF CCN(CC)CCC[C@H](C)Nc1c2ccccc2nc2c1ccc1ccccc12 45188322 MLSWCLRJLYCDHG-IBGZPJMESA-N 385.555 6.464 10 1 GKCF COc1cc2c(cc1C)NC(=O)/C2=C/c1c(Cl)[nH]c2c1ccc1ccccc12 58575656 QOLVEFAFKHGXJQ-VCHYOVAHSA-N 388.854 5.784 10 1 GKCF O=C(O)[C@H]1CCCN(CCCC=Cc2ccc(N=Nc3ccccc3)cc2)C1 1857748443 AOZOTQVJPZKRQD-FQEVSTJZSA-N 377.488 5.692 10 1 GKCF O=C1C(=O)c2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2-c2ccccc21 13862841 DEYWAQBFGXXXOI-UHFFFAOYSA-N 395.336 5.004 10 1 GKCF Cc1cc2c(cc1C)N[C@H](c1ccc(O)cc1O)C1=C(O)CC(C)(C)CC1=N2 103882448 QFUHFWZYTYCPNK-JOCHJYFZSA-N 378.472 5.586 10 1 GKCF C[C@H](/N=N/c1nc2ccccc2s1)c1ccc(-c2cccc(CC(=O)O)c2)o1 169730126 XBNUOUNJZHMIJJ-LRNBNYQNSA-N 391.452 6.028 10 1 GKCF C[C@@H](/N=N/c1nc2ccccc2s1)c1cccc(-c2cncc(C(=O)O)n2)c1 169730158 RVBDDRFTOKSNHT-ODDUIVNTSA-N 389.440 5.296 10 1 GKCF CC(C)c1ccc(O)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587820003 CKJNYGLWYMFCBQ-ODXCJYRJSA-N 392.312 5.215 10 1 GKCF Oc1ccc(C/N=N/c2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)cc1 169689470 MSRRHQZTUFYSEG-WNAAXNPUSA-N 392.768 5.805 10 1 GKCF Cc1cc2c(n1-c1ccc(Oc3ccc(F)cc3)c(F)c1)CC(C)(C)CC2=O 587944558 FJGCCZBMXJSWEG-UHFFFAOYSA-N 381.422 6.011 10 1 GKCF COc1ccc(-c2cn(Cc3ccccc3O)cc2-c2ccc(OC)cc2)cc1 1772609443 MTXRNZSVZRAGEH-UHFFFAOYSA-N 385.463 5.593 10 1 GKCF COc1cccc2c(-c3ccc4c(c3O)[C@H](C)N(C)[C@H](C)C4)c(C)cc(OC)c12 6484428 ZSYADESMHZOJRK-CVEARBPZSA-N 391.511 5.475 10 1 GKCF biogenic CN(C)c1ccc(/C=C/C(=O)Nc2ccc3c(c2)C(C)(C)CC(C)(C)S3)cc1 299862442 MZUOLWSPEIHCBW-NTEUORMPSA-N 394.584 5.957 10 1 GKCF Cc1ccc2ccc([C@H](Nc3ccccn3)c3ccc(F)cc3F)c(O)c2n1 1772630516 BCUKAKWSCQJREX-OAQYLSRUSA-N 377.394 5.124 10 1 GKCF CC(C)[C@@H]1N=C(C2CCCCC2)c2ccccc2N(Cc2ccc(N)cc2)C1=O 66075765 ZNQSXNOCBQGPIM-QHCPKHFHSA-N 389.543 5.210 10 1 GKCF O=C(O)C[C@H]1CCCCN1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1772652547 WHKWBAZUOHKJMP-QGZVFWFLSA-N 394.298 5.406 10 1 GKCF Cc1cc(Br)c(O)c([C@@H]2NCCc3c(Cl)cc(Cl)cc32)c1 963113178 VOFKCJPYSNSMTK-OAHLLOKOSA-N 387.104 5.005 10 1 GKCF CCc1c(CN2CCSCC2)cc(-c2ccc(F)cc2)n1-c1ccccc1 95536752 PDSWZHVMHKGLBF-UHFFFAOYSA-N 380.532 5.395 10 1 GKCF CCN(CC)c1ccc(/N=N/c2ccc(-c3nc4cccn(C)c-4n3)cc2)cc1 17720100 OZNXQQIJRCNEPI-CYYJNZCTSA-N 384.487 5.849 10 1 GKCF Cc1ccc(C)n1-c1ccccc1NC(=S)Nc1ccc(C(F)(F)F)cc1 653806262 KHWJGEDDLXDNTJ-UHFFFAOYSA-N 389.446 5.922 10 1 GKCF O=C(CCn1c2c(c3ccccc31)CCCC2)/N=N/c1c(O)[nH]c2ccccc12 103965884 VNMJARKWUJYRTI-OCEACIFDSA-N 386.455 5.408 10 1 GKCF C[C@H](/N=N/c1nc2ccccc2s1)c1cccc(-c2ccc(C(=O)O)o2)c1 169730175 MJCSWSUEOWRDRY-FYKQZTOXSA-N 377.425 6.099 10 1 GKCF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(-c3ccc4c(c3)CCC4)c1C)O2 587391278 UEIZIYKVMWVZOO-XMMPIXPASA-N 386.495 5.180 10 1 GKCF CSc1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@H]43)[nH]c2c1 587275254 ATUVOZWPXGYXJI-BXTJHSDWSA-N 392.484 5.328 10 1 GKCF CCOc1ccc(N2CC(Oc3ccc([C@H](C)CC(=O)C(C)C)cc3)C2)cc1 96172987 GBAWVBPOBLVLCD-GOSISDBHSA-N 381.516 5.072 10 1 GKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C(C)(C)C)cc2O)N1 587824229 YZVSDHDYCGBFKV-WLRWDXFRSA-N 392.312 5.215 10 1 GKCF COc1ccc2c(c1)CCC=C2Cc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587933990 CWJPIKRWQQLGPC-UHFFFAOYSA-N 397.478 5.518 10 1 GKCF O=C1/C(=C/c2c(Cl)[nH]c3ccccc23)c2ccccc2N1Cc1ccccc1 169310848 DYRJGEGARSVNOC-XSFVSMFZSA-N 384.866 5.909 10 1 GKCF C[C@H]1C(=CCOC(=O)C=Cc2ccc(O)c(O)c2)CC[C@@]2(C)[C@H](C)CC[C@]12C 2356389586 AFTXHVWTXMMGNO-GCRLEYHISA-N 384.516 5.453 10 1 GKCF COP(=O)(Nc1cccc(Nc2c3ccccc3nc3ccccc23)c1)OC 28245944 OVNOTBXTSZIJHD-UHFFFAOYSA-N 393.383 5.944 10 1 GKCF COc1ccc(-n2cnc3cc(NCc4ccc(C(C)(C)C)cc4)ccc32)cc1 95585649 JQEILBLBISTELV-UHFFFAOYSA-N 385.511 5.944 10 1 GKCF CC1(C)C[C@@](C)(c2ccc(O)cc2O)N(c2ccc3ccccc3c2)C(S)=N1 8685408 IZBBJNRWRJBVAY-QHCPKHFHSA-N 392.524 5.441 10 3 GKCF COc1cccc(-c2ccc(O)c(CN[C@@H](C)c3cccc4ccccc34)c2)n1 12024949 UQKCCVBTLTVZHF-KRWDZBQOSA-N 384.479 5.467 10 1 GKCF COC(=O)c1cccc2[nH]c(-c3ccc(N=Nc4ccc(N(C)C)cc4)cc3)nc12 587196335 SUXVIFABCVQMES-UHFFFAOYSA-N 399.454 5.498 10 1 GKCF COc1cc(/C=C/c2nc3c4ccccc4c4ccccc4c3[nH]2)cc(O)c1O 587785335 LKFPBEQWMMLJDJ-ZHACJKMWSA-N 382.419 5.460 10 1 GKCF CCOc1ccc(N2CC(Oc3ccc([C@H](C)CC(=O)C4(C)CC4)cc3)C2)cc1 96172980 VVXOTASTIDJMBN-GOSISDBHSA-N 393.527 5.216 10 1 GKCF Cc1ccc(-n2c(C)cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2C)cc1 587512056 KGZOHGQWEBWGBZ-VWLOTQADSA-N 385.507 5.988 10 1 GKCF CC(C)c1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O 587835963 YVCSQBLZINGKDF-VOJFVSQTSA-N 378.285 5.041 10 1 GKCF Cc1cc(-c2csc(-c3ccc(C(N)=O)cc3)n2)c(C)n1-c1ccccc1F 587922792 WIBIFOAKMWXVCQ-UHFFFAOYSA-N 391.471 5.123 10 1 GKCF [N-]=[N+]=NCCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)NC1CC1 38153837 APVKIRJJFMYWIO-MGCLDQAJSA-N 384.568 6.701 10 1 GKCF CCCCCCc1ccc(-c2ccc(OC(=O)c3cccc(O)c3O)cc2)cc1 1857612685 VFFGSVADKPDRKQ-UHFFFAOYSA-N 390.479 6.107 10 1 GKCF CN(C)c1ccc(/C=C/c2sc3ccccc3[n+]2CCCc2ccccc2)cc1 82156871 XPDRYQDGCAIWLJ-UHFFFAOYSA-N 399.583 6.058 10 1 GKCF O=C(COc1ccc2ccccc2c1)/N=N/c1c(O)[nH]c2ccc(Cl)cc12 103970484 BLKWWXDQHSOSPN-WCWDXBQESA-N 379.803 5.369 10 1 GKCF C[C@H](/N=N/c1nc2ccccc2nc1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 169724118 JJRWKPYMWBUQNX-FBQNGNFFSA-N 397.438 5.974 10 1 GKCF Cc1cc(-c2csc([C@H](C)Cn3cccn3)n2)c(C)n1-c1ccccc1F 587922805 WVKZCLUHFRTBLD-CQSZACIVSA-N 380.492 5.357 10 1 GKCF Nc1ccc(Oc2ccc3nc(C[C@H](N)c4cccc5ccccc45)[nH]c3c2)cc1 587259194 YNBXYTHTYOZIKE-QFIPXVFZSA-N 394.478 5.333 10 1 GKCF O=C(O)c1cc(C(=O)O)c2cc(/N=N/c3ccc(-c4ccccc4)cc3)ccc2n1 169307981 TWLZUMSVEOROEH-OCEACIFDSA-N 397.390 5.714 10 1 GKCF CCOc1ccc(Oc2ccc(-c3cnc(-c4ccc(O)c(O)c4)o3)cc2)cc1 1857634110 KGEKACTXIXWSBU-UHFFFAOYSA-N 389.407 5.611 10 1 GKCF Oc1cccc(-c2nnc(-c3ccc(-c4nc5ccccc5s4)cc3)o2)c1O 1911584945 VRNNSULTTNRMDS-UHFFFAOYSA-N 387.420 5.092 10 1 GKCF FC(F)(F)c1cc(/N=N/C=C2\CCCN2Cc2ccccc2)ccc1Cl 40402845 JDEYKTHKTAUADA-FVLJRMOYSA-N 379.813 6.580 10 1 GKCF COc1ccc2c(c1)sc(/C=C\c1ccc(N(C)C)c3ccccc13)[n+]2C 90131081 GBIZOSZMYZCUJY-UHFFFAOYSA-N 375.517 5.124 10 1 GKCF CSc1cccc(-n2c(C)cc(-c3csc([C@@H]4CCCOC4)n3)c2C)c1 587926310 WWQNZAZTRFTRLX-MRXNPFEDSA-N 384.570 5.834 10 1 GKCF COc1ccc(-c2cn(-c3ccc(F)cc3)c3c2C(=O)c2ccccc2C3=O)cc1 1857630460 DNLIMGNJFJRNRM-UHFFFAOYSA-N 397.405 5.067 10 1 GKCF c1ccc(/N=N/c2ccc(NCCCN3CCCCC3)c3c2CCCC3)cc1 5934059 NAMBXKSIEZPFCO-CYYJNZCTSA-N 376.548 6.269 10 1 GKCF CC(C)=CCc1c([C@H]2CCc3ccc(O)cc3O2)cc(O)c(O)c1CC=C(C)C 49785560 AOUGZVKCLQLQNU-HSZRJFAPSA-N 394.511 5.887 10 1 GKCF Oc1[nH]c2ccc(Br)cc2c1N=Nc1ccc(C(F)(F)F)cn1 299813235 OEIPRFLUNMBQOL-UHFFFAOYSA-N 385.143 5.465 10 1 GKCF CC(C)(C)c1ccc(N[C@H](c2ccccc2)c2ccc3ccccc3c2O)cc1 653786101 SJAQOHPWEWPNRP-RUZDIDTESA-N 381.519 7.044 10 1 GKCF CC(C)CCNc1ccc(C(=O)c2ccccc2)c2c1OC[C@H](C(C)(C)C)N2 27556780 NPTWUKNBHHFGNT-HXUWFJFHSA-N 380.532 5.595 10 1 GKCF CCN(CC)CCC[C@H](Nc1c2ccccc2nc2ccccc12)c1ccccc1 29555646 OHJODHGTICQJCF-DEOSSOPVSA-N 397.566 6.663 10 1 GKCF CSC(=S)NCc1cc2c3ccccc3n(C)c2c(-c2ccc(F)cc2)n1 474610058 ZPDYJXDNWADCGA-UHFFFAOYSA-N 395.528 5.270 10 1 GKCF Nc1ccc(Oc2ccc3nc(Cc4csc(-c5ccco5)n4)[nH]c3c2)cc1 587017204 JEFBBXXXMJKHCE-UHFFFAOYSA-N 388.452 5.245 10 1 GKCF COc1ccc([C@@H](Nc2ccccn2)c2cc(Cl)c3cccnc3c2O)cc1 96285978 IBWHIVSJSJWXAQ-HXUWFJFHSA-N 391.858 5.199 10 1 GKCF O=C1/C(=C\c2ccc(-c3ccccc3)cc2)C=C(c2ccccc2)N1c1ccccc1 1772582105 OHORKBAIBGTDGY-QOMWVZHYSA-N 399.493 6.825 10 1 GKCF O=C(c1ccc2c(c1)OCO2)c1ccccc1Nc1ccccc1Br 1911575926 REKDLMKASAGDDS-UHFFFAOYSA-N 396.240 5.152 10 1 GKCF Oc1ccc2ccccc2c1[C@H](Nc1nc2ccccc2s1)c1ccccc1 169351614 MOGCLZDSVUKBCR-HSZRJFAPSA-N 382.488 6.357 10 1 GKCF COc1ccc2nc(Cl)c(/C=C3\C=C(c4ccc(C)cc4C)OC3=O)cc2c1 1857539638 BAXRVKRMZSJRAV-LICLKQGHSA-N 391.854 5.495 10 1 GKCF NC(=O)CCCCCc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 5422223 FOVSBFJVCHEMEY-UHFFFAOYSA-N 383.495 5.720 10 1 GKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(Cl)cc3[nH]1)[C@@H]1CC=C[C@@H]21 587272371 RFNDKFJFTHAVOH-LPMFXHHGSA-N 380.835 5.259 10 1 GKCF C[C@H]1C[C@@]2(NCCc3cc(-c4ccccc4)ccc32)c2c(O)c(Cl)cc(F)c21 962664420 NYWDHERXOOEPHT-BSEYFRJRSA-N 393.889 5.748 10 1 GKCF C/C(Cl)=C\Cn1c(O)c(/N=N/C(=N)S)c2cc(Br)ccc21 13570796 GXFFVQWGMMQOAK-NSFLPQOVSA-N 387.690 5.200 10 1 GKCF Cc1ccc(C)n1-c1ccc(OCCCOc2ccc(-n3cccc3)cc2)cc1 473111943 CBTQOXOAJKMCKT-UHFFFAOYSA-N 386.495 5.733 10 1 GKCF Nc1ccc(Oc2ccc3[nH]c(C(=O)Cc4ccc(Cl)cc4)nc3c2)cc1 587071341 KGNVVGYYWJTJST-UHFFFAOYSA-N 377.831 5.016 10 1 GKCF Cc1ccc2c(C(=O)c3ccccc3NCc3ccc4cn[nH]c4c3)c[nH]c2c1 6718528 PATZLRMJVHUMJZ-UHFFFAOYSA-N 380.451 5.196 10 1 GKCF CN1CCc2c(Br)cccc2[C@H]1c1ccc(-c2ccccc2)cc1O 963269222 GFTTZABHYMLNEZ-QFIPXVFZSA-N 394.312 5.399 10 1 GKCF Cc1cc(O)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cl 587692246 KASOCHUNEGSFCE-YPMLDQLKSA-N 398.703 5.053 10 1 GKCF Cc1ccc2[nH]c(O)c(/N=N\C(=O)[C@@H]3C[C@@H]3c3ccccc3)c2c1Br 102376920 YOPPNVGYQQWBPH-OMLDSWJQSA-N 398.260 5.358 10 1 GKCF O=C(O)[C@H]1[C@H]2CC=C[C@@H]2c2cc(Oc3ccccc3)cc3c2N1C[C@H]1CC=C[C@@H]31 136619746 JFRAUHQWVZAEAI-VGJVMQFFSA-N 385.463 5.085 10 1 GKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Cl)cc(F)c3[nH]1)[C@@H]1CC=C[C@H]21 587277290 SDZSDPDZSOJTDV-JCGVRSQUSA-N 398.825 5.399 10 1 GKCF CCCc1cc(Nc2ccnc3cc(Cl)ccc23)cc(CNC(C)(C)C)c1O 26665008 RULCEVDNXHFPTD-UHFFFAOYSA-N 397.950 6.178 10 1 GKCF NC(=O)CCCCCCc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 5422230 SSMIMZFVKKSBMJ-UHFFFAOYSA-N 397.522 6.110 10 1 GKCF Cc1ccc2ccc([C@@H](Nc3ccccc3)c3ccc(C(C)C)cc3)c(O)c2n1 95565542 KSACZJLGLDBKMF-DEOSSOPVSA-N 382.507 6.574 10 3 GKCF O=C1/C(=C\c2ccc(-c3ccccc3)o2)C(c2ccccc2)=NN1c1ccccc1 653821077 QPKMQJHQRSKMGY-NKFKGCMQSA-N 390.442 5.781 10 1 GKCF COC(=O)[C@@H](C)c1ccc(-c2ccc(NCc3cc(C)ccc3O)cc2)c(F)c1 1911572823 VFGYIQJEPMHWBF-INIZCTEOSA-N 393.458 5.395 10 1 GKCF O=C1Nc2cccc(Cl)c2/C1=C\c1c(Cl)[nH]c2c1ccc1ccccc12 58576613 ROQHCAGCAPLRGC-XNTDXEJSSA-N 379.246 6.121 10 1 GKCF O=[N+]([O-])c1ccc(/N=N/c2c(-c3ccc(Cl)cc3)n[nH]c2C(F)(F)F)cc1 169724829 OGBGNNSVZIZQDE-XTQSDGFTSA-N 395.728 6.073 10 1 GKCF COc1ccc(-c2[nH]c3c(C(=O)O)cccc3c2-c2ccc3ccccc3n2)cc1 587639319 RIWGKOCDQNIVLN-UHFFFAOYSA-N 394.430 5.757 10 1 GKCF Cc1c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2n1C 587755132 OIZBGAYAGJMZON-BIBXISHDSA-N 387.296 5.012 10 1 GKCF CC1=CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1COC(=O)C=Cc1ccc(O)c(O)c1 2356601097 JHEQNYHKAUVOSF-SNYIIPAISA-N 384.516 5.453 10 1 GKCF COc1ccc2c(c1)[C@@](C)(c1cc(Cl)c3ccccc3c1O)N(C(C)C)CC2 962094050 RDJSCNVATDDUQB-DEOSSOPVSA-N 395.930 5.737 10 1 GKCF Cc1cc(C)c2c(c1O)[C@]1(C[C@H]2C)c2ccsc2CCN1Cc1ccco1 962702511 AKHLDVVFVCEKNZ-MWTRTKDXSA-N 379.525 5.473 10 1 GKCF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccccc1CSc1ccccc12 587537301 CPUSAKYIRXJUOM-AREMUKBSSA-N 398.527 6.080 10 1 GKCF CCOC(=O)c1ccc(N[C@@H](c2ccc3cccnc3c2O)C2CCCC2)cc1 653798428 QHOPTBGRPYAIDH-OAQYLSRUSA-N 390.483 5.461 10 1 GKCF Oc1[nH]c2ccc(Br)cc2c1N=Nc1ccc(Cl)c(Cl)c1 617960118 UYMUKFLNYBYZHP-UHFFFAOYSA-N 385.048 6.358 10 1 GKCF Cc1cc2c(/N=N/C(=O)[C@H]3C[C@@H]3c3ccccc3)c(O)[nH]c2cc1Br 101701527 VUIXBYVYDKRWKF-VVVPOWLISA-N 398.260 5.358 10 1 GKCF CCO[C@@H](C)c1nc(C)c(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)s1 587014498 MGTOHUCWKKUIAS-ZDUSSCGKSA-N 394.500 5.467 10 1 GKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(Cl)c(C)c3[nH]1)[C@@H]1CC=C[C@@H]21 587271891 KQOMSBZVDQBJDZ-JZKQVHKSSA-N 394.862 5.568 10 1 GKCF COc1cccc2c(-c3ccc4c(c3O)[C@@H](C)N[C@@H](C)C4)c(C)cc(OC)c12 3872316 MXIZZLBQRBAZEX-LSDHHAIUSA-N 377.484 5.133 10 1 GKCF biogenic Cc1cc(Cl)c(C)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O 587691761 HVCLFQQFISQOFH-HUTHGQBESA-N 398.703 5.188 10 1 GKCF Cc1ccc([C@@H](Nc2ccc(C(=O)O)cc2)c2ccc3cccnc3c2O)cc1 653798422 PGGWEWHHESOWBG-OAQYLSRUSA-N 384.435 5.149 10 1 GKCF CC1=C[C@@H]2C(c3ccccc3)=NC(/N=N/c3c(O)[nH]c4ccccc34)=N[C@H]2C=C1 4031532 JNJLVDZRTHSZDF-QVUPZQCSSA-N 381.439 5.317 10 1 GKCF O=C(O)[C@H]1[C@@H]2CC=C[C@@H]2c2cc(Oc3ccccc3)cc3c2N1C[C@H]1CC=C[C@H]31 5128605 JFRAUHQWVZAEAI-UZLHEJGHSA-N 385.463 5.085 10 1 GKCF C[C@H]1S[C@H](c2ccccc2)N(Nc2c3ccccc3nc3ccccc23)C1=O 5550787 NMQHAXOMRNMCCO-IQMFZBJNSA-N 385.492 5.378 10 1 GKCF Cc1nn(-c2ccccc2Cl)c(Cl)c1C/N=N/c1cccc(C(=O)O)c1 169688453 DQEFGYXTRDTDJZ-QURGRASLSA-N 389.242 5.470 10 1 GKCF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587950786 CLMZELYCDCLDIB-QRFQSNJMSA-N 379.504 5.984 10 1 GKCF Clc1cc(Cl)c2c(c1)[C@H](c1ccc(N3CCCCC3)cc1Cl)NCC2 963114104 WKBKRTPNGQDJSZ-FQEVSTJZSA-N 395.761 5.872 10 1 GKCF COc1cc2c3c(c1)O[C@@H](c1cc(C)n(-c4ccc5c(c4)CCC5)c1C)[C@@H](C2)C3=O 587432025 SYIRRLVBJNECHB-NVQXNPDNSA-N 399.490 5.080 10 1 GKCF COc1ccc(/N=N/c2c(C)[nH]n(-c3nc4ccc(Cl)cc4s3)c2=O)cc1 169330584 NDVOGZLORDLEJO-QURGRASLSA-N 399.863 5.161 10 1 GKCF Cc1cc(O)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1Cl 587698658 ZIRJMWZHUKXOOF-NIVTXAMTSA-N 398.703 5.188 10 1 GKCF Cc1ccc2nc(N=Nc3c(O)[nH]c4ccccc34)nc(-c3ccccc3)c2c1 617988287 RXPLFVCVUMFNAC-UHFFFAOYSA-N 379.423 6.208 10 1 GKCF CC(C)(C)c1ccc(N[C@@H](c2ccccc2)c2ccc3ccccc3c2O)cc1 653786102 SJAQOHPWEWPNRP-VWLOTQADSA-N 381.519 7.044 10 1 GKCF Cc1ccc(C2=NN[C@@]3(S2)C(=O)N(c2ccccc2C)c2ccc(C)cc23)cc1 28824758 VNZUMNJEKFPUCV-DEOSSOPVSA-N 399.519 5.141 10 1 GKCF Cc1ccc(C/C=C(\N=N\c2nc3ccccc3c(=O)n2C)c2ccccc2)cc1 169720511 KTWHKNKEVHECBC-RHKPWNPNSA-N 394.478 5.609 10 1 GKCF CC(C)c1ccc(O)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587823126 SKLMQXSBYZPPPL-ODXCJYRJSA-N 392.312 5.215 10 1 GKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3ccccc3c2O)N1 587834567 SFJSISYBYTXSJS-WYRIXSBYSA-N 386.264 5.071 10 1 GKCF Cc1cc(-c2csc(-c3ccc4c(c3)CCO4)n2)c(C)n1-c1ccccc1F 587922237 LUYHDNCFCGXLKF-UHFFFAOYSA-N 390.483 5.959 10 1 GKCF Cc1ccccc1NC(=S)N1N=C(c2ccc(O)cc2)C[C@H]1c1cccs1 45337759 XZBJDMCMULVGCP-IBGZPJMESA-N 393.537 5.310 10 1 GKCF Cc1ccccc1-c1cc(CN2CCSCC2)c(C)n1-c1ccc(F)cc1 36471845 ZCDKXSAOKYJZNB-UHFFFAOYSA-N 380.532 5.449 10 1 GKCF O=C1c2ccccc2-c2cc(-c3ccc(-n4cccc4)cc3)nc3ccc(O)c1c23 586987844 SJKZHRBFWDOCDF-UHFFFAOYSA-N 388.426 5.610 10 1 GKCF Cc1ncsc1-c1c[nH]cc1-c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587027757 GFERSQSJSMHGJC-UHFFFAOYSA-N 387.468 5.364 10 1 GKCF Cc1cc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@@H]43)[nH]c2cc1Cl 587272352 QZKFMTIRNUFMNO-LAPQFRIASA-N 394.862 5.568 10 1 GKCF CSc1ccc(-c2ccc(C)n2[C@H](COc2cc(F)cc(F)c2)N=O)cc1 587945707 PSRYNBWVLOXJNH-HXUWFJFHSA-N 388.439 5.808 10 1 GKCF CCOC(=O)c1c(O)csc1Nc1ccc2c(c1)c1ccccc1n2CC 169730429 WRNFJOVQLHNCJM-UHFFFAOYSA-N 380.469 5.502 10 1 GKCF CC[C@@]1(c2ccc(Cl)cc2O)N[C@H](C)Cc2cc(Br)c(F)cc21 587698389 PXCUSRGEXXKOCU-MGNBDDOMSA-N 398.703 5.135 10 1 GKCF Cc1cc(Cl)ccc1O[C@@H](C)C(=O)/N=N/c1c(O)[nH]c2ccc(Cl)cc12 103961391 OKMCFJDUUUCZGI-PPTIKLOKSA-N 392.242 5.567 10 1 GKCF Oc1ccccc1Cn1c2c(c3ccccc31)CCN(Cc1ccccc1)C2=S 653819841 KWJXQSKBWFGRAJ-UHFFFAOYSA-N 398.531 5.129 10 1 GKCF COc1ccc(Cl)cc1Nc1nc2c(s1)CCCCc1nc(N)sc1-2 144019946 RCUWGJKHPUZBGU-UHFFFAOYSA-N 392.937 5.133 10 3 GKCF COc1cc2c(c(OC)c1OC)-c1cc3c(ccn3C)cc1[C@H](N=[N+]=[N-])CC2 653687668 UVOOHCWHKQZYQU-MRXNPFEDSA-N 378.432 5.169 10 1 GKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc4ncccc4c3[nH]1)[C@H]1CC=C[C@@H]21 587276798 NNTHYPVHSWUUED-GTQRCTGISA-N 397.438 5.154 10 1 GKCF Cc1cc(Cl)c(C)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O 587691556 GCXKRQWRLYQMNI-XYZCENFISA-N 398.703 5.188 10 1 GKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3ccccc3c2O)N1 587834642 SRGRIIXIYUCUFE-NSPYISDASA-N 386.264 5.071 10 1 GKCF CC(C)c1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1O 587835964 YVCSQBLZINGKDF-ZMZPIMSZSA-N 378.285 5.041 10 1 GKCF CCc1ccc(-n2c(-c3ccc(F)cc3)cc(CN3CCSCC3)c2C)cc1 40937976 QIAJXGOYXKMPJB-UHFFFAOYSA-N 394.559 5.703 10 1 GKCF Cc1cc(-c2csc(-c3ccnc4ccccc34)n2)c(C)n1-c1ccccc1F 587922056 IJMXYVNBRSWLDC-UHFFFAOYSA-N 399.494 6.572 10 1 GKCF Oc1cc2c(c(Cl)c1O)CCN(Cc1cccs1)C[C@@H]2c1ccccc1 27182809 ORXQGFLOEUYCGK-GOSISDBHSA-N 385.916 5.003 10 1 GKCF COc1ccc2nc3cc(Cl)ccc3c(Nc3ccccc3N(C)C)c2c1 53194075 MZVCZPBVKVTDHL-UHFFFAOYSA-N 377.875 5.860 10 1 GKCF Cc1cccc2c(C(=O)c3ccccc3NCc3ccc4ncccc4c3)c[nH]c12 40880044 HQWKFSLMYILZCC-UHFFFAOYSA-N 391.474 5.868 10 1 GKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(F)c(C)c3[nH]1)[C@@H]1CC=C[C@@H]21 587277565 YKPNYZVOVFVBKU-JZKQVHKSSA-N 378.407 5.054 10 1 GKCF COc1cc2c(c(O)c1OC/C=C(\C)CC/C=C(/C)CCC=C(C)C)CNC2=O 212293663 PHOZASLNSDMYGR-FJRBYWJDSA-N 399.531 5.442 10 1 GKCF C[C@H](CSc1ccc(F)cc1)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587170990 HPCSAFSNQBJBAI-CQSZACIVSA-N 393.487 5.972 10 1 GKCF Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1cccc(F)c1 587504976 PFDICMWFUKYQHQ-DEOSSOPVSA-N 389.470 5.819 10 1 GKCF CCN(CC)Cc1c(O)c(OC)cc2nc3c(cc12)CSc1cc(F)ccc1-3 43021855 YRGWZASRANEESQ-UHFFFAOYSA-N 398.503 5.203 10 1 GKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Cl)cc(C)c3[nH]1)[C@@H]1CC=C[C@H]21 587271915 LILQGLTWKIWNCY-MDOVXXIYSA-N 394.862 5.568 10 1 GKCF O=C1CC2(CCN(c3ccc4c(c3)CCC4)CC2)Oc2c1ccc1c2CCCC1 587515909 XIXCPFMTSCSLCQ-UHFFFAOYSA-N 387.523 5.059 10 1 GKCF CC/C(=C\c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)c1ccc(C)cc1 587965513 ATOMRKORLDVAOO-JQIJEIRASA-N 392.458 5.597 10 1 GKCF CCCNc1cc(OCC)c(Br)cc1-n1c(C)ccc1C(C)C 587935831 GPLRPQBCIFXJJT-UHFFFAOYSA-N 379.342 5.892 10 1 GKCF CCc1ccc(-c2nc3c4c(ccc3[nH]2)C(=O)c2ccccc2C4=O)cc1CC 586878232 AUICAGRQRWVCCW-UHFFFAOYSA-N 380.447 5.130 10 1 GKCF Cc1cc(NS(C)(=O)=O)cc(C)c1Nc1c2ccccc2nc2ccccc12 29397857 PDYSJYODMRGHAC-UHFFFAOYSA-N 391.496 5.120 10 1 GKCF COc1ccc(OC)c(-c2ccc(O)c(CNCCc3ccc(Cl)cc3)c2)c1 45324777 QRQISGOHYDEMKA-UHFFFAOYSA-N 397.902 5.062 10 1 GKCF Cc1cc(C)c2[nH]c(O)c(/N=N/C(=O)COc3ccc(Cl)cc3Cl)c2c1 103960279 TXTOKVXIAWEALR-GHVJWSGMSA-N 392.242 5.486 10 1 GKCF Cc1cc(-c2csc(/C=C(\N)c3ccccc3)n2)c(C)n1-c1ccccc1F 587922018 GQHOLYSWPRSOSY-MOSHPQCFSA-N 389.499 5.814 10 1 GKCF CCC[C@@H](Oc1ccc(Nc2c3ccccc3nc3ccccc23)cc1)C(=O)O 26841676 OEIXMQLMVWARBJ-JOCHJYFZSA-N 386.451 5.764 10 1 GKCF COc1ccc([C@@H]2CC(c3c(O)ccc4ccccc34)=NN2c2ccccc2)cc1 28528670 CTMHQNQBIWDVMM-DEOSSOPVSA-N 394.474 5.910 10 1 GKCF Nc1ccc(Oc2ccc3nc(-c4ccc(Br)cc4F)[nH]c3c2)cc1 587143147 XXLUWTXQPNOSIY-UHFFFAOYSA-N 398.235 5.506 10 1 GKCF Cc1c(-c2ccc(N(C)C)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587625566 KJPSLOPXROVFHT-UHFFFAOYSA-N 386.339 6.247 10 1 GKCF Cc1cc(C=C[C@@H]2C=Cc3cc(N(C)C)ccc3N2C)c(C)n1-c1ccccc1 2356866926 VPKCTQVIBYHCBP-HSZRJFAPSA-N 383.539 5.705 10 1 GKCF CCCCCC[C@]1(C)NC(c2ccc3c(c2)OCO3)=C[C@@H](c2ccccc2O)N1 2934935 CJMXYIBMAQBFBJ-GBXCKJPGSA-N 394.515 5.083 10 1 GKCF C[C@@H]1C(c2ccccc2O)=NN(c2cccc(Cl)c2)[C@@H]1c1ccc(O)c(F)c1 299831583 QVZNQKWYDREXEZ-DMZKTXOQSA-N 396.849 5.492 10 1 GKCF CCCCN(CCCC)CCCCNc1c2ccccc2nc2ccccc12 45202821 FZJIZYSUBDGVEN-UHFFFAOYSA-N 377.576 6.482 10 1 GKCF CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)/C1=C/c1ccc2ccccc2c1 223774721 YIFNDDDVTPQXMK-KGENOOAVSA-N 395.487 5.769 10 1 GKCF Cc1cc(-c2csc(Cc3ccc(Cl)cc3)n2)c(C)n1-c1ccccc1F 587922174 KWGHSDVWFZHDIZ-UHFFFAOYSA-N 396.918 6.601 10 1 GKCF [N-]=[N+]=NCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC1CC1 13674226 APVKIRJJFMYWIO-DTLRTWKJSA-N 384.568 6.701 10 1 GKCF CN1CC=C(c2c[nH]c3ccc(CC(=S)CC(=O)c4ccccc4)cc23)CC1 96177578 POTDDMJMOQVNAK-UHFFFAOYSA-N 388.536 5.072 10 1 GKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3ccccc3c2O)N1 587834646 SRGRIIXIYUCUFE-WYRIXSBYSA-N 386.264 5.071 10 1 GKCF Oc1ccc(C2=NN(C(=S)Nc3ccccc3)[C@H](c3cccs3)C2)cc1 45386403 ALGBAFAQEQIPEW-SFHVURJKSA-N 379.510 5.002 10 1 GKCF Cc1cc(-c2csc(-c3c(F)cccc3F)n2)c(C)n1-c1ccccc1F 587921824 BEUVNBPCKJUJBY-UHFFFAOYSA-N 384.426 6.302 10 1 GKCF O=C1/C(=C/c2cc(Cl)cc(Cl)c2)SC(=S)N1Cc1ccccc1 84728058 YWNOYEVDAMMRJP-NVNXTCNLSA-N 380.321 5.395 10 1 GKCF Cc1nc2c(C)ccc3c2c(c1Cc1ccc(O)c(O)c1)-c1ccccc1C3=O 587102253 ULUZDIBXLYSDBT-UHFFFAOYSA-N 381.431 5.065 10 1 GKCF CCn1c(C)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 587577654 OGUSBMNSCICMTP-RCZVLFRGSA-N 399.446 5.378 10 1 GKCF Cc1ccc(/N=N/c2c(C)[nH]n(-c3nc4ccc(Cl)cc4s3)c2=O)cc1 169330590 UFHOBKGRLWFLBZ-QURGRASLSA-N 383.864 5.461 10 1 GKCF Cc1cc(-c2csc(CCN3CCCCC3)n2)c(C)n1-c1ccccc1F 587922813 XBLNOMHJBYOWOC-UHFFFAOYSA-N 383.536 5.385 10 1 GKCF COc1cccc2c3c(cnc12)CCN[C@@H]3c1cc(C)n(-c2cccc(C)c2)c1C 963059834 VCYZLFRHVDNYQX-AREMUKBSSA-N 397.522 5.194 10 1 GKCF COc1ccc(C/N=N/c2nc(-c3cc4ccccc4oc3=O)cs2)cc1 169693503 TYFMJKOYEFWJQV-XTQSDGFTSA-N 377.425 5.209 10 1 GKCF Cc1cc(-c2csc(COC(=O)C(C)(C)C)n2)c(C)n1-c1ccccc1F 587922489 PFNPVLJDMWMTOT-UHFFFAOYSA-N 386.492 5.446 10 1 GKCF Oc1ccc(C2=NN(c3cccc(Cl)c3)[C@@H](c3ccc(Cl)cc3)C2)cc1 1857772090 DLPVFIWOZWUCAE-OAQYLSRUSA-N 383.278 6.055 10 1 GKCF COc1ccc2nc3cc(Cl)ccc3c(NCCCCCCCCN)c2c1 29318775 LPCRMUOAGMBWAI-UHFFFAOYSA-N 385.939 5.761 10 1 GKCF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1ccc(F)c(Br)c1O 963241185 MGRHVMMVDPJTCT-SGTLLEGYSA-N 378.285 5.040 10 1 GKCF COC(=O)[C@H](C)c1ccc(-c2ccc(NCc3ccccc3O)cc2)c(F)c1 1911578971 CKRLHIYNDSQTLM-OAHLLOKOSA-N 379.431 5.087 10 1 GKCF Cc1[nH]c2ccccc2c1C(=O)c1ccccc1NCc1ccc2cn[nH]c2c1 40875621 OWCSIXIWMFSPIV-UHFFFAOYSA-N 380.451 5.196 10 1 GKCF CN(CCC=C1c2ccccc2CCc2ccccc21)[C@H]1CCCC[C@H]1CO 299858557 DSXXQCRHGGFECW-NVQXNPDNSA-N 375.556 5.090 10 1 GKCF Cc1cc(-c2csc(-c3ccc4nc[nH]c4c3)n2)c(C)n1-c1ccccc1F 587922061 IRMAZIYDRXKVIH-UHFFFAOYSA-N 388.471 5.900 10 1 GKCF Cc1cc(-c2csc(Cc3cccc(Cl)c3)n2)c(C)n1-c1ccccc1F 587922074 JGSCKYTZSUCQSR-UHFFFAOYSA-N 396.918 6.601 10 1 GKCF Clc1cccc(C[n+]2ccc(Cn3c4c(c5ccccc53)CCCC4)cc2)c1 1857538210 WMVCGSYVRUCKTC-UHFFFAOYSA-N 387.934 5.558 10 1 GKCF Cc1ccc2c(c1)c([C@H]1Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c(C)n2C 587574482 BDHBGFJOIJBHEQ-WIOPSUGQSA-N 399.446 5.204 10 1 GKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4cccc(C)c4)n3)c2C)c1 587924125 GSUDIUPMKPXNLS-UHFFFAOYSA-N 390.577 6.915 10 1 GKCF Brc1ccc(-c2ccc(C3Nc4cccc5cccc(c45)N3)o2)cc1 36380494 JGKQAELLTQGCRI-UHFFFAOYSA-N 391.268 6.399 10 3 GKCF COc1c(CC=C(C)C)c2c(c3occc13)C(=O)C[C@H](c1ccc(O)c(O)c1)O2 14819404 POMYWCNEUNRBFJ-LJQANCHMSA-N 394.423 5.068 10 1 GKCF biogenic Cc1c(C(=O)O)cccc1-c1ccc([C@@H](C)/N=N/c2nc3ccccc3o2)o1 169730121 GMKJXBYUVBDNTE-YOJUGNCBSA-N 375.384 5.939 10 1 GKCF Cc1ccc(Cc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc1C(F)(F)F 587095690 QVBAQJHCRMQEIH-UHFFFAOYSA-N 397.400 5.855 10 1 GKCF C[C@@H](Oc1ccc(F)c(F)c1)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587151885 VGIXCJUNCPJHJK-GFCCVEGCSA-N 381.382 5.356 10 1 GKCF Oc1c(CN2CCCC2)cc(Cn2ccc3ccc(Cl)cc32)c2cccnc12 1857645820 YRKSAYOYSULZHI-UHFFFAOYSA-N 391.902 5.193 10 1 GKCF Oc1ccc(C2=NN(c3ccc(Cl)cc3)[C@@H](c3cccc(Cl)c3)C2)cc1 1857766128 VTPGYBNMLSMRMN-OAQYLSRUSA-N 383.278 6.055 10 1 GKCF CC(C)c1cccc(-c2nc3c(NCc4ccc(N(C)C)cc4)nccc3[nH]2)c1 82084111 MLFLNIXJVNOVIY-UHFFFAOYSA-N 385.515 5.426 10 1 GKCF CCN(CC)c1ccc([C@@H]2c3cccc(F)c3CCN2[C@H]2CCSC2)c(C)c1 962722956 ZDSNOJXCWATUFZ-YADARESESA-N 398.591 5.433 10 1 GKCF Nc1ccc(Oc2ccc3nc(C4(c5cccc(Cl)n5)CC4)[nH]c3c2)cc1 587084831 UPLIKRQCNBAILJ-UHFFFAOYSA-N 376.847 5.066 10 1 GKCF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@]1(C)CCc2ccc(O)c(O)c2O1 27627104 PKRSOMOWKPTVDB-YMDGTMPZSA-N 398.587 7.381 10 1 GKCF CC(=O)N1N=C(c2ccc(OCC=C(C)C)cc2O)C[C@@H]1c1ccc(Cl)cc1 64528294 IADCATISUCAYRY-OAQYLSRUSA-N 398.890 5.088 10 1 GKCF Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(F)cc1 587510758 VYZWQVQVWUZBLI-DEOSSOPVSA-N 389.470 5.819 10 1 GKCF Cc1ccc2c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(C)n(C)c2c1 587574588 BSNBMZUNTIKNFN-DHLKQENFSA-N 399.446 5.204 10 1 GKCF COc1ccccc1-c1nc(-c2cc(C)n(-c3ccccc3F)c2C)cs1 587922845 XRWUYJBAAXWPKX-UHFFFAOYSA-N 378.472 6.032 10 1 GKCF CC(C)COc1ccc([C@@H]2c3ccsc3CCN2Cc2cccnc2)c(O)c1 963002331 ZKUUFKIWQWATQA-HSZRJFAPSA-N 394.540 5.031 10 1 GKCF O=C(/C=C/c1ccccc1)NCCCCNc1c2ccccc2nc2ccccc12 95581774 QMTRJXKHEIELHU-WUKNDPDISA-N 395.506 5.410 10 1 GKCF COC(=O)c1ccc2[nH]c(-c3ccc(N=Nc4ccc(N(C)C)cc4)cc3)nc2c1 587195471 KNNKMDOFFHDRRX-UHFFFAOYSA-N 399.454 5.498 10 1 GKCF Cc1cc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@@H]43)[nH]c2cc1F 587277505 XJBXSQWYBHQJFI-LAPQFRIASA-N 378.407 5.054 10 1 GKCF Cc1ccnc(-n2c(C)cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2C)c1 587512462 OFLMLZWJVCQJSQ-HSZRJFAPSA-N 386.495 5.383 10 1 GKCF CCCOc1ccc(N2CC(Oc3ccc([C@H](C)CC(C)=O)cc3)C2)c(C)c1 96172902 IHRNSMLTCPOPGR-QGZVFWFLSA-N 381.516 5.134 10 1 GKCF Oc1ccc2oc(Cc3ccccc3)cc2c1CN1CCC(c2ccccc2)CC1 103262350 ATPQXVGCWQDZIF-UHFFFAOYSA-N 397.518 6.109 10 1 GKCF Cc1nn(-c2ccccc2)c(Cl)c1C/N=N/c1ccc(Cl)c(C(=O)O)c1 169688465 AVPQBTDFOVKKJX-QURGRASLSA-N 389.242 5.470 10 1 GKCF Cc1ccc2c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(C)n(C)c2c1 587574595 BSNBMZUNTIKNFN-WIOPSUGQSA-N 399.446 5.204 10 1 GKCF CC[C@@]1(c2cc(Br)cc(Cl)c2O)NCCc2cc(C)c(F)cc21 962092076 MGAPVVSAHPQRGE-GOSISDBHSA-N 398.703 5.055 10 1 GKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(O)ccc3ccccc23)N1 587830253 CHDSRHCBHWJHBX-GIPWTMENSA-N 386.264 5.071 10 1 GKCF O=S(=O)(O)c1ccc2cc(N=Nc3c(O)ccc4ccccc34)c(O)cc2c1 2356856666 SCOATMYMHLMIQV-UHFFFAOYSA-N 394.408 5.066 10 1 GKCF CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@@H]1/N=N\c1cccc(C)c1 102733859 WGFWKUNVVXRAFF-QNBCRBJRSA-N 389.484 5.302 10 1 GKCF Cc1cc([C@H]2NCCc3nc4ccccn4c32)c(C)n1-c1cccc(C(C)C)c1 962981894 GXZLMDHSJXJERR-XMMPIXPASA-N 384.527 5.100 10 1 GKCF Cc1cc(-c2csc(-c3ccc(N(C)C)cc3)n2)c(C)n1-c1ccccc1F 587923003 ZZZRZXZZBVQDFM-UHFFFAOYSA-N 391.515 6.090 10 1 GKCF Oc1ccc(C2=NN(c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3)C2)cc1O 1857655499 MQKSXCWBYQNCLU-IBGZPJMESA-N 399.277 5.760 10 1 GKCF Cc1cccc(-c2cc(NCC(C)C)c3noc4c3c2C(=O)c2ccccc2-4)c1 95563851 ASOAQHHWEOXLEC-UHFFFAOYSA-N 382.463 6.083 10 1 GKCF Cc1cc(O)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cl 587692243 KASOCHUNEGSFCE-XTZNXHDOSA-N 398.703 5.053 10 1 GKCF CC(C)=CCC/C(C)=C\CC/C(C)=C\COC(=O)/C=C/c1ccc(O)c(O)c1 40845928 OOQZCQKEFKRXLR-UECATJJXSA-N 384.516 6.073 10 1 GKCF Cc1ccc2[nH]cc(C(=O)c3ccccc3NCc3ccc4ncccc4c3)c2c1 40880036 BRUBMANVVAQFHP-UHFFFAOYSA-N 391.474 5.868 10 1 GKCF CCOC(=O)c1sc2ccccc2c1/N=N/Nc1ccc(F)c(Cl)c1 299838196 MDDDIQLRMLAOSQ-UHFFFAOYSA-N 377.828 5.981 10 1 GKCF Cc1cc(-c2[nH]c3cc(F)ccc3c2N2CCCC2)c(C)n1-c1ccc(F)cc1 587634493 HBQJWWFTCLBWNB-UHFFFAOYSA-N 391.465 6.121 10 1 GKCF Oc1cc(C(F)(F)F)ccc1[C@H]1c2ccsc2CCN1Cc1cccnc1 962999861 ZFRUOGNSCDXTCK-IBGZPJMESA-N 390.430 5.015 10 1 GKCF Nc1ccc(Oc2ccc3nc(C4(c5ccc(Cl)cc5)CCC4)[nH]c3c2)cc1 587074099 PUMXOLKQUSVTSB-UHFFFAOYSA-N 389.886 6.061 10 1 GKCF COc1cc(OC)c2[nH]c([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)nc2c1 587078434 QTOSOCDBGRZEFM-KSMMKXTCSA-N 381.863 5.060 10 1 GKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4c(ccc5ncccc54)[nH]3)cc2)cc1 587194974 DQNCNGRKHBDJCY-UHFFFAOYSA-N 392.466 6.260 10 1 GKCF CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cccc(Cl)c23)cc1 5138665 ROEMQRRPIKSNLU-UHFFFAOYSA-N 397.887 5.157 10 1 GKCF CCCOc1cc2nc(CCCCCCN=[N+]=[N-])[nH]c2cc1Br 587260318 QZIGALUTHLIJCP-UHFFFAOYSA-N 380.290 5.527 10 1 GKCF CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3c(Cl)cccc23)cc1 5138682 HHJAARLXUOVIJH-UHFFFAOYSA-N 397.887 5.157 10 1 GKCF FC(F)(F)c1cc(/N=N/C2=C3CCCCN3CCC2)ccc1Br 84466301 WCMUEKDJFWJLTB-QURGRASLSA-N 388.231 6.043 10 1 GKCF O=C1/C(=C/c2cccs2)N=C(c2ccccc2)N1c1nc2ccccc2s1 6020196 XAWICDXFJWTYBL-LGMDPLHJSA-N 387.489 5.192 10 1 GKCF CCCCCCNCc1c(O)ccc2c(CNCCCCCC)c(O)ccc12 45189307 BZTKZXJOYXZZHH-UHFFFAOYSA-N 386.580 5.591 10 1 GKCF O=C1c2cccc(Cl)c2C(Cc2ccc(O)c(O)c2)c2c(Cl)cccc21 64454085 NQGYCDISSZSOOF-UHFFFAOYSA-N 385.246 5.324 10 1 GKCF COc1cccc2c3c(cnc12)CCN[C@@H]3c1cc(C)n(-c2ccccc2C)c1C 963040273 VTURSHIMQNJNJI-AREMUKBSSA-N 397.522 5.194 10 1 GKCF COc1ccc(Oc2ccc(-c3cnc(-c4ccc(O)c(O)c4)o3)cc2)cc1 1857750446 GXHPZKCKUQKTOO-UHFFFAOYSA-N 375.380 5.221 10 1 GKCF Oc1cccc(CCCC=CCCCCCCCc2cccc(O)c2O)c1O 2356543076 DHFYTZLZLPEBOW-UHFFFAOYSA-N 384.516 5.971 10 1 GKCF Cc1ccc(-c2cc(CN3CCSCC3)c(C)n2-c2ccc(F)cc2)cc1 36471843 LDRSOOWGHTVZPY-UHFFFAOYSA-N 380.532 5.449 10 1 GKCF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1CSc1ccccc12 587537302 CPUSAKYIRXJUOM-SANMLTNESA-N 398.527 6.080 10 1 GKCF CCN(CC)c1ccc2c(c1)S/C(=C\c1sc3ccccc3[n+]1C)N2CC 29126609 WBPMQUAUVYEDTI-UHFFFAOYSA-N 396.605 5.503 10 1 GKCF C[C@H](/N=N/c1nc2ccccc2s1)c1ccc(-c2ccc(C(=O)O)o2)s1 169730165 ANUIGPSSACCTKD-KWDUWWDHSA-N 383.454 6.161 10 1 GKCF CC(C)=CCOc1cc(O)cc(CCc2ccc(O)c(O)c2)c1CC=C(C)C 13340591 BNTYXDBRBRYHOP-UHFFFAOYSA-N 382.500 5.442 10 1 GKCF biogenic,in-vitro CCCN(CCCNc1c2ccc(OC)cc2nc2c(C)cccc12)CC(C)C 40568546 POSROYXWQJMQKA-UHFFFAOYSA-N 393.575 5.875 10 1 GKCF Cc1cc(=O)c2ccc(O)c(CN(CCc3ccccc3)Cc3ccccc3)c2o1 64516726 BIGYFFNTWRBEOK-UHFFFAOYSA-N 399.490 5.052 10 1 GKCF CCOc1cc(/C=C/C=C/C=C/c2ccc(N(C)C)cc2)[s+]c2ccccc12 95550430 GHNJMHXLRXPNKR-SZKUKKIJSA-N 388.556 6.930 10 1 GKCF COc1cc(/C=C/c2ccc(NCc3ccc(OC)cc3O)cc2)cc(OC)c1 96928148 UTENCOMRZUUXAM-SNAWJCMRSA-N 391.467 5.201 10 1 GKCF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cccc(C(F)(F)F)c3)[nH]c21 587114043 UKGMTLANHXXEQM-UHFFFAOYSA-N 392.336 5.024 10 1 GKCF CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@@H](C)[C@H](C)[C@@H]3N=[N+]=[N-] 3870581 ZMTGNGKSHYMMGE-PZROIBLQSA-N 395.459 5.698 10 1 GKCF CC(C)(C)c1cc(Br)c(O)c(CNCCCc2ccccc2)c1 230471897 LIVFSGNFBWATFT-UHFFFAOYSA-N 376.338 5.175 10 1 GKCF in-vitro Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(-c3cccc4ccccc34)c1C)O2 587388619 DWZINNNXOVEGRL-RUZDIDTESA-N 396.490 5.844 10 1 GKCF CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(-c3ccc(C)cc3)c1C)CC2=O 587471333 PWKCBOWLHVFEGC-DEOSSOPVSA-N 389.495 5.767 10 1 GKCF Cc1ccc(-c2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)c(C)c1 587922283 NIZPTNBAUVETCO-UHFFFAOYSA-N 376.500 6.641 10 1 GKCF [N-]=[N+]=NCC/C(=C(\c1ccccc1)c1ccc(OCCO)cc1)c1ccccc1 299832876 XDFRJOYSEGRKGS-VHXPQNKSSA-N 385.467 5.717 10 1 GKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc(C)o4)n3)c2C)c1 587924220 MMXFOWJPRJJKCC-UHFFFAOYSA-N 380.538 6.508 10 1 GKCF O=C(O)c1ccc(-n2c(-c3ccccc3)cc3c2CCc2ccccc2-3)cc1O 27090222 YXZIMZZVCCEFRC-UHFFFAOYSA-N 381.431 5.314 10 1 GKCF O=C(O)c1cc2c3c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(F)cc1)N3C[C@H]1CC=C[C@H]21 4126728 AZRBPQNKAPCMOS-DJIOSBNXSA-N 387.454 5.418 10 1 GKCF COc1cc(O)c2c(c1CC=C(C)C)[C@@H]1[C@H](C2)C(C)(C)[C@H]1c1ccc(O)c(O)c1 35029352 GZFNBAIGMIFCNM-DPSWKAHMSA-N 394.511 5.400 10 1 GKCF biogenic CCCN(CC)CCCNc1c2ccc(OC)cc2nc2c(C)c(F)ccc12 40766732 HZFSSVLMUYFYCM-UHFFFAOYSA-N 383.511 5.378 10 1 GKCF Cc1cc(-c2csc(-c3ccc4c(c3)OCO4)n2)c(C)n1-c1ccccc1F 587922590 QSWGUSKDIRQGRZ-UHFFFAOYSA-N 392.455 5.752 10 1 GKCF CCC(C)=C1C(=O)N(c2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C1=O 653767646 QVWKMHNPOWKFBY-UHFFFAOYSA-N 375.255 5.015 10 1 GKCF CC1=C[C@H]2C(c3ccccc3)=NC(/N=N/c3c(O)[nH]c4ccccc34)=N[C@H]2C=C1 4031531 JNJLVDZRTHSZDF-GELKJMISSA-N 381.439 5.317 10 1 GKCF O=C1c2ccccc2C(=O)c2cc(C(=O)c3coc4ccc(Cl)cc34)ccc21 587278650 QEGUSVVPLYRAJK-UHFFFAOYSA-N 386.790 5.093 10 1 GKCF COc1ccc(-c2ccc3c(c2O)[C@@H](C)N(C)[C@H](C)C3)c2cc(C)cc(OC)c12 1772575656 MYPHOFQPUOJYOZ-HZPDHXFCSA-N 391.511 5.475 10 1 GKCF CN(C)c1ccc(-c2cc3c(Nc4cccc(N(C)C)c4)nccc3n2C)cc1 82083699 ATTYIPSICASWDN-UHFFFAOYSA-N 385.515 5.116 10 1 GKCF CC1(C)CC(=S)C2=C(C1)Oc1ccc3ccccc3c1[C@@H]2c1ccc(F)cc1 103272229 SHJHECNLEZCPGH-QFIPXVFZSA-N 388.507 6.947 10 1 GKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4ncc(Cl)cc4[nH]3)cc2)cc1 587196557 VRNUKMULZOUJRK-UHFFFAOYSA-N 376.851 5.760 10 1 GKCF O=C(O)c1ccc(N[C@@H](c2ccc3cccnc3c2O)C2CCCCC2)cc1 653795684 VHEYDKALXFQXQA-HXUWFJFHSA-N 376.456 5.372 10 1 GKCF O=C1N=C(c2ccc(Cl)cc2)S/C1=C\c1cccc(Oc2ccccc2)c1 84669955 VMXJEYKZNVUTKS-ZHZULCJRSA-N 391.879 6.193 10 1 GKCF CCC(=O)N(Cc1ccc(N(CC)CC)cc1)c1c(-c2ccccc2)noc1C 1857568451 XKXMWGVMYPTMMW-UHFFFAOYSA-N 391.515 5.439 10 1 GKCF CCn1c2ccccc2c2cc(C(=S)c3ccc(C)c4ccccc34)ccc21 1857771053 IFLBDXQAFQWHBU-UHFFFAOYSA-N 379.528 7.042 10 1 GKCF Cc1[nH]c2ccccc2c1C(=O)c1ccccc1NCc1ccc2ncccc2c1 40894831 RIMGDXBQKWKIAX-UHFFFAOYSA-N 391.474 5.868 10 1 GKCF COc1cc2nc3c(cc2c(CN2CCCC2)c1O)CSc1ccc(C)cc1-3 43012465 BYPGBFPSGPXDBW-UHFFFAOYSA-N 392.524 5.126 10 1 GKCF Oc1ccc2oc(-c3ccccc3)cc2c1CN1CCC(N2CCCCC2)CC1 103262319 YLBNSRZTXHNVGW-UHFFFAOYSA-N 390.527 5.256 10 1 GKCF Cc1ccc(NC(=O)CC(=O)n2nc(C)c(/N=N/c3cccc(C)c3)c2C)cc1 5541997 SPEZPHPQXGARGB-OCOZRVBESA-N 389.459 5.201 10 1 GKCF O=C(CN1C=C/C(=C/C=C2\C=Nc3ccccc32)c2ccccc21)c1ccccc1 377838564 ZHQPUYTURDPRPS-UAKSEAGPSA-N 388.470 6.086 10 1 GKCF Cc1cc(-c2csc([C@@H](C)Cn3cccn3)n2)c(C)n1-c1ccccc1F 587922804 WVKZCLUHFRTBLD-AWEZNQCLSA-N 380.492 5.357 10 1 GKCF CC(=O)Nc1c(C)cc(C)c2c1C(=O)C(=O)c1c(-c3ccccc3)csc1-2 45287585 NDTIBTOEGMYQNV-UHFFFAOYSA-N 375.449 5.036 10 1 GKCF Cc1cc([C@@H]2NCCc3nc4ccccn4c32)c(C)n1-c1cccc(C(C)C)c1 962981893 GXZLMDHSJXJERR-DEOSSOPVSA-N 384.527 5.100 10 1 GKCF Nc1[nH]c(/N=N\c2nc(-c3ccc(Br)cc3)cs2)c2ccccc12 13865516 VODJZGTWHHSHOF-FCQUAONHSA-N 398.289 6.052 10 1 GKCF COc1ccc([C@H]2CC(c3c(O)ccc4ccccc34)=NN2c2ccccc2)cc1 28528671 CTMHQNQBIWDVMM-XMMPIXPASA-N 394.474 5.910 10 1 GKCF O=C(O)c1cccc2c(-c3ccccc3Br)c(-c3ccccc3)[nH]c12 587637027 TYZFTSGHEONMCP-UHFFFAOYSA-N 392.252 5.963 10 1 GKCF CC1=N[C@@H](N)OC(c2ccc(Nc3c4ccccc4nc4ccccc34)cc2)=C1 84688610 VXUPTBLIWQOHCQ-XMMPIXPASA-N 380.451 5.206 10 1 GKCF Cc1cc2c(c3oc(-c4ccccc4)cc13)C(=O)c1c(OC(C)C)cccc1C2=O 473084603 STADZXCOOWKKPJ-UHFFFAOYSA-N 396.442 5.971 10 1 GKCF CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(-c3ccccc3F)c1C)CC2=O 587468345 UJOWKWFLQCELSL-QHCPKHFHSA-N 393.458 5.598 10 1 GKCF CC(C)(C)c1cccc([C@H]2c3cccc(F)c3CCN2[C@H]2CCSC2)c1O 962720864 XEQBUDKGUXLKGN-YCRPNKLZSA-N 385.548 5.282 10 1 GKCF Cc1cc2c(NC(=O)NCc3ccc(N4CCCCCC4)cc3)cccc2cn1 14973461 CRXMYQXPWMGLMV-UHFFFAOYSA-N 388.515 5.245 10 1 GKCF Cc1ccnc(-n2c(C)cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2C)c1 587512463 OFLMLZWJVCQJSQ-QHCPKHFHSA-N 386.495 5.383 10 1 GKCF CSc1ccc(-c2ccc(C)n2-c2ccc(-c3cccc(F)c3)c(F)c2)cc1 587944236 AZRSXMUNMDEHFX-UHFFFAOYSA-N 391.486 7.120 10 1 GKCF CN1c2ccc(Cl)cc2[C@]2(C)c3c[nH]cc3-c3c([nH]c4ccc(Cl)cc34)[C@H]12 2356712702 LDQFIYNIQYYGSV-FCHUYYIVSA-N 394.305 6.280 10 1 GKCF Nc1ccc(Oc2ccc3nc(/C=C/c4cccc5ccccc45)[nH]c3c2)cc1 587969461 TXXBFWGFYMELOV-OVCLIPMQSA-N 377.447 6.261 10 1 GKCF O=C(O)c1ccc(/N=N/Cc2cn(Cc3ccc(F)cc3)c3ccccc23)cc1 169691662 XKTMPHBPUMLQFD-OCEACIFDSA-N 387.414 5.811 10 1 GKCF CCOC(=O)c1ccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2c1 587077813 AGDZVKGQITXEPR-MDOVXXIYSA-N 393.874 5.220 10 1 GKCF Nc1ccc(Oc2ccc3nc(-c4cc(Cl)cc([N+](=O)[O-])c4F)[nH]c3c2)cc1 587139385 IZLBGVNXTFHBQX-UHFFFAOYSA-N 398.781 5.305 10 1 GKCF Cn1c(/N=N/C(=C\Cc2ccccc2)c2ccccc2)nc2ccccc2c1=O 169720508 CPFQRZCIQAFOMB-DNMPUTBASA-N 380.451 5.301 10 1 GKCF C[C@H](/N=N/c1nc2ccccc2s1)c1cccc(-c2cccc(C(=O)O)n2)c1 169730144 FYHVBVFEIYSUTF-UJJCNQHWSA-N 388.452 5.901 10 1 GKCF CN(C)c1ccc(C/N=N/c2nc(-c3cc4ccccc4oc3=O)cs2)cc1 169693512 XSUXWRDJJVHACF-ZNTNEXAZSA-N 390.468 5.266 10 1 GKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cnc4ccccc4c3[nH]1)[C@H]1CC=C[C@H]21 587275363 CVFCXTHMRIGLRJ-DFFLPILJSA-N 397.438 5.154 10 1 GKCF O=C(O)[C@H]1[C@H]2CC=C[C@@H]2c2cc(Oc3ccccc3)cc3c2N1C[C@@H]1CC=C[C@@H]31 169295765 JFRAUHQWVZAEAI-ZNNKIHTMSA-N 385.463 5.085 10 1 GKCF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1ccc(F)c(Br)c1O 963241184 MGRHVMMVDPJTCT-KZULUSFZSA-N 378.285 5.040 10 1 GKCF CC1(C)C[C@](C)(c2ccc(O)cc2O)N(c2ccc3ccccc3c2)C(S)=N1 8685409 IZBBJNRWRJBVAY-HSZRJFAPSA-N 392.524 5.441 10 3 GKCF CCCCCCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 64436828 JOEFPMRDMQVSIB-XMMPIXPASA-N 387.527 5.369 10 1 GKCF Cc1c(C)n(Cc2cc(CN3CCCC3)c(O)c3ncccc23)c2ccccc12 1857763451 KROYAYLZKOVCBP-UHFFFAOYSA-N 385.511 5.156 10 1 GKCF CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1Cl 5141404 XLQKPBXTITXAHG-UHFFFAOYSA-N 397.887 5.157 10 1 GKCF CCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3c(C)cccc23)cc1 28003491 JFPPULGWMQNZJS-UHFFFAOYSA-N 391.496 5.202 10 1 GKCF Cc1cnc(SCc2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)s1 587102838 ZKWGWKSJPGUOST-UHFFFAOYSA-N 388.517 5.812 10 1 GKCF COc1cc(O)c2c(c1CC=C(C)C)[C@@H]1[C@@H](C2)C(C)(C)[C@@H]1c1ccc(O)c(O)c1 13373187 GZFNBAIGMIFCNM-GAZXMLTASA-N 394.511 5.400 10 1 GKCF biogenic CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)C=Cc2c(ccc(O)c2O)O1 40937950 HDKOYWYEMWGKBR-VKVNSWABSA-N 396.571 7.462 10 1 GKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4cc(C(C)(C)C)ccc4[nH]3)cc2)cc1 587194981 DTHZUZOEOJQGPC-UHFFFAOYSA-N 397.526 7.009 10 1 GKCF CC1CCN(c2ccc([C@@]3(C)NCCc4cccc(-c5ccccc5)c43)cc2)CC1 962671198 SUGHHEIUCZATAA-MUUNZHRXSA-N 396.578 5.999 10 1 GKCF CCOc1ccc(N2CC(Oc3ccc([C@H](C)CC(=O)C4CCC4)cc3)C2)cc1 96172991 AZUVCEAERIDAKY-GOSISDBHSA-N 393.527 5.216 10 1 GKCF CC1=CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@H]1COC(=O)C=Cc1ccc(O)c(O)c1 2356601098 JHEQNYHKAUVOSF-VNZMSGEBSA-N 384.516 5.453 10 1 GKCF CC(C)c1ccc(Sc2ccc3c(c2)C(=O)c2cc(O)c(O)cc2C3=O)cc1 95579637 LMCZCWWAGOARCM-UHFFFAOYSA-N 390.460 5.148 10 1 GKCF Cc1nc2sc3ccccc3n2c(=O)c1/N=N/c1ccc(Br)cc1 6009784 HGQCKJYCEULSFX-QZQOTICOSA-N 399.273 5.396 10 1 GKCF CCCN(CCC)Cc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1O 1912690 JUPALBIYHVVPQE-UHFFFAOYSA-N 383.923 5.959 10 1 GKCF C[C@H](c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1)c1ccccc1C(F)(F)F 587098097 NIEOTSBUTLSECF-ZDUSSCGKSA-N 397.400 6.108 10 1 GKCF CC(C)(C)c1cc([C@@H]2c3ccc(F)cc3C[C@@H]3CCCN32)c(O)c(C(C)(C)C)c1 963111163 RMEWTGJSAZLXMJ-CVDCTZTESA-N 395.562 6.236 10 1 GKCF COc1ccc(CCN(C)CCCN2c3ccccc3Oc3ccccc32)cc1 168815919 ZPSNWMAGAWGHQC-UHFFFAOYSA-N 388.511 5.504 10 1 GKCF Nc1ccc(Oc2ccc3nc(-c4ccc(N)cc4C(F)(F)F)[nH]c3c2)cc1 587095524 IVGGCBSMZOTHIC-UHFFFAOYSA-N 384.361 5.205 10 1 GKCF O=C(/N=N/c1c(O)[nH]c2ccc(Br)cc12)c1ccc2ccccc2n1 103973997 UEEFMKDPJAIFHH-GHVJWSGMSA-N 395.216 5.108 10 1 GKCF CCN1/C(=C/C=C/c2sc3c(C)cccc3[n+]2CC)Sc2c(C)cccc21 5585993 GNPGYLCZRFAPRE-UHFFFAOYSA-N 393.601 6.312 10 1 GKCF O=C1/C(=C/c2ccc(F)cc2)C=C(c2ccc(Cl)cc2)N1Cc1ccccc1 43072542 XECGWSVKNWSIKU-XSFVSMFZSA-N 389.857 5.946 10 1 GKCF CC1=NN(c2ccccc2)C(=S)/C1=C/Nc1ccc(/N=N\c2ccccc2)cc1 100433134 VADQCXDTYYUJSA-HNEFAFEWSA-N 397.507 6.621 10 1 GKCF CC(=O)N1N=C(c2ccc(OCC=C(C)C)cc2O)C[C@H]1c1ccc(Cl)cc1 64528293 IADCATISUCAYRY-NRFANRHFSA-N 398.890 5.088 10 1 GKCF Cc1cc(O)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1Cl 587698656 ZIRJMWZHUKXOOF-LZVRBXCZSA-N 398.703 5.188 10 1 GKCF O=C(OCCCCCCCCCCc1ccccc1)c1cc(O)c(O)c(O)c1 13513670 BOLVKNJMKZTVBF-UHFFFAOYSA-N 386.488 5.324 10 1 GKCF Cc1cc(-c2csc(Cc3ccccc3F)n2)c(C)n1-c1ccccc1F 587921858 COJKBJLYUVRUAY-UHFFFAOYSA-N 380.463 6.087 10 1 GKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(Cl)c(C)c3[nH]1)[C@@H]1CC=C[C@H]21 587271892 KQOMSBZVDQBJDZ-MNVSYLFESA-N 394.862 5.568 10 1 GKCF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(-c3ccccc3Cl)c1C)O2 587375883 AILSPEVVWZHHTK-OAQYLSRUSA-N 380.875 5.345 10 1 GKCF CCOC(=O)Cc1nc(-c2cc(C)n(-c3cccc(SC)c3)c2C)cs1 587924422 XSAFSASHAWYESD-UHFFFAOYSA-N 386.542 5.045 10 1 GKCF COc1ccc2ccc(O)c([C@@H](c3cccc4ccccc34)N3CCCCC3)c2c1 653708454 HQNNYZDZYGVDFL-HHHXNRCGSA-N 397.518 6.283 10 1 GKCF CCCCCCN(C)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1 26641483 BYSDBZOAEJQFHO-UHFFFAOYSA-N 383.539 7.148 10 1 GKCF FC(F)(F)c1cc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2cn1 587077854 AYRGIKGPCQYDTL-RVPKQNPDSA-N 390.796 5.457 10 1 GKCF COc1ccc(-n2cc(-c3ccc(F)cc3)c3c2C(=O)c2ccccc2C3=O)cc1 1857629971 IPVWURVUPPFULP-UHFFFAOYSA-N 397.405 5.067 10 1 GKCF Nc1[nH]c(N=Nc2nc(-c3ccc(Br)cc3)cs2)c2ccccc12 299813179 VODJZGTWHHSHOF-UHFFFAOYSA-N 398.289 6.052 10 1 GKCF O=C1c2ccccc2C(=O)c2cc3oc(SCc4ccc(F)cc4)nc3cc21 299828583 RSXLKEWYRXRHAL-UHFFFAOYSA-N 389.407 5.035 10 1 GKCF O=C(O)c1ccc(/N=N/Cc2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 169688615 PRHCSZOKNZWWGK-QURGRASLSA-N 375.211 6.236 10 1 GKCF Cc1ccc2c3c(cc(-c4ccc(-n5cccc5)cc4)nc13)-c1ccccc1C2=O 587096933 FIBUVRIQWKZXPI-UHFFFAOYSA-N 386.454 6.212 10 1 GKCF Oc1ccc(-c2nnc(-c3ccc(-c4nc5ccccc5s4)cc3)o2)cc1O 1911570562 FVJNUKYHNMIOMD-UHFFFAOYSA-N 387.420 5.092 10 1 GKCF Cc1ccnc(N[C@H](c2ccc(F)cc2)c2cc(Cl)c3cccnc3c2O)c1 96285976 FRRVRVNGAKHMGO-HXUWFJFHSA-N 393.849 5.638 10 1 GKCF C[C@H](Oc1ccc2ccccc2c1)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587951526 NKMWJZMBVRHNDH-INIZCTEOSA-N 395.462 6.231 10 1 GKCF COc1ccc(NC(C)(C)c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc1 587201916 ZABXFXBLLHCTOV-UHFFFAOYSA-N 388.471 5.293 10 1 GKCF COc1cccc(-c2cc(-c3cccc(O)c3O)nc3c2oc2ccccc23)c1 587366383 OULGUYLYIKXMTM-UHFFFAOYSA-N 383.403 5.735 10 1 GKCF CC1(C)CCC[C@]2(C)c3cc(O)c(O)cc3-c3nc4cccc5c4c(c3[C@H]12)CC5 587215136 BUJFUOOGHSJEOH-AOYPEHQESA-N 385.507 5.977 10 1 GKCF C[C@@H]1C[C@]2(NCCc3cc(-c4ccccc4)ccc32)c2c(O)c(Cl)cc(F)c21 962664423 NYWDHERXOOEPHT-JBEBIEQOSA-N 393.889 5.748 10 1 GKCF OC1=C2C(=Nc3nc4ccccc4n3[C@@H]2c2ccccc2O)C[C@H](c2ccco2)C1 103530012 IQUHDCKURBELGM-LFVRLGFBSA-N 397.434 5.400 10 1 GKCF CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(-c3cc(C)ccn3)c1C)CC2=O 587470948 NLXBMQRHXCKQRY-QFIPXVFZSA-N 390.483 5.162 10 1 GKCF CCCCNCc1ccc2n1-c1ccccc1S[C@@H]2c1ccc(OC)cc1 27517486 PUWXQZSJEIFLDW-HSZRJFAPSA-N 378.541 5.571 10 1 GKCF CC(C)=CCc1c(O)c(O)cc2oc3c4c(ccc3c(=O)c12)OC(C)(C)C=C4 28639027 VCWSESMETSMYLY-UHFFFAOYSA-N 378.424 5.050 10 1 GKCF biogenic CC(C)NC(=N)c1c(O)nsc1Nc1ccc(/N=N/c2ccccc2)cc1 101101181 UHUJSFXTYMBZIA-WCWDXBQESA-N 380.477 5.331 10 1 GKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(F)c(C)c3[nH]1)[C@@H]1CC=C[C@H]21 587277566 YKPNYZVOVFVBKU-MNVSYLFESA-N 378.407 5.054 10 1 GKCF CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)cc(C(C)C)c1O 28007307 BCWMSYBKNFHANI-UHFFFAOYSA-N 397.950 6.303 10 1 GKCF Cc1ccc(C2=NN[C@]3(S2)C(=O)N(c2ccccc2C)c2ccc(C)cc23)cc1 28824759 VNZUMNJEKFPUCV-XMMPIXPASA-N 399.519 5.141 10 1 GKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc(N)cc4)n3)c2C)c1 587924052 AWKAOSYPNRNCIZ-UHFFFAOYSA-N 391.565 6.189 10 1 GKCF CCN1/C(=C/C=C/c2oc3ccc(Cl)cc3[n+]2C)Sc2ccc(F)cc21 169323909 NBAICIPCXAYEPP-UHFFFAOYSA-N 387.887 5.537 10 1 GKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Cl)cc(F)c3[nH]1)[C@@H]1CC=C[C@@H]21 587277293 SDZSDPDZSOJTDV-VFVRVIDISA-N 398.825 5.399 10 1 GKCF COc1cc(/C=C/c2nc3ccc(Sc4ccccc4)cc3[nH]2)cc(O)c1O 587785148 IHDVAFWLHAINIH-JXMROGBWSA-N 390.464 5.304 10 1 GKCF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2cc(C(F)(F)F)c(F)cc2O)N1 962958442 QAUVXONFZBFGGM-OVWNDWIMSA-N 378.369 5.045 10 1 GKCF Cc1ccc(NC(=S)N2N=C(c3ccccc3)C[C@H]2c2ccccc2O)cc1 72170737 YEHFESQCXYMYGB-NRFANRHFSA-N 387.508 5.249 10 1 GKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(C(C)(C)C)c2O)N1 587833842 PNHGLVSWWJOHGK-ADLMAVQZSA-N 392.312 5.215 10 1 GKCF O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(/N=N\c2c[nH]c3ccccc23)cc1 98082230 SFPPIWZBBGFFDQ-IZHYLOQSSA-N 385.383 5.744 10 1 GKCF COc1cccc2c3c(cnc12)CCN[C@H]3c1cc(C)n(-c2cccc(C)c2)c1C 963059837 VCYZLFRHVDNYQX-SANMLTNESA-N 397.522 5.194 10 1 GKCF Brc1ccc(-c2[nH]c3ccccc3c2/N=N\c2ccccc2)cc1 5834025 MJVPNGWTNWHGLL-VHXPQNKSSA-N 376.257 7.013 10 1 GKCF Cc1cc(-c2[nH]c3cccc(F)c3c2N2CCCC2)c(C)n1-c1ccc(F)cc1 587634555 JXUUHQGTIINWOM-UHFFFAOYSA-N 391.465 6.121 10 1 GKCF Cc1ccccc1-n1c(C)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587514312 WOXGOTTYEKUUTL-VWLOTQADSA-N 385.507 5.988 10 1 GKCF C[C@@H]1S[C@H](c2ccccc2)N(Nc2c3ccccc3nc3ccccc23)C1=O 5551457 NMQHAXOMRNMCCO-NPMXOYFQSA-N 385.492 5.378 10 1 GKCF Nc1ccc(Oc2ccc3nc(-c4ccc5cc(Cl)ncc5c4)[nH]c3c2)cc1 587085506 WYPVROQRVIGXIY-UHFFFAOYSA-N 386.842 5.806 10 1 GKCF Cc1cc(CN2CCC3(CC2)OCCc2sccc23)c(C)n1-c1ccccc1 1857775272 MPUPSSIARGDOOI-UHFFFAOYSA-N 392.568 5.220 10 1 GKCF Cc1ccc(C(=O)N[C@H](c2ccco2)c2cc(Cl)c3cccnc3c2O)cc1 66148921 XXNBRJIXWKVRNA-IBGZPJMESA-N 392.842 5.015 10 1 GKCF O=C(c1ccccc1NCc1ccc2cnccc2c1)c1c[nH]c2ccccc12 40395426 BKJAXHOWOJFHRP-UHFFFAOYSA-N 377.447 5.559 10 1 GKCF CC(=O)Nc1sc(/N=N/Cc2cccc(Cl)c2)nc1-c1cccs1 169690284 SZHPWIQSKABBKN-DYTRJAOYSA-N 376.894 5.767 10 1 GKCF Cc1cc(O)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1Cl 587697955 XKEPUBMOJLTGME-NIVTXAMTSA-N 398.703 5.188 10 1 GKCF Cc1cc(C)c2[nH]c(O)c(N=NC(=O)COc3ccc(Cl)cc3Cl)c2c1 617960083 TXTOKVXIAWEALR-UHFFFAOYSA-N 392.242 5.486 10 1 GKCF CCCN(CCCCNc1ccnc2cc(Cl)ccc12)Cc1ccccc1O 36474433 LOOYRMRGQKHZCO-UHFFFAOYSA-N 397.950 5.698 10 1 GKCF CN(C)c1ccc(/N=N/c2ccc(/C=C/c3ccnc4ccccc34)cc2)cc1 17161675 NVGIDAUKWMCZDF-MWXCRPFESA-N 378.479 6.887 10 1 GKCF CC1(C)CC(=S)C2=C(C1)Oc1ccc3ccccc3c1[C@H]2c1cccs1 103272306 SZFSIEWZZSIFQO-JOCHJYFZSA-N 376.546 6.870 10 1 GKCF CN1C=CC(=Cc2sc3ccccc3[n+]2C)c2c(-c3ccccc3)cccc21 1857583357 SZFDHYBVBQMJHJ-UHFFFAOYSA-N 381.524 5.897 10 1 GKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C(C)(C)C)cc2O)N1 587824225 YZVSDHDYCGBFKV-JEOXALJRSA-N 392.312 5.215 10 1 GKCF Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1nc3cc(Cl)c(Cl)cc3[nH]1)N2 587078115 IATWGWJSSCDBMJ-PISHQANHSA-N 390.701 6.350 10 1 GKCF Cc1cc2c(n1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)CCCC2 587942409 XZTDETABQDVCFU-UHFFFAOYSA-N 383.533 6.932 10 1 GKCF Oc1ccc2ccccc2c1C1=NN(c2ccccc2)[C@H](c2ccc(Cl)cc2)C1 28528731 PUGPGROGDJLFBE-QHCPKHFHSA-N 398.893 6.555 10 1 GKCF CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(-c3cccc(F)c3)c1C)CC2=O 587465559 FXOVVVGJMJJLOZ-QHCPKHFHSA-N 393.458 5.598 10 1 GKCF Cc1c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n(C)c2ccccc12 587755325 OTQFQSBHNIUUHO-WLRWDXFRSA-N 387.296 5.012 10 1 GKCF Oc1c([C@@H](Nc2ccccc2)c2ccccc2)ccc2cc3ccccc3nc12 653805012 QLMFMTVYQKSVHQ-DEOSSOPVSA-N 376.459 6.295 10 1 GKCF Oc1nc(/N=N/Cc2cccs2)sc1Cc1ccc(Cl)c(Cl)c1 169689524 UNYCXBJNAGSOED-CZIZESTLSA-N 384.313 6.092 10 1 GKCF COc1ccc(/N=N/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1=O 1857639147 YRIGKRHVOWVLPO-WCWDXBQESA-N 376.256 5.508 10 1 GKCF Cc1nc2ccccn2c1C(=O)/N=N\c1c(O)n(CCC(C)C)c2ccccc12 12600756 RYVUIJCSKMMDTD-IZHYLOQSSA-N 389.459 5.273 10 1 GKCF Cc1ccccc1NC(=O)Oc1ccc2c(c1)CN1CCc3ccccc3[C@@H]1N2C 95572925 ONMNBWIZOMLRQB-XMMPIXPASA-N 399.494 5.113 10 1 GKCF Cc1ccc(NC(=O)Cc2sc(/N=N/[C@@H](C)C(C)(C)C)nc2O)cc1Cl 169690463 WALOYMKPHWCCCC-WQSHTFOESA-N 394.928 5.510 10 1 GKCF Cc1onc(C(=O)O)c1[C@H](C)/N=N/c1cc(C(F)(F)F)cc(C(F)(F)F)c1 169727565 LUTUHJGHAQVOGB-KIDBTGCRSA-N 395.259 5.564 10 1 GKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(Cl)c3[nH]1)[C@H]1CC=C[C@H]21 587271808 JBSKYQCRMQWRQG-LXIYXOSZSA-N 380.835 5.259 10 1 GKCF Cc1cc(-c2csc(-c3ccnc(Cl)c3)n2)c(C)n1-c1ccccc1F 587922065 JAMJVHTYJKNLTN-UHFFFAOYSA-N 383.879 6.072 10 1 GKCF CC(C)=CCC/C(C)=C/Cc1c(O)cc(/C=C/c2ccc(O)c(O)c2)cc1O 14638099 YCBBOXBZWZTLGR-MZYNZGBKSA-N 380.484 5.915 10 1 GKCF CCc1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccccc3nc12 26851000 DQKYAVRYDHCFAH-UHFFFAOYSA-N 391.496 5.066 10 1 GKCF FC(F)(F)c1ccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2c1 587078374 OWMUXGCMDODJOS-JCGVRSQUSA-N 389.808 6.062 10 1 GKCF CC[C@H](C)CCCCCCCCCCCCCOC(=O)c1cccc(O)c1O 64510538 XGXUFBAHOWHDNU-FQEVSTJZSA-N 392.580 6.982 10 1 GKCF biogenic N=c1[nH]c(-c2cccc(-c3nc4ccc(Oc5ccc(N)cc5)cc4[nH]3)c2)cs1 587022474 XINDDULIHDWEPY-UHFFFAOYSA-N 399.479 5.140 10 1 GKCF C[C@H]1CCC[C@@H](C)N1CCC[C@@H](C)Nc1c2ccccc2nc2ccccc12 29551775 OWDBBJZADFLULE-AQNXPRMDSA-N 375.560 6.232 10 1 GKCF CN(C)c1ccc(/C=C/c2sc3ccccc3[n+]2C/C=C/c2ccccc2)cc1 82156874 ZNRIRPKGFQLRCO-DHZHZOJOSA-N 397.567 6.139 10 1 GKCF Clc1cc(C2=NN[C@@H](c3ccc(N4CCCCC4)cc3)C2)c(Cl)s1 103223518 UPFFVWQBRUABTA-OAHLLOKOSA-N 380.344 5.484 10 1 GKCF CC(C)c1ccc(O)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587823124 SKLMQXSBYZPPPL-FKIZINRSSA-N 392.312 5.215 10 1 GKCF COc1ccc(-n2c(-c3ccc(C)cc3)cc(CN3CCSCC3)c2C)cc1 64448513 WSSTVLBOFSMIBE-UHFFFAOYSA-N 392.568 5.319 10 1 GKCF Oc1cc(Cl)cc(Cl)c1[C@@H]1c2ccsc2CCN1Cc1cccnc1 963009358 MFRJUPUOWOEVLE-IBGZPJMESA-N 391.323 5.303 10 1 GKCF CCN1/C(=C/C(=C/c2sc3ccccc3[n+]2CC)NC)Sc2ccccc21 45289256 OFOMPYCCBXCYMC-STZFKDTASA-O 394.589 5.243 10 1 GKCF Cc1ccc(Cl)c2c(N=Nc3nnc4c(n3)[nH]c3c(C)cccc34)c(O)[nH]c12 617960133 UUXZZOWDCGMNNE-UHFFFAOYSA-N 391.822 5.379 10 1 GKCF C[C@]1(c2ccc(N3CCCC3)cc2)c2ccsc2CCN1Cc1ccco1 962705267 KWJPNGCSKHYCDF-QHCPKHFHSA-N 378.541 5.263 10 1 GKCF O=C(O)[C@H]1CCCN(CCC/C=C/c2cccc(/N=N/c3ccccc3)c2)C1 1857636609 YIZRPWOPJBMTNA-KWQJXHRJSA-N 377.488 5.692 10 1 GKCF CN(C)c1ccc(/C=C/c2cc(-c3ccccc3)n(-c3ccccc3)[n+]2C)cc1 5587222 JHXNCPGCDOLPQH-UHFFFAOYSA-N 380.515 5.205 10 1 GKCF CSc1cccc(-n2c(C)cc(-c3csc([C@H]4CCCOC4)n3)c2C)c1 587926287 WWQNZAZTRFTRLX-INIZCTEOSA-N 384.570 5.834 10 1 GKCF S=C1CCCC2=C1[C@H](c1cccc(Cl)c1)c1c(ccc3ccccc13)O2 103296357 HELXNPZFIJQRMB-OAQYLSRUSA-N 376.908 6.825 10 1 GKCF OC1=C2C(=Nc3nc4ccccc4n3[C@H]2c2ccccc2O)C[C@H](c2ccco2)C1 103530017 IQUHDCKURBELGM-PSLXWICFSA-N 397.434 5.400 10 1 GKCF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2ccc(O)c(O)c2O1 27627112 PKRSOMOWKPTVDB-VKVNSWABSA-N 398.587 7.381 10 1 GKCF Cc1c(CN2CCSCC2)cc(-c2ccccc2F)n1-c1ccccc1F 33816937 UTTIRJLRMJWOGK-UHFFFAOYSA-N 384.495 5.280 10 1 GKCF O=C(Oc1ccccc1)N1N=C(c2ccccc2O)C[C@H]1c1ccc(Cl)cc1 96937650 NUBQPTFUJLQVEB-FQEVSTJZSA-N 392.842 5.396 10 1 GKCF CCc1ccc(-c2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)cc1 587922250 MELJQGMFSRBMFS-UHFFFAOYSA-N 376.500 6.586 10 1 GKCF Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 13776370 BIFVAKUCWOQMRB-UHFFFAOYSA-N 399.324 5.226 10 1 GKCF C/C(=C\Cc1c([C@H]2CC(=O)c3ccc(O)cc3O2)ccc(O)c1O)CCC(C)C 15119965 XCUBCLPUFODHKK-AZWSXNEJSA-N 396.483 5.435 10 1 GKCF endogenous,in-man FC(F)(F)c1cc(/N=N\C2=C3CCCCN3CCC2)ccc1Br 40834989 WCMUEKDJFWJLTB-DQRAZIAOSA-N 388.231 6.043 10 1 GKCF CN1C(=O)/C(=C/c2c(Cl)n(C)c3c2ccc2ccccc23)c2cc(O)ccc21 58568408 MSOGXFRCBRYDCM-XDHOZWIPSA-N 388.854 5.208 10 1 GKCF COc1ccc(/C=C2\SC(c3ccc(Cl)cc3)=NC2=O)c2ccccc12 84757851 RLYZDXSSRNIPEN-UNOMPAQXSA-N 379.868 5.563 10 1 GKCF O=C1c2ccccc2C(=O)c2c1ccc1[nH]c(-c3ccc(C4CCC4)cc3)nc21 586880453 LEDLFWPZZBGVNI-UHFFFAOYSA-N 378.431 5.273 10 1 GKCF CC(C)Oc1ccc2[nH]c(-c3ccc(N=Nc4ccc(N(C)C)cc4)cc3)nc2c1 587196592 WIBVGMRAVRXCSQ-UHFFFAOYSA-N 399.498 6.499 10 1 GKCF O=c1oc2ccccc2cc1-c1csc(/N=N/Cc2ccccc2Cl)n1 169693504 SLWGYHXTPVHZFH-XTQSDGFTSA-N 381.844 5.854 10 1 GKCF Cc1ccc2nc(C)cc(/N=N/[C@@H](C)c3cn(C)n(-c4ccccc4)c3=O)c2c1 169693552 OFGWWKFMIXBUIT-OTXPQFFASA-N 385.471 5.186 10 1 GKCF CC(C)(C)c1cccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c12 587078465 RWEJRMGXGHVLOQ-MDOVXXIYSA-N 377.919 6.340 10 1 GKCF O=C(O)c1cc2c3c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(F)cc1)N3C[C@H]1CC=C[C@H]21 4126727 AZRBPQNKAPCMOS-UKFDBNNRSA-N 387.454 5.418 10 1 GKCF COc1cc2c(c3c1C[C@@H]1[C@@H]3[C@@H](c3ccc(O)c(O)c3)C1(C)C)C=CC(C)(C)O2 13373195 SXWKVOUWXXHZAC-UZFJHSOTSA-N 392.495 5.370 10 1 GKCF biogenic CCc1cc2ccccc2n1Cc1cc(CN2CCCC2)c(O)c2ncccc12 1857759645 DREVEXHECXAYIE-UHFFFAOYSA-N 385.511 5.102 10 1 GKCF CCCC[N+]1=C(/C=C/c2ccc(N(CC)CC)cc2)C(C)(C)c2ccccc21 95562749 ATGCAVIXOQXUGZ-UHFFFAOYSA-N 375.580 6.423 10 1 GKCF O=C(NCc1ccc(N2[C@H]3CCC[C@@H]2CC3)cc1)Nc1cccc2cnccc12 14973457 YDGZMSIQYPEYKM-BGYRXZFFSA-N 386.499 5.078 10 1 GKCF Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1cccc(F)c1 587504978 PFDICMWFUKYQHQ-XMMPIXPASA-N 389.470 5.819 10 1 GKCF Cc1cc(-c2csc(COCc3ccccc3)n2)c(C)n1-c1ccccc1F 587921834 BQGRZURBGJGVOV-UHFFFAOYSA-N 392.499 6.074 10 1 GKCF CN1c2ccc(Cl)cc2[C@]2(C)c3c[nH]cc3-c3c([nH]c4ccc(Cl)cc34)[C@@H]12 2356712703 LDQFIYNIQYYGSV-FGZHOGPDSA-N 394.305 6.280 10 1 GKCF O=C(O)c1ccc(/N=N/Cc2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 169688596 CTFSHDDTDCEUCC-QURGRASLSA-N 375.211 6.236 10 1 GKCF COc1cc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2cc1OC 587078456 RPZQZEWKKYDMGR-RDXCRGQUSA-N 381.863 5.060 10 1 GKCF CCN(CC)c1ccc([C@H]2c3cccc(F)c3CCN2[C@H]2CCSC2)c(C)c1 962722948 ZDSNOJXCWATUFZ-CYFREDJKSA-N 398.591 5.433 10 1 GKCF CC1=CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1COC(=O)C=Cc1ccc(O)c(O)c1 2356601095 JHEQNYHKAUVOSF-JLGINSKQSA-N 384.516 5.453 10 1 GKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C(C)(C)C)cc2O)N1 587824231 YZVSDHDYCGBFKV-WYRIXSBYSA-N 392.312 5.215 10 1 GKCF O=C(O)c1ccc(/N=N/Cc2ccc(OC(=O)c3ccccc3Cl)cc2)cc1 169689458 WCAUTBWNNLBBRP-WCWDXBQESA-N 394.814 5.541 10 1 GKCF Clc1ccc(C[n+]2ccc(Cn3c4c(c5ccccc53)CCCC4)cc2)cc1 1857537127 TWPAVMKAXYPREP-UHFFFAOYSA-N 387.934 5.558 10 1 GKCF